#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kkk s THR 3 N 0.00 0.84 0.15 12.58 2.01 -1.26 -3.86 115.64 126.10 3kkk s THR 3 Ca 0.00 -0.26 0.04 0.00 0.31 0.00 0.00 61.69 61.78 3kkk s THR 3 Cb 0.00 -0.84 -0.04 0.00 0.01 0.00 0.00 72.50 71.64 3kkk s THR 3 CO 0.00 0.31 0.13 -0.31 -0.69 0.00 0.00 174.62 174.06 3kkk s TYR 4 N 1.09 3.17 -0.13 4.92 2.02 0.02 -4.94 117.35 123.50 3kkk s TYR 4 Ca -0.07 0.01 0.02 0.00 -0.37 0.00 0.00 57.07 56.65 3kkk s TYR 4 Cb -0.14 -1.54 0.01 0.00 -0.40 0.00 0.00 41.96 39.89 3kkk s TYR 4 CO -0.01 0.52 -0.19 0.99 -1.57 0.00 0.00 175.55 175.29 3kkk s THR 5 N -1.68 1.85 -0.08 -0.71 2.01 -1.26 -1.11 115.64 114.66 3kkk s THR 5 Ca 0.31 -0.85 0.05 0.00 0.31 0.00 0.00 61.69 61.50 3kkk s THR 5 Cb -0.11 -1.66 -0.01 0.00 0.01 0.00 0.00 72.50 70.74 3kkk s THR 5 CO 0.23 0.51 -0.22 -0.22 -0.69 0.00 0.00 174.62 174.23 3kkk s LEU 6 N 0.92 2.22 -0.16 4.42 2.96 0.17 -4.17 118.68 125.05 3kkk s LEU 6 Ca -0.06 -0.47 -0.00 0.00 -0.22 0.00 0.00 54.13 53.38 3kkk s LEU 6 Cb -0.15 -1.43 -0.00 0.00 0.50 0.00 0.00 46.19 45.11 3kkk s LEU 6 CO -0.03 0.22 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.39 3kkk s VAL 7 N -0.03 2.73 -0.02 1.68 1.01 -0.88 -0.07 120.40 124.82 3kkk s VAL 7 Ca -0.07 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.18 3kkk s VAL 7 Cb -0.15 -2.16 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 3kkk s VAL 7 CO 0.05 0.51 -0.03 -0.76 0.00 0.00 0.00 175.10 174.87 3kkk s LEU 8 N 0.82 3.39 -0.07 3.92 1.43 0.74 -0.19 118.68 128.72 3kkk s LEU 8 Ca -0.05 -0.02 -0.03 0.00 -1.03 0.00 0.00 54.13 53.00 3kkk s LEU 8 Cb -0.15 -1.89 0.04 0.00 0.03 0.00 0.00 46.19 44.22 3kkk s LEU 8 CO -0.00 0.31 0.16 -0.22 0.23 0.00 0.00 176.35 176.82 3kkk s LEU 9 N -1.32 0.56 -0.13 1.79 2.96 0.19 0.03 118.68 122.76 3kkk s LEU 9 Ca 0.17 0.33 -0.14 0.00 -0.22 0.00 0.00 54.13 54.27 3kkk s LEU 9 Cb -0.11 0.39 -0.05 0.00 0.50 0.00 0.00 46.19 46.92 3kkk s LEU 9 CO 0.07 -0.17 0.31 -0.60 -1.32 0.00 0.00 176.35 174.65 3kkk s ARG 10 N 1.36 4.14 0.83 1.98 3.52 -1.26 -1.28 118.95 128.25 3kkk s ARG 10 Ca -0.07 0.15 -0.11 0.00 -0.13 0.00 0.00 55.73 55.57 3kkk s ARG 10 Cb -0.12 -3.38 0.10 0.00 -1.56 0.00 0.00 34.95 29.99 3kkk s ARG 10 CO -0.06 0.35 1.13 -3.38 -0.81 0.00 0.00 175.30 172.53 3kkk s HIS 11 N 0.12 2.04 0.00 5.12 -3.43 -0.91 -0.64 115.29 117.58 3kkk s HIS 11 Ca 0.18 1.68 0.00 0.00 -0.80 0.00 0.00 55.06 56.12 3kkk s HIS 11 Cb -0.14 -3.26 0.00 0.00 -1.43 0.00 0.00 32.58 27.76 3kkk s HIS 11 CO 0.06 -2.40 0.00 0.41 -2.00 0.00 0.00 174.74 170.81 3kkk n GLY 12 N -0.27 -0.10 3.76 -1.38 0.00 -1.26 -4.39 105.19 101.55 3kkk n GLY 12 Ca 0.11 -1.76 -0.39 0.00 0.00 0.00 0.00 46.02 43.98 3kkk n GLY 12 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kkk s GLU 13 N -0.38 3.54 0.44 1.61 2.12 -1.26 -4.89 118.70 119.88 3kkk s GLU 13 Ca 0.00 2.26 0.07 0.00 0.36 0.00 0.00 54.97 57.66 3kkk s GLU 13 Cb 0.00 -2.51 -0.03 0.00 0.26 0.00 0.00 34.13 31.85 3kkk s GLU 13 CO 0.00 -0.87 0.27 -1.54 -0.54 0.00 0.00 175.26 172.58 3kkk s SER 14 N -0.77 4.63 0.44 -1.70 1.04 -1.26 -1.70 113.70 114.38 3kkk s SER 14 Ca 0.64 -1.03 0.20 0.00 0.48 0.00 0.00 55.95 56.25 3kkk s SER 14 Cb -0.40 -0.33 1.03 0.00 0.10 0.00 0.00 66.02 66.42 3kkk s SER 14 CO 0.50 -0.68 1.92 0.71 0.98 0.00 0.00 173.24 176.68 3kkk h THR 15 N 1.19 0.88 0.00 2.02 1.35 -1.70 -2.97 112.91 113.70 3kkk h THR 15 Ca -0.41 -0.95 -0.11 0.00 -0.55 0.00 0.00 66.41 64.39 3kkk h THR 15 Cb 1.27 1.56 -0.02 0.00 -1.73 0.00 0.00 68.15 69.23 3kkk h THR 15 CO 0.64 0.24 -0.75 -0.50 -0.25 0.00 0.00 175.52 174.91 3kkk h TRP 16 N 0.00 0.00 -0.58 4.73 4.06 -1.92 -2.76 115.95 119.48 3kkk h TRP 16 Ca -0.00 0.00 0.01 0.00 2.06 0.00 0.00 58.89 60.96 3kkk h TRP 16 Cb 0.54 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.67 3kkk h TRP 16 CO 0.00 0.46 0.39 -0.91 -3.56 0.00 0.00 178.44 174.82 3kkk h ASN 17 N 0.00 0.66 -0.23 -3.49 -0.26 -1.78 -0.62 115.58 109.87 3kkk h ASN 17 Ca -0.05 -0.02 -0.15 0.00 -0.56 0.00 0.00 56.30 55.53 3kkk h ASN 17 Cb 1.39 -0.16 0.00 0.00 -1.06 0.00 0.00 38.32 38.49 3kkk h ASN 17 CO 0.05 0.48 -0.45 0.11 -1.06 0.00 0.00 177.43 176.56 3kkk h LYS 18 N 0.78 0.71 -0.03 0.81 1.57 -1.52 -3.19 116.57 115.70 3kkk h LYS 18 Ca 0.22 -0.46 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 3kkk h LYS 18 Cb -0.08 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.29 3kkk h LYS 18 CO -0.05 1.08 0.00 0.39 -0.57 0.00 0.00 179.45 180.30 3kkk n GLU 19 N -4.16 1.24 -3.34 3.15 1.02 -1.05 -4.94 120.64 112.56 3kkk n GLU 19 Ca -0.05 -0.36 -0.16 0.00 -0.02 0.00 0.00 57.16 56.56 3kkk n GLU 19 Cb 0.57 -1.41 0.08 0.00 -0.02 0.00 0.00 31.44 30.66 3kkk n GLU 19 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3kkk n ASN 20 N -0.49 -2.65 -4.31 1.62 5.15 -0.30 -4.86 115.26 109.42 3kkk n ASN 20 Ca 0.18 -0.60 -0.27 0.00 -0.60 0.00 0.00 54.58 53.29 3kkk n ASN 20 Cb 0.18 -4.93 -0.14 0.00 -0.53 0.00 0.00 39.78 34.36 3kkk n ASN 20 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3kkk s LYS 21 N -5.16 1.44 0.12 1.20 1.02 -0.84 -1.03 119.74 116.50 3kkk s LYS 21 Ca 0.06 -1.12 -0.31 0.00 0.02 0.00 0.00 55.97 54.62 3kkk s LYS 21 Cb -0.01 -1.69 -0.08 0.00 -0.52 0.00 0.00 37.83 35.53 3kkk s LYS 21 CO 0.70 0.42 1.41 -0.06 -0.92 0.00 0.00 175.35 176.90 3kkk s PHE 22 N -0.94 3.22 -0.09 3.18 0.08 -1.05 -4.62 117.98 117.76 3kkk s PHE 22 Ca 0.10 0.92 -0.09 0.00 0.12 0.00 0.00 56.93 57.97 3kkk s PHE 22 Cb -0.10 -3.71 -0.03 0.00 -0.57 0.00 0.00 43.02 38.61 3kkk s PHE 22 CO 0.03 -2.51 -0.18 2.41 -0.10 0.00 0.00 175.22 174.88 3kkk n THR 23 N 3.93 0.79 -2.42 0.64 -1.04 -1.26 -1.68 114.28 113.23 3kkk n THR 23 Ca 0.12 0.31 0.00 0.00 -2.04 0.00 0.00 64.05 62.43 3kkk n THR 23 Cb 0.42 -1.93 0.00 0.00 -1.82 0.00 0.00 70.33 67.00 3kkk n THR 23 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kkk n GLY 24 N 1.56 3.26 0.00 3.41 0.00 -1.26 -2.09 105.19 110.06 3kkk n GLY 24 Ca -0.07 -0.23 0.12 0.00 0.00 0.00 0.00 46.02 45.84 3kkk n GLY 24 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3kkk n TRP 25 N 14.00 0.00 -1.67 1.61 7.02 -1.26 -4.78 117.44 132.36 3kkk n TRP 25 Ca 0.00 0.00 -0.46 0.00 -1.02 0.00 0.00 57.50 56.02 3kkk n TRP 25 Cb 0.00 -0.24 -0.03 0.00 -2.42 0.00 0.00 31.31 28.61 3kkk n TRP 25 CO 0.00 0.00 0.00 2.41 -2.02 0.00 0.00 177.69 178.08 3kkk n THR 26 N -1.24 0.45 -2.49 -0.99 -1.04 -0.89 -4.85 114.28 103.23 3kkk n THR 26 Ca 0.12 -0.11 -0.42 0.00 -2.04 0.00 0.00 64.05 61.60 3kkk n THR 26 Cb 0.17 -1.49 0.01 0.00 -1.82 0.00 0.00 70.33 67.20 3kkk n THR 26 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 3kkk n ASP 27 N 2.78 6.49 -4.86 8.00 2.03 -1.26 -4.99 116.55 124.74 3kkk n ASP 27 Ca 0.14 -3.29 -0.33 0.00 0.52 0.00 0.00 54.79 51.83 3kkk n ASP 27 Cb 0.30 -1.35 -0.06 0.00 -0.72 0.00 0.00 41.12 39.29 3kkk n ASP 27 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3kkk s VAL 28 N -1.59 4.79 0.72 5.18 -7.23 -1.26 -4.82 120.40 116.19 3kkk s VAL 28 Ca 0.40 0.77 -0.11 0.00 -1.81 0.00 0.00 61.98 61.23 3kkk s VAL 28 Cb 0.12 -3.64 0.02 0.00 0.56 0.00 0.00 36.38 33.44 3kkk s VAL 28 CO -0.01 -0.08 1.08 -2.16 -0.31 0.00 0.00 175.10 173.62 3kkk s PRO 29 N -2.76 2.76 0.54 4.82 0.04 -1.26 -4.04 135.00 135.09 3kkk s PRO 29 Ca 0.49 0.66 -0.21 0.00 0.04 0.00 0.00 61.00 61.98 3kkk s PRO 29 Cb -0.11 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.38 3kkk s PRO 29 CO 0.19 -1.15 1.23 -0.51 0.04 0.00 0.00 177.00 176.80 3kkk s LEU 30 N -5.49 3.83 0.91 -3.56 1.43 -1.26 -2.18 118.68 112.35 3kkk s LEU 30 Ca 0.58 2.44 -0.13 0.00 -1.03 0.00 0.00 54.13 56.00 3kkk s LEU 30 Cb -0.13 -4.40 0.14 0.00 0.03 0.00 0.00 46.19 41.83 3kkk s LEU 30 CO 0.54 -1.35 1.17 -0.94 0.23 0.00 0.00 176.35 176.00 3kkk s SER 31 N -1.37 3.56 0.26 2.29 1.04 -0.69 -4.63 113.70 114.16 3kkk s SER 31 Ca 0.71 0.81 -0.03 0.00 0.48 0.00 0.00 55.95 57.93 3kkk s SER 31 Cb -0.32 -1.28 0.45 0.00 0.10 0.00 0.00 66.02 