#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kkl s LYS 4 N 0.00 3.31 -0.11 0.54 1.02 -1.26 -5.00 119.74 118.24 3kkl s LYS 4 Ca 0.00 -0.66 0.03 0.00 0.02 0.00 0.00 55.97 55.36 3kkl s LYS 4 Cb 0.00 -2.95 0.01 0.00 -0.52 0.00 0.00 37.83 34.37 3kkl s LYS 4 CO 0.00 -0.20 -0.22 1.03 -0.92 0.00 0.00 175.35 175.04 3kkl s ARG 5 N 1.45 2.87 0.02 1.68 0.52 -1.26 -1.18 118.95 123.05 3kkl s ARG 5 Ca 0.06 -0.81 -0.02 0.00 -0.52 0.00 0.00 55.73 54.44 3kkl s ARG 5 Cb -0.14 -2.25 -0.04 0.00 0.52 0.00 0.00 34.95 33.04 3kkl s ARG 5 CO -0.05 0.08 0.20 0.00 0.02 0.00 0.00 175.30 175.55 3kkl s ALA 6 N 0.60 3.97 -0.15 2.13 0.00 -0.57 0.46 121.76 128.20 3kkl s ALA 6 Ca -0.13 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.06 3kkl s ALA 6 Cb -0.17 -1.87 0.02 0.00 0.00 0.00 0.00 23.12 21.10 3kkl s ALA 6 CO 0.04 0.78 -0.19 -1.17 0.00 0.00 0.00 175.76 175.22 3kkl s LEU 7 N -2.18 1.97 -0.25 0.00 2.96 0.13 -1.58 118.68 119.72 3kkl s LEU 7 Ca 0.31 -0.56 -0.07 0.00 -0.22 0.00 0.00 54.13 53.58 3kkl s LEU 7 Cb -0.13 -1.34 -0.03 0.00 0.50 0.00 0.00 46.19 45.19 3kkl s LEU 7 CO 0.22 0.02 0.07 -0.63 -1.32 0.00 0.00 176.35 174.72 3kkl s ILE 8 N 1.11 4.32 0.19 6.68 1.01 -0.15 0.11 121.20 134.47 3kkl s ILE 8 Ca -0.01 -0.20 -0.10 0.00 0.00 0.00 0.00 60.65 60.34 3kkl s ILE 8 Cb -0.14 -3.03 -0.07 0.00 0.01 0.00 0.00 42.46 39.23 3kkl s ILE 8 CO -0.07 0.32 0.52 -0.94 0.00 0.00 0.00 174.94 174.77 3kkl s SER 9 N 1.61 6.65 0.13 3.58 1.04 -0.09 -1.47 113.70 125.16 3kkl s SER 9 Ca 0.06 0.90 0.08 0.00 0.48 0.00 0.00 55.95 57.48 3kkl s SER 9 Cb -0.15 -2.22 -0.04 0.00 0.10 0.00 0.00 66.02 63.71 3kkl s SER 9 CO 0.04 0.00 -0.12 -0.76 0.98 0.00 0.00 173.24 173.37 3kkl s LEU 10 N -2.54 2.91 0.55 2.42 1.43 0.06 -1.51 118.68 122.01 3kkl s LEU 10 Ca 0.43 -0.50 -0.21 0.00 -1.03 0.00 0.00 54.13 52.82 3kkl s LEU 10 Cb -0.12 -1.69 -0.05 0.00 0.03 0.00 0.00 46.19 44.36 3kkl s LEU 10 CO 0.21 0.15 1.32 0.28 0.23 0.00 0.00 176.35 178.54 3kkl s THR 11 N -1.35 2.23 -0.16 5.49 -1.32 -1.26 -4.44 115.64 114.84 3kkl s THR 11 Ca 0.21 0.17 0.22 0.00 -1.21 0.00 0.00 61.69 61.08 3kkl s THR 11 Cb -0.10 -3.08 -0.13 0.00 -1.51 0.00 0.00 72.50 67.68 3kkl s THR 11 CO 0.13 -0.01 0.83 -1.20 -2.21 0.00 0.00 174.62 172.16 3kkl n SER 12 N -1.08 0.54 -4.63 8.08 7.64 -1.26 -4.61 113.62 118.30 3kkl n SER 12 Ca 0.11 0.21 -0.42 0.00 1.01 0.00 0.00 58.87 59.77 3kkl n SER 12 Cb 0.46 0.99 -0.04 0.00 -1.01 0.00 0.00 64.21 64.62 3kkl n SER 12 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3kkl s TYR 13 N -3.39 3.22 -1.04 1.43 5.04 -1.26 -4.46 117.35 116.88 3kkl s TYR 13 Ca -0.03 1.06 -0.02 0.00 -2.44 0.00 0.00 57.07 55.64 3kkl s TYR 13 Cb 0.11 -3.34 0.32 0.00 0.35 0.00 0.00 41.96 39.40 3kkl s TYR 13 CO 0.83 -0.59 1.75 1.58 -1.34 0.00 0.00 175.55 177.79 3kkl n HIS 14 N 6.39 2.66 -4.57 4.97 -0.00 -1.26 -3.25 115.22 120.16 3kkl n HIS 14 Ca 0.07 -2.57 0.00 0.00 -0.00 0.00 0.00 57.72 55.23 3kkl n HIS 14 Cb 0.47 -1.21 0.00 0.00 -0.00 0.00 0.00 29.99 29.26 3kkl n HIS 14 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3kkl n GLY 15 N 0.22 -0.70 3.88 1.57 0.00 -1.18 -4.61 105.19 104.36 3kkl n GLY 15 Ca 0.43 -1.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.04 3kkl n GLY 15 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kkl s PRO 16 N 0.00 3.74 0.26 1.61 0.04 -1.26 -4.82 135.00 134.57 3kkl s PRO 16 Ca 0.00 0.50 0.00 0.00 0.04 0.00 0.00 61.00 61.54 3kkl s PRO 16 Cb 0.00 -2.33 0.00 0.00 0.04 0.00 0.00 34.50 32.21 3kkl s PRO 16 CO 0.00 -0.14 0.00 0.34 0.04 0.00 0.00 177.00 177.24 3kkl n PHE 17 N -1.63 -2.76 -2.32 0.56 7.35 -1.14 -4.82 117.46 112.70 3kkl n PHE 17 Ca 0.03 0.67 -0.41 0.00 -0.76 0.00 0.00 57.45 56.98 3kkl n PHE 17 Cb 0.54 1.60 -0.03 0.00 0.35 0.00 0.00 39.48 41.94 3kkl n PHE 17 CO 0.00 0.00 0.00 0.71 -0.76 0.00 0.00 176.76 176.71 3kkl s TYR 18 N -2.00 3.35 0.49 -5.13 1.51 -1.17 -4.99 117.35 109.41 3kkl s TYR 18 Ca 0.00 1.52 -0.22 0.00 -1.01 0.00 0.00 57.07 57.36 3kkl s TYR 18 Cb 0.00 -3.47 -0.07 0.00 -0.11 0.00 0.00 41.96 38.32 3kkl s TYR 18 CO 0.00 -1.21 1.19 0.15 -1.11 0.00 0.00 175.55 174.58 3kkl s LYS 19 N -1.26 3.56 0.00 -0.62 3.01 -1.26 -1.38 119.74 121.79 3kkl s LYS 19 Ca 0.48 1.83 0.00 0.00 -1.01 0.00 0.00 55.97 57.27 3kkl s LYS 19 Cb -0.35 -2.30 0.00 0.00 -1.01 0.00 0.00 37.83 34.17 3kkl s LYS 19 CO 0.44 -0.73 0.00 -0.40 0.51 0.00 0.00 175.35 175.17 3kkl n ASP 20 N -0.74 0.00 0.00 2.83 5.68 -1.26 -4.70 116.55 118.36 3kkl n ASP 20 Ca 0.09 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.38 3kkl n ASP 20 Cb 0.48 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.46 3kkl n ASP 20 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kkl n GLY 21 N -2.00 0.67 3.79 6.12 0.00 -0.48 -5.02 105.19 108.27 3kkl n GLY 21 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3kkl n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kkl s ALA 22 N -2.83 2.58 -0.02 4.61 0.00 -1.25 -4.91 121.76 119.94 3kkl s ALA 22 Ca 0.00 0.39 0.01 0.00 0.00 0.00 0.00 51.96 52.35 3kkl s ALA 22 Cb 0.00 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 3kkl s ALA 22 CO 0.00 -1.14 0.00 0.15 0.00 0.00 0.00 175.76 174.77 3kkl s LYS 23 N -4.32 2.85 0.00 0.00 3.01 -1.26 -2.89 119.74 117.13 3kkl s LYS 23 Ca 0.64 -0.55 0.00 0.00 -1.01 0.00 0.00 55.97 55.04 3kkl s LYS 23 Cb -0.17 -2.71 0.00 0.00 -1.01 0.00 0.00 37.83 33.94 3kkl s LYS 23 CO 0.43 0.65 0.00 0.25 0.51 0.00 0.00 175.35 177.19 3kkl n THR 24 N 1.60 0.00 0.00 2.17 -2.24 -1.26 0.90 114.28 115.45 3kkl n THR 24 Ca -0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3kkl n THR 24 Cb 0.53 -1.13 0.00 0.00 -2.10 0.00 0.00 70.33 67.63 3kkl n THR 24 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kkl n GLY 25 N 2.90 0.50 3.48 3.38 0.00 -1.20 -3.12 105.19 111.12 3kkl n GLY 25 Ca 0.00 -1.38 -0.33 0.00 0.00 0.00 0.00 46.02 44.30 3kkl n GLY 25 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kkl s VAL 26 N -4.00 3.61 -0.11 1.61 -7.23 -0.36 -3.15 120.40 110.77 3kkl s VAL 26 Ca 0.00 -0.47 -0.29 0.00 -1.81 0.00 0.00 61.98 59.41 3kkl s VAL 26 Cb 0.00 -2.54 -0.05 0.00 0.56 0.00 0.00 36.38 34.35 3kkl s VAL 26 CO 0.00 0.52 1.76 -0.36 -0.31 0.00 0.00 175.10 176.71 3kkl s PHE 27 N 0.14 1.81 0.24 2.82 0.40 -1.17 -3.40 117.98 118.82 3kkl s PHE 27 Ca -0.03 0.24 0.01 0.00 -0.60 0.00 0.00 56.93 56.54 3kkl s PHE 27 Cb -0.14 -4.00 0.28 0.00 0.51 0.00 0.00 43.02 39.67 3kkl s PHE 27 CO 0.03 -3.86 1.62 0.28 0.70 0.00 0.00 175.22 173.99 3kkl h VAL 28 N 5.96 1.30 -0.21 -0.44 2.07 -1.93 -3.21 116.25 119.79 3kkl h VAL 28 Ca -0.39 -1.56 0.06 0.00 0.82 0.00 0.00 66.70 65.62 3kkl h VAL 28 Cb 1.19 1.59 -0.07 0.00 -1.52 0.00 0.00 31.29 32.48 3kkl h VAL 28 CO 0.97 0.49 -0.34 0.58 0.02 0.00 0.00 177.57 179.28 3kkl h VAL 29 N 0.39 0.24 -0.44 2.57 2.07 -1.95 -2.72 116.25 116.41 3kkl h VAL 29 Ca 0.03 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.60 3kkl h VAL 29 Cb 0.88 0.24 -0.08 0.00 -1.52 0.00 0.00 31.29 30.82 3kkl h VAL 29 CO 0.07 0.00 -0.49 -0.33 0.02 0.00 0.00 177.57 176.84 3kkl h GLU 30 N -0.37 -0.28 -0.15 1.57 5.08 -1.86 -2.20 114.58 116.36 3kkl h GLU 30 Ca 0.11 0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.39 3kkl h GLU 30 Cb 0.56 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 3kkl h GLU 30 CO -0.42 -0.19 -0.36 -0.84 -1.00 0.00 0.00 179.01 176.21 3kkl h