#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kkl s PRO 3 N 0.00 0.07 -0.54 -2.82 0.02 -1.26 -4.88 135.00 125.59 3kkl s PRO 3 Ca 0.00 0.87 -0.27 0.00 0.02 0.00 0.00 61.00 61.62 3kkl s PRO 3 Cb 0.00 -1.67 0.03 0.00 0.02 0.00 0.00 34.50 32.89 3kkl s PRO 3 CO 0.00 -3.07 1.09 0.15 -0.33 0.00 0.00 177.00 174.84 3kkl s LYS 4 N -4.69 3.50 -0.10 5.54 1.02 -1.26 -4.89 119.74 118.86 3kkl s LYS 4 Ca 0.66 0.15 0.03 0.00 0.02 0.00 0.00 55.97 56.84 3kkl s LYS 4 Cb -0.22 -4.00 0.00 0.00 -0.52 0.00 0.00 37.83 33.10 3kkl s LYS 4 CO 0.61 -1.54 -0.21 1.03 -0.92 0.00 0.00 175.35 174.32 3kkl s ARG 5 N 4.49 2.76 -0.03 1.68 0.52 -1.26 0.09 118.95 127.20 3kkl s ARG 5 Ca 0.40 -0.77 0.06 0.00 -0.52 0.00 0.00 55.73 54.89 3kkl s ARG 5 Cb -0.09 -2.14 -0.02 0.00 0.52 0.00 0.00 34.95 33.21 3kkl s ARG 5 CO 0.25 0.10 -0.21 0.00 0.02 0.00 0.00 175.30 175.47 3kkl s ALA 6 N 0.52 2.39 -0.14 2.13 0.00 0.09 -0.31 121.76 126.45 3kkl s ALA 6 Ca -0.15 -1.06 -0.01 0.00 0.00 0.00 0.00 51.96 50.73 3kkl s ALA 6 Cb -0.17 -0.74 -0.02 0.00 0.00 0.00 0.00 23.12 22.19 3kkl s ALA 6 CO 0.06 0.54 -0.10 -1.17 0.00 0.00 0.00 175.76 175.09 3kkl s LEU 7 N -0.68 2.91 -0.23 0.00 2.96 0.14 -2.16 118.68 121.61 3kkl s LEU 7 Ca 0.11 -0.25 -0.05 0.00 -0.22 0.00 0.00 54.13 53.72 3kkl s LEU 7 Cb -0.10 -1.67 -0.01 0.00 0.50 0.00 0.00 46.19 44.91 3kkl s LEU 7 CO -0.00 0.17 -0.00 -0.63 -1.32 0.00 0.00 176.35 174.57 3kkl s ILE 8 N 0.31 3.65 0.16 6.68 1.01 0.12 -0.39 121.20 132.74 3kkl s ILE 8 Ca -0.08 -0.44 -0.11 0.00 0.00 0.00 0.00 60.65 60.03 3kkl s ILE 8 Cb -0.15 -2.70 -0.07 0.00 0.01 0.00 0.00 42.46 39.56 3kkl s ILE 8 CO 0.05 0.37 0.50 -0.94 0.00 0.00 0.00 174.94 174.92 3kkl s SER 9 N 1.51 6.67 0.29 3.58 1.04 0.25 -1.75 113.70 125.30 3kkl s SER 9 Ca 0.06 0.91 0.10 0.00 0.48 0.00 0.00 55.95 57.50 3kkl s SER 9 Cb -0.15 -2.22 -0.05 0.00 0.10 0.00 0.00 66.02 63.70 3kkl s SER 9 CO -0.01 0.05 -0.08 -0.76 0.98 0.00 0.00 173.24 173.41 3kkl s LEU 10 N -2.34 2.90 0.27 2.42 1.02 -0.20 -1.42 118.68 121.33 3kkl s LEU 10 Ca 0.41 -0.88 -0.29 0.00 0.02 0.00 0.00 54.13 53.39 3kkl s LEU 10 Cb -0.13 -1.38 -0.10 0.00 0.02 0.00 0.00 46.19 44.60 3kkl s LEU 10 CO 0.20 -0.03 1.27 0.28 0.02 0.00 0.00 176.35 178.09 3kkl s THR 11 N -2.44 3.05 -1.26 5.49 -1.32 -1.26 -4.48 115.64 113.42 3kkl s THR 11 Ca 0.31 0.98 0.25 0.00 -1.21 0.00 0.00 61.69 62.02 3kkl s THR 11 Cb -0.04 -3.62 0.03 0.00 -1.51 0.00 0.00 72.50 67.35 3kkl s THR 11 CO 0.18 0.20 1.34 -1.54 -2.21 0.00 0.00 174.62 172.59 3kkl n SER 12 N 1.55 0.82 -4.65 8.08 3.41 -1.26 -4.55 113.62 117.02 3kkl n SER 12 Ca 0.02 -0.62 -0.42 0.00 -0.26 0.00 0.00 58.87 57.59 3kkl n SER 12 Cb 0.43 0.36 -0.04 0.00 -0.26 0.00 0.00 64.21 64.70 3kkl n SER 12 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 3kkl s TYR 13 N -2.84 3.34 -0.51 7.33 5.04 -1.26 -4.40 117.35 124.05 3kkl s TYR 13 Ca 0.14 1.22 0.06 0.00 -2.44 0.00 0.00 57.07 56.05 3kkl s TYR 13 Cb 0.18 -3.08 0.22 0.00 0.35 0.00 0.00 41.96 39.63 3kkl s TYR 13 CO 0.68 -0.38 0.53 1.58 -1.34 0.00 0.00 175.55 176.62 3kkl n HIS 14 N 5.88 1.07 -3.87 4.97 -0.00 -1.26 -3.87 115.22 118.13 3kkl n HIS 14 Ca 0.06 -3.77 -0.04 0.00 -0.00 0.00 0.00 57.72 53.98 3kkl n HIS 14 Cb 0.48 -0.30 -0.01 0.00 -0.00 0.00 0.00 29.99 30.15 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 1.68 3.38 3.59 1.57 0.00 -1.24 -4.89 105.19 109.28 3kkl n GLY 15 Ca 0.25 -1.57 -0.47 0.00 0.00 0.00 0.00 46.02 44.23 3kkl n GLY 15 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kkl n PRO 16 N -0.13 1.34 0.08 1.61 -0.01 -1.26 -0.86 135.00 135.78 3kkl n PRO 16 Ca 0.01 0.48 0.00 0.00 -0.01 0.00 0.00 63.50 63.98 3kkl n PRO 16 Cb 0.13 -1.97 0.00 0.00 -0.01 0.00 0.00 33.50 31.65 3kkl n PRO 16 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 175.50 175.83 3kkl n PHE 17 N 1.23 -2.25 0.11 6.00 7.35 -1.24 -4.76 117.46 123.90 3kkl n PHE 17 Ca 0.13 0.45 -0.13 0.00 -0.76 0.00 0.00 57.45 57.14 3kkl n PHE 17 Cb 0.28 1.27 -0.06 0.00 0.35 0.00 0.00 39.48 41.32 3kkl n PHE 17 CO 0.00 0.00 0.00 1.88 -0.76 0.00 0.00 176.76 177.88 3kkl h TYR 18 N 0.00 -0.69 -5.50 -5.13 -1.99 -1.90 -3.49 116.97 98.27 3kkl h TYR 18 Ca 0.00 0.01 -0.07 0.00 2.00 0.00 0.00 58.73 60.68 3kkl h TYR 18 Cb 0.00 0.29 0.00 0.00 2.00 0.00 0.00 36.73 39.02 3kkl h TYR 18 CO 0.00 -0.36 -0.67 1.17 -0.00 0.00 0.00 178.16 178.30 3kkl n LYS 19 N -5.37 -2.37 0.00 4.88 4.81 -1.26 -4.87 118.16 113.97 3kkl n LYS 19 Ca -0.07 2.04 0.00 0.00 -0.87 0.00 0.00 58.31 59.42 3kkl n LYS 19 Cb 0.29 -4.96 0.00 0.00 0.02 0.00 0.00 35.03 30.37 3kkl n LYS 19 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 3kkl n ASP 20 N -0.17 -0.34 0.00 3.14 4.64 -1.26 -5.11 116.55 117.45 3kkl n ASP 20 Ca 0.07 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.48 3kkl n ASP 20 Cb 0.46 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.54 3kkl n ASP 20 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3kkl n GLY 21 N 0.00 1.00 3.77 0.27 0.00 -1.26 -5.04 105.19 103.93 3kkl n GLY 21 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 2.85 0.04 4.61 0.00 -1.26 -4.95 121.76 123.05 3kkl s ALA 22 Ca 0.00 0.96 -0.20 0.00 0.00 0.00 0.00 51.96 52.73 3kkl s ALA 22 Cb 0.00 -3.41 -0.06 0.00 0.00 0.00 0.00 23.12 19.65 3kkl s ALA 22 CO 0.00 -0.81 0.57 0.15 0.00 0.00 0.00 175.76 175.67 3kkl s LYS 23 N -2.91 4.24 0.16 0.00 1.02 -1.26 -3.72 119.74 117.27 3kkl s LYS 23 Ca 0.68 0.73 -0.02 0.00 0.02 0.00 0.00 55.97 57.37 3kkl s LYS 23 Cb -0.29 -3.28 0.04 0.00 -0.52 0.00 0.00 37.83 33.77 3kkl s LYS 23 CO 0.34 0.53 0.22 -2.37 -0.92 0.00 0.00 175.35 173.15 3kkl n THR 24 N 2.15 0.00 0.00 2.17 5.66 -0.04 -0.25 114.28 123.97 3kkl n THR 24 Ca -0.09 -0.21 0.00 0.00 -3.05 0.00 0.00 64.05 60.70 3kkl n THR 24 Cb 0.51 -1.69 0.00 0.00 -1.55 0.00 0.00 70.33 67.60 3kkl n THR 24 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3kkl n GLY 25 N 3.50 -0.33 3.76 1.09 0.00 -1.25 -3.65 105.19 108.31 3kkl n GLY 25 Ca 0.03 -0.66 -0.39 0.00 0.00 0.00 0.00 46.02 45.00 3kkl n GLY 25 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kkl s VAL 26 N -4.00 4.09 -0.51 1.61 1.01 0.13 -3.15 120.40 119.57 3kkl s VAL 26 Ca 0.00 1.94 -0.19 0.00 0.00 0.00 0.00 61.98 63.74 3kkl s VAL 26 Cb 0.00 -4.18 0.06 0.00 0.00 0.00 0.00 36.38 32.27 3kkl s VAL 26 CO 0.00 0.35 0.61 0.12 0.00 0.00 0.00 175.10 176.17 3kkl s PHE 27 N -1.35 3.07 0.33 5.22 5.36 -1.25 0.74 117.98 130.10 3kkl s PHE 27 Ca 0.45 -0.61 0.12 0.00 -0.96 0.00 0.00 56.93 55.92 3kkl s PHE 27 Cb -0.23 -3.53 0.96 0.00 -0.34 0.00 0.00 43.02 39.88 3kkl s PHE 27 CO 0.29 -1.03 1.71 0.28 -1.46 0.00 0.00 175.22 175.01 3kkl h VAL 28 N 5.85 0.45 -0.14 3.12 2.07 -1.93 -2.69 116.25 122.99 3kkl h VAL 28 Ca -0.28 -0.17 -0.07 0.00 0.82 0.00 0.00 66.70 67.01 3kkl h VAL 28 Cb 1.10 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 3kkl h VAL 28 CO 0.97 0.09 -0.23 -0.37 0.02 0.00 0.00 177.57 178.05 3kkl h VAL 29 N 0.49 1.22 0.05 2.57 -1.51 -1.94 0.45 116.25 117.58 3kkl h VAL 29 Ca 0.68 -1.04 -0.00 0.00 -1.23 0.00 0.00 66.70 65.10 3kkl h VAL 29 Cb 1.40 1.37 0.00 0.00 -2.13 0.00 0.00 31.29 31.93 3kkl h VAL 29 CO -0.52 0.32 -0.02 -0.33 -1.23 0.00 0.00 177.57 175.78 3kkl h GLU 30 N 0.22 -0.06 0.02 5.19 5.08 -1.79 -1.87 114.58 121.36 3kkl h GLU 30 Ca 0.04 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.18 3kkl h GLU 30 Cb 0.53 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 3kkl h GLU 30 CO 0.04 0.08 -0.96 -0.84 -1.00 0.00 0.00 179.01 176.32 3kkl h ILE 31 N -0.19 1.46 0.29 3.13 3.07 -1.57 -1.72 117.51 121.97 3kkl h ILE 31 Ca -0.01 -2.62 0.00 0.00 1.55 0.00 0.00 64.86 63.79 3kkl h ILE 31 Cb 0.17 2.52 -0.02 0.00 -0.27 0.00 0.00 36.82 39.21 3kkl h ILE 31 CO 0.01 0.77 -0.30 0.25 -1.05 0.00 0.00 178.15 177.83 3kkl h LEU 32 N 0.16 -0.80 -0.86 0.16 5.85 -0.85 0.59 115.31 119.56 3kkl h LEU 32 Ca -0.07 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.73 3kkl h LEU 32 Cb 1.61 0.27 -0.04 0.00 0.37 0.00 0.00 40.66 42.87 3kkl h LEU 32 CO 0.16 -0.42 0.57 0.03 -0.34 0.00 0.00 178.44 178.43 3kkl h ARG 33 N -0.62 1.11 -0.15 1.25 3.08 -1.30 1.00 114.38 118.74 3kkl h ARG 33 Ca -0.01 -0.07 -0.21 0.00 0.07 0.00 0.00 59.98 59.76 3kkl h ARG 33 Cb 0.57 -0.25 0.01 0.00 0.08 0.00 0.00 29.97 30.38 3kkl h ARG 33 CO -0.06 0.74 -0.75 1.03 -1.07 0.00 0.00 179.97 179.85 3kkl h SER 34 N 1.15 0.87 0.16 7.04 0.87 -1.20 -2.84 113.55 119.59 3kkl h SER 34 Ca 0.32 -0.56 0.01 0.00 -1.23 0.00 0.00 61.79 60.33 3kkl h SER 34 Cb -0.11 -0.26 -0.04 0.00 -0.44 0.00 0.00 62.40 61.55 3kkl h SER 34 CO -0.07 1.35 -0.50 0.15 -0.53 0.00 0.00 176.83 177.23 3kkl h PHE 35 N 0.51 -1.43 -1.01 2.24 3.04 0.11 -2.00 116.94 118.39 3kkl h PHE 35 Ca -0.04 0.03 0.26 0.00 3.98 0.00 0.00 57.97 62.20 3kkl h PHE 35 Cb 1.37 0.60 -0.08 0.00 2.56 0.00 0.00 35.95 40.41 3kkl h PHE 35 CO 0.08 -0.57 0.67 -0.44 -2.02 0.00 0.00 178.31 176.02 3kkl h ASP 36 N -0.74 0.37 0.30 0.41 3.32 -0.85 -1.76 116.42 117.47 3kkl h ASP 36 Ca -0.01 0.06 -0.33 0.00 0.02 0.00 0.00 57.03 56.76 3kkl h ASP 36 Cb 0.73 -0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.31 3kkl h ASP 36 CO -0.24 0.10 -1.50 0.74 -1.72 0.00 0.00 179.24 176.61 3kkl h THR 37 N 0.34 1.25 -0.68 0.35 2.02 -1.22 -0.08 112.91 114.88 3kkl h THR 37 Ca 0.55 -2.72 -0.03 0.00 0.77 0.00 0.00 66.41 64.98 3kkl h THR 37 Cb 1.50 2.99 -0.03 0.00 -1.74 0.00 0.00 68.15 70.86 3kkl h THR 37 CO -0.22 0.83 0.31 -0.26 0.37 0.00 0.00 175.52 176.55 3kkl h PHE 38 N 0.13 1.00 0.47 3.16 0.04 -1.13 -2.48 116.94 118.13 3kkl h PHE 38 Ca -0.26 -0.06 -0.02 0.00 2.80 0.00 0.00 57.97 60.43 3kkl h PHE 38 Cb 2.14 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 39.99 3kkl h PHE 38 CO 0.12 0.75 -0.23 1.49 -0.60 0.00 0.00 178.31 179.84 3kkl h GLU 39 N 0.95 -0.61 0.00 1.51 4.81 -1.21 0.57 114.58 120.60 3kkl h GLU 39 Ca 0.23 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 3kkl h GLU 39 Cb 0.14 0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.66 3kkl h GLU 39 CO -0.03 -0.31 0.15 1.63 -0.73 0.00 0.00 179.01 179.72 3kkl n LYS 40 N -5.27 0.06 -0.59 1.92 4.76 -0.06 -0.10 118.16 118.88 3kkl n LYS 40 Ca -0.11 0.51 0.08 0.00 -2.87 0.00 0.00 58.31 55.92 3kkl n LYS 40 Cb 0.30 -1.86 0.31 0.00 -1.84 0.00 0.00 35.03 31.94 3kkl n LYS 40 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 3kkl n HIS 41 N -1.82 1.32 -1.79 2.13 8.25 -0.73 -4.96 115.22 117.62 3kkl n HIS 41 Ca -0.01 -0.81 -0.06 0.00 -0.26 0.00 0.00 57.72 56.58 3kkl n HIS 41 Cb 0.17 -0.37 -0.01 0.00 1.12 0.00 0.00 29.99 30.90 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 -0.04 0.38 3.72 -1.41 0.00 0.86 -5.04 105.19 103.64 3kkl n GLY 42 Ca 0.23 -0.68 -0.36 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.29 3.43 -0.12 1.61 0.40 0.12 -4.56 117.98 116.57 3kkl s PHE 43 Ca 0.00 0.51 -0.29 0.00 -0.60 0.00 0.00 56.93 56.55 3kkl s PHE 43 Cb 0.00 -2.32 -0.04 0.00 0.51 0.00 0.00 43.02 41.17 3kkl s PHE 43 CO 0.00 0.21 1.58 -2.00 0.70 0.00 0.00 175.22 175.71 3kkl s GLU 44 N 0.57 4.08 -0.23 0.44 2.12 0.11 -4.14 118.70 121.66 3kkl s GLU 44 Ca 0.14 1.96 -0.05 0.00 0.36 0.00 0.00 54.97 57.38 3kkl s GLU 44 Cb -0.13 -3.96 -0.02 0.00 0.26 0.00 0.00 34.13 30.28 3kkl s GLU 44 CO 0.03 -0.95 -0.00 0.08 -0.54 0.00 0.00 175.26 173.88 3kkl s VAL 45 N 4.27 3.73 -0.02 3.70 1.01 -1.26 -0.73 120.40 131.10 3kkl s VAL 45 Ca 0.70 -0.37 -0.02 0.00 0.00 0.00 0.00 61.98 62.28 3kkl s VAL 45 Cb -0.29 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 3kkl s VAL 45 CO 0.27 0.40 0.14 -1.81 0.00 0.00 0.00 175.10 174.09 3kkl s ASP 46 N 1.47 6.11 0.28 3.32 1.01 -0.92 -4.86 116.67 123.08 3kkl s ASP 46 Ca 0.05 0.28 0.05 0.00 0.71 0.00 0.00 52.55 53.65 3kkl s ASP 46 Cb -0.15 -1.87 -0.02 0.00 1.01 0.00 0.00 42.92 41.89 3kkl s ASP 46 CO -0.01 0.28 0.41 -0.36 0.21 0.00 0.00 175.17 175.71 3kkl s PHE 47 N -1.24 3.36 -0.11 4.23 0.08 -1.26 -0.70 117.98 122.33 3kkl s PHE 47 Ca 0.24 -0.04 -0.28 0.00 0.12 0.00 0.00 56.93 56.98 3kkl s PHE 47 Cb -0.12 -1.73 0.07 0.00 -0.57 0.00 0.00 43.02 40.66 3kkl s PHE 47 CO 0.15 0.27 0.66 0.08 -0.10 0.00 0.00 175.22 176.28 3kkl s VAL 48 N -2.08 0.00 0.28 -0.44 1.01 -0.72 -1.92 120.40 116.54 3kkl s VAL 48 Ca 0.38 -0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.36 3kkl s VAL 48 Cb -0.09 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 3kkl s VAL 48 CO 0.30 -0.01 0.14 -0.94 0.00 0.00 0.00 175.10 174.59 3kkl s SER 49 N -0.73 1.32 0.26 3.32 1.04 -1.00 -1.03 113.70 116.88 3kkl s SER 49 Ca -0.08 -1.51 -0.03 0.00 0.48 0.00 0.00 55.95 54.82 3kkl s SER 49 Cb -0.02 0.34 0.38 0.00 0.10 0.00 0.00 66.02 66.83 3kkl s SER 49 CO 0.07 -0.85 1.88 -0.08 0.98 0.00 0.00 173.24 175.24 3kkl h GLU 50 N 2.29 1.15 0.00 4.02 4.57 -1.86 -0.32 114.58 124.43 3kkl h GLU 50 Ca -0.35 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 57.76 3kkl h GLU 50 Cb 1.25 -0.26 -0.00 0.00 -0.16 0.00 0.00 28.75 29.58 3kkl h GLU 50 CO 0.54 0.76 -1.75 0.25 -1.18 0.00 0.00 179.01 177.63 3kkl n THR 51 N -4.50 0.02 0.00 0.32 -2.24 -1.26 -3.78 114.28 102.84 3kkl n THR 51 Ca 0.15 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 3kkl n THR 51 Cb 0.16 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 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 1.58 0.14 4.00 3.38 0.00 -1.12 -4.75 105.19 108.43 3kkl n GLY 52 Ca -0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.02 1.90 -0.15 -0.02 0.00 -1.26 -4.78 107.32 100.99 3kkl s GLY 53 Ca 0.00 -1.86 -0.34 0.00 0.00 0.00 0.00 44.72 42.51 3kkl s GLY 53 CO 0.00 -1.62 1.30 -0.11 0.00 0.00 0.00 173.10 172.67 3kkl s PHE 54 N -2.52 -0.06 0.27 1.90 -0.71 -1.26 -4.24 117.98 111.37 3kkl s PHE 54 Ca 0.56 0.01 0.02 0.00 -1.04 0.00 0.00 56.93 56.48 3kkl s PHE 54 Cb -0.07 0.52 -0.03 0.00 -1.21 0.00 0.00 43.02 42.23 3kkl s PHE 54 CO 0.34 -0.16 0.25 0.20 -1.34 0.00 0.00 175.22 174.51 3kkl s GLY 55 N -2.48 1.81 0.01 1.99 0.00 -1.26 -4.99 107.32 102.41 3kkl s GLY 55 Ca 0.12 -1.82 -0.21 0.00 0.00 0.00 0.00 44.72 42.81 3kkl s GLY 55 CO -0.04 -1.36 0.61 -0.98 0.00 0.00 0.00 173.10 171.33 3kkl s TRP 56 N -3.73 3.71 -0.08 1.90 0.23 -1.26 -0.70 118.94 119.02 3kkl s TRP 56 Ca 0.38 1.24 -0.29 0.00 -2.03 0.00 0.00 56.10 55.40 3kkl s TRP 56 Cb 0.04 -2.61 -0.06 0.00 0.03 0.00 0.00 33.47 30.87 3kkl s TRP 56 CO 0.20 0.38 1.79 0.34 0.96 0.00 0.00 176.95 180.62 3kkl s ASP 57 N -0.33 6.41 0.25 2.95 2.15 0.23 -4.62 116.67 123.71 3kkl s ASP 57 Ca 0.31 2.19 -0.06 0.00 0.43 0.00 0.00 52.55 55.42 