64.96 3kkk s SER 31 CO 0.37 -2.50 1.82 -0.33 0.98 0.00 0.00 173.24 173.57 3kkk h GLU 32 N -1.47 0.83 -0.65 4.02 5.08 -1.97 -0.22 114.58 120.22 3kkk h GLU 32 Ca -0.48 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 57.79 3kkk h GLU 32 Cb 1.32 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 30.35 3kkk h GLU 32 CO 0.58 0.55 0.24 -0.22 -1.00 0.00 0.00 179.01 179.17 3kkk h LYS 33 N 0.86 0.95 -0.49 2.33 3.64 -1.93 -0.96 116.57 120.97 3kkk h LYS 33 Ca 0.43 -0.16 -0.08 0.00 -1.27 0.00 0.00 60.65 59.57 3kkk h LYS 33 Cb 0.40 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 3kkk h LYS 33 CO -0.25 0.79 -0.02 0.78 -2.27 0.00 0.00 179.45 178.48 3kkk h GLY 34 N 1.03 0.91 0.90 5.01 0.00 -1.22 -1.46 103.07 108.23 3kkk h GLY 34 Ca 0.22 -0.63 -0.02 0.00 0.00 0.00 0.00 47.33 46.90 3kkk h GLY 34 CO -0.02 0.58 0.09 0.83 0.00 0.00 0.00 176.54 178.02 3kkk h GLU 35 N 0.78 0.44 -0.33 4.80 5.08 -0.87 -3.04 114.58 121.44 3kkk h GLU 35 Ca 0.15 -0.10 0.08 0.00 -1.00 0.00 0.00 59.36 58.49 3kkk h GLU 35 Cb 0.50 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 3kkk h GLU 35 CO 0.02 0.51 0.23 0.93 -1.00 0.00 0.00 179.01 179.70 3kkk h GLU 36 N 0.30 0.09 -0.12 2.33 5.08 -0.78 -2.29 114.58 119.18 3kkk h GLU 36 Ca 0.09 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.34 3kkk h GLU 36 Cb 0.25 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3kkk h GLU 36 CO -0.00 0.06 -0.33 0.93 -1.00 0.00 0.00 179.01 178.67 3kkk h GLU 37 N 0.09 0.44 -0.84 2.33 5.08 -1.18 -2.13 114.58 118.36 3kkk h GLU 37 Ca 0.15 -0.31 0.02 0.00 -1.00 0.00 0.00 59.36 58.22 3kkk h GLU 37 Cb 0.49 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.74 3kkk h GLU 37 CO -0.01 0.92 0.55 0.00 -1.00 0.00 0.00 179.01 179.47 3kkk h ALA 38 N 0.51 1.08 -0.33 3.43 0.00 -1.36 0.19 119.26 122.80 3kkk h ALA 38 Ca -0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3kkk h ALA 38 Cb 0.94 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3kkk h ALA 38 CO 0.07 0.43 0.20 0.82 0.00 0.00 0.00 179.25 180.77 3kkk h ILE 39 N 1.10 1.11 -0.65 0.00 2.04 -1.44 -1.04 117.51 118.63 3kkk h ILE 39 Ca 0.32 -0.25 -0.06 0.00 1.00 0.00 0.00 64.86 65.87 3kkk h ILE 39 Cb -0.07 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 3kkk h ILE 39 CO -0.09 0.11 0.18 0.00 0.00 0.00 0.00 178.15 178.35 3kkk h ALA 40 N 1.08 1.09 -0.76 1.87 0.00 -0.89 -1.59 119.26 120.06 3kkk h ALA 40 Ca 0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3kkk h ALA 40 Cb 0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 3kkk h ALA 40 CO -0.02 0.61 0.45 0.00 0.00 0.00 0.00 179.25 180.29 3kkk h ALA 41 N 1.23 0.97 -0.37 0.00 0.00 -0.41 -2.60 119.26 118.08 3kkk h ALA 41 Ca 0.21 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3kkk h ALA 41 Cb 0.31 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3kkk h ALA 41 CO -0.00 0.46 0.08 0.78 0.00 0.00 0.00 179.25 180.56 3kkk h GLY 42 N 1.05 0.58 0.83 0.00 0.00 -0.55 -2.55 103.07 102.42 3kkk h GLY 42 Ca 0.27 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 3kkk h GLY 42 CO -0.05 0.28 -0.08 0.50 0.00 0.00 0.00 176.54 177.19 3kkk h LYS 43 N 0.53 -0.22 -0.99 4.80 1.57 -0.99 -1.77 116.57 119.50 3kkk h LYS 43 Ca 0.12 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 59.00 3kkk h LYS 43 Cb 0.21 0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.50 3kkk h LYS 43 CO -0.00 -0.01 0.63 1.88 -0.57 0.00 0.00 179.45 181.38 3kkk h TYR 44 N -0.40 1.16 -0.35 -1.35 0.05 -1.27 0.64 116.97 115.45 3kkk h TYR 44 Ca -0.02 0.03 -0.16 0.00 0.05 0.00 0.00 58.73 58.62 3kkk h TYR 44 Cb 0.31 -0.38 -0.00 0.00 1.01 0.00 0.00 36.73 37.67 3kkk h TYR 44 CO -0.01 0.56 -0.43 -0.07 -1.05 0.00 0.00 178.16 177.16 3kkk h LEU 45 N 1.10 0.96 -0.24 3.88 3.38 -1.46 -2.47 115.31 120.46 3kkk h LEU 45 Ca 0.45 -0.46 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3kkk h LEU 45 Cb 0.26 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3kkk h LEU 45 CO -0.20 1.25 -0.00 0.50 0.09 0.00 0.00 178.44 180.08 3kkk h LYS 46 N 0.72 0.43 -0.45 1.13 3.64 -0.35 0.11 116.57 121.79 3kkk h LYS 46 Ca 0.05 -0.14 0.07 0.00 -1.27 0.00 0.00 60.65 59.36 3kkk h LYS 46 Cb 1.02 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.78 3kkk h LYS 46 CO 0.10 0.60 0.31 0.93 -2.27 0.00 0.00 179.45 179.12 3kkk h GLU 47 N 0.20 0.33 -0.45 1.90 5.08 0.27 0.33 114.58 122.23 3kkk h GLU 47 Ca 0.07 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3kkk h GLU 47 Cb 0.41 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3kkk h GLU 47 CO 0.01 0.22 0.00 1.63 -1.00 0.00 0.00 179.01 179.87 3kkk n LYS 48 N -4.47 2.31 -3.20 2.33 4.76 -0.93 -4.97 118.16 113.99 3kkk n LYS 48 Ca 0.06 -2.01 -0.23 0.00 -2.87 0.00 0.00 58.31 53.26 3kkk n LYS 48 Cb 0.28 -1.47 0.04 0.00 -1.84 0.00 0.00 35.03 32.04 3kkk n LYS 48 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3kkk n ASN 49 N 1.18 -5.83 -4.72 4.39 3.02 0.10 -4.97 115.26 108.43 3kkk n ASN 49 Ca 0.19 -0.36 -0.42 0.00 -0.03 0.00 0.00 54.58 53.96 3kkk n ASN 49 Cb 0.51 -4.69 -0.03 0.00 -0.61 0.00 0.00 39.78 34.96 3kkk n ASN 49 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3kkk s PHE 50 N -3.18 3.23 0.25 3.10 0.08 0.31 -5.01 117.98 116.76 3kkk s PHE 50 Ca 0.38 1.03 0.11 0.00 0.12 0.00 0.00 56.93 58.56 3kkk s PHE 50 Cb -0.17 -3.67 -0.05 0.00 -0.57 0.00 0.00 43.02 38.56 3kkk s PHE 50 CO 0.47 -2.28 -0.12 0.15 -0.10 0.00 0.00 175.22 173.34 3kkk s LYS 51 N 0.66 1.92 0.01 0.44 -0.14 -1.26 -4.69 119.74 116.68 3kkk s LYS 51 Ca 0.62 -1.54 0.02 0.00 -1.36 0.00 0.00 55.97 53.71 3kkk s LYS 51 Cb -0.37 -1.97 -0.01 0.00 -1.68 0.00 0.00 37.83 33.80 3kkk s LYS 51 CO 0.33 0.37 -0.06 -0.06 -0.76 0.00 0.00 175.35 175.17 3kkk s PHE 52 N -2.21 0.50 -0.50 3.18 0.08 -1.26 -4.83 117.98 112.93 3kkk s PHE 52 Ca 0.28 -0.19 0.22 0.00 0.12 0.00 0.00 56.93 57.36 3kkk s PHE 52 Cb -0.06 -0.32 -0.21 0.00 -0.57 0.00 0.00 43.02 41.86 3kkk s PHE 52 CO 0.16 -0.03 0.76 -0.25 -0.10 0.00 0.00 175.22 175.76 3kkk n ASP 53 N 2.57 0.50 -3.60 1.36 8.00 0.39 -4.89 116.55 120.88 3kkk n ASP 53 Ca -0.15 -0.39 -0.14 0.00 0.71 0.00 0.00 54.79 54.81 3kkk n ASP 53 Cb 0.57 1.35 -0.07 0.00 -0.02 0.00 0.00 41.12 42.96 3kkk n ASP 53 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3kkk s VAL 54 N -3.26 0.00 -0.14 2.53 0.11 -1.16 -4.34 120.40 114.13 3kkk s VAL 54 Ca 0.00 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.08 3kkk s VAL 54 Cb 0.15 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 34.00 3kkk s VAL 54 CO 0.87 0.00 -0.21 -0.69 -3.33 0.00 0.00 175.10 171.74 3kkk s VAL 55 N -0.19 2.18 -0.09 2.04 1.01 -0.34 -2.35 120.40 122.66 3kkk s VAL 55 Ca -0.03 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 60.97 3kkk s VAL 55 Cb -0.03 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 3kkk s VAL 55 CO 0.03 0.55 0.06 -0.31 0.00 0.00 0.00 175.10 175.42 3kkk s TYR 56 N 0.74 3.33 0.36 5.22 2.02 -0.24 -0.53 117.35 128.24 3kkk s TYR 56 Ca -0.09 0.31 -0.06 0.00 -0.37 0.00 0.00 57.07 56.87 3kkk s TYR 56 Cb -0.16 -1.84 0.02 0.00 -0.40 0.00 0.00 41.96 39.58 3kkk s TYR 56 CO 0.00 0.57 0.56 -0.08 -1.57 0.00 0.00 175.55 175.04 3kkk s THR 57 N -0.97 0.00 0.32 -0.71 -1.32 -0.25 -1.00 115.64 111.71 3kkk s THR 57 Ca 0.15 -1.44 -0.05 0.00 -1.21 0.00 0.00 61.69 59.14 3kkk s THR 57 Cb -0.12 -2.71 0.07 0.00 -1.51 0.00 0.00 72.50 68.23 3kkk s THR 57 CO 0.04 0.00 0.44 -1.54 -2.21 0.00 0.00 174.62 171.35 3kkk n SER 58 N -1.44 0.11 -1.53 8.08 3.41 -1.25 -1.26 113.62 119.74 3kkk n SER 58 Ca -0.01 -1.20 0.10 0.00 -0.26 0.00 0.00 58.87 57.50 3kkk n SER 58 Cb 0.61 -0.33 0.35 0.00 -0.26 0.00 0.00 64.21 64.58 3kkk n SER 58 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3kkk n VAL 59 N -2.50 1.54 -3.63 -3.33 0.24 -1.21 -3.99 118.33 105.44 3kkk n VAL 59 Ca 0.06 -1.13 -0.36 0.00 -2.04 0.00 0.00 64.34 60.87 3kkk n VAL 59 Cb 0.20 0.27 -0.08 0.00 -1.47 0.00 0.00 33.84 32.75 3kkk n VAL 59 