ILE 31 N -0.29 1.29 0.96 3.13 3.07 -1.67 -0.67 117.51 123.34 3kkl h ILE 31 Ca 0.08 -1.42 -0.05 0.00 1.55 0.00 0.00 64.86 65.02 3kkl h ILE 31 Cb 0.49 1.57 0.01 0.00 -0.27 0.00 0.00 36.82 38.62 3kkl h ILE 31 CO -0.57 0.43 -0.46 -0.07 -1.05 0.00 0.00 178.15 176.43 3kkl h LEU 32 N 0.27 -1.10 -0.67 0.16 3.38 -1.12 0.20 115.31 116.44 3kkl h LEU 32 Ca 0.03 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.06 3kkl h LEU 32 Cb 0.76 0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 3kkl h LEU 32 CO 0.06 -0.76 0.42 0.03 0.09 0.00 0.00 178.44 178.28 3kkl h ARG 33 N -1.35 0.81 0.16 1.13 3.08 -1.26 0.32 114.38 117.27 3kkl h ARG 33 Ca -0.13 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.86 3kkl h ARG 33 Cb 0.99 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.86 3kkl h ARG 33 CO 0.22 0.54 -0.08 1.03 -1.07 0.00 0.00 179.97 180.61 3kkl h SER 34 N 0.83 -0.18 -0.43 7.04 0.87 -1.08 -0.00 113.55 120.60 3kkl h SER 34 Ca 0.26 -0.05 0.06 0.00 -1.23 0.00 0.00 61.79 60.84 3kkl h SER 34 Cb -0.01 0.05 -0.06 0.00 -0.44 0.00 0.00 62.40 61.94 3kkl h SER 34 CO -0.09 -0.06 0.11 0.15 -0.53 0.00 0.00 176.83 176.40 3kkl h PHE 35 N -0.28 0.18 0.28 2.24 3.04 -0.23 0.19 116.94 122.36 3kkl h PHE 35 Ca -0.02 0.02 0.01 0.00 3.98 0.00 0.00 57.97 61.96 3kkl h PHE 35 Cb 0.22 -0.02 -0.03 0.00 2.56 0.00 0.00 35.95 38.68 3kkl h PHE 35 CO -0.05 0.04 -0.37 -0.44 -2.02 0.00 0.00 178.31 175.47 3kkl h ASP 36 N 0.25 -1.02 -0.90 0.41 3.45 -0.16 0.37 116.42 118.82 3kkl h ASP 36 Ca 0.21 0.10 0.01 0.00 0.43 0.00 0.00 57.03 57.78 3kkl h ASP 36 Cb 0.24 0.36 -0.05 0.00 -0.56 0.00 0.00 39.33 39.33 3kkl h ASP 36 CO -0.26 -0.49 0.60 0.74 -1.57 0.00 0.00 179.24 178.27 3kkl h THR 37 N -0.70 1.23 -0.20 0.35 2.02 -0.77 0.68 112.91 115.52 3kkl h THR 37 Ca -0.01 -0.42 -0.02 0.00 0.77 0.00 0.00 66.41 66.74 3kkl h THR 37 Cb 0.66 -0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 3kkl h THR 37 CO -0.12 0.22 0.06 -0.26 0.37 0.00 0.00 175.52 175.79 3kkl h PHE 38 N 1.22 0.33 -0.02 3.16 0.04 0.09 -2.78 116.94 118.98 3kkl h PHE 38 Ca 0.33 -0.04 -0.00 0.00 2.80 0.00 0.00 57.97 61.07 3kkl h PHE 38 Cb -0.13 -0.10 -0.00 0.00 2.20 0.00 0.00 35.95 37.92 3kkl h PHE 38 CO -0.00 0.42 0.01 0.93 -0.60 0.00 0.00 178.31 179.06 3kkl h GLU 39 N 0.15 0.02 0.00 1.51 4.39 0.77 -1.54 114.58 119.88 3kkl h GLU 39 Ca 0.07 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.76 3kkl h GLU 39 Cb 0.24 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 3kkl h GLU 39 CO -0.00 0.20 0.38 1.17 -1.16 0.00 0.00 179.01 179.60 3kkl n LYS 40 N -4.99 0.04 -0.13 2.33 4.81 0.23 -1.01 118.16 119.44 3kkl n LYS 40 Ca -0.07 0.40 0.07 0.00 -0.87 0.00 0.00 58.31 57.84 3kkl n LYS 40 Cb 0.11 -2.01 0.09 0.00 0.02 0.00 0.00 35.03 33.25 3kkl n LYS 40 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 3kkl n HIS 41 N -1.65 0.00 -0.42 5.64 8.25 -0.92 -4.99 115.22 121.13 3kkl n HIS 41 Ca -0.00 -0.74 0.00 0.00 -0.26 0.00 0.00 57.72 56.72 3kkl n HIS 41 Cb 0.39 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.39 3kkl n HIS 41 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kkl n GLY 42 N -1.03 0.84 3.50 -1.41 0.00 -0.18 -5.07 105.19 101.84 3kkl n GLY 42 Ca 0.11 -0.41 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 3kkl n GLY 42 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kkl s PHE 43 N -2.00 2.98 -0.27 1.61 0.40 -0.63 -4.54 117.98 115.53 3kkl s PHE 43 Ca 0.00 -0.27 -0.29 0.00 -0.60 0.00 0.00 56.93 55.77 3kkl s PHE 43 Cb 0.00 -1.89 0.01 0.00 0.51 0.00 0.00 43.02 41.65 3kkl s PHE 43 CO 0.00 0.03 1.11 -1.21 0.70 0.00 0.00 175.22 175.85 3kkl s GLU 44 N 0.08 4.14 -0.19 0.44 0.41 -0.32 -3.98 118.70 119.28 3kkl s GLU 44 Ca -0.01 1.25 -0.06 0.00 -0.41 0.00 0.00 54.97 55.73 3kkl s GLU 44 Cb -0.14 -3.72 -0.04 0.00 -1.78 0.00 0.00 34.13 28.46 3kkl s GLU 44 CO 0.03 -0.81 0.04 0.08 -0.49 0.00 0.00 175.26 174.11 3kkl s VAL 45 N 3.55 4.48 0.20 2.63 1.01 -1.26 -1.51 120.40 129.50 3kkl s VAL 45 Ca 0.47 -0.14 0.08 0.00 0.00 0.00 0.00 61.98 62.39 3kkl s VAL 45 Cb -0.15 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 3kkl s VAL 45 CO 0.13 0.45 0.00 -1.81 0.00 0.00 0.00 175.10 173.87 3kkl s ASP 46 N 0.59 4.72 0.28 3.32 1.01 -0.62 -4.80 116.67 121.18 3kkl s ASP 46 Ca 0.02 -0.47 0.07 0.00 0.71 0.00 0.00 52.55 52.88 3kkl s ASP 46 Cb -0.13 -0.97 -0.03 0.00 1.01 0.00 0.00 42.92 42.79 3kkl s ASP 46 CO 0.02 0.06 0.27 -0.36 0.21 0.00 0.00 175.17 175.37 3kkl s PHE 47 N -1.92 3.09 -0.06 4.23 0.40 -1.26 -0.98 117.98 121.49 3kkl s PHE 47 Ca 0.29 -0.17 -0.22 0.00 -0.60 0.00 0.00 56.93 56.23 3kkl s PHE 47 Cb -0.08 -1.60 0.05 0.00 0.51 0.00 0.00 43.02 41.90 3kkl s PHE 47 CO 0.19 0.36 0.50 0.54 0.70 0.00 0.00 175.22 177.51 3kkl s VAL 48 N -2.17 0.02 0.23 -0.44 0.11 -0.54 -1.78 120.40 115.83 3kkl s VAL 48 Ca 0.37 -0.20 0.00 0.00 -2.93 0.00 0.00 61.98 59.22 3kkl s VAL 48 Cb -0.08 -0.79 -0.05 0.00 -1.53 0.00 0.00 36.38 33.94 3kkl s VAL 48 CO 0.27 -0.11 0.10 -0.94 -3.33 0.00 0.00 175.10 171.09 3kkl s SER 49 N -0.99 0.79 0.28 3.54 1.04 -0.32 -0.76 113.70 117.29 3kkl s SER 49 Ca -0.10 -1.37 0.01 0.00 0.48 0.00 0.00 55.95 54.97 3kkl s SER 49 Cb -0.03 0.24 0.56 0.00 0.10 0.00 0.00 66.02 66.90 3kkl s SER 49 CO 0.06 -0.76 1.82 -0.08 0.98 0.00 0.00 173.24 175.26 3kkl h GLU 50 N 2.50 0.90 -0.01 4.02 4.57 -1.86 0.16 114.58 124.87 3kkl h GLU 50 Ca -0.37 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.75 3kkl h GLU 50 Cb 1.24 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.63 3kkl h GLU 50 CO 0.58 0.60 -0.38 0.25 -1.18 0.00 0.00 179.01 178.88 3kkl n THR 51 N -4.66 0.00 0.00 0.32 -2.24 -1.26 -3.47 114.28 102.97 3kkl n THR 51 Ca 0.19 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 3kkl n THR 51 Cb 0.38 1.18 0.00 0.00 -2.10 0.00 0.00 70.33 69.79 3kkl n THR 51 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kkl n GLY 52 N 1.18 2.68 4.00 3.38 0.00 -0.78 -4.68 105.19 110.97 3kkl n GLY 52 Ca 0.06 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.91 3kkl n GLY 52 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kkl s GLY 53 N -1.76 1.87 0.05 -0.02 0.00 -1.26 -4.70 107.32 101.49 3kkl s GLY 53 Ca 0.00 -1.60 -0.28 0.00 0.00 0.00 0.00 44.72 42.85 3kkl s GLY 53 CO 0.00 -1.43 0.99 -0.11 0.00 0.00 0.00 173.10 172.56 3kkl s PHE 54 N -2.35 -0.20 0.20 1.90 -0.71 -1.26 -4.37 117.98 111.20 3kkl s PHE 54 Ca 0.53 -0.00 0.03 0.00 -1.04 0.00 0.00 56.93 56.44 3kkl s PHE 54 Cb -0.10 0.58 -0.05 0.00 -1.21 0.00 0.00 43.02 42.24 3kkl s PHE 54 CO 0.33 -0.61 -0.00 0.20 -1.34 0.00 0.00 175.22 173.79 3kkl s GLY 55 N -2.72 1.38 -0.14 1.99 0.00 -1.26 -4.97 107.32 101.60 3kkl s GLY 55 Ca 0.10 -1.67 -0.27 0.00 0.00 0.00 0.00 44.72 42.88 3kkl s GLY 55 CO -0.03 -1.60 0.89 -0.98 0.00 0.00 0.00 173.10 171.38 3kkl s TRP 56 N -3.53 3.47 -0.20 1.90 0.52 -1.26 -1.22 118.94 118.62 3kkl s TRP 56 Ca 0.26 1.39 -0.39 0.00 0.02 0.00 0.00 56.10 57.38 3kkl s TRP 56 Cb 0.06 -3.07 -0.15 0.00 -1.15 0.00 0.00 33.47 29.15 3kkl s TRP 56 CO 0.06 -0.21 1.70 -3.47 0.02 0.00 0.00 176.95 175.05 3kkl n ASP 57 N 5.05 2.41 -0.21 2.95 4.64 -1.22 -4.68 116.55 125.50 3kkl n ASP 57 Ca 0.06 1.07 0.13 0.00 -1.38 0.00 0.00 54.79 54.67 3kkl n ASP 57 Cb 0.49 -1.18 0.45 0.00 -1.04 0.00 0.00 41.12 39.84 3kkl n ASP 57 CO 0.00 0.00 0.00 -0.33 -0.82 0.00 0.00 177.20 176.05 3kkl h GLU 58 N 7.03 0.53 0.00 -0.67 5.08 0.37 0.85 114.58 127.77 3kkl h GLU 58 Ca -0.47 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 3kkl h GLU 58 Cb 1.31 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.45 3kkl h GLU 58 CO 0.93 0.35 0.01 0.72 -1.00 0.00 0.00 179.01 180.02 3kkl n HIS 59 N -4.51 0.00 -1.48 4.33 8.25 -1.26 -5.02 115.22 115.53 3kkl n HIS 59 Ca 0.15 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.64 3kkl n HIS 59 Cb 0.49 -0.19 -0.02 0.00 1.12 0.00 0.00 29.99 31.39 3kkl n HIS 59 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 3kkl n TYR 60 N -1.18 -3.63 0.00 4.41 9.36 0.29 -5.17 117.16 121.25 3kkl n TYR 60 Ca 0.00 1.97 0.00 0.00 3.32 0.00 0.00 57.90 63.19 3kkl n TYR 60 Cb 0.01 -3.09 0.00 0.00 -0.63 0.00 0.00 39.34 35.63 3kkl n TYR 60 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 3kkl n PHE 81 N -2.87 0.00 0.26 2.98 7.35 -1.26 -4.94 117.46 118.98 3kkl n PHE 81 Ca -0.02 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.78 3kkl n PHE 81 Cb 0.45 0.00 0.70 0.00 0.35 0.00 0.00 39.48 40.98 3kkl n PHE 81 CO 0.00 0.00 0.00 -0.91 -0.76 0.00 0.00 176.76 175.09 3kkl h ASN 82 N 0.00 0.00 0.00 -2.13 2.35 -2.02 -0.73 115.58 113.04 3kkl h ASN 82 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3kkl h ASN 82 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3kkl h ASN 82 CO 0.00 0.11 0.00 0.29 -1.65 0.00 0.00 177.43 176.18 3kkl n LYS 83 N -3.87 0.00 -0.24 0.81 5.02 -1.26 -0.11 118.16 118.52 3kkl n LYS 83 Ca -0.02 0.35 0.15 0.00 -2.02 0.00 0.00 58.31 56.77 3kkl n LYS 83 Cb 0.21 -1.29 0.29 0.00 -0.02 0.00 0.00 35.03 34.22 3kkl n LYS 83 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kkl n ALA 84 N -1.45 0.51 0.15 7.82 0.00 -1.15 0.90 120.51 127.28 3kkl n ALA 84 Ca 0.00 0.75 -0.00 0.00 0.00 0.00 0.00 53.44 54.19 3kkl n ALA 84 Cb 0.00 -0.62 0.22 0.00 0.00 0.00 0.00 19.45 19.05 3kkl n ALA 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3kkl h LEU 85 N 0.00 0.02 -0.57 0.00 7.12 -0.94 -2.05 115.31 118.89 3kkl h LEU 85 Ca 0.50 -0.01 -0.16 0.00 0.13 0.00 0.00 57.88 58.34 3kkl h LEU 85 Cb 1.17 -0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 41.28 3kkl h LEU 85 CO -0.62 0.56 -0.62 0.00 -0.13 0.00 0.00 178.44 177.62 3kkl h ALA 86 N 1.44 0.76 -0.39 1.25 0.00 0.41 -3.07 119.26 119.66 3kkl h ALA 86 Ca -0.00 -0.55 -0.07 0.00 0.00 0.00 0.00 54.91 54.28 3kkl h ALA 86 Cb 0.97 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 3kkl h ALA 86 CO 0.07 0.73 0.08 0.54 0.00 0.00 0.00 179.25 180.68 3kkl n ARG 87 N -3.88 2.93 -1.71 0.00 3.00 0.03 -4.96 116.66 112.08 3kkl n ARG 87 Ca -0.03 -1.81 -0.43 0.00 -0.01 0.00 0.00 57.85 55.57 3kkl n ARG 87 Cb 0.64 -1.89 -0.03 0.00 0.00 0.00 0.00 32.46 31.17 3kkl n ARG 87 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.63 179.14 3kkl n ILE 88 N 0.18 0.04 -3.21 0.55 0.00 -0.82 -4.81 119.36 111.29 3kkl n ILE 88 Ca 0.20 -0.01 -0.29 0.00 0.00 0.00 0.00 62.75 62.65 3kkl n ILE 88 Cb 0.89 -1.86 -0.03 0.00 0.00 0.00 0.00 39.64 38.63 3kkl n ILE 88 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 3kkl s LYS 89 N 1.04 3.68 -0.02 9.51 1.02 -0.74 -4.92 119.74 129.31 3kkl s LYS 89 Ca 0.76 0.14 -0.19 0.00 0.02 0.00 0.00 55.97 56.69 3kkl s LYS 89 Cb -0.55 -2.58 -0.05 0.00 -0.52 0.00 0.00 37.83 34.13 3kkl s LYS 89 CO 0.34 0.15 0.54 0.95 -0.92 0.00 0.00 175.35 176.41 3kkl s THR 90 N -2.16 4.97 0.48 2.17 -4.23 -1.26 -1.17 115.64 114.45 3kkl s THR 90 Ca 0.46 1.12 0.32 0.00 -1.18 0.00 0.00 61.69 62.41 3kkl s THR 90 Cb -0.11 -3.87 0.51 0.00 1.34 0.00 0.00 72.50 70.37 3kkl s THR 90 CO 0.30 0.43 1.73 0.00 -0.54 0.00 0.00 174.62 176.55 3kkl h ALA 91 N 5.65 2.87 0.00 3.99 0.00 -1.02 0.12 119.26 130.87 3kkl h ALA 91 Ca -0.46 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3kkl h ALA 91 Cb 1.20 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3kkl h ALA 91 CO 0.69 -1.31 0.00 -0.97 0.00 0.00 0.00 179.25 177.66 3kkl h ASN 92 N 0.13 0.00 -0.02 0.00 -0.73 -1.87 -2.99 115.58 110.10 3kkl h ASN 92 Ca 0.67 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.84 3kkl h ASN 92 Cb 2.27 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.86 3kkl h ASN 92 CO -0.17 0.00 -0.10 -1.84 -0.37 0.00 0.00 177.43 174.95 3kkl n GLU 93 N -2.59 1.44 -3.00 6.67 0.28 0.41 -4.98 120.64 118.87 3kkl n GLU 93 Ca 0.00 -1.29 -0.39 0.00 -0.16 0.00 0.00 57.16 55.32 3kkl n GLU 93 Cb 0.20 -1.31 -0.06 0.00 1.43 0.00 0.00 31.44 31.70 3kkl n GLU 93 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 3kkl s VAL 94 N -1.55 4.39 -0.63 3.84 1.01 -1.13 -5.01 120.40 121.32 3kkl s VAL 94 Ca 0.18 1.67 -0.17 0.00 0.00 0.00 0.00 61.98 63.66 3kkl s VAL 94 Cb 0.14 -4.12 0.14 0.00 0.00 0.00 0.00 36.38 32.53 3kkl s VAL 94 CO 0.27 0.52 0.65 0.21 0.00 0.00 0.00 175.10 176.75 3kkl s ASN 95 N -1.15 6.31 0.29 3.32 3.84 -1.26 -4.95 114.94 121.33 3kkl s ASN 95 Ca 0.35 -1.84 0.03 0.00 0.21 0.00 0.00 52.86 51.61 3kkl s ASN 95 Cb -0.23 -2.25 0.67 0.00 -0.55 0.00 0.00 41.25 38.89 3kkl s ASN 95 CO 0.26 -0.91 1.74 0.00 -2.79 0.00 0.00 177.10 175.40 3kkl h ALA 96 N 8.80 1.46 0.00 1.71 0.00 -1.95 -1.84 119.26 127.43 3kkl h ALA 96 Ca -0.21 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3kkl h ALA 96 Cb 1.08 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3kkl h ALA 96 CO 1.01 -0.18 0.00 -1.13 0.00 0.00 0.00 179.25 178.96 3kkl n SER 97 N -4.91 0.00 0.16 0.00 3.41 -1.26 -1.83 113.62 109.20 3kkl n SER 97 Ca 0.21 -0.53 0.12 0.00 -0.26 0.00 0.00 58.87 58.41 3kkl n SER 97 Cb 0.56 0.00 0.27 0.00 -0.26 0.00 0.00 64.21 64.79 3kkl n SER 97 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3kkl h ASP 98 N 0.00 0.00 -3.88 4.04 3.32 -1.76 -3.47 116.42 114.67 3kkl h ASP 98 Ca 0.00 -0.01 -0.68 0.00 0.02 0.00 0.00 57.03 56.36 3kkl h ASP 98 Cb 0.00 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 39.34 3kkl h ASP 98 CO 0.00 0.00 -0.83 -0.31 -1.72 0.00 0.00 179.24 176.38 3kkl s TYR 99 N -3.16 2.44 -0.04 4.55 2.02 -0.76 -4.56 117.35 117.84 3kkl s TYR 99 Ca 0.08 -0.32 0.19 0.00 -0.37 0.00 0.00 57.07 56.66 3kkl s TYR 99 Cb 0.09 -1.33 -0.30 0.00 -0.40 0.00 0.00 41.96 40.02 3kkl s TYR 99 CO 0.64 0.33 0.40 1.63 -1.57 0.00 0.00 175.55 176.98 3kkl n LYS 100 N 1.03 0.62 -3.80 -0.62 5.02 0.17 -4.88 118.16 115.70 3kkl n LYS 100 Ca -0.17 -0.17 -0.13 0.00 -2.02 0.00 0.00 58.31 55.82 3kkl n LYS 100 Cb 0.53 -1.46 -0.14 0.00 -0.02 0.00 0.00 35.03 33.93 3kkl n LYS 100 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3kkl s VAL 101 N -3.29 -0.03 -0.19 -0.18 1.01 -1.15 -1.25 120.40 115.33 3kkl s VAL 101 Ca -0.07 0.11 -0.03 0.00 0.00 0.00 0.00 61.98 61.99 3kkl s VAL 101 Cb 0.12 -0.15 -0.01 0.00 0.00 0.00 0.00 36.38 36.34 3kkl s VAL 101 CO 0.80 0.04 -0.07 0.12 0.00 0.00 0.00 175.10 176.00 3kkl s PHE 102 N 0.65 2.92 -0.25 5.22 5.36 -0.36 0.18 117.98 131.71 3kkl s PHE 102 Ca -0.05 -0.84 0.03 0.00 -0.96 0.00 0.00 56.93 55.11 3kkl s PHE 102 Cb -0.07 -2.02 0.05 0.00 -0.34 0.00 0.00 43.02 40.65 3kkl s PHE 102 CO -0.03 -0.43 -0.12 0.12 -1.46 0.00 0.00 175.22 173.30 3kkl s PHE 103 N 1.09 3.15 -0.57 10.12 5.36 0.12 -0.16 117.98 137.08 3kkl s PHE 103 Ca 0.01 -2.20 -0.22 0.00 -0.96 0.00 0.00 56.93 53.56 3kkl s PHE 103 Cb -0.15 -1.91 0.06 0.00 -0.34 0.00 0.00 43.02 40.69 3kkl s PHE 103 CO -0.01 -0.86 0.84 0.00 -1.46 0.00 0.00 175.22 173.73 3kkl s ALA 104 N 1.14 3.23 0.81 11.12 0.00 0.13 -0.91 121.76 137.28 3kkl s ALA 104 Ca -0.07 -1.63 -0.12 0.00 0.00 0.00 0.00 51.96 50.14 3kkl s ALA 104 Cb -0.19 -3.65 0.08 0.00 0.00 0.00 0.00 23.12 19.36 3kkl s ALA 104 CO -0.06 -2.39 1.13 -1.54 0.00 0.00 0.00 175.76 172.90 3kkl s SER 105 N 3.11 4.49 0.00 0.00 1.04 -0.57 -1.43 113.70 120.34 3kkl s SER 105 Ca 0.22 1.02 0.00 0.00 0.48 0.00 0.00 55.95 57.67 3kkl s SER 105 Cb -0.17 -1.65 0.00 0.00 0.10 0.00 0.00 66.02 64.30 3kkl s SER 105 CO 0.14 -1.94 0.00 0.00 0.98 0.00 0.00 173.24 172.41 3kkl n ALA 106 N -3.38 0.00 0.00 5.32 0.00 -1.26 -4.31 120.51 116.88 3kkl n ALA 106 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3kkl n ALA 106 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 3kkl n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kkl n GLY 107 N 1.21 2.56 0.25 0.00 0.00 -1.26 -3.05 105.19 104.90 3kkl n GLY 107 Ca 0.00 -1.98 0.17 0.00 0.00 0.00 0.00 46.02 44.20 3kkl n GLY 107 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3kkl h HIS 108 N 0.00 0.00 -1.37 1.61 3.86 -1.98 -2.14 115.15 115.13 3kkl h HIS 108 Ca 0.00 0.00 0.40 0.00 -1.16 0.00 0.00 60.37 59.61 3kkl h HIS 108 Cb 0.00 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.40 3kkl h HIS 108 CO 0.00 0.00 0.97 0.78 0.86 0.00 0.00 177.93 180.54 3kkl h GLY 109 N 1.67 0.22 2.00 2.45 0.00 -1.79 0.43 103.07 108.05 3kkl h GLY 109 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 3kkl h GLY 109 CO 0.00 -0.05 -0.05 0.00 0.00 0.00 0.00 176.54 176.44 3kkl h ALA 110 N 1.35 1.08 -0.09 3.60 0.00 -1.62 -1.98 119.26 121.60 3kkl h ALA 110 Ca 0.68 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.51 3kkl h ALA 110 Cb 2.59 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 20.36 3kkl h ALA 110 CO -0.07 0.06 -0.08 -0.07 0.00 0.00 0.00 179.25 179.09 3kkl h LEU 111 N 0.00 0.12 0.06 0.00 3.38 -1.11 -2.10 115.31 115.66 3kkl h LEU 111 Ca -0.00 -0.02 -0.35 0.00 0.09 0.00 0.00 57.88 57.60 3kkl h LEU 111 Cb 0.35 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 3kkl h LEU 111 CO 0.01 0.23 -1.96 0.49 0.09 0.00 0.00 178.44 177.30 3kkl n PHE 112 N -4.36 0.87 -0.05 1.13 3.01 -0.75 -4.75 117.46 112.56 3kkl n PHE 112 Ca -0.01 0.24 -0.21 0.00 1.01 0.00 0.00 57.45 58.47 3kkl n PHE 112 Cb 0.20 -1.11 -0.13 0.00 -0.01 0.00 0.00 39.48 38.44 3kkl n PHE 112 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 3kkl n ASP 113 N -3.75 2.05 -0.27 4.37 5.75 -1.17 -4.61 116.55 118.92 3kkl n ASP 113 Ca -0.37 0.16 0.06 0.00 -0.01 0.00 0.00 54.79 54.64 3kkl n ASP 113 Cb 0.93 -0.77 0.21 0.00 -1.03 0.00 0.00 41.12 40.46 3kkl n ASP 113 CO 0.00 0.00 0.00 1.88 -0.11 0.00 0.00 177.20 178.97 3kkl h TYR 114 N -0.15 0.58 0.00 2.11 -1.99 -1.63 0.24 116.97 116.13 3kkl h TYR 114 Ca -0.47 0.04 -0.02 0.00 2.00 0.00 0.00 58.73 60.28 3kkl h TYR 114 Cb 1.89 -0.13 -0.00 0.00 2.00 0.00 0.00 36.73 40.48 3kkl h TYR 114 CO 0.06 0.07 -0.09 -1.35 -0.00 0.00 0.00 178.16 176.85 3kkl h PRO 115 N 0.47 0.00 -0.18 4.88 0.11 -1.73 -2.54 132.00 133.00 3kkl h PRO 115 Ca 0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.55 3kkl h PRO 115 Cb 0.68 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.79 3kkl h PRO 115 CO -0.41 0.09 0.00 1.63 -0.21 0.00 0.00 178.00 179.10 3kkl n LYS 116 N -3.79 2.61 -1.09 1.05 5.02 0.56 -4.79 118.16 117.74 3kkl n LYS 116 Ca -0.02 -2.29 -0.30 0.00 -2.02 0.00 0.00 58.31 53.68 3kkl n LYS 116 Cb 0.19 -1.44 -0.04 0.00 -0.02 0.00 0.00 35.03 33.72 3kkl n LYS 116 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kkl n ALA 117 N -0.38 6.52 -0.21 7.82 0.00 0.41 -4.76 120.51 129.91 3kkl n ALA 117 Ca 0.13 -2.83 0.10 0.00 0.00 0.00 0.00 53.44 50.85 3kkl n ALA 117 Cb 0.58 -3.12 0.20 0.00 0.00 0.00 0.00 19.45 17.11 3kkl n ALA 117 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kkl n LYS 118 N 3.60 -0.05 0.10 0.00 4.01 -1.26 -1.13 118.16 123.43 3kkl n LYS 118 Ca 0.63 0.92 -0.21 0.00 -0.51 0.00 0.00 58.31 59.15 3kkl n LYS 118 Cb 0.29 -1.49 -0.13 0.00 -0.51 0.00 0.00 35.03 33.19 3kkl n LYS 118 CO 0.00 0.00 0.00 -0.91 -1.11 0.00 0.00 177.40 175.38 3kkl h ASN 119 N 0.00 0.79 -0.48 4.39 2.35 -1.94 -1.84 115.58 118.85 3kkl h ASN 119 Ca 0.39 -0.75 -0.08 0.00 -0.55 0.00 0.00 56.30 55.31 3kkl h ASN 119 Cb 0.84 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.94 3kkl h ASN 119 CO -0.57 1.57 0.01 -0.07 -1.65 0.00 0.00 177.43 176.71 3kkl h LEU 120 N 0.22 0.86 -0.85 1.61 3.38 -1.64 -2.03 115.31 116.86 3kkl h LEU 120 Ca -0.19 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.54 3kkl h LEU 120 Cb 1.95 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 42.43 3kkl h LEU 120 CO 0.24 0.92 0.44 1.56 0.09 0.00 0.00 178.44 181.68 3kkl h GLN 121 N 0.83 1.21 -0.56 1.13 4.20 -1.11 -1.78 115.11 119.03 3kkl h GLN 121 Ca 0.16 -0.16 -0.05 0.00 0.06 0.00 0.00 58.65 58.65 3kkl h GLN 121 Cb 0.48 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 3kkl h GLN 121 CO 0.02 0.91 0.16 0.22 -0.67 0.00 0.00 178.83 179.47 3kkl h ASP 122 N 1.21 0.84 -0.31 1.46 1.82 -0.96 -0.47 116.42 120.00 3kkl h ASP 122 Ca 0.30 -0.22 -0.00 0.00 -0.39 0.00 0.00 57.03 56.71 3kkl h ASP 122 Cb 0.08 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 39.86 3kkl h ASP 122 CO -0.04 0.84 0.18 0.40 -1.61 0.00 0.00 179.24 179.01 3kkl h ILE 123 N 0.80 1.12 -0.32 2.25 2.04 -1.00 -2.37 117.51 120.03 3kkl h ILE 123 Ca 0.18 -0.28 -0.03 0.00 1.00 0.00 0.00 64.86 65.72 3kkl h ILE 123 Cb 0.31 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 3kkl h ILE 123 CO -0.00 0.12 0.07 0.00 0.00 0.00 0.00 178.15 178.33 3kkl h ALA 124 N 1.06 0.42 -0.94 1.87 0.00 -1.08 -1.55 119.26 119.04 3kkl h ALA 124 Ca 0.11 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 54.98 3kkl h ALA 124 Cb 0.03 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 17.60 3kkl h ALA 124 CO -0.02 0.10 0.55 0.77 0.00 0.00 0.00 179.25 180.65 3kkl h SER 125 N 0.35 0.74 0.27 0.00 0.02 -0.94 -0.74 113.55 113.25 3kkl h SER 125 Ca 0.10 0.08 -0.27 0.00 -0.84 0.00 0.00 61.79 60.85 3kkl h SER 125 Cb 0.32 -0.06 0.02 0.00 0.14 0.00 0.00 62.40 62.81 3kkl h SER 125 CO 0.00 0.34 -1.14 0.11 -1.14 0.00 0.00 176.83 175.00 3kkl h LYS 126 N 0.80 0.51 -0.70 3.45 1.57 -0.95 0.13 116.57 121.38 3kkl h LYS 126 Ca 0.50 -0.65 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 3kkl h LYS 126 Cb 0.64 0.21 -0.03 0.00 0.08 0.00 0.00 32.23 33.13 3kkl h LYS 126 CO -0.33 1.27 0.39 0.82 -0.57 0.00 0.00 179.45 181.03 3kkl h ILE 127 N 0.24 1.21 0.03 1.86 2.04 -1.04 -1.39 117.51 120.46 3kkl h ILE 127 Ca -0.14 -0.52 -0.00 0.00 1.00 0.00 0.00 64.86 65.19 3kkl h ILE 127 Cb 1.81 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 38.18 3kkl h ILE 127 CO 0.21 0.23 -0.01 0.22 0.00 0.00 0.00 178.15 178.80 3kkl h TYR 128 N 0.96 -0.04 -0.07 1.37 5.03 -1.00 0.16 116.97 123.38 3kkl h TYR 128 Ca 0.25 -0.00 0.02 0.00 2.58 0.00 0.00 58.73 61.58 3kkl h TYR 128 Cb 0.03 0.01 -0.00 0.00 1.55 0.00 0.00 36.73 38.32 3kkl h TYR 128 CO -0.01 0.31 0.30 0.00 -1.32 0.00 0.00 178.16 177.44 3kkl h ALA 129 N 0.57 1.44 -0.58 1.82 0.00 -0.50 0.90 119.26 122.90 3kkl h ALA 129 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kkl h ALA 129 Cb 0.36 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3kkl h ALA 129 CO 0.01 -0.33 0.00 0.09 0.00 0.00 0.00 179.25 179.01 3kkl n ASN 130 N -3.10 4.16 0.00 0.00 5.03 -0.54 -4.90 115.26 115.91 3kkl n ASN 