3kkl s ASP 57 Cb -0.19 -2.53 0.25 0.00 -0.30 0.00 0.00 42.92 40.15 3kkl s ASP 57 CO 0.18 -1.14 1.92 -0.33 -0.17 0.00 0.00 175.17 175.62 3kkl h GLU 58 N 10.68 1.32 -1.98 4.34 5.08 -0.88 -2.26 114.58 130.88 3kkl h GLU 58 Ca -0.41 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 3kkl h GLU 58 Cb 1.20 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 30.16 3kkl h GLU 58 CO 0.96 0.89 0.00 0.72 -1.00 0.00 0.00 179.01 180.58 3kkl n HIS 59 N -4.37 0.00 0.00 4.33 8.25 -1.26 -5.01 115.22 117.16 3kkl n HIS 59 Ca 0.12 -0.35 0.00 0.00 -0.26 0.00 0.00 57.72 57.22 3kkl n HIS 59 Cb 0.03 -0.33 0.00 0.00 1.12 0.00 0.00 29.99 30.81 3kkl n HIS 59 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3kkl n TYR 60 N 1.78 0.00 0.00 4.41 4.02 -0.85 -5.16 117.16 121.36 3kkl n TYR 60 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3kkl n TYR 60 Cb 0.18 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.50 3kkl n TYR 60 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 3kkl n PHE 81 N 0.00 0.00 -0.28 -0.72 -0.00 -1.26 -4.80 117.46 110.41 3kkl n PHE 81 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.57 3kkl n PHE 81 Cb 0.00 0.00 0.23 0.00 -0.00 0.00 0.00 39.48 39.71 3kkl n PHE 81 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 3kkl n ASN 82 N 3.85 -0.09 0.03 -2.13 3.02 -1.26 -0.21 115.26 118.47 3kkl n ASN 82 Ca 0.00 1.36 -0.13 0.00 -0.03 0.00 0.00 54.58 55.78 3kkl n ASN 82 Cb 0.00 -0.49 -0.08 0.00 -0.61 0.00 0.00 39.78 38.59 3kkl n ASN 82 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 3kkl h LYS 83 N 0.00 -0.03 -0.44 3.52 3.64 -2.02 0.65 116.57 121.89 3kkl h LYS 83 Ca 0.48 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.87 3kkl h LYS 83 Cb 1.00 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.80 3kkl h LYS 83 CO -0.75 0.17 0.29 0.00 -2.27 0.00 0.00 179.45 176.89 3kkl h ALA 84 N 0.75 1.68 0.03 5.00 0.00 -1.51 -2.09 119.26 123.11 3kkl h ALA 84 Ca -0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3kkl h ALA 84 Cb 0.21 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3kkl h ALA 84 CO 0.00 0.30 -0.01 -0.07 0.00 0.00 0.00 179.25 179.47 3kkl h LEU 85 N 0.60 -0.03 -2.21 0.00 3.38 -0.14 -2.81 115.31 114.10 3kkl h LEU 85 Ca 0.16 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 3kkl h LEU 85 Cb -0.06 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3kkl h LEU 85 CO -0.03 0.30 -0.00 0.00 0.09 0.00 0.00 178.44 178.80 3kkl h ALA 86 N 0.60 1.77 -0.49 1.53 0.00 -0.72 -2.26 119.26 119.70 3kkl h ALA 86 Ca -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3kkl h ALA 86 Cb 0.35 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3kkl h ALA 86 CO 0.01 0.00 0.02 -2.13 0.00 0.00 0.00 179.25 177.15 3kkl n ARG 87 N -4.21 4.23 -1.70 0.00 3.00 -0.80 -4.98 116.66 112.19 3kkl n ARG 87 Ca -0.03 -2.64 -0.43 0.00 -0.00 0.00 0.00 57.85 54.74 3kkl n ARG 87 Cb 0.09 -2.14 -0.03 0.00 0.00 0.00 0.00 32.46 30.37 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 0.49 0.06 -3.11 5.15 3.06 -0.85 -4.83 119.36 119.32 3kkl n ILE 88 Ca 0.24 -0.01 -0.35 0.00 -2.50 0.00 0.00 62.75 60.13 3kkl n ILE 88 Cb 1.06 -1.88 -0.06 0.00 0.54 0.00 0.00 39.64 39.30 3kkl n ILE 88 CO 0.00 0.00 0.00 -0.54 -2.50 0.00 0.00 176.55 173.51 3kkl s LYS 89 N 1.37 4.17 0.45 9.51 1.02 -0.81 -4.95 119.74 130.50 3kkl s LYS 89 Ca 0.77 0.80 -0.21 0.00 0.02 0.00 0.00 55.97 57.35 3kkl s LYS 89 Cb -0.55 -2.73 -0.09 0.00 -0.52 0.00 0.00 37.83 33.93 3kkl s LYS 89 CO 0.35 0.32 1.00 0.95 -0.92 0.00 0.00 175.35 177.05 3kkl s THR 90 N -1.67 4.01 0.48 2.17 -4.23 -1.26 -2.37 115.64 112.76 3kkl s THR 90 Ca 0.47 1.31 0.18 0.00 -1.18 0.00 0.00 61.69 62.46 3kkl s THR 90 Cb -0.15 -3.56 0.34 0.00 1.34 0.00 0.00 72.50 70.47 3kkl s THR 90 CO 0.20 -0.21 2.01 0.00 -0.54 0.00 0.00 174.62 176.08 3kkl h ALA 91 N 1.90 2.17 -0.26 3.99 0.00 -1.15 -1.05 119.26 124.86 3kkl h ALA 91 Ca -0.49 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.48 3kkl h ALA 91 Cb 1.20 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3kkl h ALA 91 CO 0.60 -0.28 0.20 -0.91 0.00 0.00 0.00 179.25 178.86 3kkl h ASN 92 N 0.21 0.00 -0.60 0.00 -0.26 -1.85 -3.27 115.58 109.81 3kkl h ASN 92 Ca 0.22 0.00 -0.43 0.00 -0.56 0.00 0.00 56.30 55.53 3kkl h ASN 92 Cb 0.60 0.00 -0.36 0.00 -1.06 0.00 0.00 38.32 37.49 3kkl h ASN 92 CO -0.04 0.00 -0.81 -0.62 -1.06 0.00 0.00 177.43 174.90 3kkl n GLU 93 N -4.34 3.07 -5.12 0.81 1.02 -0.40 -5.00 120.64 110.68 3kkl n GLU 93 Ca 0.03 -3.94 -0.32 0.00 -0.02 0.00 0.00 57.16 52.91 3kkl n GLU 93 Cb 0.35 -2.07 -0.15 0.00 -0.02 0.00 0.00 31.44 29.54 3kkl n GLU 93 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3kkl s VAL 94 N -4.24 2.44 -0.54 2.62 1.01 -1.24 -4.80 120.40 115.65 3kkl s VAL 94 Ca 0.46 -0.94 -0.21 0.00 0.00 0.00 0.00 61.98 61.29 3kkl s VAL 94 Cb 0.39 -1.91 0.06 0.00 0.00 0.00 0.00 36.38 34.92 3kkl s VAL 94 CO 0.01 0.57 0.77 0.21 0.00 0.00 0.00 175.10 176.67 3kkl s ASN 95 N -0.38 6.26 0.20 3.32 3.04 -1.26 -4.95 114.94 121.16 3kkl s ASN 95 Ca 0.03 -0.76 -0.11 0.00 0.04 0.00 0.00 52.86 52.06 3kkl s ASN 95 Cb -0.12 -2.35 0.16 0.00 -1.54 0.00 0.00 41.25 37.39 3kkl s ASN 95 CO 0.02 -1.07 1.84 0.00 -3.04 0.00 0.00 177.10 174.84 3kkl h ALA 96 N 9.17 0.84 -0.88 1.71 0.00 -1.97 -1.23 119.26 126.89 3kkl h ALA 96 Ca -0.27 -0.02 0.26 0.00 0.00 0.00 0.00 54.91 54.87 3kkl h ALA 96 Cb 1.08 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 3kkl h ALA 96 CO 1.04 0.15 0.76 0.77 0.00 0.00 0.00 179.25 181.97 3kkl h SER 97 N 0.78 0.00 0.09 0.00 0.02 -1.92 -1.81 113.55 110.71 3kkl h SER 97 Ca 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 3kkl h SER 97 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 3kkl h SER 97 CO -0.10 0.00 0.00 0.44 -1.14 0.00 0.00 176.83 176.03 3kkl h ASP 98 N 0.00 0.00 -4.08 3.07 3.32 -1.64 -3.46 116.42 113.64 3kkl h ASP 98 Ca 0.42 0.00 -0.69 0.00 0.02 0.00 0.00 57.03 56.78 3kkl h ASP 98 Cb 1.93 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 41.25 3kkl h ASP 98 CO -0.00 0.00 -0.78 -0.31 -1.72 0.00 0.00 179.24 176.43 3kkl s TYR 99 N -4.06 2.67 -0.17 4.55 2.02 -0.68 -4.50 117.35 117.17 3kkl s TYR 99 Ca -0.04 -0.18 0.21 0.00 -0.37 0.00 0.00 57.07 56.68 3kkl s TYR 99 Cb 0.12 -1.61 -0.10 0.00 -0.40 0.00 0.00 41.96 39.97 3kkl s TYR 99 CO 0.41 0.17 0.87 1.63 -1.57 0.00 0.00 175.55 177.06 3kkl n LYS 100 N 2.29 0.62 -3.72 -0.62 4.76 0.58 -4.86 118.16 117.21 3kkl n LYS 100 Ca -0.17 0.09 -0.16 0.00 -2.87 0.00 0.00 58.31 55.20 3kkl n LYS 100 Cb 0.52 -1.77 -0.16 0.00 -1.84 0.00 0.00 35.03 31.78 3kkl n LYS 100 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3kkl s VAL 101 N -3.25 -0.11 -0.27 -0.18 1.01 -1.10 -0.95 120.40 115.54 3kkl s VAL 101 Ca -0.03 0.30 -0.11 0.00 0.00 0.00 0.00 61.98 62.14 3kkl s VAL 101 Cb 0.10 -0.17 -0.05 0.00 0.00 0.00 0.00 36.38 36.26 3kkl s VAL 101 CO 0.82 0.12 0.17 0.12 0.00 0.00 0.00 175.10 176.33 3kkl s PHE 102 N 1.62 3.21 -0.28 5.22 5.36 -0.04 0.25 117.98 133.32 3kkl s PHE 102 Ca -0.03 0.07 0.00 0.00 -0.96 0.00 0.00 56.93 56.01 3kkl s PHE 102 Cb -0.12 -2.36 0.06 0.00 -0.34 0.00 0.00 43.02 40.26 3kkl s PHE 102 CO -0.04 -0.17 -0.05 0.12 -1.46 0.00 0.00 175.22 173.63 3kkl s PHE 103 N 1.69 3.28 -0.55 10.12 5.36 0.47 0.69 117.98 139.05 3kkl s PHE 103 Ca 0.07 -2.11 -0.21 0.00 -0.96 0.00 0.00 56.93 53.72 3kkl s PHE 103 Cb -0.16 -2.06 0.06 0.00 -0.34 0.00 0.00 43.02 40.52 3kkl s PHE 103 CO 0.10 -0.84 0.79 0.00 -1.46 0.00 0.00 175.22 173.81 3kkl s ALA 104 N 1.18 3.27 0.70 11.12 0.00 0.21 -0.58 121.76 137.65 3kkl s ALA 104 Ca -0.06 -1.62 -0.05 0.00 0.00 0.00 0.00 51.96 50.23 3kkl s ALA 104 Cb -0.20 -3.57 0.08 0.00 0.00 0.00 0.00 23.12 19.43 3kkl s ALA 104 CO -0.03 -2.28 0.99 -1.12 0.00 0.00 0.00 175.76 173.32 3kkl s SER 105 N 2.96 4.66 0.00 0.00 0.01 -0.51 -1.92 113.70 118.90 3kkl s SER 105 Ca 0.21 0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.64 3kkl s SER 105 Cb -0.17 -0.76 0.00 0.00 0.21 0.00 0.00 66.02 65.30 3kkl s SER 105 CO 0.14 -1.66 0.00 0.00 0.41 0.00 0.00 173.24 172.13 3kkl n ALA 106 N -2.86 0.00 0.00 1.44 0.00 -1.26 -4.41 120.51 113.42 3kkl n ALA 106 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3kkl n ALA 106 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 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 1.52 3.61 0.23 0.00 0.00 -1.25 -3.74 105.19 105.56 3kkl n GLY 107 Ca 0.00 -1.50 0.07 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.66 1.61 3.86 -1.95 1.32 115.15 119.32 3kkl h HIS 108 Ca 0.00 0.00 0.17 0.00 -1.16 0.00 0.00 60.37 59.38 3kkl h HIS 108 Cb 0.00 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.44 3kkl h HIS 108 CO 0.00 0.00 0.46 0.78 0.86 0.00 0.00 177.93 180.03 3kkl h GLY 109 N 0.00 0.26 2.00 2.45 0.00 -1.80 -1.85 103.07 104.14 3kkl h GLY 109 Ca 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 3kkl h GLY 109 CO 0.00 0.02 -0.06 0.00 0.00 0.00 0.00 176.54 176.49 3kkl h ALA 110 N 1.68 1.70 -0.35 3.60 0.00 0.15 -0.00 119.26 126.04 3kkl h ALA 110 Ca 0.32 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.27 3kkl h ALA 110 Cb 1.06 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3kkl h ALA 110 CO -0.05 0.08 0.33 -0.07 0.00 0.00 0.00 179.25 179.54 3kkl h LEU 111 N 0.00 0.00 0.05 0.00 3.38 -1.51 -2.24 115.31 114.99 3kkl h LEU 111 Ca -0.00 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 3kkl h LEU 111 Cb 0.13 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 3kkl h LEU 111 CO 0.01 0.00 -2.03 0.49 0.09 0.00 0.00 178.44 177.00 3kkl n PHE 112 N -3.92 0.85 -0.05 1.13 3.01 -0.02 -4.73 117.46 113.73 3kkl n PHE 112 Ca 0.06 0.23 -0.06 0.00 1.01 0.00 0.00 57.45 58.68 3kkl n PHE 112 Cb 0.50 -1.13 -0.06 0.00 -0.01 0.00 0.00 39.48 38.78 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 -3.23 2.97 -0.23 4.37 5.75 -1.17 -4.74 116.55 120.28 3kkl n ASP 113 Ca -0.29 -0.03 0.01 0.00 -0.01 0.00 0.00 54.79 54.47 3kkl n ASP 113 Cb 1.05 0.32 0.13 0.00 -1.03 0.00 0.00 41.12 41.59 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 0.00 0.52 0.00 2.11 -1.99 -1.68 0.15 116.97 116.08 3kkl h TYR 114 Ca -0.24 0.03 -0.06 0.00 2.00 0.00 0.00 58.73 60.45 3kkl h TYR 114 Cb 1.47 -0.13 -0.01 0.00 2.00 0.00 0.00 36.73 40.06 3kkl h TYR 114 CO 0.01 0.16 -0.30 -1.35 -0.00 0.00 0.00 178.16 176.68 3kkl h PRO 115 N 0.51 0.00 -0.30 4.88 0.11 -1.74 -1.56 132.00 133.90 3kkl h PRO 115 Ca 0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.44 3kkl h PRO 115 Cb 0.38 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.49 3kkl h PRO 115 CO -0.29 0.30 0.00 1.63 -0.21 0.00 0.00 178.00 179.43 3kkl n LYS 116 N -4.12 1.98 -1.85 1.05 4.76 -0.22 -4.77 118.16 114.99 3kkl n LYS 116 Ca -0.02 -1.50 -0.42 0.00 -2.87 0.00 0.00 58.31 53.50 3kkl n LYS 116 Cb 0.35 -1.40 0.00 0.00 -1.84 0.00 0.00 35.03 32.14 3kkl n LYS 116 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kkl n ALA 117 N 0.72 5.56 -0.12 7.82 0.00 0.37 -4.73 120.51 130.12 3kkl n ALA 117 Ca 0.16 -3.97 -0.01 0.00 0.00 0.00 0.00 53.44 49.62 3kkl n ALA 117 Cb 0.40 -3.41 0.24 0.00 0.00 0.00 0.00 19.45 16.68 3kkl n ALA 117 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3kkl h LYS 118 N 5.92 0.79 -0.21 0.00 6.56 -1.88 -1.58 116.57 126.17 3kkl h LYS 118 Ca 0.54 -0.13 -0.05 0.00 -1.06 0.00 0.00 60.65 59.95 3kkl h LYS 118 Cb 0.63 -0.14 -0.01 0.00 -0.57 0.00 0.00 32.23 32.14 3kkl h LYS 118 CO 1.83 0.67 -0.07 -0.91 -2.06 0.00 0.00 179.45 178.90 3kkl h ASN 119 N 0.78 0.42 -1.01 0.86 2.35 -1.94 -2.29 115.58 114.76 3kkl h ASN 119 Ca 0.18 -0.39 0.08 0.00 -0.55 0.00 0.00 56.30 55.63 3kkl h ASN 119 Cb 0.18 -0.12 -0.07 0.00 0.05 0.00 0.00 38.32 38.37 3kkl h ASN 119 CO -0.01 0.72 0.65 -0.07 -1.65 0.00 0.00 177.43 177.06 3kkl h LEU 120 N 0.13 1.01 -0.50 1.61 3.38 -1.80 -2.39 115.31 116.74 3kkl h LEU 120 Ca 0.05 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 3kkl h LEU 120 Cb 0.54 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3kkl h LEU 120 CO 0.03 0.62 0.06 1.56 0.09 0.00 0.00 178.44 180.79 3kkl h GLN 121 N 1.13 0.85 -0.80 1.13 4.20 -1.16 -1.09 115.11 119.37 3kkl h GLN 121 Ca 0.45 -0.24 0.09 0.00 0.06 0.00 0.00 58.65 59.02 3kkl h GLN 121 Cb 0.26 -0.09 -0.07 0.00 0.30 0.00 0.00 27.48 27.88 3kkl h GLN 121 CO -0.20 0.85 0.45 -0.44 -0.67 0.00 0.00 178.83 178.82 3kkl h ASP 122 N 0.72 0.64 0.56 1.46 3.45 -1.22 -0.16 116.42 121.87 3kkl h ASP 122 Ca 0.15 0.05 -0.03 0.00 0.43 0.00 0.00 57.03 57.63 3kkl h ASP 122 Cb 0.43 -0.07 -0.00 0.00 -0.56 0.00 0.00 39.33 39.12 3kkl h ASP 122 CO 0.01 0.37 -0.34 0.40 -1.57 0.00 0.00 179.24 178.11 3kkl h ILE 123 N 0.76 0.00 -1.00 0.35 1.08 -0.87 -1.10 117.51 116.73 3kkl h ILE 123 Ca 0.39 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 65.03 3kkl h ILE 123 Cb 0.35 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 34.00 3kkl h ILE 123 CO -0.25 0.00 0.62 0.00 -0.69 0.00 0.00 178.15 177.83 3kkl h ALA 124 N -1.43 1.68 -0.65 1.87 0.00 -1.20 0.11 119.26 119.65 3kkl h ALA 124 Ca -0.08 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3kkl h ALA 124 Cb 0.67 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 3kkl h ALA 124 CO 0.08 -0.01 0.39 1.03 0.00 0.00 0.00 179.25 180.74 3kkl h SER 125 N 0.80 0.77 0.02 0.00 0.87 -0.88 -1.31 113.55 113.81 3kkl h SER 125 Ca 0.55 -0.06 -0.16 0.00 -1.23 0.00 0.00 61.79 60.89 3kkl h SER 125 Cb 0.82 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.57 3kkl h SER 125 CO -0.33 0.60 -0.54 0.11 -0.53 0.00 0.00 176.83 176.14 3kkl h LYS 126 N 0.88 0.56 -0.60 2.24 1.57 0.46 -0.31 116.57 121.37 3kkl h LYS 126 Ca 0.23 -0.35 -0.10 0.00 -1.87 0.00 0.00 60.65 58.57 3kkl h LYS 126 Cb -0.03 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 3kkl h LYS 126 CO -0.04 0.95 -0.02 0.82 -0.57 0.00 0.00 179.45 180.59 3kkl h ILE 127 N 0.43 1.27 -0.23 1.86 2.04 -0.76 -2.08 117.51 120.03 3kkl h ILE 127 Ca 0.01 -1.17 -0.10 0.00 1.00 0.00 0.00 64.86 64.60 3kkl h ILE 127 Cb 1.08 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 37.99 3kkl h ILE 127 CO 0.10 0.42 -0.25 0.22 0.00 0.00 0.00 178.15 178.64 3kkl h TYR 128 N 0.96 0.69 0.00 1.37 5.03 -1.12 0.32 116.97 124.22 3kkl h TYR 128 Ca 0.17 -0.21 -0.01 0.00 2.58 0.00 0.00 58.73 61.25 3kkl h TYR 128 Cb 0.58 -0.14 -0.00 0.00 1.55 0.00 0.00 36.73 38.72 3kkl h TYR 128 CO 0.04 0.92 -0.04 0.00 -1.32 0.00 0.00 178.16 177.76 3kkl h ALA 129 N 0.66 1.18 0.00 1.82 0.00 -1.00 0.02 119.26 121.93 3kkl h ALA 129 Ca 