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3kkk s LEU 60 N -1.54 4.18 0.38 1.34 1.43 -1.26 -4.99 118.68 118.22 3kkk s LEU 60 Ca 0.51 0.28 0.13 0.00 -1.03 0.00 0.00 54.13 54.02 3kkk s LEU 60 Cb 0.31 -2.20 0.94 0.00 0.03 0.00 0.00 46.19 45.26 3kkk s LEU 60 CO 0.28 0.10 1.84 0.07 0.23 0.00 0.00 176.35 178.87 3kkk h LYS 61 N 7.03 0.55 -0.22 1.70 2.10 -1.87 -0.46 116.57 125.39 3kkk h LYS 61 Ca -0.39 -0.03 -0.03 0.00 -2.00 0.00 0.00 60.65 58.19 3kkk h LYS 61 Cb 1.16 -0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 32.35 3kkk h LYS 61 CO 0.72 0.36 -0.00 0.07 -2.00 0.00 0.00 179.45 178.60 3kkk h ARG 62 N 0.56 0.32 0.10 0.07 0.11 -1.92 0.51 114.38 114.13 3kkk h ARG 62 Ca 0.49 -0.05 -0.16 0.00 0.10 0.00 0.00 59.98 60.35 3kkk h ARG 62 Cb 0.99 -0.06 0.02 0.00 1.11 0.00 0.00 29.97 32.03 3kkk h ARG 62 CO -0.23 0.35 -0.69 0.00 0.10 0.00 0.00 179.97 179.50 3kkk h ALA 63 N 1.69 -0.06 -0.47 0.08 0.00 -1.45 -3.18 119.26 115.86 3kkk h ALA 63 Ca 0.07 -0.65 0.01 0.00 0.00 0.00 0.00 54.91 54.34 3kkk h ALA 63 Cb 0.22 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3kkk h ALA 63 CO 0.01 0.33 0.31 0.82 0.00 0.00 0.00 179.25 180.71 3kkk h ILE 64 N -0.39 1.10 -0.11 0.00 2.04 -0.71 -1.45 117.51 117.99 3kkk h ILE 64 Ca -0.12 -0.21 -0.06 0.00 1.00 0.00 0.00 64.86 65.47 3kkk h ILE 64 Cb 1.52 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 38.01 3kkk h ILE 64 CO 0.13 0.11 -0.21 0.00 0.00 0.00 0.00 178.15 178.18 3kkk h THR 66 N 0.18 1.17 -0.56 0.00 2.02 -1.34 -0.63 112.91 113.74 3kkk h THR 66 Ca 0.03 -0.50 0.10 0.00 0.77 0.00 0.00 66.41 66.81 3kkk h THR 66 Cb 0.48 1.45 -0.08 0.00 -1.74 0.00 0.00 68.15 68.27 3kkk h THR 66 CO 0.03 0.13 0.14 0.00 0.37 0.00 0.00 175.52 176.20 3kkk h ALA 67 N 0.81 0.67 -0.01 6.16 0.00 -0.86 -1.26 119.26 124.77 3kkk h ALA 67 Ca 0.01 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3kkk h ALA 67 Cb 0.21 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3kkk h ALA 67 CO -0.00 -0.28 0.01 -1.49 0.00 0.00 0.00 179.25 177.49 3kkk h TRP 68 N 0.29 0.01 -0.42 0.00 4.06 -0.90 -2.21 115.95 116.79 3kkk h TRP 68 Ca 0.29 -0.00 -0.02 0.00 2.06 0.00 0.00 58.89 61.22 3kkk h TRP 68 Cb 0.39 -0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.53 3kkk h TRP 68 CO -0.22 0.06 0.19 -0.91 -3.56 0.00 0.00 178.44 174.00 3kkk h ASN 69 N -0.04 0.52 0.00 -3.49 2.35 -0.84 -0.34 115.58 113.75 3kkk h ASN 69 Ca 0.00 -0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.71 3kkk h ASN 69 Cb 0.05 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.29 3kkk h ASN 69 CO -0.00 0.46 -0.00 0.58 -1.65 0.00 0.00 177.43 176.82 3kkk h VAL 70 N 0.59 1.17 -0.62 2.81 2.07 -1.10 -1.34 116.25 119.83 3kkk h VAL 70 Ca 0.15 -0.50 -0.08 0.00 0.82 0.00 0.00 66.70 67.08 3kkk h VAL 70 Cb 0.08 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 3kkk h VAL 70 CO -0.02 0.13 0.07 -0.07 0.02 0.00 0.00 177.57 177.70 3kkk h LEU 71 N -0.21 1.00 0.08 2.57 3.38 -1.05 -0.29 115.31 120.77 3kkk h LEU 71 Ca -0.00 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 3kkk h LEU 71 Cb 0.21 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3kkk h LEU 71 CO 0.00 1.01 -0.04 0.50 0.09 0.00 0.00 178.44 180.00 3kkk h LYS 72 N 0.96 -0.10 -0.60 1.13 3.64 -1.08 0.85 116.57 121.37 3kkk h LYS 72 Ca 0.19 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.55 3kkk h LYS 72 Cb 0.46 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 3kkk h LYS 72 CO 0.02 0.13 0.25 1.15 -2.27 0.00 0.00 179.45 178.73 3kkk h THR 73 N -0.32 1.21 -0.00 1.00 2.02 -1.14 -2.66 112.91 113.01 3kkk h THR 73 Ca -0.01 -0.63 0.00 0.00 0.77 0.00 0.00 66.41 66.54 3kkk h THR 73 Cb 0.27 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 3kkk h THR 73 CO 0.02 0.25 -0.16 0.00 0.37 0.00 0.00 175.52 176.00 3kkk n ALA 74 N -2.45 2.84 -3.12 6.16 0.00 -0.13 -4.83 120.51 118.99 3kkk n ALA 74 Ca 0.05 -0.29 -0.14 0.00 0.00 0.00 0.00 53.44 53.06 3kkk n ALA 74 Cb 0.15 -1.29 0.06 0.00 0.00 0.00 0.00 19.45 18.37 3kkk n ALA 74 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3kkk n ASP 75 N -0.96 -3.81 -2.42 0.00 2.03 -0.39 -4.94 116.55 106.06 3kkk n ASP 75 Ca 0.13 -0.38 -0.17 0.00 0.52 0.00 0.00 54.79 54.89 3kkk n ASP 75 Cb 0.30 -3.54 0.02 0.00 -0.72 0.00 0.00 41.12 37.18 3kkk n ASP 75 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3kkk n LEU 76 N -3.34 3.54 0.24 -2.67 4.77 0.15 -4.90 117.00 114.79 3kkk n LEU 76 Ca -0.07 -4.29 0.11 0.00 -0.03 0.00 0.00 56.01 51.73 3kkk n LEU 76 Cb 0.57 -0.05 0.56 0.00 -2.33 0.00 0.00 43.42 42.17 3kkk n LEU 76 CO 0.42 1.80 0.87 -0.07 -1.33 0.00 0.00 177.39 179.08 3kkk h LEU 77 N 2.51 0.00 -0.77 2.23 3.38 -1.93 -2.64 115.31 118.09 3kkk h LEU 77 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3kkk h LEU 77 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 3kkk h LEU 77 CO 0.60 0.19 0.00 0.00 0.09 0.00 0.00 178.44 179.32 3kkk n HIS 78 N -3.48 0.77 -2.19 1.13 1.44 -1.26 -4.82 115.22 106.81 3kkk n HIS 78 Ca -0.01 0.32 -0.42 0.00 -2.01 0.00 0.00 57.72 55.60 3kkk n HIS 78 Cb 0.36 -1.01 -0.03 0.00 0.12 0.00 0.00 29.99 29.43 3kkk n HIS 78 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 3kkk s VAL 79 N -3.34 3.33 0.34 0.61 1.01 -1.00 -4.96 120.40 116.40 3kkk s VAL 79 Ca 0.03 0.97 -0.29 0.00 0.00 0.00 0.00 61.98 62.69 3kkk s VAL 79 Cb 0.09 -3.62 -0.10 0.00 0.00 0.00 0.00 36.38 32.74 3kkk s VAL 79 CO 0.36 0.08 1.34 -2.16 0.00 0.00 0.00 175.10 174.73 3kkk s PRO 80 N 0.99 4.30 -0.19 2.72 0.04 -1.26 -4.84 135.00 136.76 3kkk s PRO 80 Ca 0.64 2.29 -0.02 0.00 0.04 0.00 0.00 61.00 63.95 3kkk s PRO 80 Cb -0.36 -3.05 -0.01 0.00 0.04 0.00 0.00 34.50 31.12 3kkk s PRO 80 CO 0.31 -0.26 -0.10 0.08 0.04 0.00 0.00 177.00 177.07 3kkk s VAL 81 N -1.13 3.05 -0.17 -0.36 1.01 -1.26 -1.20 120.40 120.35 3kkk s VAL 81 Ca 0.50 -0.62 -0.02 0.00 0.00 0.00 0.00 61.98 61.83 3kkk s VAL 81 Cb -0.41 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.61 3kkk s VAL 81 CO 0.55 0.47 -0.08 -0.69 0.00 0.00 0.00 175.10 175.36 3kkk s VAL 82 N 1.10 3.36 -0.15 2.92 1.01 0.31 -4.99 120.40 123.96 3kkk s VAL 82 Ca 0.01 -0.53 -0.02 0.00 0.00 0.00 0.00 61.98 61.44 3kkk s VAL 82 Cb -0.15 -2.47 -0.02 0.00 0.00 0.00 0.00 36.38 33.75 3kkk s VAL 82 CO -0.02 0.48 -0.09 -0.54 0.00 0.00 0.00 175.10 174.93 3kkk s LYS 83 N 0.74 3.47 -0.01 2.72 1.02 -1.26 -1.09 119.74 125.33 3kkk s LYS 83 Ca -0.03 -0.63 -0.01 0.00 0.02 0.00 0.00 55.97 55.32 3kkk s LYS 83 Cb -0.15 -2.75 0.01 0.00 -0.52 0.00 0.00 37.83 34.41 3kkk s LYS 83 CO 0.02 0.19 0.02 -0.08 -0.92 0.00 0.00 175.35 174.58 3kkk s THR 84 N 0.45 -0.01 0.43 2.17 -1.32 -0.39 -4.85 115.64 112.13 3kkk s THR 84 Ca -0.07 0.03 0.30 0.00 -1.21 0.00 0.00 61.69 60.73 3kkk s THR 84 Cb -0.15 -0.05 0.32 0.00 -1.51 0.00 0.00 72.50 71.11 3kkk s THR 84 CO 0.04 0.01 2.11 4.11 -2.21 0.00 0.00 174.62 178.69 3kkk h TRP 85 N 6.26 0.00 0.00 9.09 5.08 -1.90 -2.80 115.95 131.68 3kkk h TRP 85 Ca -0.27 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.70 3kkk h TRP 85 Cb 1.20 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.36 3kkk h TRP 85 CO 0.42 0.09 -0.01 0.00 -1.28 0.00 0.00 178.44 177.66 3kkk h ARG 86 N 0.00 0.00 -0.60 0.12 3.08 -1.94 -0.97 114.38 114.07 3kkk h ARG 86 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kkk h ARG 86 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3kkk h ARG 86 CO 0.01 0.01 0.00 1.28 -1.07 0.00 0.00 179.97 180.20 3kkk n LEU 87 N -3.14 3.52 -4.71 3.04 4.77 -1.06 -3.92 117.00 115.50 3kkk n LEU 87 Ca -0.02 -1.71 -0.35 0.00 -0.03 0.00 0.00 56.01 53.90 3kkk n LEU 87 Cb 0.16 -0.40 0.10 0.00 -2.33 0.00 0.00 43.42 40.95 3kkk n LEU 87 CO 0.23 0.85 0.84 0.59 -1.33 0.00 0.00 177.39 178.57 3kkk n ASN 88 N 1.45 1.58 -4.50 -1.43 4.13 -0.37 -4.41 115.26 111.71 3kkk n ASN 88 Ca 0.22 0.71 -0.36 0.00 1.68 0.00 0.00 54.58 56.84 3kkk n ASN 88 Cb 0.57 -1.53 0.08 0.00 -1.54 0.00 0.00 39.78 37.36 3kkk n ASN 88 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 