130 Ca -0.01 -2.35 0.00 0.00 0.87 0.00 0.00 54.58 53.09 3kkl n ASN 130 Cb 0.37 -0.53 0.00 0.00 -1.02 0.00 0.00 39.78 38.60 3kkl n ASN 130 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3kkl n GLY 131 N 1.09 0.54 3.96 7.41 0.00 0.31 -5.05 105.19 113.44 3kkl n GLY 131 Ca 0.23 -0.48 -0.28 0.00 0.00 0.00 0.00 46.02 45.48 3kkl n GLY 131 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kkl s GLY 132 N -2.44 1.80 -0.11 -0.02 0.00 0.53 -4.98 107.32 102.09 3kkl s GLY 132 Ca 0.00 -1.48 -0.04 0.00 0.00 0.00 0.00 44.72 43.19 3kkl s GLY 132 CO 0.00 -0.72 0.05 0.14 0.00 0.00 0.00 173.10 172.57 3kkl s VAL 133 N -3.71 4.75 -0.21 1.40 1.01 -0.38 -4.47 120.40 118.79 3kkl s VAL 133 Ca 0.74 -0.07 -0.10 0.00 0.00 0.00 0.00 61.98 62.54 3kkl s VAL 133 Cb -0.03 -3.05 -0.05 0.00 0.00 0.00 0.00 36.38 33.25 3kkl s VAL 133 CO 0.51 0.58 0.13 -0.63 0.00 0.00 0.00 175.10 175.70 3kkl s ILE 134 N -0.67 5.37 0.17 2.22 1.01 -0.62 -1.22 121.20 127.46 3kkl s ILE 134 Ca 0.12 0.18 0.07 0.00 0.00 0.00 0.00 60.65 61.01 3kkl s ILE 134 Cb -0.12 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 3kkl s ILE 134 CO 0.02 0.42 -0.14 0.00 0.00 0.00 0.00 174.94 175.24 3kkl s ALA 135 N 0.53 1.76 -0.16 9.38 0.00 0.78 -0.92 121.76 133.13 3kkl s ALA 135 Ca 0.08 -1.51 -0.28 0.00 0.00 0.00 0.00 51.96 50.24 3kkl s ALA 135 Cb -0.12 -0.07 0.09 0.00 0.00 0.00 0.00 23.12 23.03 3kkl s ALA 135 CO -0.00 0.06 0.83 0.00 0.00 0.00 0.00 175.76 176.65 3kkl s ALA 136 N -2.71 -1.85 0.13 0.00 0.00 -0.64 0.20 121.76 116.89 3kkl s ALA 136 Ca 0.17 1.63 0.09 0.00 0.00 0.00 0.00 51.96 53.86 3kkl s ALA 136 Cb -0.02 -0.68 -0.04 0.00 0.00 0.00 0.00 23.12 22.39 3kkl s ALA 136 CO 0.04 -0.32 -0.23 0.42 0.00 0.00 0.00 175.76 175.68 3kkl s ILE 137 N -0.60 1.97 0.00 0.00 1.01 -0.51 -1.96 121.20 121.11 3kkl s ILE 137 Ca -0.04 -1.74 0.00 0.00 0.00 0.00 0.00 60.65 58.88 3kkl s ILE 137 Cb -0.02 -1.81 0.00 0.00 0.01 0.00 0.00 42.46 40.64 3kkl s ILE 137 CO 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 174.94 174.90 3kkl n HIS 139 N 7.53 0.12 -0.35 0.00 8.25 -1.26 -0.35 115.22 129.16 3kkl n HIS 139 Ca 0.00 -0.06 0.12 0.00 -0.26 0.00 0.00 57.72 57.52 3kkl n HIS 139 Cb 0.00 0.00 0.30 0.00 1.12 0.00 0.00 29.99 31.41 3kkl n HIS 139 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3kkl h GLY 140 N 5.16 1.75 2.00 -1.41 0.00 0.14 -1.64 103.07 109.07 3kkl h GLY 140 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3kkl h GLY 140 CO 0.00 -0.02 0.00 -2.55 0.00 0.00 0.00 176.54 173.97 3kkl h PRO 141 N 0.80 0.00 -0.17 4.80 0.11 -1.78 -0.56 132.00 135.20 3kkl h PRO 141 Ca 0.56 0.00 0.05 0.00 0.11 0.00 0.00 66.00 66.72 3kkl h PRO 141 Cb 0.82 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.92 3kkl h PRO 141 CO -0.36 0.00 0.14 -0.07 -0.21 0.00 0.00 178.00 177.49 3kkl h LEU 142 N 0.00 0.00 -2.55 2.35 3.38 -1.63 0.63 115.31 117.49 3kkl h LEU 142 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3kkl h LEU 142 Cb 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 3kkl h LEU 142 CO 0.00 0.00 0.14 0.25 0.09 0.00 0.00 178.44 178.92 3kkl h LEU 143 N 0.00 0.00 0.00 1.67 6.46 -1.27 0.43 115.31 122.60 3kkl h LEU 143 Ca 0.08 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.84 3kkl h LEU 143 Cb 0.35 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.28 3kkl h LEU 143 CO -0.00 0.00 0.00 0.49 -0.62 0.00 0.00 178.44 178.31 3kkl n PHE 144 N -3.15 0.00 -1.83 1.25 3.72 0.21 -4.55 117.46 113.12 3kkl n PHE 144 Ca -0.02 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.95 3kkl n PHE 144 Cb 0.21 -0.47 -0.03 0.00 -0.94 0.00 0.00 39.48 38.25 3kkl n PHE 144 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3kkl s ASP 145 N -2.93 6.09 -1.20 4.37 -1.08 0.14 -1.75 116.67 120.31 3kkl s ASP 145 Ca 0.13 1.98 -0.18 0.00 -0.52 0.00 0.00 52.55 53.96 3kkl s ASP 145 Cb 0.16 -2.52 -0.00 0.00 -1.46 0.00 0.00 42.92 39.09 3kkl s ASP 145 CO 0.43 -1.44 0.72 0.61 0.52 0.00 0.00 175.17 176.01 3kkl n GLY 146 N 5.00 -0.83 3.30 2.66 0.00 -1.26 -4.90 105.19 109.16 3kkl n GLY 146 Ca 0.23 0.38 -0.35 0.00 0.00 0.00 0.00 46.02 46.28 3kkl n GLY 146 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kkl s LEU 147 N -6.66 2.83 -0.20 0.99 0.20 -0.72 -5.07 118.68 110.05 3kkl s LEU 147 Ca 0.39 -0.41 -0.16 0.00 0.69 0.00 0.00 54.13 54.64 3kkl s LEU 147 Cb -0.15 -1.71 -0.04 0.00 -0.43 0.00 0.00 46.19 43.86 3kkl s LEU 147 CO 0.88 -0.01 0.41 -0.63 -0.29 0.00 0.00 176.35 176.71 3kkl s ILE 148 N 1.41 5.19 -0.32 6.68 -1.09 -1.26 -0.05 121.20 131.76 3kkl s ILE 148 Ca 0.05 0.73 -0.28 0.00 -2.23 0.00 0.00 60.65 58.92 3kkl s ILE 148 Cb -0.14 -3.74 -0.03 0.00 -1.58 0.00 0.00 42.46 36.97 3kkl s ILE 148 CO -0.04 0.24 1.90 -0.62 -1.23 0.00 0.00 174.94 175.20 3kkl s ASP 149 N 1.05 5.75 0.29 3.58 3.68 0.17 -4.64 116.67 126.55 3kkl s ASP 149 Ca 0.20 1.39 0.11 0.00 2.13 0.00 0.00 52.55 56.38 3kkl s ASP 149 Cb -0.15 -2.52 0.42 0.00 -1.45 0.00 0.00 42.92 39.22 3kkl s ASP 149 CO 0.08 -1.80 1.65 0.40 0.13 0.00 0.00 175.17 175.63 3kkl h ILE 150 N 6.90 1.41 0.21 4.11 1.08 -1.84 1.13 117.51 130.51 3kkl h ILE 150 Ca -0.35 -1.98 0.00 0.00 -0.39 0.00 0.00 64.86 62.15 3kkl h ILE 150 Cb 1.18 2.07 -0.04 0.00 -3.07 0.00 0.00 36.82 36.96 3kkl h ILE 150 CO 1.02 0.56 -0.48 0.50 -0.69 0.00 0.00 178.15 179.07 3kkl h LYS 151 N 0.00 -0.73 0.00 2.37 3.64 -1.92 -3.21 116.57 116.71 3kkl h LYS 151 Ca -0.01 0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 3kkl h LYS 151 Cb 1.02 0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 33.00 3kkl h LYS 151 CO 0.07 -0.49 -0.42 1.79 -2.27 0.00 0.00 179.45 178.13 3kkl h THR 152 N -0.76 0.07 0.00 1.00 1.35 -1.94 -3.47 112.91 109.16 3kkl h THR 152 Ca -0.02 -1.11 0.00 0.00 -0.55 0.00 0.00 66.41 64.73 3kkl h THR 152 Cb 0.73 1.86 0.00 0.00 -1.73 0.00 0.00 68.15 69.01 3kkl h THR 152 CO -0.21 0.04 0.00 1.07 -0.25 0.00 0.00 175.52 176.17 3kkl n THR 153 N -2.96 0.00 -4.22 6.82 5.66 0.39 -5.01 114.28 114.96 3kkl n THR 153 Ca 0.02 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.75 3kkl n THR 153 Cb 0.56 -0.18 -0.06 0.00 -1.55 0.00 0.00 70.33 69.10 3kkl n THR 153 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 3kkl s ARG 154 N -0.35 2.21 0.10 1.09 0.52 -1.19 -4.84 118.95 116.50 3kkl s ARG 154 Ca 0.00 -2.00 -0.36 0.00 -0.52 0.00 0.00 55.73 52.85 3kkl s ARG 154 Cb 0.00 -1.90 -0.16 0.00 0.52 0.00 0.00 34.95 33.41 3kkl s ARG 154 CO 0.00 -0.27 1.40 -2.30 0.02 0.00 0.00 175.30 174.15 3kkl n PRO 155 N -1.34 1.40 -0.32 3.54 -0.02 -1.26 0.42 135.00 137.42 3kkl n PRO 155 Ca -0.05 0.51 0.13 0.00 -2.02 0.00 0.00 63.50 62.07 3kkl n PRO 155 Cb 0.65 -2.18 0.31 0.00 -0.02 0.00 0.00 33.50 32.26 3kkl n PRO 155 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3kkl h LEU 156 N 4.91 0.53 -0.52 2.45 6.46 -0.72 -1.05 115.31 127.36 3kkl h LEU 156 Ca -0.47 0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.42 3kkl h LEU 156 Cb 1.31 0.06 0.00 0.00 -0.73 0.00 0.00 40.66 41.30 3kkl h LEU 156 CO 0.81 0.11 0.00 2.30 -0.62 0.00 0.00 178.44 181.04 3kkl n ILE 157 N -4.93 0.14 -1.98 4.05 -5.35 -1.26 -4.85 119.36 105.18 3kkl n ILE 157 Ca 0.23 -0.17 -0.42 0.00 -0.27 0.00 0.00 62.75 62.11 3kkl n ILE 157 Cb 0.62 0.04 -0.03 0.00 -1.74 0.00 0.00 39.64 38.54 3kkl n ILE 157 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 3kkl s GLU 158 N -1.86 4.24 -1.16 6.28 -6.30 -0.40 -1.33 118.70 118.16 3kkl s GLU 158 Ca 0.22 2.31 0.00 0.00 -2.50 0.00 0.00 54.97 55.00 3kkl s GLU 158 Cb 0.11 -3.17 0.00 0.00 0.00 0.00 0.00 34.13 31.07 3kkl s GLU 158 CO 0.17 -0.57 0.00 0.41 0.02 0.00 0.00 175.26 175.30 3kkl n GLY 159 N 3.63 1.14 3.88 -1.50 0.00 0.33 -4.93 105.19 107.74 3kkl n GLY 159 Ca 0.13 -0.19 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 3kkl n GLY 159 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kkl s LYS 160 N -2.77 3.18 -0.08 1.61 -0.14 -0.45 -4.94 119.74 116.16 3kkl s LYS 160 Ca 0.00 -0.75 -0.10 0.00 -1.36 0.00 0.00 55.97 53.76 3kkl s LYS 160 Cb 0.00 -2.80 -0.05 0.00 -1.68 0.00 0.00 37.83 33.30 3kkl s LYS 160 CO 0.00 0.49 0.24 0.00 -0.76 0.00 0.00 175.35 175.33 3kkl s ALA 161 N -1.78 3.80 0.01 5.17 0.00 -1.26 -0.40 121.76 127.30 3kkl s ALA 161 Ca 0.33 -0.48 -0.04 0.00 0.00 0.00 0.00 51.96 51.77 3kkl s ALA 161 Cb -0.10 -2.14 -0.01 0.00 0.00 0.00 0.00 23.12 20.87 3kkl s ALA 161 CO 0.26 0.54 0.06 0.96 0.00 0.00 0.00 175.76 177.58 3kkl s ILE 162 N -0.97 0.10 0.00 0.00 -0.00 -0.64 -4.63 121.20 115.06 3kkl s ILE 162 Ca 0.18 -0.85 0.00 0.00 -0.00 0.00 0.00 60.65 59.98 3kkl s ILE 162 Cb -0.14 -0.43 0.00 0.00 -0.00 0.00 0.00 42.46 41.90 3kkl s ILE 162 CO 0.07 -0.47 0.00 0.35 -0.00 0.00 0.00 174.94 174.90 3kkl n THR 163 N 1.41 0.00 0.00 8.37 -2.24 -1.26 -1.09 114.28 119.48 3kkl n THR 163 Ca -0.23 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 3kkl n THR 163 Cb 0.56 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 3kkl n THR 163 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kkl n GLY 164 N 5.00 0.75 3.69 3.38 0.00 -1.25 -4.50 105.19 112.26 3kkl n GLY 164 Ca 0.00 -1.17 -0.42 0.00 0.00 0.00 0.00 46.02 44.43 3kkl n GLY 164 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kkl s PHE 165 N -2.00 2.33 0.51 1.61 2.19 0.53 -4.68 117.98 118.46 3kkl s PHE 165 Ca 0.00 0.21 -0.09 0.00 0.33 0.00 0.00 56.93 57.38 3kkl s PHE 165 Cb 0.00 -4.03 -0.05 0.00 -1.31 0.00 0.00 43.02 37.63 3kkl s PHE 165 CO 0.00 -4.18 0.87 -1.25 1.83 0.00 0.00 175.22 172.50 3kkl s PRO 166 N 2.68 3.67 0.32 10.12 0.04 -1.26 -4.38 135.00 146.18 3kkl s PRO 166 Ca 0.76 0.51 0.09 0.00 0.04 0.00 0.00 61.00 62.40 3kkl s PRO 166 Cb -0.42 -2.27 0.90 0.00 0.04 0.00 0.00 34.50 32.75 3kkl s PRO 166 CO 0.34 -0.27 1.69 1.25 0.04 0.00 0.00 177.00 180.04 3kkl h LEU 167 N 0.41 0.46 -1.67 -3.56 6.46 -2.00 0.28 115.31 115.70 3kkl h LEU 167 Ca -0.46 0.17 0.20 0.00 -0.12 0.00 0.00 57.88 57.67 3kkl h LEU 167 Cb 1.19 0.12 -0.05 0.00 -0.73 0.00 0.00 40.66 41.19 3kkl h LEU 167 CO 0.62 -0.03 0.58 -0.33 -0.62 0.00 0.00 178.44 178.66 3kkl h GLU 168 N 0.41 0.27 -0.17 1.25 3.07 -1.99 -0.60 114.58 116.82 3kkl h GLU 168 Ca 0.64 -0.02 -0.22 0.00 -0.50 0.00 0.00 59.36 59.27 3kkl h GLU 168 Cb 1.32 -0.06 0.01 0.00 -0.84 0.00 0.00 28.75 29.18 3kkl h GLU 168 CO -0.55 0.18 -0.74 0.78 -1.40 0.00 0.00 179.01 177.28 3kkl h GLY 169 N 0.28 0.88 1.03 -3.84 0.00 -0.81 -0.74 103.07 99.88 3kkl h GLY 169 Ca 0.43 -1.22 -0.05 0.00 0.00 0.00 0.00 47.33 46.49 3kkl h GLY 169 CO -0.12 1.09 0.26 0.83 0.00 0.00 0.00 176.54 178.60 3kkl h GLU 170 N 0.55 1.06 -0.25 4.80 4.39 -1.17 0.04 114.58 123.99 3kkl h GLU 170 Ca -0.04 -0.20 -0.05 0.00 0.34 0.00 0.00 59.36 59.40 3kkl h GLU 170 Cb 1.37 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.84 3kkl h GLU 170 CO 0.15 0.89 -0.03 -0.84 -1.16 0.00 0.00 179.01 178.03 3kkl h ILE 171 N 1.01 1.27 -0.96 3.13 -0.00 -1.12 0.24 117.51 121.08 3kkl h ILE 171 Ca 0.23 -0.98 0.17 0.00 -0.00 0.00 0.00 64.86 64.28 3kkl h ILE 171 Cb 0.24 1.41 -0.09 0.00 -0.00 0.00 0.00 36.82 38.38 3kkl h ILE 171 CO -0.02 0.31 0.61 0.00 -0.00 0.00 0.00 178.15 179.05 3kkl h ALA 172 N 0.79 1.77 -0.00 0.16 0.00 -0.98 -0.37 119.26 120.62 3kkl h ALA 172 Ca 0.07 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3kkl h ALA 172 Cb 0.47 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3kkl h ALA 172 CO 0.02 -0.07 -0.26 1.28 0.00 0.00 0.00 179.25 180.21 3kkl n LEU 173 N -4.64 0.27 0.00 0.00 4.77 -0.01 -4.92 117.00 112.46 3kkl n LEU 173 Ca 0.20 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 3kkl n LEU 173 Cb 0.53 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3kkl n LEU 173 CO 0.26 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 3kkl n GLY 174 N 1.50 3.16 0.00 -0.72 0.00 -0.12 -4.92 105.19 104.08 3kkl n GLY 174 Ca 0.06 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.15 3kkl n GLY 174 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3kkl n VAL 175 N -2.00 0.00 0.14 1.61 0.24 0.67 -3.72 118.33 115.27 3kkl n VAL 175 Ca 0.00 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.32 3kkl n VAL 175 Cb 0.00 -0.64 0.39 0.00 -1.47 0.00 0.00 33.84 32.12 3kkl n VAL 175 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 3kkl h ASP 176 N 0.00 0.16 -0.18 -1.34 2.03 -1.87 -1.56 116.42 113.66 3kkl h ASP 176 Ca 0.00 -0.04 -0.11 0.00 -0.73 0.00 0.00 57.03 56.16 3kkl h ASP 176 Cb 0.00 -0.04 -0.01 0.00 -0.83 0.00 0.00 39.33 38.44 3kkl h ASP 176 CO 0.00 0.37 -0.23 -2.24 -1.03 0.00 0.00 179.24 176.11 3kkl h ASP 177 N 0.15 0.64 -0.56 4.15 -0.00 -1.92 -2.33 116.42 116.55 3kkl h ASP 177 Ca 0.03 -0.22 0.06 0.00 -0.00 0.00 0.00 57.03 56.90 3kkl h ASP 177 Cb 0.45 -0.17 -0.05 0.00 -0.00 0.00 0.00 39.33 39.55 3kkl h ASP 177 CO 0.03 0.86 0.26 0.40 -0.00 0.00 0.00 179.24 180.79 3kkl h ILE 178 N 0.56 0.90 -0.48 4.15 5.03 -1.56 0.36 117.51 126.48 3kkl h ILE 178 Ca 0.08 -0.17 0.02 0.00 -0.12 0.00 0.00 64.86 64.67 3kkl h ILE 178 Cb 0.70 0.36 -0.03 0.00 -3.03 0.00 0.00 36.82 34.83 3kkl h ILE 178 CO 0.05 0.09 0.30 -0.07 -0.68 0.00 0.00 178.15 177.84 3kkl h LEU 179 N 0.49 0.49 0.21 1.44 3.38 -1.33 -0.39 115.31 119.61 3kkl h LEU 179 Ca 0.26 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 3kkl h LEU 179 Cb 0.21 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3kkl h LEU 179 CO -0.20 0.35 -0.10 0.03 0.09 0.00 0.00 178.44 178.61 3kkl h ARG 180 N 0.60 -0.27 -0.79 1.13 3.08 -0.77 0.56 114.38 117.91 3kkl h ARG 180 Ca 0.18 0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.28 3kkl h ARG 180 Cb -0.02 0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.05 3kkl h ARG 180 CO -0.07 -0.04 0.51 0.77 -1.07 0.00 0.00 179.97 180.07 3kkl h SER 181 N -0.47 0.84 -0.21 7.04 0.02 -0.28 -2.95 113.55 117.53 3kkl h SER 181 Ca -0.03 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 3kkl h SER 181 Cb 0.36 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.71 3kkl h SER 181 CO 0.05 0.59 0.00 0.54 -1.14 0.00 0.00 176.83 176.86 3kkl n ARG 182 N -4.59 1.94 -2.74 3.45 1.74 -0.16 -4.94 116.66 111.36 3kkl n ARG 182 Ca 0.09 -1.41 -0.20 0.00 -0.77 0.00 0.00 57.85 55.56 3kkl n ARG 182 Cb 0.08 -1.43 0.02 0.00 -1.02 0.00 0.00 32.46 30.11 3kkl n ARG 182 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3kkl n LYS 183 N 0.64 -3.41 -2.41 5.56 5.02 -0.68 -5.00 118.16 117.87 3kkl n LYS 183 Ca 0.17 0.85 -0.27 0.00 -2.02 0.00 0.00 58.31 57.04 3kkl n LYS 183 Cb 0.41 -5.47 0.03 0.00 -0.02 0.00 0.00 35.03 29.97 3kkl n LYS 183 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3kkl s LEU 184 N -5.80 3.29 0.00 -0.35 1.43 0.10 -5.04 118.68 112.30 3kkl s LEU 184 Ca 0.18 0.76 0.02 0.00 -1.03 0.00 0.00 54.13 54.06 3kkl s LEU 184 Cb -0.08 -3.61 0.02 0.00 0.03 0.00 0.00 46.19 42.55 3kkl s LEU 184 