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kkl h ALA 129 Cb 0.82 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3kkl h ALA 129 CO 0.06 0.05 0.00 0.09 0.00 0.00 0.00 179.25 179.45 3kkl n ASN 130 N -3.39 0.04 -1.29 0.00 4.13 -0.79 -4.87 115.26 109.09 3kkl n ASN 130 Ca -0.02 -1.96 -0.13 0.00 1.68 0.00 0.00 54.58 54.15 3kkl n ASN 130 Cb 0.17 -0.02 -0.02 0.00 -1.54 0.00 0.00 39.78 38.36 3kkl n ASN 130 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3kkl n GLY 131 N 0.46 0.42 3.96 7.41 0.00 -0.01 -5.03 105.19 112.40 3kkl n GLY 131 Ca 0.00 -0.37 -0.25 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.59 1.75 -0.12 -0.02 0.00 0.11 -4.98 107.32 101.48 3kkl s GLY 132 Ca 0.00 -1.36 -0.04 0.00 0.00 0.00 0.00 44.72 43.33 3kkl s GLY 132 CO 0.00 -0.81 0.02 0.14 0.00 0.00 0.00 173.10 172.44 3kkl s VAL 133 N -3.31 4.43 -0.22 1.40 1.01 -0.13 -4.40 120.40 119.19 3kkl s VAL 133 Ca 0.66 -0.19 -0.11 0.00 0.00 0.00 0.00 61.98 62.34 3kkl s VAL 133 Cb -0.07 -2.91 -0.05 0.00 0.00 0.00 0.00 36.38 33.35 3kkl s VAL 133 CO 0.46 0.56 0.16 0.27 0.00 0.00 0.00 175.10 176.55 3kkl s ILE 134 N -0.44 5.37 0.14 2.22 -5.25 -0.60 -0.86 121.20 121.78 3kkl s ILE 134 Ca 0.08 0.20 0.08 0.00 -0.99 0.00 0.00 60.65 60.03 3kkl s ILE 134 Cb -0.12 -3.50 -0.04 0.00 2.95 0.00 0.00 42.46 41.75 3kkl s ILE 134 CO 0.02 0.38 -0.19 0.00 -1.79 0.00 0.00 174.94 173.36 3kkl s ALA 135 N 0.81 1.87 -0.18 2.27 0.00 0.22 -1.08 121.76 125.66 3kkl s ALA 135 Ca 0.08 -1.37 -0.16 0.00 0.00 0.00 0.00 51.96 50.51 3kkl s ALA 135 Cb -0.13 -0.19 0.05 0.00 0.00 0.00 0.00 23.12 22.85 3kkl s ALA 135 CO 0.02 0.26 0.48 0.00 0.00 0.00 0.00 175.76 176.53 3kkl s ALA 136 N -1.73 -1.19 0.11 0.00 0.00 -0.91 0.68 121.76 118.72 3kkl s ALA 136 Ca 0.11 1.38 0.05 0.00 0.00 0.00 0.00 51.96 53.50 3kkl s ALA 136 Cb -0.07 -0.80 -0.04 0.00 0.00 0.00 0.00 23.12 22.21 3kkl s ALA 136 CO 0.05 -0.23 -0.13 0.96 0.00 0.00 0.00 175.76 176.41 3kkl s ILE 137 N 0.33 1.20 0.00 0.00 -4.36 -0.81 0.20 121.20 117.76 3kkl s ILE 137 Ca -0.01 -1.63 0.00 0.00 -0.26 0.00 0.00 60.65 58.75 3kkl s ILE 137 Cb -0.04 -1.41 0.00 0.00 1.25 0.00 0.00 42.46 42.26 3kkl s ILE 137 CO -0.00 -0.42 0.00 0.00 0.24 0.00 0.00 174.94 174.76 3kkl n HIS 139 N 12.73 0.11 -0.34 0.00 8.25 -1.26 -1.57 115.22 133.15 3kkl n HIS 139 Ca 0.00 -0.06 0.05 0.00 -0.26 0.00 0.00 57.72 57.45 3kkl n HIS 139 Cb 0.00 0.00 0.22 0.00 1.12 0.00 0.00 29.99 31.33 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 5.24 1.47 1.47 -1.41 0.00 -0.47 -0.90 103.07 108.47 3kkl h GLY 140 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.89 3kkl h GLY 140 CO 0.00 0.27 0.00 -1.05 0.00 0.00 0.00 176.54 175.76 3kkl n PRO 141 N -4.53 0.05 0.22 4.80 -0.02 -1.26 -1.57 135.00 132.69 3kkl n PRO 141 Ca 0.16 0.21 0.06 0.00 -2.02 0.00 0.00 63.50 61.91 3kkl n PRO 141 Cb 0.24 -1.50 0.50 0.00 -0.02 0.00 0.00 33.50 32.72 3kkl n PRO 141 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3kkl h LEU 142 N 0.00 0.00 -2.43 2.45 3.38 -1.51 -0.40 115.31 116.80 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 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3kkl h LEU 142 CO 0.00 0.23 0.18 0.25 0.09 0.00 0.00 178.44 179.19 3kkl h LEU 143 N 0.00 0.00 0.00 1.67 6.46 -1.45 -1.53 115.31 120.46 3kkl h LEU 143 Ca -0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 3kkl h LEU 143 Cb 0.42 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.35 3kkl h LEU 143 CO 0.03 0.00 0.00 0.49 -0.62 0.00 0.00 178.44 178.34 3kkl n PHE 144 N -3.14 0.00 -2.75 1.25 3.72 -0.16 -4.38 117.46 112.01 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 0.25 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.76 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 -1.88 6.56 0.00 4.37 3.68 -0.57 -2.48 116.67 126.34 3kkl s ASP 145 Ca 0.35 0.27 0.00 0.00 2.13 0.00 0.00 52.55 55.30 3kkl s ASP 145 Cb 0.16 -2.48 0.00 0.00 -1.45 0.00 0.00 42.92 39.15 3kkl s ASP 145 CO 0.27 -1.10 0.00 0.61 0.13 0.00 0.00 175.17 175.08 3kkl n GLY 146 N 4.86 1.14 3.64 2.66 0.00 -1.26 -4.86 105.19 111.37 3kkl n GLY 146 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 4.02 -0.15 0.99 2.96 -1.03 -4.96 118.68 120.51 3kkl s LEU 147 Ca 0.00 2.06 -0.08 0.00 -0.22 0.00 0.00 54.13 55.89 3kkl s LEU 147 Cb 0.00 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.12 3kkl s LEU 147 CO 0.00 -1.28 0.13 -0.63 -1.32 0.00 0.00 176.35 173.25 3kkl s ILE 148 N 5.41 5.44 -0.66 6.68 1.01 -1.26 0.09 121.20 137.91 3kkl s ILE 148 Ca 0.82 0.19 -0.25 0.00 0.00 0.00 0.00 60.65 61.42 3kkl s ILE 148 Cb -0.33 -3.41 0.05 0.00 0.01 0.00 0.00 42.46 38.78 3kkl s ILE 148 CO 0.34 0.55 1.07 -0.62 0.00 0.00 0.00 174.94 176.29 3kkl s ASP 149 N -0.52 6.21 0.64 3.58 2.15 0.15 -4.69 116.67 124.20 3kkl s ASP 149 Ca 0.12 -0.66 0.42 0.00 0.43 0.00 0.00 52.55 52.86 3kkl s ASP 149 Cb -0.12 -2.47 2.24 0.00 -0.30 0.00 0.00 42.92 42.27 3kkl s ASP 149 CO 0.02 -1.54 2.31 0.16 -0.17 0.00 0.00 175.17 175.95 3kkl h ILE 150 N 6.01 0.05 0.00 4.11 3.07 -1.87 0.95 117.51 129.84 3kkl h ILE 150 Ca -0.28 -0.08 -0.13 0.00 1.55 0.00 0.00 64.86 65.92 3kkl h ILE 150 Cb 1.06 1.08 -0.02 0.00 -0.27 0.00 0.00 36.82 38.67 3kkl h ILE 150 CO 1.20 0.00 -0.61 0.11 -1.05 0.00 0.00 178.15 177.80 3kkl h LYS 151 N 0.00 0.00 0.00 0.16 1.57 -1.92 -3.35 116.57 113.03 3kkl h LYS 151 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kkl h LYS 151 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 3kkl h LYS 151 CO 0.00 0.61 -0.72 0.25 -0.57 0.00 0.00 179.45 179.03 3kkl n THR 152 N -3.72 0.00 -0.80 -0.16 -2.24 0.32 -5.00 114.28 102.68 3kkl n THR 152 Ca -0.01 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 3kkl n THR 152 Cb 0.63 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 69.55 3kkl n THR 152 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 3kkl n THR 153 N -1.39 0.00 -3.05 4.28 5.66 0.30 -5.01 114.28 115.08 3kkl n THR 153 Ca -0.00 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.74 3kkl n THR 153 Cb 0.09 -0.38 -0.01 0.00 -1.55 0.00 0.00 70.33 68.48 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 -0.77 3.54 0.27 1.09 1.81 -1.25 -4.77 118.95 118.86 3kkl s ARG 154 Ca 0.00 -0.05 -0.30 0.00 -1.72 0.00 0.00 55.73 53.66 3kkl s ARG 154 Cb 0.00 -2.53 -0.13 0.00 -0.45 0.00 0.00 34.95 31.83 3kkl s ARG 154 CO 0.00 0.01 1.31 -2.30 -0.68 0.00 0.00 175.30 173.64 3kkl n PRO 155 N -1.86 1.91 0.15 3.54 -0.02 -1.26 -0.68 135.00 136.78 3kkl n PRO 155 Ca -0.02 0.68 0.03 0.00 -2.02 0.00 0.00 63.50 62.17 3kkl n PRO 155 Cb 0.55 -2.27 0.42 0.00 -0.02 0.00 0.00 33.50 32.18 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 3.42 0.16 -0.29 2.45 6.46 -0.62 -2.00 115.31 124.90 3kkl h LEU 156 Ca -0.45 -0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.28 3kkl h LEU 156 Cb 1.29 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 41.18 3kkl h LEU 156 CO 0.70 0.33 -0.23 2.30 -0.62 0.00 0.00 178.44 180.92 3kkl n ILE 157 N -4.29 0.00 -1.67 4.05 -5.35 -1.26 -4.88 119.36 105.96 3kkl n ILE 157 Ca -0.01 -0.07 -0.46 0.00 -0.27 0.00 0.00 62.75 61.93 3kkl n ILE 157 Cb 0.26 0.14 -0.04 0.00 -1.74 0.00 0.00 39.64 38.25 3kkl n ILE 157 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 