3kkk n GLU 89 N -2.56 0.27 -1.69 3.52 4.07 -1.26 -4.50 120.64 118.49 3kkk n GLU 89 Ca 0.15 0.14 -0.45 0.00 -0.06 0.00 0.00 57.16 56.94 3kkk n GLU 89 Cb 0.49 -1.95 -0.03 0.00 -0.06 0.00 0.00 31.44 29.89 3kkk n GLU 89 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 3kkk n ARG 90 N -1.23 2.31 -2.34 5.31 0.63 -1.26 -4.63 116.66 115.44 3kkk n ARG 90 Ca 0.10 0.83 -0.41 0.00 -0.92 0.00 0.00 57.85 57.45 3kkk n ARG 90 Cb 0.50 -2.60 -0.03 0.00 0.45 0.00 0.00 32.46 30.78 3kkk n ARG 90 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 3kkk s HIS 91 N 0.71 3.39 -0.39 -0.14 5.65 -1.26 -4.29 115.29 118.96 3kkk s HIS 91 Ca 0.75 1.33 0.15 0.00 0.25 0.00 0.00 55.06 57.54 3kkk s HIS 91 Cb -0.62 -3.47 0.79 0.00 -1.18 0.00 0.00 32.58 28.09 3kkk s HIS 91 CO 0.40 -1.41 1.71 0.00 -0.65 0.00 0.00 174.74 174.79 3kkk n GLY 93 N 0.63 2.90 0.00 0.00 0.00 -1.26 -1.81 105.19 105.65 3kkk n GLY 93 Ca 0.27 -0.22 0.11 0.00 0.00 0.00 0.00 46.02 46.19 3kkk n GLY 93 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kkk n SER 94 N 1.90 0.00 0.17 1.61 3.41 0.13 -2.83 113.62 118.01 3kkk n SER 94 Ca 0.00 -0.18 0.05 0.00 -0.26 0.00 0.00 58.87 58.48 3kkk n SER 94 Cb 0.00 -0.23 0.21 0.00 -0.26 0.00 0.00 64.21 63.93 3kkk n SER 94 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3kkk h LEU 95 N 0.00 0.00 -9.31 1.04 3.38 -1.61 -3.46 115.31 105.35 3kkk h LEU 95 Ca 0.00 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.32 3kkk h LEU 95 Cb 0.17 0.00 0.04 0.00 0.09 0.00 0.00 40.66 40.96 3kkk h LEU 95 CO 0.00 0.42 0.80 0.00 0.09 0.00 0.00 178.44 179.75 3kkk n GLN 96 N -3.38 1.69 0.00 1.13 6.02 -1.13 -1.10 117.38 120.62 3kkk n GLN 96 Ca 0.01 0.61 0.00 0.00 -0.01 0.00 0.00 57.00 57.61 3kkk n GLN 96 Cb 0.60 -2.35 0.00 0.00 1.02 0.00 0.00 30.24 29.51 3kkk n GLN 96 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kkk n GLY 97 N 3.58 3.25 3.78 1.08 0.00 -0.68 -5.01 105.19 111.19 3kkk n GLY 97 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 3kkk n GLY 97 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kkk s LEU 98 N 0.00 4.57 0.25 0.99 1.43 -0.26 -4.83 118.68 120.84 3kkk s LEU 98 Ca 0.00 1.55 -0.31 0.00 -1.03 0.00 0.00 54.13 54.34 3kkk s LEU 98 Cb 0.00 -3.21 -0.13 0.00 0.03 0.00 0.00 46.19 42.89 3kkk s LEU 98 CO 0.00 0.21 1.48 -3.20 0.23 0.00 0.00 176.35 175.06 3kkk n ASN 99 N 1.73 3.13 0.25 2.29 2.85 -1.26 -2.54 115.26 121.69 3kkk n ASN 99 Ca -0.06 1.14 0.11 0.00 -0.11 0.00 0.00 54.58 55.65 3kkk n ASN 99 Cb 0.49 -1.48 0.64 0.00 1.24 0.00 0.00 39.78 40.67 3kkk n ASN 99 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 3kkk h LYS 100 N 4.46 0.00 0.01 1.20 1.57 -1.41 -2.57 116.57 119.83 3kkk h LYS 100 Ca -0.46 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.30 3kkk h LYS 100 Cb 1.26 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.57 3kkk h LYS 100 CO 0.77 0.17 -0.11 0.77 -0.57 0.00 0.00 179.45 180.48 3kkk h SER 101 N 0.00 0.03 -0.61 0.86 0.02 -1.91 -2.77 113.55 109.18 3kkk h SER 101 Ca -0.00 -0.98 0.05 0.00 -0.84 0.00 0.00 61.79 60.03 3kkk h SER 101 Cb 0.43 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.92 3kkk h SER 101 CO 0.02 1.05 0.40 1.05 -1.14 0.00 0.00 176.83 178.21 3kkk h GLU 102 N -0.96 0.61 -0.48 3.45 4.11 -1.94 -0.63 114.58 118.75 3kkk h GLU 102 Ca -0.02 -0.04 -0.08 0.00 0.07 0.00 0.00 59.36 59.29 3kkk h GLU 102 Cb 1.06 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 3kkk h GLU 102 CO 0.00 0.40 -0.03 1.15 0.07 0.00 0.00 179.01 180.60 3kkk h THR 103 N 0.63 1.27 0.00 -1.06 2.02 -1.57 0.38 112.91 114.57 3kkk h THR 103 Ca 0.26 -1.11 0.00 0.00 0.77 0.00 0.00 66.41 66.32 3kkk h THR 103 Cb 0.23 1.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 3kkk h THR 103 CO -0.08 0.39 0.00 0.00 0.37 0.00 0.00 175.52 176.20 3kkk h ALA 104 N 0.91 1.00 0.00 6.16 0.00 -0.86 -0.34 119.26 126.13 3kkk h ALA 104 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3kkk h ALA 104 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3kkk h ALA 104 CO 0.03 0.00 -1.77 1.63 0.00 0.00 0.00 179.25 179.14 3kkk n LYS 105 N -2.83 0.57 -0.02 0.00 5.02 -0.46 -2.27 118.16 118.17 3kkk n LYS 105 Ca 0.01 -0.15 -0.01 0.00 -2.02 0.00 0.00 58.31 56.13 3kkk n LYS 105 Cb 0.28 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.78 3kkk n LYS 105 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3kkk h LYS 106 N 0.00 -0.06 0.00 1.97 3.64 -0.60 -3.39 116.57 118.13 3kkk h LYS 106 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3kkk h LYS 106 Cb 0.87 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.70 3kkk h LYS 106 CO 0.00 -0.01 -0.63 1.88 -2.27 0.00 0.00 179.45 178.43 3kkk h TYR 107 N -1.02 0.00 0.00 1.91 0.05 -1.31 -3.51 116.97 113.10 3kkk h TYR 107 Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.77 3kkk h TYR 107 Cb 0.08 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.82 3kkk h TYR 107 CO 0.01 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.53 3kkk n GLY 108 N 1.19 0.49 0.25 3.88 0.00 -1.12 -4.53 105.19 105.35 3kkk n GLY 108 Ca 0.02 -1.54 0.12 0.00 0.00 0.00 0.00 46.02 44.61 3kkk n GLY 108 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3kkk h GLU 109 N 0.00 0.00 -0.09 1.61 5.08 -1.78 -2.57 114.58 116.83 3kkk h GLU 109 Ca 0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 3kkk h GLU 109 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3kkk h GLU 109 CO 0.00 0.15 -0.20 1.49 -1.00 0.00 0.00 179.01 179.46 3kkk h GLU 110 N 0.00 0.29 -0.34 2.33 4.81 -1.90 -2.28 114.58 117.48 3kkk h GLU 110 Ca -0.00 -0.19 -0.16 0.00 -0.13 0.00 0.00 59.36 58.88 3kkk h GLU 110 Cb 0.46 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 3kkk h GLU 110 CO 0.02 0.79 -0.42 0.37 -0.73 0.00 0.00 179.01 179.04 3kkk h GLN 111 N -0.18 0.87 -0.51 1.92 5.75 -1.77 -2.75 115.11 118.43 3kkk h GLN 111 Ca 0.00 -0.47 -0.04 0.00 -0.15 0.00 0.00 58.65 57.99 3kkk h GLN 111 Cb 0.79 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.34 3kkk h GLN 111 CO 0.04 1.12 0.15 0.28 -2.65 0.00 0.00 178.83 177.77 3kkk h VAL 112 N 0.70 1.21 -0.48 2.39 2.07 -1.53 -2.80 116.25 117.81 3kkk h VAL 112 Ca 0.05 -0.73 -0.10 0.00 0.82 0.00 0.00 66.70 66.74 3kkk h VAL 112 Cb 1.01 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 3kkk h VAL 112 CO 0.10 0.27 -0.10 0.50 0.02 0.00 0.00 177.57 178.36 3kkk h LYS 113 N 0.75 0.87 -0.78 1.57 3.64 -1.25 -2.82 116.57 118.54 3kkk h LYS 113 Ca 0.17 -0.29 0.01 0.00 -1.27 0.00 0.00 60.65 59.27 3kkk h LYS 113 Cb 0.24 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.95 3kkk h LYS 113 CO -0.01 0.93 0.52 0.82 -2.27 0.00 0.00 179.45 179.44 3kkk h ILE 114 N 0.78 1.20 0.00 2.00 2.04 -1.24 -0.55 117.51 121.74 3kkk h ILE 114 Ca 0.13 -0.36 -0.05 0.00 1.00 0.00 0.00 64.86 65.58 3kkk h ILE 114 Cb 0.61 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 3kkk h ILE 114 CO 0.04 0.19 -0.23 -0.50 0.00 0.00 0.00 178.15 177.65 3kkk h TRP 115 N 1.05 0.00 0.09 1.37 6.55 -1.31 -2.34 115.95 121.36 3kkk h TRP 115 Ca 0.29 0.00 -0.35 0.00 0.95 0.00 0.00 58.89 59.78 3kkk h TRP 115 Cb -0.12 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.16 3kkk h TRP 115 CO -0.02 0.23 -1.92 0.54 -1.05 0.00 0.00 178.44 176.22 3kkk n ARG 116 N -3.55 0.72 -0.00 0.49 1.74 -1.02 -4.66 116.66 110.38 3kkk n ARG 116 Ca -0.01 0.31 0.03 0.00 -0.77 0.00 0.00 57.85 57.41 3kkk n ARG 116 Cb 0.38 -1.70 -0.12 0.00 -1.02 0.00 0.00 32.46 30.01 3kkk n ARG 116 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3kkk n ARG 117 N -3.64 0.65 -1.17 5.56 1.74 -0.24 -4.97 116.66 114.59 3kkk n ARG 117 Ca -0.33 0.01 -0.29 0.00 -0.77 0.00 0.00 57.85 56.46 3kkk n ARG 117 Cb 0.98 -1.65 0.16 0.00 -1.02 0.00 0.00 32.46 30.93 3kkk n ARG 117 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3kkk s SER 118 N -5.20 3.08 -0.10 0.55 1.04 -0.88 -4.99 113.70 107.20 3kkk s SER 118 Ca -0.06 1.38 0.01 0.00 0.48 0.00 0.00 55.95 