CO 0.22 -0.99 0.19 0.35 0.23 0.00 0.00 176.35 176.34 3kkl n THR 185 N -2.54 0.00 -4.56 5.49 -2.24 -1.26 -4.72 114.28 104.45 3kkl n THR 185 Ca 0.04 -0.84 -0.26 0.00 -2.27 0.00 0.00 64.05 60.72 3kkl n THR 185 Cb 0.57 -0.40 -0.11 0.00 -2.10 0.00 0.00 70.33 68.29 3kkl n THR 185 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3kkl s THR 186 N -0.95 2.00 0.28 4.28 -4.23 -1.26 -5.02 115.64 110.74 3kkl s THR 186 Ca 0.14 -2.09 0.01 0.00 -1.18 0.00 0.00 61.69 58.56 3kkl s THR 186 Cb -0.01 -2.79 0.28 0.00 1.34 0.00 0.00 72.50 71.32 3kkl s THR 186 CO 0.09 -0.11 1.83 0.58 -0.54 0.00 0.00 174.62 176.47 3kkl h VAL 187 N 1.95 0.91 -0.23 2.29 2.07 -1.93 -1.21 116.25 120.10 3kkl h VAL 187 Ca -0.43 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 66.74 3kkl h VAL 187 Cb 1.24 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 3kkl h VAL 187 CO 0.75 0.18 0.06 -0.33 0.02 0.00 0.00 177.57 178.24 3kkl h GLU 188 N 0.96 0.36 -0.66 1.57 5.08 -1.96 0.47 114.58 120.41 3kkl h GLU 188 Ca 0.49 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.76 3kkl h GLU 188 Cb 0.49 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 3kkl h GLU 188 CO -0.27 0.47 0.40 -0.09 -1.00 0.00 0.00 179.01 178.51 3kkl h ARG 189 N 0.19 0.89 -0.17 2.33 2.43 -1.90 -1.16 114.38 117.00 3kkl h ARG 189 Ca 0.07 -0.08 0.04 0.00 -0.81 0.00 0.00 59.98 59.20 3kkl h ARG 189 Cb 0.26 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 29.59 3kkl h ARG 189 CO -0.00 0.64 -0.08 0.28 -1.51 0.00 0.00 179.97 179.30 3kkl h VAL 190 N 0.90 0.75 -0.38 0.20 2.07 -0.82 0.29 116.25 119.26 3kkl h VAL 190 Ca 0.24 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.83 3kkl h VAL 190 Cb -0.03 0.75 -0.06 0.00 -1.52 0.00 0.00 31.29 30.42 3kkl h VAL 190 CO -0.04 0.00 -0.03 0.00 0.02 0.00 0.00 177.57 177.51 3kkl h ALA 191 N 1.09 0.31 -0.41 1.67 0.00 -0.65 -2.34 119.26 118.94 3kkl h ALA 191 Ca 0.09 0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.16 3kkl h ALA 191 Cb 0.20 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 3kkl h ALA 191 CO -0.21 -0.42 0.17 -0.97 0.00 0.00 0.00 179.25 177.83 3kkl h ASN 192 N 0.07 0.22 0.00 0.00 -1.24 -0.58 0.17 115.58 114.23 3kkl h ASN 192 Ca 0.18 0.03 0.00 0.00 0.71 0.00 0.00 56.30 57.23 3kkl h ASN 192 Cb 0.27 -0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.31 3kkl h ASN 192 CO -0.33 0.17 0.00 1.17 -1.29 0.00 0.00 177.43 177.14 3kkl n LYS 193 N -4.97 0.65 -0.37 6.67 4.81 0.97 -2.43 118.16 123.50 3kkl n LYS 193 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 3kkl n LYS 193 Cb 0.13 -1.03 0.00 0.00 0.02 0.00 0.00 35.03 34.14 3kkl n LYS 193 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3kkl n ASN 194 N -0.53 0.00 -1.73 3.14 3.02 -0.92 -4.86 115.26 113.38 3kkl n ASN 194 Ca 0.01 -1.46 -0.15 0.00 -0.03 0.00 0.00 54.58 52.94 3kkl n ASN 194 Cb 0.00 -0.09 -0.01 0.00 -0.61 0.00 0.00 39.78 39.07 3kkl n ASN 194 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kkl n GLY 195 N 0.00 -0.19 3.84 7.41 0.00 -1.02 -3.42 105.19 111.82 3kkl n GLY 195 Ca 0.00 -0.24 -0.22 0.00 0.00 0.00 0.00 46.02 45.56 3kkl n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kkl s ALA 196 N -2.76 3.69 -0.23 4.61 0.00 0.56 0.12 121.76 127.75 3kkl s ALA 196 Ca 0.00 -1.47 -0.08 0.00 0.00 0.00 0.00 51.96 50.41 3kkl s ALA 196 Cb 0.00 -1.30 -0.04 0.00 0.00 0.00 0.00 23.12 21.78 3kkl s ALA 196 CO 0.00 0.18 0.08 0.21 0.00 0.00 0.00 175.76 176.23 3kkl s LYS 197 N -3.90 3.80 -0.04 0.00 2.20 0.47 -4.10 119.74 118.17 3kkl s LYS 197 Ca 0.35 -0.41 -0.26 0.00 -0.36 0.00 0.00 55.97 55.29 3kkl s LYS 197 Cb -0.07 -3.32 -0.04 0.00 -1.51 0.00 0.00 37.83 32.89 3kkl s LYS 197 CO 0.26 -0.02 0.80 -0.47 -0.36 0.00 0.00 175.35 175.55 3kkl s TYR 198 N 1.19 3.61 -0.15 4.03 6.14 -1.26 -1.62 117.35 129.29 3kkl s TYR 198 Ca 0.05 1.41 0.01 0.00 0.64 0.00 0.00 57.07 59.18 3kkl s TYR 198 Cb -0.14 -2.91 0.02 0.00 0.42 0.00 0.00 41.96 39.34 3kkl s TYR 198 CO 0.04 0.06 -0.18 -0.51 0.64 0.00 0.00 175.55 175.60 3kkl s LEU 199 N 0.83 1.96 0.17 6.97 1.43 -0.25 -4.95 118.68 124.84 3kkl s LEU 199 Ca 0.42 -0.57 -0.23 0.00 -1.03 0.00 0.00 54.13 52.72 3kkl s LEU 199 Cb -0.19 -1.34 -0.08 0.00 0.03 0.00 0.00 46.19 44.61 3kkl s LEU 199 CO 0.22 0.01 0.74 0.00 0.23 0.00 0.00 176.35 177.54 3kkl s ALA 200 N 1.17 3.46 0.86 4.21 0.00 -1.26 -4.33 121.76 125.88 3kkl s ALA 200 Ca 0.00 0.27 -0.12 0.00 0.00 0.00 0.00 51.96 52.12 3kkl s ALA 200 Cb -0.14 -2.88 0.11 0.00 0.00 0.00 0.00 23.12 20.21 3kkl s ALA 200 CO -0.08 0.31 1.10 -1.25 0.00 0.00 0.00 175.76 175.85 3kkl s PRO 201 N -1.34 1.53 0.00 0.00 0.04 -1.26 -4.99 135.00 128.98 3kkl s PRO 201 Ca 0.37 0.60 -0.24 0.00 0.04 0.00 0.00 61.00 61.77 3kkl s PRO 201 Cb -0.21 -1.86 -0.18 0.00 0.04 0.00 0.00 34.50 32.29 3kkl s PRO 201 CO 0.24 -2.00 1.30 0.82 0.04 0.00 0.00 177.00 177.40 3kkl h ILE 202 N -1.36 1.37 -3.95 0.56 2.04 -1.98 -3.44 117.51 110.75 3kkl h ILE 202 Ca -0.49 -1.20 -0.69 0.00 1.00 0.00 0.00 64.86 63.48 3kkl h ILE 202 Cb 1.29 2.05 -0.22 0.00 -0.74 0.00 0.00 36.82 39.20 3kkl h ILE 202 CO 0.58 0.33 -0.76 -1.00 0.00 0.00 0.00 178.15 177.30 3kkl s HIS 203 N -4.28 2.71 0.53 1.37 3.76 -1.26 -5.01 115.29 113.11 3kkl s HIS 203 Ca -0.15 -0.15 0.37 0.00 -0.15 0.00 0.00 55.06 54.97 3kkl s HIS 203 Cb 0.03 -1.60 2.01 0.00 1.11 0.00 0.00 32.58 34.13 3kkl s HIS 203 CO 0.70 0.23 2.12 -1.35 -0.85 0.00 0.00 174.74 175.60 3kkl h PRO 204 N 5.06 0.00 -0.64 8.40 0.11 -1.93 0.12 132.00 143.12 3kkl h PRO 204 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3kkl h PRO 204 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3kkl h PRO 204 CO 0.50 0.00 0.00 0.91 -0.21 0.00 0.00 178.00 179.20 3kkl n TRP 205 N -2.88 1.11 -2.27 0.65 8.01 -1.26 -4.76 117.44 116.04 3kkl n TRP 205 Ca -0.02 -0.56 -0.39 0.00 -1.31 0.00 0.00 57.50 55.21 3kkl n TRP 205 Cb 0.15 -0.11 -0.03 0.00 -2.01 0.00 0.00 31.31 29.32 3kkl n TRP 205 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 3kkl s ASP 206 N -1.00 6.77 -0.27 -0.99 -0.00 0.42 -4.89 116.67 116.71 3kkl s ASP 206 Ca 0.46 2.44 -0.29 0.00 -0.00 0.00 0.00 52.55 55.17 3kkl s ASP 206 Cb 0.27 -2.63 -0.02 0.00 -0.00 0.00 0.00 42.92 40.54 3kkl s ASP 206 CO 0.27 -0.51 1.70 -0.62 -0.00 0.00 0.00 175.17 176.01 3kkl s ASP 207 N -0.86 6.17 -0.14 0.27 -1.08 -1.26 -4.65 116.67 115.11 3kkl s ASP 207 Ca 0.52 1.48 -0.15 0.00 -0.52 0.00 0.00 52.55 53.87 3kkl s ASP 207 Cb -0.34 -2.53 0.04 0.00 -1.46 0.00 0.00 42.92 38.63 3kkl s ASP 207 CO 0.44 -1.46 0.41 -0.47 0.52 0.00 0.00 175.17 174.61 3kkl s TYR 208 N 5.93 -0.43 -0.02 -5.34 6.04 -1.26 -4.96 117.35 117.30 3kkl s TYR 208 Ca 0.75 1.02 -0.26 0.00 0.04 0.00 0.00 57.07 58.62 3kkl s TYR 208 Cb -0.24 0.16 0.06 0.00 -1.04 0.00 0.00 41.96 40.89 3kkl s TYR 208 CO 0.32 -0.25 0.57 -1.12 -1.54 0.00 0.00 175.55 173.53 3kkl s SER 209 N 0.01 -0.52 -0.00 4.32 0.01 -1.26 -1.87 113.70 114.39 3kkl s SER 209 Ca -0.02 0.47 0.00 0.00 1.31 0.00 0.00 55.95 57.72 3kkl s SER 209 Cb -0.03 0.48 0.00 0.00 0.21 0.00 0.00 66.02 66.68 3kkl s SER 209 CO 0.01 -0.60 -0.01 -0.63 0.41 0.00 0.00 173.24 172.43 3kkl s ILE 210 N -1.48 0.06 -0.22 1.44 -1.09 0.46 -4.97 121.20 115.40 3kkl s ILE 210 Ca -0.10 -0.01 -0.03 0.00 -2.23 0.00 0.00 60.65 58.28 3kkl s ILE 210 Cb -0.01 -0.08 0.00 0.00 -1.58 0.00 0.00 42.46 40.79 3kkl s ILE 210 CO 0.06 0.03 -0.07 -0.89 -1.23 0.00 0.00 