3kkl n GLU 158 N -0.95 2.13 -0.91 6.28 2.13 -0.75 -0.87 120.64 127.69 3kkl n GLU 158 Ca 0.12 0.77 0.00 0.00 0.66 0.00 0.00 57.16 58.71 3kkl n GLU 158 Cb 0.32 -2.55 0.00 0.00 0.27 0.00 0.00 31.44 29.48 3kkl n GLU 158 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kkl n GLY 159 N 3.53 0.59 3.89 8.31 0.00 0.16 -4.92 105.19 116.76 3kkl n GLY 159 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.38 3.19 -0.09 1.61 -0.14 -0.05 -4.89 119.74 118.99 3kkl s LYS 160 Ca 0.00 -0.85 -0.09 0.00 -1.36 0.00 0.00 55.97 53.67 3kkl s LYS 160 Cb 0.00 -2.76 -0.04 0.00 -1.68 0.00 0.00 37.83 33.35 3kkl s LYS 160 CO 0.00 0.44 0.22 0.00 -0.76 0.00 0.00 175.35 175.25 3kkl s ALA 161 N -1.96 3.82 0.05 5.17 0.00 -1.26 -0.37 121.76 127.21 3kkl s ALA 161 Ca 0.33 -0.52 -0.01 0.00 0.00 0.00 0.00 51.96 51.76 3kkl s ALA 161 Cb -0.09 -2.10 -0.04 0.00 0.00 0.00 0.00 23.12 20.90 3kkl s ALA 161 CO 0.27 0.56 -0.02 0.96 0.00 0.00 0.00 175.76 177.53 3kkl s ILE 162 N -0.99 0.22 0.00 0.00 -4.36 0.10 -4.67 121.20 111.49 3kkl s ILE 162 Ca 0.17 -1.77 0.00 0.00 -0.26 0.00 0.00 60.65 58.79 3kkl s ILE 162 Cb -0.13 -1.49 0.00 0.00 1.25 0.00 0.00 42.46 42.09 3kkl s ILE 162 CO 0.06 -0.98 0.00 1.07 0.24 0.00 0.00 174.94 175.34 3kkl n THR 163 N 0.13 0.00 0.00 8.37 5.66 -1.26 -0.69 114.28 126.49 3kkl n THR 163 Ca -0.14 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.86 3kkl n THR 163 Cb 0.61 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.39 3kkl n THR 163 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3kkl n GLY 164 N 4.63 -0.15 3.68 1.09 0.00 -1.25 -4.57 105.19 108.62 3kkl n GLY 164 Ca 0.00 -1.29 -0.42 0.00 0.00 0.00 0.00 46.02 44.31 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 -1.98 2.88 0.73 1.61 2.19 -0.61 -4.71 117.98 118.10 3kkl s PHE 165 Ca 0.00 0.95 -0.11 0.00 0.33 0.00 0.00 56.93 58.10 3kkl s PHE 165 Cb 0.00 -3.56 0.03 0.00 -1.31 0.00 0.00 43.02 38.18 3kkl s PHE 165 CO 0.00 -1.97 1.09 -1.25 1.83 0.00 0.00 175.22 174.92 3kkl s PRO 166 N 2.83 2.63 0.20 10.12 0.04 -1.26 -4.55 135.00 145.01 3kkl s PRO 166 Ca 0.59 0.62 -0.11 0.00 0.04 0.00 0.00 61.00 62.14 3kkl s PRO 166 Cb -0.26 -1.98 0.19 0.00 0.04 0.00 0.00 34.50 32.48 3kkl s PRO 166 CO 0.21 -1.23 1.80 1.25 0.04 0.00 0.00 177.00 179.07 3kkl h LEU 167 N -0.80 0.46 -1.00 -3.56 5.85 -2.00 -1.64 115.31 112.62 3kkl h LEU 167 Ca -0.45 0.03 0.37 0.00 0.84 0.00 0.00 57.88 58.66 3kkl h LEU 167 Cb 1.25 -0.06 -0.16 0.00 0.37 0.00 0.00 40.66 42.05 3kkl h LEU 167 CO 0.61 0.30 0.53 -0.33 -0.34 0.00 0.00 178.44 179.22 3kkl h GLU 168 N 0.59 0.15 -0.38 1.25 5.08 -1.99 0.44 114.58 119.72 3kkl h GLU 168 Ca 0.26 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.50 3kkl h GLU 168 Cb 0.16 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3kkl h GLU 168 CO -0.17 0.10 -0.23 0.78 -1.00 0.00 0.00 179.01 178.48 3kkl h GLY 169 N 0.16 0.84 2.00 -3.84 0.00 -1.66 -1.09 103.07 99.47 3kkl h GLY 169 Ca 0.78 -0.72 -0.11 0.00 0.00 0.00 0.00 47.33 47.27 3kkl h GLY 169 CO -0.70 0.66 -0.55 0.83 0.00 0.00 0.00 176.54 176.79 3kkl h GLU 170 N 0.67 0.00 -0.20 4.80 4.39 -0.08 -1.57 114.58 122.59 3kkl h GLU 170 Ca 0.09 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.61 3kkl h GLU 170 Cb 0.75 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.40 3kkl h GLU 170 CO 0.06 0.55 -0.57 0.82 -1.16 0.00 0.00 179.01 178.70 3kkl h ILE 171 N 0.00 1.30 -0.85 3.13 5.03 -0.89 -2.08 117.51 123.16 3kkl h ILE 171 Ca -0.01 -1.79 -0.02 0.00 -0.12 0.00 0.00 64.86 62.93 3kkl h ILE 171 Cb 1.05 1.89 -0.04 0.00 -3.03 0.00 0.00 36.82 36.68 3kkl h ILE 171 CO 0.07 0.57 0.46 0.00 -0.68 0.00 0.00 178.15 178.57 3kkl h ALA 172 N 0.59 1.09 0.00 1.87 0.00 -0.84 -2.20 119.26 119.77 3kkl h ALA 172 Ca -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3kkl h ALA 172 Cb 1.19 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3kkl h ALA 172 CO 0.12 0.60 0.00 -0.07 0.00 0.00 0.00 179.25 179.90 3kkl h LEU 173 N 1.18 0.00 -0.38 0.00 3.38 -1.30 -3.47 115.31 114.72 3kkl h LEU 173 Ca 0.30 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.23 3kkl h LEU 173 Cb 0.04 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.79 3kkl h LEU 173 CO -0.05 0.00 -0.05 0.61 0.09 0.00 0.00 178.44 179.04 3kkl n GLY 174 N 0.65 0.57 0.00 0.83 0.00 -0.83 -4.97 105.19 101.44 3kkl n GLY 174 Ca 0.03 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 -3.34 0.65 0.15 1.61 0.24 -0.81 -4.74 118.33 112.09 3kkl n VAL 175 Ca -0.01 -0.75 0.02 0.00 -2.04 0.00 0.00 64.34 61.56 3kkl n VAL 175 Cb 0.51 0.71 0.21 0.00 -1.47 0.00 0.00 33.84 33.80 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 0.00 -0.70 -1.34 2.03 -1.80 -1.32 116.42 113.29 3kkl h ASP 176 Ca 0.00 0.00 0.06 0.00 -0.73 0.00 0.00 57.03 56.36 3kkl h ASP 176 Cb 0.47 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 38.91 3kkl h ASP 176 CO 0.00 0.53 0.40 -2.24 -1.03 0.00 0.00 179.24 176.89 3kkl h ASP 177 N 0.00 0.60 -0.63 4.15 3.04 -1.89 -2.94 116.42 118.75 3kkl h ASP 177 Ca -0.01 0.03 0.02 0.00 -3.24 0.00 0.00 57.03 53.83 3kkl h ASP 177 Cb 1.09 -0.09 -0.03 0.00 -1.04 0.00 0.00 39.33 39.26 3kkl h ASP 177 CO 0.07 0.38 0.41 0.40 -2.04 0.00 0.00 179.24 178.47 3kkl h ILE 178 N 0.73 1.12 -0.27 4.15 5.03 -1.58 -1.53 117.51 125.16 3kkl h ILE 178 Ca 0.31 -0.27 -0.00 0.00 -0.12 0.00 0.00 64.86 64.78 3kkl h ILE 178 Cb 0.19 0.26 -0.01 0.00 -3.03 0.00 0.00 36.82 34.22 3kkl h ILE 178 CO -0.18 0.14 0.16 -0.07 -0.68 0.00 0.00 178.15 177.53 3kkl h LEU 179 N 0.79 0.33 0.00 1.44 3.38 -1.34 -1.59 115.31 118.31 3kkl h LEU 179 Ca 0.24 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 58.07 3kkl h LEU 179 Cb 0.01 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3kkl h LEU 179 CO -0.06 0.28 -0.52 0.08 0.09 0.00 0.00 178.44 178.31 3kkl h ARG 180 N 0.34 0.00 -0.10 1.13 0.11 -1.33 0.16 114.38 114.68 3kkl h ARG 180 Ca 0.10 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.11 3kkl h ARG 180 Cb 0.02 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.10 3kkl h ARG 180 CO -0.02 0.40 -0.21 0.77 0.10 0.00 0.00 179.97 181.01 3kkl h SER 181 N 0.00 0.37 -0.18 0.08 0.02 -1.28 -3.29 113.55 109.26 3kkl h SER 181 Ca -0.02 -0.56 0.00 0.00 -0.84 0.00 0.00 61.79 60.37 3kkl h SER 181 Cb 1.34 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.77 3kkl h SER 181 CO 0.05 0.86 0.00 -1.14 -1.14 0.00 0.00 176.83 175.47 3kkl n ARG 182 N -4.51 1.96 -3.77 3.45 3.00 -0.60 -4.95 116.66 111.24 3kkl n ARG 182 Ca -0.07 -1.43 -0.23 0.00 -0.00 0.00 0.00 57.85 56.11 3kkl n ARG 182 Cb 0.42 -1.44 0.02 0.00 0.00 0.00 0.00 32.46 31.46 3kkl n ARG 182 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3kkl n LYS 183 N 0.67 -4.68 -3.28 -0.14 5.02 -0.71 -5.00 118.16 110.04 3kkl n LYS 183 Ca 0.17 0.58 -0.21 0.00 -2.02 0.00 0.00 58.31 56.83 3kkl n LYS 183 Cb 0.42 -5.10 0.00 0.00 -0.02 0.00 0.00 35.03 30.34 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 -6.79 3.85 0.51 -0.35 1.43 0.47 -5.03 118.68 112.75 3kkl s LEU 184 Ca 0.08 0.08 0.04 0.00 -1.03 0.00 0.00 54.13 53.30 3kkl s LEU 184 Cb -0.04 -2.98 0.00 0.00 0.03 0.00 0.00 46.19 43.21 3kkl s LEU 184 CO 0.83 -0.52 0.20 0.28 0.23 0.00 0.00 176.35 177.36 3kkl s THR 185 N -2.34 