57.76 3kkk s SER 118 Cb 0.10 -2.06 -0.25 0.00 0.10 0.00 0.00 66.02 63.92 3kkk s SER 118 CO 0.85 -2.87 0.45 0.00 0.98 0.00 0.00 173.24 172.65 3kkk n TYR 119 N -4.03 1.11 -0.46 5.02 9.36 -1.26 -4.59 117.16 122.32 3kkk n TYR 119 Ca 0.06 0.29 0.00 0.00 3.32 0.00 0.00 57.90 61.57 3kkk n TYR 119 Cb 0.56 -1.16 0.00 0.00 -0.63 0.00 0.00 39.34 38.10 3kkk n TYR 119 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 3kkk n ASP 120 N -3.30 1.06 -4.20 2.98 5.68 -1.26 -1.36 116.55 116.15 3kkk n ASP 120 Ca -0.27 -1.52 -0.37 0.00 -0.50 0.00 0.00 54.79 52.13 3kkk n ASP 120 Cb 1.05 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 40.91 3kkk n ASP 120 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 3kkk s ILE 121 N -0.52 3.47 0.56 2.12 1.01 -1.26 -4.94 121.20 121.63 3kkk s ILE 121 Ca 0.00 -1.47 -0.06 0.00 0.00 0.00 0.00 60.65 59.12 3kkk s ILE 121 Cb 0.00 -3.09 -0.01 0.00 0.01 0.00 0.00 42.46 39.36 3kkk s ILE 121 CO 0.00 -0.32 0.88 -2.16 0.00 0.00 0.00 174.94 173.34 3kkk s PRO 122 N 1.29 3.21 1.01 2.79 0.04 -1.26 -4.51 135.00 137.57 3kkk s PRO 122 Ca 0.00 0.16 -0.14 0.00 0.04 0.00 0.00 61.00 61.06 3kkk s PRO 122 Cb -0.21 -2.28 0.19 0.00 0.04 0.00 0.00 34.50 32.24 3kkk s PRO 122 CO -0.00 -0.52 1.13 -1.25 0.04 0.00 0.00 177.00 176.40 3kkk s PRO 123 N -4.93 0.34 0.52 0.56 0.04 -1.26 -4.95 135.00 125.33 3kkk s PRO 123 Ca 0.52 0.23 -0.22 0.00 0.04 0.00 0.00 61.00 61.57 3kkk s PRO 123 Cb -0.10 -1.75 -0.05 0.00 0.04 0.00 0.00 34.50 32.63 3kkk s PRO 123 CO 0.46 -2.73 1.29 -2.14 0.04 0.00 0.00 177.00 173.92 3kkk s PRO 124 N -5.25 3.31 0.63 0.56 0.02 -1.26 -4.80 135.00 128.20 3kkk s PRO 124 Ca 0.67 2.06 -0.16 0.00 0.02 0.00 0.00 61.00 63.59 3kkk s PRO 124 Cb -0.14 -2.27 -0.02 0.00 0.02 0.00 0.00 34.50 32.09 3kkk s PRO 124 CO 0.55 -1.00 1.12 0.15 -0.33 0.00 0.00 177.00 177.49 3kkk s LYS 125 N -2.88 2.95 0.49 5.54 1.02 -1.26 -0.70 119.74 124.91 3kkk s LYS 125 Ca 0.70 1.46 -0.18 0.00 0.02 0.00 0.00 55.97 57.97 3kkk s LYS 125 Cb -0.36 -1.96 -0.09 0.00 -0.52 0.00 0.00 37.83 34.90 3kkk s LYS 125 CO 0.43 -1.14 0.97 -0.51 -0.92 0.00 0.00 175.35 174.17 3kkk s LEU 126 N -4.55 3.72 0.48 3.17 1.43 -0.67 -4.38 118.68 117.87 3kkk s LEU 126 Ca 0.69 1.59 -0.10 0.00 -1.03 0.00 0.00 54.13 55.28 3kkk s LEU 126 Cb -0.22 -4.50 -0.05 0.00 0.03 0.00 0.00 46.19 41.45 3kkk s LEU 126 CO 0.37 -0.52 0.85 -1.81 0.23 0.00 0.00 176.35 175.47 3kkk s ASP 127 N -2.83 6.41 0.55 2.29 1.01 -1.26 -4.85 116.67 117.99 3kkk s ASP 127 Ca 0.60 1.18 0.33 0.00 0.71 0.00 0.00 52.55 55.37 3kkk s ASP 127 Cb -0.10 -2.35 1.34 0.00 1.01 0.00 0.00 42.92 42.83 3kkk s ASP 127 CO 0.26 -0.56 1.98 0.07 0.21 0.00 0.00 175.17 177.13 3kkk h LYS 128 N 0.64 0.00 0.00 8.23 2.10 -2.00 -2.10 116.57 123.44 3kkk h LYS 128 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 3kkk h LYS 128 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 3kkk h LYS 128 CO 0.63 0.01 0.00 0.39 -2.00 0.00 0.00 179.45 178.47 3kkk n GLU 129 N -3.10 0.04 -2.21 0.07 4.71 -1.26 -4.80 120.64 114.08 3kkk n GLU 129 Ca 0.01 0.04 -0.41 0.00 -0.01 0.00 0.00 57.16 56.78 3kkk n GLU 129 Cb 0.31 -1.54 -0.03 0.00 -1.01 0.00 0.00 31.44 29.17 3kkk n GLU 129 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 3kkk s ASP 130 N -3.21 6.89 0.62 1.62 -1.08 -0.79 -4.92 116.67 115.80 3kkk s ASP 130 Ca 0.13 2.47 0.39 0.00 -0.52 0.00 0.00 52.55 55.03 3kkk s ASP 130 Cb 0.18 -2.62 2.03 0.00 -1.46 0.00 0.00 42.92 41.05 3kkk s ASP 130 CO 0.53 -0.50 2.24 0.78 0.52 0.00 0.00 175.17 178.75 3kkk h ASN 131 N 4.70 0.00 0.63 -0.34 2.35 -1.88 -1.32 115.58 119.72 3kkk h ASN 131 Ca -0.46 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.29 3kkk h ASN 131 Cb 1.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.59 3kkk h ASN 131 CO 0.73 0.01 -0.11 0.54 -1.65 0.00 0.00 177.43 176.96 3kkk n ARG 132 N -3.21 0.31 -1.81 0.81 1.74 -1.26 -4.88 116.66 108.36 3kkk n ARG 132 Ca -0.02 -0.07 -0.42 0.00 -0.77 0.00 0.00 57.85 56.57 3kkk n ARG 132 Cb 0.15 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.06 3kkk n ARG 132 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 3kkk s TRP 133 N -2.74 2.08 0.59 -1.55 -0.00 -0.50 -4.86 118.94 111.96 3kkk s TRP 133 Ca 0.21 0.04 0.29 0.00 -0.00 0.00 0.00 56.10 56.65 3kkk s TRP 133 Cb 0.19 -4.09 1.54 0.00 -0.00 0.00 0.00 33.47 31.11 3kkk s TRP 133 CO 0.52 -4.54 1.97 -1.35 -0.00 0.00 0.00 176.95 173.56 3kkk h PRO 134 N 8.92 0.00 -0.01 5.86 0.11 -1.90 -1.77 132.00 143.21 3kkk h PRO 134 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3kkk h PRO 134 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 3kkk h PRO 134 CO 0.94 0.00 0.02 0.78 -0.21 0.00 0.00 178.00 179.53 3kkk h GLY 135 N 0.00 0.00 2.00 -0.55 0.00 -1.89 -1.20 103.07 101.43 3kkk h GLY 135 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 3kkk h GLY 135 CO -0.00 0.00 0.00 0.45 0.00 0.00 0.00 176.54 176.99 3kkk h HIS 136 N 0.00 0.00 -3.36 5.60 3.86 -1.66 -3.46 115.15 116.13 3kkk h HIS 136 Ca 0.01 0.00 -0.58 0.00 -1.16 0.00 0.00 60.37 58.64 3kkk h HIS 136 Cb 0.04 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.44 3kkk h HIS 136 CO 0.00 0.00 0.19 1.21 0.86 0.00 0.00 177.93 180.19 3kkk s ASN 137 N -4.77 6.88 0.49 2.45 3.84 -0.46 -4.95 114.94 118.43 3kkk s ASN 137 Ca 0.09 1.07 0.19 0.00 0.21 0.00 0.00 52.86 54.42 3kkk s ASN 137 Cb 0.11 -2.41 1.23 0.00 -0.55 0.00 0.00 41.25 39.63 3kkk s ASN 137 CO 0.58 -0.25 2.07 -0.37 -2.79 0.00 0.00 177.10 176.34 3kkk h VAL 138 N 5.02 0.94 -1.23 -5.21 -1.51 -1.88 -1.38 116.25 111.01 3kkk h VAL 138 Ca -0.34 -0.40 0.40 0.00 -1.23 0.00 0.00 66.70 65.13 3kkk h VAL 138 Cb 1.16 1.22 -0.13 0.00 -2.13 0.00 0.00 31.29 31.41 3kkk h VAL 138 CO 0.79 0.11 0.78 0.58 -1.23 0.00 0.00 177.57 178.59 3kkk h VAL 139 N 0.00 0.20 -0.47 7.19 2.07 -1.92 -1.30 116.25 122.02 3kkk h VAL 139 Ca -0.00 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 3kkk h VAL 139 Cb 0.21 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 3kkk h VAL 139 CO 0.01 0.03 0.02 -1.22 0.02 0.00 0.00 177.57 176.43 3kkk n TYR 140 N -4.74 1.68 0.21 1.57 4.01 -0.52 -4.70 117.16 114.66 3kkk n TYR 140 Ca 0.35 -0.83 0.05 0.00 -0.16 0.00 0.00 57.90 57.31 3kkk n TYR 140 Cb 1.29 -0.45 0.51 0.00 -0.31 0.00 0.00 39.34 40.38 3kkk n TYR 140 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 3kkk h LYS 141 N 3.07 0.06 -0.00 -0.72 2.10 -1.34 -1.99 116.57 117.74 3kkk h LYS 141 Ca 0.02 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 3kkk h LYS 141 Cb 1.81 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 33.13 3kkk h LYS 141 CO 0.41 0.18 -0.41 0.09 -2.00 0.00 0.00 179.45 177.73 3kkk n ASN 142 N -4.36 0.54 -4.78 7.07 5.03 -1.26 -4.84 115.26 112.66 3kkk n ASN 142 Ca -0.02 -0.31 -0.39 0.00 0.87 0.00 0.00 54.58 54.73 3kkk n ASN 142 Cb 0.21 0.16 -0.06 0.00 -1.02 0.00 0.00 39.78 39.07 3kkk n ASN 142 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3kkk s VAL 143 N -2.90 4.82 0.21 2.41 1.01 -0.75 -5.03 120.40 120.18 3kkk s VAL 143 Ca 0.14 1.28 -0.32 0.00 0.00 0.00 0.00 61.98 63.08 3kkk s VAL 143 Cb 0.18 -3.94 -0.12 0.00 0.00 0.00 0.00 36.38 32.50 3kkk s VAL 143 CO 0.65 0.47 1.70 -2.65 0.00 0.00 0.00 175.10 175.26 3kkk n PRO 144 N 2.34 2.70 0.20 2.72 -0.02 -1.26 -4.87 135.00 136.81 3kkk n PRO 144 Ca -0.08 0.97 0.05 0.00 -2.02 0.00 0.00 63.50 62.43 3kkk n PRO 144 Cb 0.51 -2.81 0.39 0.00 -0.02 0.00 0.00 33.50 31.57 3kkk n PRO 144 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3kkk h LYS 145 N 6.48 0.00 0.00 -0.52 1.79 -1.95 -1.06 116.57 121.31 3kkk h LYS 145 Ca -0.44 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.03 3kkk h LYS 145 Cb 1.