174.94 172.85 3kkl s THR 211 N 0.11 3.10 -0.51 2.92 2.01 -1.26 -1.44 115.64 120.57 3kkl s THR 211 Ca -0.01 -0.65 0.03 0.00 0.31 0.00 0.00 61.69 61.37 3kkl s THR 211 Cb -0.02 -2.43 0.15 0.00 0.01 0.00 0.00 72.50 70.21 3kkl s THR 211 CO -0.00 0.40 0.32 -0.62 -0.69 0.00 0.00 174.62 174.02 3kkl s ASP 212 N 1.43 3.76 1.39 3.53 -1.08 0.18 -5.01 116.67 120.87 3kkl s ASP 212 Ca 0.05 -3.05 0.00 0.00 -0.52 0.00 0.00 52.55 49.03 3kkl s ASP 212 Cb -0.14 -1.20 0.00 0.00 -1.46 0.00 0.00 42.92 40.11 3kkl s ASP 212 CO -0.05 -0.20 0.00 0.61 0.52 0.00 0.00 175.17 176.05 3kkl n GLY 213 N 2.99 2.94 1.41 2.66 0.00 -1.26 -1.79 105.19 112.13 3kkl n GLY 213 Ca 0.14 -0.25 0.08 0.00 0.00 0.00 0.00 46.02 45.99 3kkl n GLY 213 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kkl n LYS 214 N 12.78 3.91 -3.91 1.61 4.76 -1.26 -4.84 118.16 131.22 3kkl n LYS 214 Ca 0.00 -2.97 -0.35 0.00 -2.87 0.00 0.00 58.31 52.12 3kkl n LYS 214 Cb 0.00 -2.03 -0.14 0.00 -1.84 0.00 0.00 35.03 31.03 3kkl n LYS 214 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3kkl s LEU 215 N -2.65 3.19 -0.10 -0.35 2.96 -0.74 -1.58 118.68 119.42 3kkl s LEU 215 Ca 0.48 -0.67 0.02 0.00 -0.22 0.00 0.00 54.13 53.74 3kkl s LEU 215 Cb 0.37 -1.73 0.01 0.00 0.50 0.00 0.00 46.19 45.34 3kkl s LEU 215 CO 0.14 -0.10 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.23 3kkl s VAL 216 N 1.41 1.38 0.10 1.68 1.01 -0.09 -0.65 120.40 125.25 3kkl s VAL 216 Ca 0.03 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.44 3kkl s VAL 216 Cb -0.16 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 3kkl s VAL 216 CO -0.03 0.42 -0.06 0.42 0.00 0.00 0.00 175.10 175.85 3kkl s THR 217 N 0.91 0.66 0.08 3.92 -4.23 -0.52 -1.63 115.64 114.83 3kkl s THR 217 Ca -0.09 -1.93 -0.10 0.00 -1.18 0.00 0.00 61.69 58.39 3kkl s THR 217 Cb -0.15 -1.72 0.00 0.00 1.34 0.00 0.00 72.50 71.97 3kkl s THR 217 CO 0.00 -0.84 0.21 -0.83 -0.54 0.00 0.00 174.62 172.63 3kkl s GLY 218 N -3.05 0.04 0.02 3.99 0.00 -0.83 -0.40 107.32 107.09 3kkl s GLY 218 Ca 0.13 -0.47 -0.10 0.00 0.00 0.00 0.00 44.72 44.28 3kkl s GLY 218 CO -0.04 -0.66 0.95 -2.08 0.00 0.00 0.00 173.10 171.27 3kkl h VAL 219 N 2.90 1.24 -2.72 1.40 2.07 -1.65 -2.05 116.25 117.44 3kkl h VAL 219 Ca -0.33 -2.76 0.09 0.00 0.82 0.00 0.00 66.70 64.52 3kkl h VAL 219 Cb 1.20 2.93 -0.02 0.00 -1.52 0.00 0.00 31.29 33.88 3kkl h VAL 219 CO 0.53 0.84 0.47 0.54 0.02 0.00 0.00 177.57 179.97 3kkl s ASN 220 N -7.34 0.01 0.32 0.57 2.20 -1.26 -2.39 114.94 107.04 3kkl s ASN 220 Ca -0.09 -0.86 0.07 0.00 -0.94 0.00 0.00 52.86 51.04 3kkl s ASN 220 Cb 0.05 0.63 0.78 0.00 -2.00 0.00 0.00 41.25 40.72 3kkl s ASN 220 CO 0.90 -1.26 1.79 0.00 -2.94 0.00 0.00 177.10 175.59 3kkl h ALA 221 N 2.00 1.74 -0.22 3.54 0.00 -1.96 -0.76 119.26 123.61 3kkl h ALA 221 Ca -0.29 0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.74 3kkl h ALA 221 Cb 1.23 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 3kkl h ALA 221 CO 0.38 -0.10 0.30 -0.91 0.00 0.00 0.00 179.25 178.92 3kkl h ASN 222 N 0.73 0.00 -0.19 0.00 2.35 -1.90 -0.96 115.58 115.61 3kkl h ASN 222 Ca 0.56 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.31 3kkl h ASN 222 Cb 0.92 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.29 3kkl h ASN 222 CO -0.34 0.00 0.00 -1.20 -1.65 0.00 0.00 177.43 174.24 3kkl n SER 223 N -3.58 2.28 -0.21 5.81 7.64 -0.29 -4.50 113.62 120.76 3kkl n SER 223 Ca 0.03 -1.79 -0.05 0.00 1.01 0.00 0.00 58.87 58.06 3kkl n SER 223 Cb 0.42 -0.12 0.05 0.00 -1.01 0.00 0.00 64.21 63.55 3kkl n SER 223 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3kkl h SER 224 N 3.14 0.67 0.12 6.43 0.02 -1.22 0.19 113.55 122.90 3kkl h SER 224 Ca 0.00 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 3kkl h SER 224 Cb 0.68 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.06 3kkl h SER 224 CO 0.00 0.48 -0.06 0.22 -1.14 0.00 0.00 176.83 176.33 3kkl h TYR 225 N 0.80 -0.16 -0.82 3.45 3.20 -1.80 -1.80 116.97 119.85 3kkl h TYR 225 Ca 0.23 -0.00 0.20 0.00 3.14 0.00 0.00 58.73 62.30 3kkl h TYR 225 Cb -0.05 0.05 -0.13 0.00 1.54 0.00 0.00 36.73 38.13 3kkl h TYR 225 CO -0.04 0.24 0.13 0.77 -1.64 0.00 0.00 178.16 177.63 3kkl h SER 226 N -0.60 -0.14 0.31 -2.11 0.02 -1.77 0.20 113.55 109.45 3kkl h SER 226 Ca -0.02 0.19 -0.24 0.00 -0.84 0.00 0.00 61.79 60.89 3kkl h SER 226 Cb 0.47 0.29 0.01 0.00 0.14 0.00 0.00 62.40 63.30 3kkl h SER 226 CO 0.03 -0.15 -0.98 0.74 -1.14 0.00 0.00 176.83 175.33 3kkl h THR 227 N 0.17 1.39 0.07 -2.27 2.02 -0.53 0.33 112.91 114.09 3kkl h THR 227 Ca 0.48 -2.46 -0.28 0.00 0.77 0.00 0.00 66.41 64.92 3kkl h THR 227 Cb 0.91 2.45 0.02 0.00 -1.74 0.00 0.00 68.15 69.79 3kkl h THR 227 CO -0.65 0.74 -1.15 0.71 0.37 0.00 0.00 175.52 175.54 3kkl h THR 228 N 0.24 1.31 -0.40 3.16 1.35 -0.94 -1.13 112.91 116.50 3kkl h THR 228 Ca -0.09 -2.43 0.08 0.00 -0.55 0.00 0.00 66.41 63.42 3kkl h THR 228 Cb 1.62 2.58 -0.07 0.00 -1.73 0.00 0.00 68.15 70.55 3kkl h THR 228 CO 0.17 0.74 -0.04 0.40 -0.25 0.00 0.00 175.52 176.54 3kkl h ILE 229 N 0.30 0.66 -0.88 6.82 1.08 -0.41 -0.23 117.51 124.85 3kkl h ILE 229 Ca -0.15 -0.02 0.18 0.00 -0.39 0.00 0.00 64.86 64.48 3kkl h ILE 229 Cb 1.81 0.59 -0.11 0.00 -3.07 0.00 0.00 36.82 36.05 3kkl h ILE 229 CO 0.22 0.01 0.44 0.03 -0.69 0.00 0.00 178.15 178.16 3kkl h ARG 230 N 0.06 0.53 -0.24 2.37 3.08 -0.26 -1.01 114.38 118.91 3kkl h ARG 230 Ca 0.20 -0.03 -0.17 0.00 0.07 0.00 0.00 59.98 60.04 3kkl h ARG 230 Cb 0.29 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.22 3kkl h ARG 230 CO -0.36 0.35 -0.52 0.00 -1.07 0.00 0.00 179.97 178.37 3kkl h ALA 231 N 1.63 0.38 -0.43 0.04 0.00 -0.51 0.10 119.26 120.47 3kkl h ALA 231 Ca 0.51 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3kkl h ALA 231 Cb 0.84 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3kkl h ALA 231 CO -0.43 0.58 0.28 0.82 0.00 0.00 0.00 179.25 180.50 3kkl h ILE 232 N 0.51 1.12 -0.55 0.00 2.04 -0.64 -2.65 117.51 117.35 3kkl h ILE 232 Ca 0.00 -0.23 -0.06 0.00 1.00 0.00 0.00 64.86 65.57 3kkl h ILE 232 Cb 1.14 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 3kkl h ILE 232 CO 0.12 0.12 0.12 0.78 0.00 0.00 0.00 178.15 179.28 3kkl h ASN 233 N 0.58 0.84 0.02 1.72 2.35 -0.98 -2.93 115.58 117.18 3kkl h ASN 233 Ca 0.16 -0.24 -0.00 0.00 -0.55 0.00 0.00 56.30 55.67 3kkl h ASN 233 Cb -0.05 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.10 3kkl h ASN 233 CO -0.03 0.86 -0.01 0.00 -1.65 0.00 0.00 177.43 176.60 3kkl h ALA 234 N 1.01 1.57 -0.33 -0.83 0.00 -0.61 -1.95 119.26 118.11 3kkl h ALA 234 Ca 0.17 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3kkl h ALA 234 Cb 0.36 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3kkl h ALA 234 CO 0.00 0.01 0.13 1.25 0.00 0.00 0.00 179.25 180.65 3kkl h LEU 235 N 0.00 0.41 -1.62 0.00 6.46 -1.28 -2.66 115.31 116.63 3kkl h LEU 235 Ca -0.00 -0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.72 3kkl h LEU 235 Cb 0.02 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 39.85 3kkl h LEU 235 CO 0.00 0.38 0.00 -1.22 -0.62 0.00 0.00 178.44 176.98 3kkl n TYR 236 N -4.41 0.18 1.94 1.25 4.02 -0.74 -5.02 117.16 114.39 3kkl n TYR 236 Ca 0.02 -0.09 0.16 0.00 -0.01 0.00 0.00 57.90 57.97 3kkl n TYR 236 Cb 0.13 0.00 0.90 0.00 -0.02 0.00 0.00 39.34 40.35 3kkl n TYR 236 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72