1.56 0.30 5.49 -1.32 -1.26 -4.69 115.64 113.38 3kkl s THR 185 Ca 0.45 -1.74 0.09 0.00 -1.21 0.00 0.00 61.69 59.28 3kkl s THR 185 Cb -0.10 -2.30 -0.06 0.00 -1.51 0.00 0.00 72.50 68.53 3kkl s THR 185 CO 0.34 0.00 -0.10 0.42 -2.21 0.00 0.00 174.62 173.07 3kkl s THR 186 N -2.79 2.02 0.18 5.08 -4.23 -1.26 -5.02 115.64 109.63 3kkl s THR 186 Ca 0.23 -2.21 -0.12 0.00 -1.18 0.00 0.00 61.69 58.42 3kkl s THR 186 Cb 0.01 -2.48 0.10 0.00 1.34 0.00 0.00 72.50 71.46 3kkl s THR 186 CO 0.14 -0.29 1.81 0.58 -0.54 0.00 0.00 174.62 176.31 3kkl h VAL 187 N 2.19 1.20 -0.46 2.29 2.07 -1.95 -0.74 116.25 120.84 3kkl h VAL 187 Ca -0.41 -0.47 0.06 0.00 0.82 0.00 0.00 66.70 66.70 3kkl h VAL 187 Cb 1.24 0.37 -0.05 0.00 -1.52 0.00 0.00 31.29 31.33 3kkl h VAL 187 CO 0.67 0.21 0.17 1.05 0.02 0.00 0.00 177.57 179.69 3kkl h GLU 188 N 0.85 0.33 -0.69 1.57 9.09 -1.95 0.41 114.58 124.20 3kkl h GLU 188 Ca 0.22 -0.02 -0.01 0.00 0.05 0.00 0.00 59.36 59.61 3kkl h GLU 188 Cb 0.02 -0.07 -0.03 0.00 -1.65 0.00 0.00 28.75 27.01 3kkl h GLU 188 CO -0.04 0.22 0.41 -0.09 0.05 0.00 0.00 179.01 179.56 3kkl h ARG 189 N 0.34 0.94 -0.58 1.06 9.65 -1.82 0.73 114.38 124.70 3kkl h ARG 189 Ca 0.22 -0.09 -0.01 0.00 -1.10 0.00 0.00 59.98 59.00 3kkl h ARG 189 Cb 0.21 -0.19 -0.03 0.00 -1.39 0.00 0.00 29.97 28.57 3kkl h ARG 189 CO -0.22 0.67 0.34 0.28 2.80 0.00 0.00 179.97 183.84 3kkl h VAL 190 N 0.94 1.18 0.23 0.20 2.07 -0.63 0.13 116.25 120.37 3kkl h VAL 190 Ca 0.25 -0.42 0.01 0.00 0.82 0.00 0.00 66.70 67.36 3kkl h VAL 190 Cb -0.02 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.13 3kkl h VAL 190 CO -0.05 0.19 -0.38 0.00 0.02 0.00 0.00 177.57 177.36 3kkl h ALA 191 N 1.16 -0.72 -0.53 1.67 0.00 0.30 -1.70 119.26 119.44 3kkl h ALA 191 Ca 0.21 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3kkl h ALA 191 Cb 0.01 0.59 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 3kkl h ALA 191 CO -0.04 -0.96 0.34 -0.91 0.00 0.00 0.00 179.25 177.69 3kkl h ASN 192 N -0.68 0.58 0.13 0.00 2.35 -0.40 -0.09 115.58 117.47 3kkl h ASN 192 Ca 0.00 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 3kkl h ASN 192 Cb 0.66 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.89 3kkl h ASN 192 CO -0.15 0.41 -0.09 0.50 -1.65 0.00 0.00 177.43 176.45 3kkl h LYS 193 N 0.69 0.00 -0.25 0.81 3.64 -0.54 -2.70 116.57 118.21 3kkl h LYS 193 Ca 0.20 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.55 3kkl h LYS 193 Cb -0.04 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 3kkl h LYS 193 CO -0.06 0.09 -0.01 0.09 -2.27 0.00 0.00 179.45 177.29 3kkl n ASN 194 N -4.13 3.53 -0.78 4.20 3.02 -0.66 -4.96 115.26 115.49 3kkl n ASN 194 Ca -0.03 -3.15 -0.08 0.00 -0.03 0.00 0.00 54.58 51.30 3kkl n ASN 194 Cb 0.17 -0.55 -0.02 0.00 -0.61 0.00 0.00 39.78 38.77 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 -0.70 0.59 3.77 7.41 0.00 -1.02 -2.91 105.19 112.34 3kkl n GLY 195 Ca 0.23 -0.61 -0.22 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.36 3.55 -0.25 4.61 0.00 -0.11 0.35 121.76 127.55 3kkl s ALA 196 Ca 0.00 -1.64 -0.10 0.00 0.00 0.00 0.00 51.96 50.22 3kkl s ALA 196 Cb 0.00 -1.01 -0.05 0.00 0.00 0.00 0.00 23.12 22.07 3kkl s ALA 196 CO 0.00 0.13 0.14 0.21 0.00 0.00 0.00 175.76 176.24 3kkl s LYS 197 N -3.85 3.94 -0.05 0.00 2.47 0.50 -4.10 119.74 118.63 3kkl s LYS 197 Ca 0.36 -0.34 -0.20 0.00 -1.56 0.00 0.00 55.97 54.23 3kkl s LYS 197 Cb -0.06 -3.51 -0.05 0.00 -1.46 0.00 0.00 37.83 32.76 3kkl s LYS 197 CO 0.24 -0.06 0.58 -0.47 0.16 0.00 0.00 175.35 175.80 3kkl s TYR 198 N 1.37 3.61 -0.12 4.03 6.14 -1.26 0.00 117.35 131.12 3kkl s TYR 198 Ca 0.07 1.11 0.01 0.00 0.64 0.00 0.00 57.07 58.90 3kkl s TYR 198 Cb -0.15 -2.63 0.02 0.00 0.42 0.00 0.00 41.96 39.62 3kkl s TYR 198 CO 0.06 0.24 -0.14 -0.51 0.64 0.00 0.00 175.55 175.85 3kkl s LEU 199 N 0.27 1.65 0.23 6.97 1.43 0.13 -4.92 118.68 124.43 3kkl s LEU 199 Ca 0.31 -0.42 -0.09 0.00 -1.03 0.00 0.00 54.13 52.90 3kkl s LEU 199 Cb -0.17 -1.07 -0.07 0.00 0.03 0.00 0.00 46.19 44.91 3kkl s LEU 199 CO 0.15 -0.02 0.54 0.00 0.23 0.00 0.00 176.35 177.26 3kkl s ALA 200 N 1.17 3.57 0.76 4.21 0.00 -1.26 -4.38 121.76 125.84 3kkl s ALA 200 Ca -0.03 -0.29 -0.11 0.00 0.00 0.00 0.00 51.96 51.53 3kkl s ALA 200 Cb -0.14 -2.42 0.05 0.00 0.00 0.00 0.00 23.12 20.60 3kkl s ALA 200 CO -0.04 0.50 1.08 -1.25 0.00 0.00 0.00 175.76 176.05 3kkl s PRO 201 N -2.85 2.41 0.03 0.00 0.04 -1.26 -4.99 135.00 128.38 3kkl s PRO 201 Ca 0.47 0.79 -0.22 0.00 0.04 0.00 0.00 61.00 62.08 3kkl s PRO 201 Cb -0.11 -1.94 -0.15 0.00 0.04 0.00 0.00 34.50 32.33 3kkl s PRO 201 CO 0.22 -1.43 1.38 0.82 0.04 0.00 0.00 177.00 178.03 3kkl h ILE 202 N -0.95 1.32 -3.02 0.56 2.04 -1.98 -3.44 117.51 112.03 3kkl h ILE 202 Ca -0.46 -1.09 -0.64 0.00 1.00 0.00 0.00 64.86 63.67 3kkl h ILE 202 Cb 1.24 1.81 -0.17 0.00 -0.74 0.00 0.00 36.82 38.97 3kkl h ILE 202 CO 0.58 0.31 -0.78 -1.00 0.00 0.00 0.00 178.15 177.26 3kkl s HIS 203 N -4.54 2.41 0.37 1.37 3.76 -1.26 -5.05 115.29 112.35 3kkl s HIS 203 Ca -0.15 -0.31 0.19 0.00 -0.15 0.00 0.00 55.06 54.64 3kkl s HIS 203 Cb 0.05 -1.17 1.00 0.00 1.11 0.00 0.00 32.58 33.57 3kkl s HIS 203 CO 0.72 0.53 1.92 -1.35 -0.85 0.00 0.00 174.74 175.71 3kkl h PRO 204 N 3.00 0.00 -0.62 8.40 0.11 -1.94 -2.20 132.00 138.74 3kkl h PRO 204 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3kkl h PRO 204 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3kkl h PRO 204 CO 0.51 0.25 0.00 0.91 -0.21 0.00 0.00 178.00 179.47 3kkl n TRP 205 N -3.90 1.04 -2.50 0.65 7.02 -1.26 -4.77 117.44 113.73 3kkl n TRP 205 Ca -0.02 -0.45 -0.33 0.00 -1.02 0.00 0.00 57.50 55.68 3kkl n TRP 205 Cb 0.34 -0.12 -0.03 0.00 -2.42 0.00 0.00 31.31 29.07 3kkl n TRP 205 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 3kkl s ASP 206 N -0.90 6.40 -0.44 -0.99 1.01 -0.83 -4.78 116.67 116.14 3kkl s ASP 206 Ca 0.41 1.82 -0.28 0.00 0.71 0.00 0.00 52.55 55.21 3kkl s ASP 206 Cb 0.24 -2.55 -0.00 0.00 1.01 0.00 0.00 42.92 41.62 3kkl s ASP 206 CO 0.23 -0.74 1.60 -0.62 0.21 0.00 0.00 175.17 175.86 3kkl s ASP 207 N -2.29 6.01 -0.12 0.27 -1.08 -1.26 -4.60 116.67 113.59 3kkl s ASP 207 Ca 0.65 0.83 -0.06 0.00 -0.52 0.00 0.00 52.55 53.44 3kkl s ASP 207 Cb -0.14 -2.53 0.05 0.00 -1.46 0.00 0.00 42.92 38.83 3kkl s ASP 207 CO 0.23 -1.70 0.28 -0.47 0.52 0.00 0.00 175.17 174.03 3kkl s TYR 208 N 6.52 -0.39 0.22 -5.34 6.14 -1.26 -4.97 117.35 118.27 3kkl s TYR 208 Ca 0.67 0.90 -0.19 0.00 0.64 0.00 0.00 57.07 59.09 3kkl s TYR 208 Cb -0.16 0.10 0.03 0.00 0.42 0.00 0.00 41.96 42.35 3kkl s TYR 208 CO 0.30 -0.26 0.59 -1.54 0.64 0.00 0.00 175.55 175.28 3kkl s SER 209 N 1.25 -0.28 -0.02 4.32 1.04 -1.26 -1.82 113.70 116.93 3kkl s SER 209 Ca -0.09 -0.51 -0.04 0.00 0.48 0.00 0.00 55.95 55.79 3kkl s SER 209 Cb -0.10 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.65 3kkl s SER 209 CO -0.09 -1.14 0.09 -0.63 0.98 0.00 0.00 173.24 172.45 3kkl s ILE 210 N -3.89 0.05 -0.22 -1.02 1.01 0.78 -4.97 121.20 112.94 3kkl s ILE 210 Ca 0.10 -0.40 -0.03 0.00 0.00 0.00 0.00 60.65 60.32 3kkl s ILE 210 Cb -0.02 -0.27 0.00 0.00 0.01 0.00 0.00 42.46 42.17 3kkl s ILE 210 CO 0.00 -0.22 -0.07 -0.89 0.00 0.00 0.00 174.94 173.76 3kkl s THR 211 N -0.71 3.09 -0.52 