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 3kkk h LYS 145 CO 0.93 0.35 0.00 -0.40 -1.08 0.00 0.00 179.45 179.26 3kkk n ASP 146 N -3.73 0.00 0.16 0.86 5.75 -1.26 -1.94 116.55 116.39 3kkk n ASP 146 Ca -0.01 -0.64 0.12 0.00 -0.01 0.00 0.00 54.79 54.25 3kkk n ASP 146 Cb 0.44 -0.10 0.27 0.00 -1.03 0.00 0.00 41.12 40.71 3kkk n ASP 146 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3kkk h ALA 147 N 3.66 0.99 -2.52 2.12 0.00 -1.56 -3.47 119.26 118.48 3kkk h ALA 147 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 3kkk h ALA 147 Cb 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3kkk h ALA 147 CO 0.00 0.00 0.08 -0.51 0.00 0.00 0.00 179.25 178.82 3kkk s LEU 148 N -5.42 4.32 0.34 0.00 1.43 -0.82 -5.05 118.68 113.48 3kkk s LEU 148 Ca 0.09 1.35 -0.19 0.00 -1.03 0.00 0.00 54.13 54.34 3kkk s LEU 148 Cb 0.08 -3.58 -0.10 0.00 0.03 0.00 0.00 46.19 42.63 3kkk s LEU 148 CO 0.64 0.02 0.84 -2.16 0.23 0.00 0.00 176.35 175.92 3kkk s PRO 149 N -2.06 4.20 0.16 1.29 0.04 -1.26 -4.97 135.00 132.41 3kkk s PRO 149 Ca 0.43 0.95 0.21 0.00 0.04 0.00 0.00 61.00 62.63 3kkk s PRO 149 Cb -0.16 -2.47 -0.05 0.00 0.04 0.00 0.00 34.50 31.86 3kkk s PRO 149 CO 0.20 0.15 0.96 1.19 0.04 0.00 0.00 177.00 179.55 3kkk n PHE 150 N -0.14 0.92 -3.54 0.56 3.72 -1.26 -4.62 117.46 113.09 3kkk n PHE 150 Ca 0.03 0.28 -0.07 0.00 -0.05 0.00 0.00 57.45 57.64 3kkk n PHE 150 Cb 0.53 -0.96 -0.02 0.00 -0.94 0.00 0.00 39.48 38.08 3kkk n PHE 150 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 3kkk s THR 151 N -3.28 0.00 -0.03 4.37 -1.32 -1.26 -1.67 115.64 112.45 3kkk s THR 151 Ca -0.01 -0.07 -0.03 0.00 -1.21 0.00 0.00 61.69 60.36 3kkk s THR 151 Cb 0.10 -1.12 0.01 0.00 -1.51 0.00 0.00 72.50 69.97 3kkk s THR 151 CO 0.80 0.00 0.08 -1.61 -2.21 0.00 0.00 174.62 171.68 3kkk s GLU 152 N -3.03 0.13 0.45 7.08 2.02 -0.72 -4.91 118.70 119.72 3kkk s GLU 152 Ca 0.06 0.06 0.06 0.00 0.02 0.00 0.00 54.97 55.18 3kkk s GLU 152 Cb -0.01 0.06 0.01 0.00 0.10 0.00 0.00 34.13 34.30 3kkk s GLU 152 CO -0.07 -0.02 0.62 0.00 0.02 0.00 0.00 175.26 175.80 3kkk h LEU 154 N 0.51 0.68 -0.65 0.00 5.85 -1.77 -1.86 115.31 118.07 3kkk h LEU 154 Ca -0.41 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.35 3kkk h LEU 154 Cb 1.28 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 42.10 3kkk h LEU 154 CO 0.47 0.47 0.37 0.50 -0.34 0.00 0.00 178.44 179.91 3kkk h LYS 155 N 0.79 0.68 -0.20 1.25 3.64 -1.58 0.07 116.57 121.22 3kkk h LYS 155 Ca 0.26 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.62 3kkk h LYS 155 Cb 0.05 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 3kkk h LYS 155 CO -0.07 0.45 0.06 -0.44 -2.27 0.00 0.00 179.45 177.18 3kkk h ASP 156 N 0.70 0.06 -0.47 4.20 3.32 -1.63 -1.09 116.42 121.50 3kkk h ASP 156 Ca 0.28 0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.39 3kkk h ASP 156 Cb 0.14 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.67 3kkk h ASP 156 CO -0.16 0.06 0.24 0.74 -1.72 0.00 0.00 179.24 178.40 3kkk h THR 157 N 0.15 0.97 -1.00 0.35 2.02 -1.08 -1.49 112.91 112.83 3kkk h THR 157 Ca 0.09 -0.16 0.03 0.00 0.77 0.00 0.00 66.41 67.14 3kkk h THR 157 Cb 0.06 0.45 -0.06 0.00 -1.74 0.00 0.00 68.15 66.87 3kkk h THR 157 CO -0.10 0.09 0.66 0.58 0.37 0.00 0.00 175.52 177.12 3kkk h VAL 158 N 0.47 1.19 0.00 3.16 2.07 -0.70 -1.64 116.25 120.80 3kkk h VAL 158 Ca 0.20 -0.44 -0.07 0.00 0.82 0.00 0.00 66.70 67.21 3kkk h VAL 158 Cb 0.11 -0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 29.66 3kkk h VAL 158 CO -0.14 0.23 -0.35 -0.33 0.02 0.00 0.00 177.57 177.00 3kkk h GLU 159 N 1.28 0.00 0.00 1.57 5.08 -0.55 -2.90 114.58 119.06 3kkk h GLU 159 Ca 0.39 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.58 3kkk h GLU 159 Cb -0.03 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 3kkk h GLU 159 CO -0.12 0.35 -1.35 0.07 -1.00 0.00 0.00 179.01 176.97 3kkk h ARG 160 N 0.00 0.00 -0.07 2.33 0.11 -0.81 -3.33 114.38 112.61 3kkk h ARG 160 Ca -0.00 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 59.93 3kkk h ARG 160 Cb 0.96 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.03 3kkk h ARG 160 CO 0.05 0.33 -0.61 0.28 0.10 0.00 0.00 179.97 180.11 3kkk h VAL 161 N 0.00 1.39 -0.84 0.08 2.07 -1.32 -3.37 116.25 114.25 3kkk h VAL 161 Ca -0.15 -1.99 -0.00 0.00 0.82 0.00 0.00 66.70 65.37 3kkk h VAL 161 Cb 1.60 2.01 -0.04 0.00 -1.52 0.00 0.00 31.29 33.33 3kkk h VAL 161 CO 0.05 0.59 0.51 0.25 0.02 0.00 0.00 177.57 178.99 3kkk h LEU 162 N 0.19 1.00 -1.41 2.57 5.85 -1.62 -1.73 115.31 120.17 3kkk h LEU 162 Ca -0.01 -0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.59 3kkk h LEU 162 Cb 1.13 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 3kkk h LEU 162 CO 0.10 0.77 -0.29 -0.65 -0.34 0.00 0.00 178.44 178.03 3kkk h PRO 163 N 1.15 0.00 -0.17 5.25 0.11 -1.76 -0.83 132.00 135.75 3kkk h PRO 163 Ca 0.30 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 66.22 3kkk h PRO 163 Cb -0.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.06 3kkk h PRO 163 CO -0.06 0.29 -0.66 0.35 -0.21 0.00 0.00 178.00 177.72 3kkk h PHE 164 N 0.00 0.85 0.09 0.65 3.57 -1.55 -0.40 116.94 120.16 3kkk h PHE 164 Ca -0.00 -0.34 0.01 0.00 3.53 0.00 0.00 57.97 61.17 3kkk h PHE 164 Cb 0.58 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 3kkk h PHE 164 CO 0.00 1.13 -0.17 2.35 -2.23 0.00 0.00 178.31 179.39 3kkk h TRP 165 N 0.48 -0.45 0.00 0.41 2.91 -1.02 -1.27 115.95 117.01 3kkk h TRP 165 Ca -0.02 0.01 -0.10 0.00 1.13 0.00 0.00 58.89 59.91 3kkk h TRP 165 Cb 1.25 0.19 -0.01 0.00 -0.51 0.00 0.00 29.16 30.07 3kkk h TRP 165 CO 0.06 -0.25 -0.46 0.74 -1.03 0.00 0.00 178.44 177.50 3kkk h PHE 166 N -0.33 0.00 0.00 2.65 0.04 -1.07 -0.11 116.94 118.12 3kkk h PHE 166 Ca 0.03 0.00 -0.20 0.00 2.80 0.00 0.00 57.97 60.59 3kkk h PHE 166 Cb 0.35 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.46 3kkk h PHE 166 CO -0.18 0.46 -2.14 -0.25 -0.60 0.00 0.00 178.31 175.60 3kkk n ASP 167 N -3.83 0.08 0.06 2.17 8.00 -0.17 -4.45 116.55 118.41 3kkk n ASP 167 Ca -0.01 0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.52 3kkk n ASP 167 Cb 0.51 1.33 0.00 0.00 -0.02 0.00 0.00 41.12 42.94 3kkk n ASP 167 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3kkk n HIS 168 N -2.56 -0.64 0.11 1.24 8.25 -0.51 -4.72 115.22 116.38 3kkk n HIS 168 Ca -0.19 0.11 -0.13 0.00 -0.26 0.00 0.00 57.72 57.25 3kkk n HIS 168 Cb 0.89 0.22 -0.08 0.00 1.12 0.00 0.00 29.99 32.13 3kkk n HIS 168 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3kkk h ILE 169 N 0.00 0.91 -0.30 1.59 2.04 -1.51 -2.65 117.51 117.60 3kkk h ILE 169 Ca 0.00 -0.40 -0.05 0.00 1.00 0.00 0.00 64.86 65.41 3kkk h ILE 169 Cb 0.23 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 3kkk h ILE 169 CO 0.00 0.09 -0.03 0.00 0.00 0.00 0.00 178.15 178.21 3kkk h ALA 170 N 0.36 0.40 -0.77 1.87 0.00 -1.26 -1.73 119.26 118.14 3kkk h ALA 170 Ca -0.02 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.68 3kkk h ALA 170 Cb 0.33 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 3kkk h ALA 170 CO 0.04 0.18 0.51 -1.35 0.00 0.00 0.00 179.25 178.63 3kkk h PRO 171 N 0.32 0.87 -0.60 0.00 0.11 -1.77 -0.97 132.00 129.96 3kkk h PRO 171 Ca 0.08 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.12 3kkk h PRO 171 Cb 0.48 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 31.37 3kkk h PRO 171 CO 0.02 0.57 0.29 -0.44 -0.21 0.00 0.00 178.00 178.24 3kkk h ASP 172 N 0.89 0.78 -0.54 -2.05 5.19 -1.08 -1.07 116.42 118.54 3kkk h ASP 172 Ca 0.32 -0.13 0.01 0.00 -0.62 0.00 0.00 57.03 56.61 3kkk h ASP 172 Cb 0.13 -0.20 -0.03 0.00 0.18 0.00 0.00 39.33 39.41 3kkk h ASP 172 CO -0.10 0.68 0.35 0.40 -3.12 0.00 0.00 179.24 177.46 3kkk h ILE 173 N 0.81 1.13 0.00 0.35 2.04 -0.69 -1.70 117.51 119.45 3kkk h ILE 173 Ca 0.21 -0.25 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 3kkk h ILE 173 Cb 0.11 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 36.53 3kkk h ILE 173 CO -0.03 0.13 -0.13 -0.07 0.00 0.00 0.00 178.15 178.06 3kkk h LEU 174 N 0.72 0.00 -0.35 1.44 3.38 -0.85 -0.76 115.31 118.89 3kkk h LEU 174 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3kkk h LEU 174 Cb -0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3kkk