2.92 2.01 -1.26 -1.39 115.64 119.77 3kkl s THR 211 Ca -0.08 -0.63 0.04 0.00 0.31 0.00 0.00 61.69 61.33 3kkl s THR 211 Cb -0.05 -2.41 0.13 0.00 0.01 0.00 0.00 72.50 70.19 3kkl s THR 211 CO 0.00 0.42 0.27 -0.62 -0.69 0.00 0.00 174.62 174.00 3kkl s ASP 212 N 1.43 4.27 1.53 3.53 -1.08 -0.03 -5.02 116.67 121.31 3kkl s ASP 212 Ca 0.05 -3.02 0.00 0.00 -0.52 0.00 0.00 52.55 49.06 3kkl s ASP 212 Cb -0.14 -1.59 0.00 0.00 -1.46 0.00 0.00 42.92 39.73 3kkl s ASP 212 CO -0.05 -0.23 0.00 0.61 0.52 0.00 0.00 175.17 176.02 3kkl n GLY 213 N 3.09 2.84 1.08 2.66 0.00 -1.26 -1.64 105.19 111.96 3kkl n GLY 213 Ca 0.06 -0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.11 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 9.33 2.52 -3.67 1.61 4.76 -1.26 -4.84 118.16 126.61 3kkl n LYS 214 Ca 0.00 -2.30 -0.39 0.00 -2.87 0.00 0.00 58.31 52.75 3kkl n LYS 214 Cb 0.00 -1.47 -0.12 0.00 -1.84 0.00 0.00 35.03 31.61 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 -1.19 4.28 -0.07 -0.35 2.96 -0.65 -1.56 118.68 122.11 3kkl s LEU 215 Ca 0.38 -0.78 0.04 0.00 -0.22 0.00 0.00 54.13 53.55 3kkl s LEU 215 Cb 0.21 -1.97 -0.02 0.00 0.50 0.00 0.00 46.19 44.91 3kkl s LEU 215 CO 0.28 -0.27 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.15 3kkl s VAL 216 N 1.55 2.48 0.04 1.68 1.01 -0.24 -0.85 120.40 126.06 3kkl s VAL 216 Ca 0.03 -0.91 -0.01 0.00 0.00 0.00 0.00 61.98 61.08 3kkl s VAL 216 Cb -0.18 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 3kkl s VAL 216 CO 0.05 0.57 -0.01 0.42 0.00 0.00 0.00 175.10 176.13 3kkl s THR 217 N -0.22 0.18 0.25 3.92 -4.23 -0.49 -2.14 115.64 112.91 3kkl s THR 217 Ca -0.01 -1.44 -0.03 0.00 -1.18 0.00 0.00 61.69 59.03 3kkl s THR 217 Cb -0.13 -1.07 -0.02 0.00 1.34 0.00 0.00 72.50 72.61 3kkl s THR 217 CO 0.03 -0.80 0.28 -0.83 -0.54 0.00 0.00 174.62 172.76 3kkl s GLY 218 N -2.40 1.36 -0.12 3.99 0.00 0.13 -0.16 107.32 110.12 3kkl s GLY 218 Ca -0.01 -1.54 -0.04 0.00 0.00 0.00 0.00 44.72 43.13 3kkl s GLY 218 CO -0.07 -1.18 0.35 -0.62 0.00 0.00 0.00 173.10 171.58 3kkl n VAL 219 N -0.38 1.74 -3.02 1.40 0.31 -0.76 -2.10 118.33 115.52 3kkl n VAL 219 Ca 0.02 -0.67 0.00 0.00 -0.01 0.00 0.00 64.34 63.68 3kkl n VAL 219 Cb 0.64 -1.63 0.00 0.00 -0.91 0.00 0.00 33.84 31.94 3kkl n VAL 219 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 3kkl n ASN 220 N -3.41 0.00 0.00 4.52 0.23 -1.26 -2.43 115.26 112.91 3kkl n ASN 220 Ca -0.32 -0.94 -0.12 0.00 -0.53 0.00 0.00 54.58 52.67 3kkl n ASN 220 Cb 1.05 0.00 0.01 0.00 -2.08 0.00 0.00 39.78 38.75 3kkl n ASN 220 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3kkl h ALA 221 N 2.00 0.56 -0.04 -2.53 0.00 -1.95 -2.52 119.26 114.77 3kkl h ALA 221 Ca 0.00 -0.56 0.01 0.00 0.00 0.00 0.00 54.91 54.36 3kkl h ALA 221 Cb 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3kkl h ALA 221 CO 0.00 0.71 0.56 -0.91 0.00 0.00 0.00 179.25 179.61 3kkl h ASN 222 N 0.43 0.00 -0.54 0.00 2.35 -1.90 -1.66 115.58 114.27 3kkl h ASN 222 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3kkl h ASN 222 Cb 1.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.60 3kkl h ASN 222 CO 0.12 0.00 0.00 -1.20 -1.65 0.00 0.00 177.43 174.70 3kkl n SER 223 N -2.82 3.48 0.00 5.81 7.64 -0.95 -4.46 113.62 122.33 3kkl n SER 223 Ca -0.00 -1.98 -0.17 0.00 1.01 0.00 0.00 58.87 57.72 3kkl n SER 223 Cb 0.60 -0.36 -0.11 0.00 -1.01 0.00 0.00 64.21 63.34 3kkl n SER 223 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 3kkl h SER 224 N 3.43 0.57 -0.14 6.43 0.87 -1.35 0.16 113.55 123.51 3kkl h SER 224 Ca 0.00 -0.74 0.05 0.00 -1.23 0.00 0.00 61.79 59.87 3kkl h SER 224 Cb 0.88 -0.17 -0.06 0.00 -0.44 0.00 0.00 62.40 62.61 3kkl h SER 224 CO 0.00 1.23 -0.23 0.22 -0.53 0.00 0.00 176.83 177.52 3kkl h TYR 225 N -0.04 -0.61 -0.04 2.24 3.20 -1.82 -0.40 116.97 119.49 3kkl h TYR 225 Ca -0.07 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.77 3kkl h TYR 225 Cb 1.31 0.29 -0.01 0.00 1.54 0.00 0.00 36.73 39.86 3kkl h TYR 225 CO 0.14 -0.31 -0.24 0.77 -1.64 0.00 0.00 178.16 176.88 3kkl h SER 226 N -0.29 0.07 0.47 -2.11 0.02 -1.75 -0.44 113.55 109.53 3kkl h SER 226 Ca 0.10 -0.02 -0.29 0.00 -0.84 0.00 0.00 61.79 60.74 3kkl h SER 226 Cb 0.44 -0.02 0.02 0.00 0.14 0.00 0.00 62.40 62.98 3kkl h SER 226 CO -0.31 0.32 -1.30 0.74 -1.14 0.00 0.00 176.83 175.14 3kkl h THR 227 N 0.07 1.42 -0.30 -2.27 2.02 -0.38 -1.41 112.91 112.05 3kkl h THR 227 Ca 0.01 -2.88 -0.14 0.00 0.77 0.00 0.00 66.41 64.17 3kkl h THR 227 Cb 0.47 2.93 -0.01 0.00 -1.74 0.00 0.00 68.15 69.80 3kkl h THR 227 CO 0.03 0.85 -0.37 0.00 0.37 0.00 0.00 175.52 176.40 3kkl h THR 228 N 0.12 1.29 -0.40 3.16 1.03 -0.36 -0.31 112.91 117.44 3kkl h THR 228 Ca -0.17 -1.53 0.04 0.00 -0.01 0.00 0.00 66.41 64.73 3kkl h THR 228 Cb 2.00 1.46 -0.04 0.00 -1.07 0.00 0.00 68.15 70.51 3kkl h THR 228 CO 0.23 0.49 0.18 0.40 -0.01 0.00 0.00 175.52 176.81 3kkl h ILE 229 N 0.57 0.94 -0.49 0.00 1.08 -1.05 -1.76 117.51 116.80 3kkl h ILE 229 Ca 0.05 -0.13 -0.02 0.00 -0.39 0.00 0.00 64.86 64.38 3kkl h ILE 229 Cb 0.90 0.54 -0.02 0.00 -3.07 0.00 0.00 36.82 35.16 3kkl h ILE 229 CO 0.08 0.07 0.22 0.03 -0.69 0.00 0.00 178.15 177.86 3kkl h ARG 230 N 0.37 0.69 -0.43 2.37 3.08 -0.83 -0.61 114.38 119.02 3kkl h ARG 230 Ca 0.18 -0.09 -0.07 0.00 0.07 0.00 0.00 59.98 60.07 3kkl h ARG 230 Cb 0.11 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 3kkl h ARG 230 CO -0.15 0.55 -0.01 0.00 -1.07 0.00 0.00 179.97 179.30 3kkl h ALA 231 N 1.55 0.58 0.14 0.04 0.00 -0.39 -0.85 119.26 120.33 3kkl h ALA 231 Ca 0.17 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3kkl h ALA 231 Cb 0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3kkl h ALA 231 CO -0.02 0.38 -0.13 0.82 0.00 0.00 0.00 179.25 180.29 3kkl h ILE 232 N 0.60 0.70 -0.74 0.00 2.04 -0.94 -2.83 117.51 116.34 3kkl h ILE 232 Ca 0.12 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.03 3kkl h ILE 232 Cb 0.50 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 37.23 3kkl h ILE 232 CO 0.02 0.00 0.44 0.78 0.00 0.00 0.00 178.15 179.40 3kkl h ASN 233 N -0.30 0.70 0.12 1.72 2.35 -0.97 -2.58 115.58 116.62 3kkl h ASN 233 Ca 0.00 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 3kkl h ASN 233 Cb 0.28 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.52 3kkl h ASN 233 CO -0.03 0.46 -0.03 0.00 -1.65 0.00 0.00 177.43 176.18 3kkl h ALA 234 N 1.35 1.33 -0.79 -0.83 0.00 -0.91 -1.25 119.26 118.16 3kkl h ALA 234 Ca 0.32 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.28 3kkl h ALA 234 Cb 0.13 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 3kkl h ALA 234 CO -0.16 0.04 0.51 -0.07 0.00 0.00 0.00 179.25 179.57 3kkl h LEU 235 N 0.00 0.70 -6.53 0.00 3.38 -1.36 -3.12 115.31 108.38 3kkl h LEU 235 Ca -0.00 0.01 -0.78 0.00 0.09 0.00 0.00 57.88 57.20 3kkl h LEU 235 Cb 0.10 -0.14 -0.22 0.00 0.09 0.00 0.00 40.66 40.49 3kkl h LEU 235 CO 0.00 0.43 1.44 -1.22 0.09 0.00 0.00 178.44 179.18 3kkl n TYR 236 N -4.49 2.56 -1.87 1.13 4.02 -0.47 -5.09 117.16 112.94 3kkl n TYR 236 Ca 0.12 -2.67 0.00 0.00 -0.01 0.00 0.00 57.90 55.35 3kkl n TYR 236 Cb 0.27 -1.56 0.00 0.00 -0.02 0.00 0.00 39.34 38.03 3kkl n TYR 236 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30