h LEU 174 CO -0.05 0.13 0.00 0.00 0.09 0.00 0.00 178.44 178.61 3kkk n ALA 175 N -2.44 2.50 -1.82 1.53 0.00 -0.44 -4.90 120.51 114.94 3kkk n ALA 175 Ca -0.02 -0.17 -0.09 0.00 0.00 0.00 0.00 53.44 53.15 3kkk n ALA 175 Cb 0.21 -1.02 -0.02 0.00 0.00 0.00 0.00 19.45 18.62 3kkk n ALA 175 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3kkk n ASN 176 N -0.25 -3.54 -4.81 0.00 5.15 -0.29 -5.03 115.26 106.49 3kkk n ASN 176 Ca 0.04 0.08 -0.38 0.00 -0.60 0.00 0.00 54.58 53.73 3kkk n ASN 176 Cb 0.09 -2.44 -0.06 0.00 -0.53 0.00 0.00 39.78 36.83 3kkk n ASN 176 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3kkk s LYS 177 N -3.80 4.26 -0.41 1.20 1.02 -0.82 -5.04 119.74 116.16 3kkk s LYS 177 Ca 0.00 0.82 -0.23 0.00 0.02 0.00 0.00 55.97 56.58 3kkk s LYS 177 Cb 0.00 -3.18 0.02 0.00 -0.52 0.00 0.00 37.83 34.15 3kkk s LYS 177 CO 0.00 0.59 0.78 0.15 -0.92 0.00 0.00 175.35 175.94 3kkk s LYS 178 N -1.28 3.58 -0.12 1.68 1.02 -1.26 -4.37 119.74 118.99 3kkk s LYS 178 Ca 0.33 0.09 -0.04 0.00 0.02 0.00 0.00 55.97 56.36 3kkk s LYS 178 Cb -0.20 -3.87 -0.04 0.00 -0.52 0.00 0.00 37.83 33.21 3kkk s LYS 178 CO 0.21 -0.98 0.04 0.08 -0.92 0.00 0.00 175.35 173.78 3kkk s VAL 179 N 3.18 4.66 -0.09 3.17 1.01 -1.26 -0.47 120.40 130.60 3kkk s VAL 179 Ca 0.30 -0.10 -0.00 0.00 0.00 0.00 0.00 61.98 62.18 3kkk s VAL 179 Cb -0.13 -3.01 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 3kkk s VAL 179 CO 0.20 0.57 -0.07 -0.32 0.00 0.00 0.00 175.10 175.48 3kkk s MET 180 N -0.58 2.97 -0.31 2.72 1.75 -0.99 -2.07 119.30 122.79 3kkk s MET 180 Ca 0.10 -0.55 -0.05 0.00 -1.25 0.00 0.00 55.69 53.95 3kkk s MET 180 Cb -0.12 -2.66 0.03 0.00 2.84 0.00 0.00 34.83 34.93 3kkk s MET 180 CO 0.02 0.56 0.05 0.08 -0.65 0.00 0.00 175.02 175.08 3kkk s VAL 181 N -0.52 3.50 -0.39 10.11 1.01 0.74 -1.08 120.40 133.77 3kkk s VAL 181 Ca 0.08 -1.07 -0.10 0.00 0.00 0.00 0.00 61.98 60.89 3kkk s VAL 181 Cb -0.12 -2.92 0.05 0.00 0.00 0.00 0.00 36.38 33.40 3kkk s VAL 181 CO 0.02 -0.04 0.22 0.00 0.00 0.00 0.00 175.10 175.30 3kkk s ALA 182 N 1.38 3.26 0.00 5.51 0.00 -0.17 -0.64 121.76 131.10 3kkk s ALA 182 Ca -0.01 -1.94 0.00 0.00 0.00 0.00 0.00 51.96 50.01 3kkk s ALA 182 Cb -0.19 -2.59 0.00 0.00 0.00 0.00 0.00 23.12 20.34 3kkk s ALA 182 CO 0.01 -1.52 0.00 0.00 0.00 0.00 0.00 175.76 174.25 3kkk n ALA 183 N 4.94 0.00 -2.51 0.00 0.00 -0.40 -3.86 120.51 118.68 3kkk n ALA 183 Ca -0.11 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.09 3kkk n ALA 183 Cb 0.44 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.80 3kkk n ALA 183 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3kkk s HIS 184 N 0.83 2.39 0.15 0.00 3.76 -1.26 -2.15 115.29 119.01 3kkk s HIS 184 Ca 0.00 -0.37 -0.26 0.00 -0.15 0.00 0.00 55.06 54.29 3kkk s HIS 184 Cb 0.00 -1.16 0.01 0.00 1.11 0.00 0.00 32.58 32.54 3kkk s HIS 184 CO 0.00 0.65 1.59 0.78 -0.85 0.00 0.00 174.74 176.92 3kkk h GLY 185 N 2.12 -0.44 1.05 -2.22 0.00 -1.93 0.10 103.07 101.76 3kkk h GLY 185 Ca -0.41 0.45 -0.11 0.00 0.00 0.00 0.00 47.33 47.26 3kkk h GLY 185 CO 0.63 -0.21 -0.17 3.43 0.00 0.00 0.00 176.54 180.22 3kkk h ASN 186 N -0.35 0.91 -0.49 0.19 2.35 -1.97 0.18 115.58 116.41 3kkk h ASN 186 Ca 0.13 -0.39 -0.10 0.00 -0.55 0.00 0.00 56.30 55.39 3kkk h ASN 186 Cb 0.56 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.66 3kkk h ASN 186 CO -0.47 1.10 -0.08 0.77 -1.65 0.00 0.00 177.43 177.09 3kkk h SER 187 N 0.73 0.94 -0.34 5.81 4.64 -1.74 -1.80 113.55 121.79 3kkk h SER 187 Ca 0.10 -0.29 -0.10 0.00 -0.47 0.00 0.00 61.79 61.03 3kkk h SER 187 Cb 0.73 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.55 3kkk h SER 187 CO 0.06 1.05 -0.14 -0.07 -0.87 0.00 0.00 176.83 176.85 3kkk h LEU 188 N 0.86 0.79 -1.57 5.97 3.38 -0.53 -2.53 115.31 121.68 3kkk h LEU 188 Ca 0.14 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 3kkk h LEU 188 Cb 0.61 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3kkk h LEU 188 CO 0.04 0.94 0.17 0.03 0.09 0.00 0.00 178.44 179.70 3kkk h ARG 189 N 0.71 0.45 -0.49 1.13 3.08 -0.32 0.33 114.38 119.27 3kkk h ARG 189 Ca 0.11 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 60.02 3kkk h ARG 189 Cb 0.63 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 3kkk h ARG 189 CO 0.04 0.35 -0.08 0.78 -1.07 0.00 0.00 179.97 180.00 3kkk h GLY 190 N 0.56 0.96 0.71 0.04 0.00 -0.97 0.21 103.07 104.57 3kkk h GLY 190 Ca 0.12 -0.72 -0.01 0.00 0.00 0.00 0.00 47.33 46.71 3kkk h GLY 190 CO -0.02 0.67 -0.01 1.41 0.00 0.00 0.00 176.54 178.59 3kkk h LEU 191 N 0.80 0.11 -0.92 3.11 3.38 -0.93 -3.07 115.31 117.79 3kkk h LEU 191 Ca 0.14 -0.33 0.03 0.00 0.09 0.00 0.00 57.88 57.80 3kkk h LEU 191 Cb 0.59 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.26 3kkk h LEU 191 CO 0.04 0.42 0.60 0.58 0.09 0.00 0.00 178.44 180.17 3kkk h VAL 192 N -0.20 1.17 -0.58 1.22 2.07 -0.90 -0.98 116.25 118.05 3kkk h VAL 192 Ca 0.02 -0.40 0.09 0.00 0.82 0.00 0.00 66.70 67.23 3kkk h VAL 192 Cb 0.36 -0.11 -0.07 0.00 -1.52 0.00 0.00 31.29 29.95 3kkk h VAL 192 CO 0.00 0.21 0.18 0.50 0.02 0.00 0.00 177.57 178.48 3kkk h LYS 193 N 1.18 0.32 -0.02 1.57 3.64 -0.91 -1.10 116.57 121.25 3kkk h LYS 193 Ca 0.36 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.71 3kkk h LYS 193 Cb -0.02 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.73 3kkk h LYS 193 CO -0.11 0.21 -0.03 1.25 -2.27 0.00 0.00 179.45 178.50 3kkk h HIS 194 N 0.33 0.06 -0.38 1.91 2.76 -1.38 0.19 115.15 118.65 3kkk h HIS 194 Ca 0.29 -0.02 0.06 0.00 -2.20 0.00 0.00 60.37 58.50 3kkk h HIS 194 Cb 0.38 -0.01 -0.08 0.00 1.55 0.00 0.00 27.41 29.25 3kkk h HIS 194 CO -0.20 0.59 -0.49 -0.07 -1.30 0.00 0.00 177.93 176.47 3kkk h LEU 195 N -0.48 -1.61 -1.33 0.26 3.38 -0.85 -1.55 115.31 113.13 3kkk h LEU 195 Ca 0.00 0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3kkk h LEU 195 Cb 0.59 0.68 0.00 0.00 0.09 0.00 0.00 40.66 42.02 3kkk h LEU 195 CO 0.01 -0.39 0.00 0.47 0.09 0.00 0.00 178.44 178.61 3kkk n ASP 196 N -5.40 2.01 -3.70 -0.43 8.00 -0.45 -4.54 116.55 112.04 3kkk n ASP 196 Ca -0.02 -1.74 -0.24 0.00 0.71 0.00 0.00 54.79 53.50 3kkk n ASP 196 Cb 0.35 -0.10 0.03 0.00 -0.02 0.00 0.00 41.12 41.38 3kkk n ASP 196 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3kkk n ASN 197 N 0.55 -2.43 -4.83 -2.24 2.85 0.12 -4.94 115.26 104.34 3kkk n ASN 197 Ca 0.17 -0.89 -0.33 0.00 -0.11 0.00 0.00 54.58 53.42 3kkk n ASN 197 Cb 0.40 -3.81 -0.04 0.00 1.24 0.00 0.00 39.78 37.57 3kkk n ASN 197 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 3kkk s LEU 198 N -6.57 3.71 0.91 1.20 1.43 0.45 -5.01 118.68 114.79 3kkk s LEU 198 Ca 0.15 1.66 -0.12 0.00 -1.03 0.00 0.00 54.13 54.78 3kkk s LEU 198 Cb -0.05 -4.52 0.14 0.00 0.03 0.00 0.00 46.19 41.79 3kkk s LEU 198 CO 0.83 -0.61 1.15 -0.94 0.23 0.00 0.00 176.35 177.01 3kkk s SER 199 N -2.72 3.57 0.20 2.29 1.04 -1.26 -4.88 113.70 111.94 3kkk s SER 199 Ca 0.61 0.92 -0.10 0.00 0.48 0.00 0.00 55.95 57.86 3kkk s SER 199 Cb -0.11 -1.47 0.14 0.00 0.10 0.00 0.00 66.02 64.68 3kkk s SER 199 CO 0.26 -2.51 1.81 -0.33 0.98 0.00 0.00 173.24 173.45 3kkk h GLU 200 N -1.47 1.02 -0.34 4.02 5.08 -2.00 -2.09 114.58 118.81 3kkk h GLU 200 Ca -0.50 -0.13 0.02 0.00 -1.00 0.00 0.00 59.36 57.76 3kkk h GLU 200 Cb 1.33 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 30.36 3kkk h GLU 200 CO 0.61 0.77 0.18 0.00 -1.00 0.00 0.00 179.01 179.58 3kkk h ALA 201 N 1.20 0.42 -0.48 3.43 0.00 -2.00 -2.36 119.26 119.48 3kkk h ALA 201 Ca 0.26 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 3kkk h ALA 201 Cb 0.05 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3kkk h ALA 201 CO -0.04 -0.18 0.13 -0.44 0.00 0.00 0.00 179.25 178.72 3kkk h ASP 202 N 0.38 0.71 0.18 0.00 3.32 -1.87 -2.56 116.42 116.57 3kkk h ASP 202 Ca 0.14 -0.22 -0.07 0.00 0.02 0.00 0.00 57.03 56.90 3kkk h ASP 202 Cb 0.03 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 3kkk h ASP 202 CO -0.09 0.74 -0.27 1.62 -1.72 0.00 0.00 179.24 179.53 3kkk h VAL 203 N 0.64 1.23 -0.20 -1.35 3.04 -1.30 -2.06 116.25 116.25 3kkk h VAL 203 Ca 0.15 -1.08 -0.12 0.00 -1.01 0.00 0.00 66.70 64.64 3kkk h VAL 203 Cb 0.30 1.47 -0.01 0.00 -2.01 0.00 0.00 31.29 31.03 3kkk h VAL 203 CO -0.00 0.32 -0.39 -0.07 -1.01 0.00 0.00 177.57 176.42 3kkk h LEU 204 N 0.14 0.48 0.00 3.16 3.38 -1.21 -2.91 115.31 118.35 3kkk h LEU 204 Ca 0.02 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3kkk h LEU 204 Cb 0.56 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3kkk h LEU 204 CO 0.04 0.83 -0.06 -0.62 0.09 0.00 0.00 178.44 178.72 3kkk n GLU 205 N -4.03 0.11 -2.42 1.13 1.02 -0.98 -4.83 120.64 110.63 3kkk n GLU 205 Ca -0.01 0.08 -0.42 0.00 -0.02 0.00 0.00 57.16 56.78 3kkk n GLU 205 Cb 0.50 -1.62 -0.03 0.00 -0.02 0.00 0.00 31.44 30.27 3kkk n GLU 205 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3kkk s LEU 206 N -3.61 4.26 -0.20 -4.62 2.96 -0.81 -5.02 118.68 111.65 3kkk s LEU 206 Ca 0.12 1.82 0.01 0.00 -0.22 0.00 0.00 54.13 55.87 3kkk s LEU 206 Cb 0.16 -3.55 0.03 0.00 0.50 0.00 0.00 46.19 43.33 3kkk s LEU 206 CO 0.57 -0.64 -0.16 0.21 -1.32 0.00 0.00 176.35 175.01 3kkk s ASN 207 N 1.65 3.45 -0.30 3.68 2.47 -1.26 -5.01 114.94 119.63 3kkk s ASN 207 Ca 0.57 -0.85 -0.18 0.00 0.42 0.00 0.00 52.86 52.82 3kkk s ASN 207 Cb -0.25 -1.44 -0.02 0.00 -1.45 0.00 0.00 41.25 38.09 3kkk s ASN 207 CO 0.21 -0.07 0.50 -0.63 -3.72 0.00 0.00 177.10 173.39 3kkk s ILE 208 N 1.27 5.06 0.58 -5.21 1.01 -1.26 -5.06 121.20 117.59 3kkk s ILE 208 Ca 0.01 0.63 -0.18 0.00 0.00 0.00 0.00 60.65 61.10 3kkk s ILE 208 Cb -0.15 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 3kkk s ILE 208 CO -0.10 -0.03 1.14 -2.16 0.00 0.00 0.00 174.94 173.78 3kkk s PRO 209 N 2.33 3.13 0.32 2.79 0.04 -1.26 -4.96 135.00 137.38 3kkk s PRO 209 Ca 0.20 1.60 -0.27 0.00 0.04 0.00 0.00 61.00 62.56 3kkk s PRO 209 Cb -0.16 -1.98 -0.09 0.00 0.04 0.00 0.00 34.50 32.32 3kkk s PRO 209 CO 0.11 -1.03 1.02 0.95 0.04 0.00 0.00 177.00 178.09 3kkk s THR 210 N -1.89 3.82 -1.46 1.26 -4.23 -1.26 -4.00 115.64 107.88 3kkk s THR 210 Ca 0.72 1.61 0.00 0.00 -1.18 0.00 0.00 61.69 62.84 3kkk s THR 210 Cb -0.24 -3.94 0.00 0.00 1.34 0.00 0.00 72.50 69.65 3kkk s THR 210 CO 0.32 0.23 0.00 0.61 -0.54 0.00 0.00 174.62 175.23 3kkk n GLY 211 N 0.84 0.79 2.96 3.99 0.00 0.18 -4.96 105.19 108.99 3kkk n GLY 211 Ca 0.01 -0.29 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 3kkk n GLY 211 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kkk s VAL 212 N -2.63 1.56 0.19 1.61 1.01 -1.26 -4.40 120.40 116.48 3kkk s VAL 212 Ca 0.00 -1.11 -0.32 0.00 0.00 0.00 0.00 61.98 60.55 3kkk s VAL 212 Cb 0.00 -1.74 -0.12 0.00 0.00 0.00 0.00 36.38 34.52 3kkk s VAL 212 CO 0.00 0.02 1.73 -2.84 0.00 0.00 0.00 175.10 174.01 3kkk s PRO 213 N 1.40 4.13 -0.31 2.72 0.02 -1.26 -4.60 135.00 137.11 3kkk s PRO 213 Ca -0.04 2.59 -0.08 0.00 0.02 0.00 0.00 61.00 63.49 3kkk s PRO 213 Cb -0.18 -3.15 0.00 0.00 0.02 0.00 0.00 34.50 31.19 3kkk s PRO 213 CO -0.07 -0.76 0.11 -1.17 -0.33 0.00 0.00 177.00 174.79 3kkk s LEU 214 N 1.40 4.00 -0.23 -5.54 2.96 0.10 -1.79 118.68 119.58 3kkk s LEU 214 Ca 0.75 -0.67 -0.10 0.00 -0.22 0.00 0.00 54.13 53.90 3kkk s LEU 214 Cb -0.49 -1.93 -0.05 0.00 0.50 0.00 0.00 46.19 44.22 3kkk s LEU 214 CO 0.33 -0.21 0.14 -0.69 -1.32 0.00 0.00 176.35 174.60 3kkk s VAL 215 N 1.54 5.23 -0.13 1.68 1.01 0.50 -0.18 120.40 130.03 3kkk s VAL 215 Ca 0.03 0.13 -0.03 0.00 0.00 0.00 0.00 61.98 62.12 3kkk s VAL 215 Cb -0.17 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 3kkk s VAL 215 CO 0.04 0.37 -0.04 -0.31 0.00 0.00 0.00 175.10 175.16 3kkk s TYR 216 N 0.92 3.02 -0.20 5.22 2.02 0.90 -1.57 117.35 127.66 3kkk s TYR 216 Ca 0.07 -0.21 -0.09 0.00 -0.37 0.00 0.00 57.07 56.47 3kkk s TYR 216 Cb -0.13 -1.90 -0.05 0.00 -0.40 0.00 0.00 41.96 39.48 3kkk s TYR 216 CO 0.03 0.06 0.10 -1.21 -1.57 0.00 0.00 175.55 172.97 3kkk s GLU 217 N 0.07 4.07 0.05 -0.62 2.02 -0.28 -0.65 118.70 123.35 3kkk s GLU 217 Ca -0.00 -0.28 0.07 0.00 0.02 0.00 0.00 54.97 54.77 3kkk s GLU 217 Cb -0.13 -3.34 -0.03 0.00 0.10 0.00 0.00 34.13 30.73 3kkk s GLU 217 CO 0.03 0.25 -0.20 -0.51 0.02 0.00 0.00 175.26 174.85 3kkk s LEU 218 N 0.47 2.17 0.00 1.80 1.43 -0.27 0.29 118.68 124.58 3kkk s LEU 218 Ca 0.06 -0.52 -0.08 0.00 -1.03 0.00 0.00 54.13 52.55 3kkk s LEU 218 Cb -0.12 -0.92 0.13 0.00 0.03 0.00 0.00 46.19 45.30 3kkk s LEU 218 CO -0.00 0.14 0.77 -0.90 0.23 0.00 0.00 176.35 176.58 3kkk n ASP 219 N 1.81 0.22 0.26 2.29 5.68 -0.33 -0.80 116.55 125.68 3kkk n ASP 219 Ca -0.17 -1.38 0.16 0.00 -0.50 0.00 0.00 54.79 52.90 3kkk n ASP 219 Cb 0.53 -0.57 0.88 0.00 -1.14 0.00 0.00 41.12 40.83 3kkk n ASP 219 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3kkk h GLU 220 N 0.00 0.00 -0.66 0.11 9.09 -1.90 0.21 114.58 121.43 3kkk h GLU 220 Ca -0.25 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.16 3kkk h GLU 220 Cb 0.72 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.82 3kkk h GLU 220 CO 0.19 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.34 3kkk n ASN 221 N -3.81 3.72 -0.94 3.06 3.02 -1.26 -4.95 115.26 114.11 3kkk n ASN 221 Ca -0.01 -2.10 -0.12 0.00 -0.03 0.00 0.00 54.58 52.32 3kkk n ASN 221 Cb 0.19 -0.47 -0.05 0.00 -0.61 0.00 0.00 39.78 38.84 3kkk n ASN 221 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3kkk n LEU 222 N 1.32 -0.78 -4.71 3.41 4.77 0.06 -5.00 117.00 116.08 3kkk n LEU 222 Ca 0.22 0.31 -0.42 0.00 -0.03 0.00 0.00 56.01 56.09 3kkk n LEU 222 Cb 0.62 -2.14 -0.03 0.00 -2.33 0.00 0.00 43.42 39.54 3kkk n LEU 222 CO 0.17 -0.77 0.75 -0.75 -1.33 0.00 0.00 177.39 175.46 3kkk s LYS 223 N -2.95 4.52 0.08 3.23 2.20 -1.26 -4.74 119.74 120.82 3kkk s LYS 223 Ca 0.00 1.54 -0.32 0.00 -0.36 0.00 0.00 55.97 56.83 3kkk s LYS 223 Cb 0.00 -3.42 -0.11 0.00 -1.51 0.00 0.00 37.83 32.79 3kkk s LYS 223 CO 0.00 -0.11 1.84 -2.30 -0.36 0.00 0.00 175.35 174.42 3kkk n PRO 224 N 3.87 2.64 0.08 4.03 -0.02 -1.26 -1.19 135.00 143.15 3kkk n PRO 224 Ca 0.07 0.96 -0.21 0.00 -2.02 0.00 0.00 63.50 62.30 3kkk n PRO 224 Cb 0.49 -2.85 -0.15 0.00 -0.02 0.00 0.00 33.50 30.97 3kkk n PRO 224 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3kkk h ILE 225 N 4.85 1.44 -2.33 4.25 2.04 -0.49 -3.47 117.51 123.79 3kkk h ILE 225 Ca -0.47 -2.59 0.18 0.00 1.00 0.00 0.00 64.86 62.99 3kkk h ILE 225 Cb 1.24 3.16 -0.07 0.00 -0.74 0.00 0.00 36.82 40.41 3kkk h ILE 225 CO 0.94 0.75 0.55 -1.59 0.00 0.00 0.00 178.15 178.79 3kkk s LYS 226 N -2.48 1.18 0.05 2.37 -2.85 -1.17 -5.02 119.74 111.83 3kkk s LYS 226 Ca -0.12 -0.70 -0.06 0.00 -1.00 0.00 0.00 55.97 54.09 3kkk s LYS 226 Cb 0.02 0.37 -0.01 0.00 -2.06 0.00 0.00 37.83 36.15 3kkk s LYS 226 CO 0.87 -0.55 0.11 -3.38 0.10 0.00 0.00 175.35 172.50 3kkk s HIS 227 N -2.82 0.23 0.04 1.78 -3.43 -1.26 -1.12 115.29 108.71 3kkk s HIS 227 Ca 0.16 -0.61 -0.27 0.00 -0.80 0.00 0.00 55.06 53.54 3kkk s HIS 227 Cb -0.01 -0.15 0.09 0.00 -1.43 0.00 0.00 32.58 31.08 3kkk s HIS 227 CO 0.03 -0.42 0.83 1.52 -2.00 0.00 0.00 174.74 174.70 3kkk s TYR 228 N -3.18 -0.37 -0.12 0.38 1.13 -0.61 -5.00 117.35 109.57 3kkk s TYR 228 Ca -0.00 0.21 -0.07 0.00 -1.41 0.00 0.00 57.07 55.81 3kkk s TYR 228 Cb 0.02 0.55 -0.04 0.00 -1.10 0.00 0.00 41.96 41.39 3kkk s TYR 228 CO -0.07 -0.63 0.12 0.71 -2.51 0.00 0.00 175.55 173.17 3kkk s TYR 229 N -3.27 3.53 -1.31 -3.49 2.02 -1.26 -0.37 117.35 113.20 3kkk s TYR 229 Ca 0.05 0.47 -0.16 0.00 -0.37 0.00 0.00 57.07 57.06 3kkk s TYR 229 Cb -0.01 -1.94 0.09 0.00 -0.40 0.00 0.00 41.96 39.70 3kkk s TYR 229 CO -0.09 0.68 1.79 1.28 -1.57 0.00 0.00 175.55 177.63 3kkk n LEU 230 N 2.11 5.43 0.00 -1.29 4.77 -0.74 -4.99 117.00 122.29 3kkk n LEU 230 Ca -0.20 -4.08 0.00 0.00 -0.03 0.00 0.00 56.01 51.70 3kkk n LEU 230 Cb 0.55 -1.70 0.00 0.00 -2.33 0.00 0.00 43.42 39.94 3kkk n LEU 230 CO 0.31 0.48 0.00 -0.11 -1.33 0.00 0.00 177.39 176.74