#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k1k h GLY 4 N 0.00 0.02 0.10 0.72 0.00 -1.87 -3.24 103.07 98.80 3k1k h GLY 4 Ca 0.00 -0.02 0.22 0.00 0.00 0.00 0.00 47.33 47.52 3k1k h GLY 4 CO 0.00 0.02 0.62 0.83 0.00 0.00 0.00 176.54 178.02 3k1k h GLU 5 N 0.01 0.54 -1.16 4.80 3.07 -1.97 -2.78 114.58 117.09 3k1k h GLU 5 Ca -0.01 -0.03 0.33 0.00 -0.50 0.00 0.00 59.36 59.15 3k1k h GLU 5 Cb 1.11 -0.12 -0.05 0.00 -0.84 0.00 0.00 28.75 28.84 3k1k h GLU 5 CO 0.08 0.36 0.82 0.93 -1.40 0.00 0.00 179.01 179.80 3k1k h GLU 6 N 0.55 0.05 0.00 2.33 5.08 -1.95 -0.68 114.58 119.97 3k1k h GLU 6 Ca 0.55 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.91 3k1k h GLU 6 Cb 1.15 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.39 3k1k h GLU 6 CO -0.30 0.03 0.00 -0.07 -1.00 0.00 0.00 179.01 177.67 3k1k h LEU 7 N 0.05 0.00 -2.49 1.33 3.38 -1.77 -3.25 115.31 112.56 3k1k h LEU 7 Ca 0.57 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.54 3k1k h LEU 7 Cb 2.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.91 3k1k h LEU 7 CO -0.05 0.00 0.00 0.49 0.09 0.00 0.00 178.44 178.97 3k1k n PHE 8 N -3.00 0.44 0.15 1.13 3.01 -0.26 -4.61 117.46 114.32 3k1k n PHE 8 Ca 0.01 -0.36 0.05 0.00 1.01 0.00 0.00 57.45 58.16 3k1k n PHE 8 Cb 0.34 -0.01 0.24 0.00 -0.01 0.00 0.00 39.48 40.04 3k1k n PHE 8 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 3k1k n THR 9 N 0.82 1.50 -0.44 4.37 -2.24 -1.23 -4.11 114.28 112.95 3k1k n THR 9 Ca 0.13 0.50 0.00 0.00 -2.27 0.00 0.00 64.05 62.41 3k1k n THR 9 Cb 0.45 -1.45 0.00 0.00 -2.10 0.00 0.00 70.33 67.22 3k1k n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k1k n GLY 10 N -1.08 5.41 3.33 3.38 0.00 -1.26 -4.87 105.19 110.09 3k1k n GLY 10 Ca 0.00 -1.30 -0.39 0.00 0.00 0.00 0.00 46.02 44.34 3k1k n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k1k s VAL 11 N 2.66 4.21 -0.08 1.61 1.01 -1.26 -4.12 120.40 124.44 3k1k s VAL 11 Ca 0.00 -1.00 -0.14 0.00 0.00 0.00 0.00 61.98 60.84 3k1k s VAL 11 Cb 0.00 -3.37 -0.05 0.00 0.00 0.00 0.00 36.38 32.96 3k1k s VAL 11 CO 0.00 -0.22 0.36 -0.69 0.00 0.00 0.00 175.10 174.55 3k1k s VAL 12 N 1.48 5.18 0.49 2.92 1.01 -0.52 -4.89 120.40 126.08 3k1k s VAL 12 Ca 0.00 0.72 -0.22 0.00 0.00 0.00 0.00 61.98 62.48 3k1k s VAL 12 Cb -0.19 -3.68 -0.07 0.00 0.00 0.00 0.00 36.38 32.44 3k1k s VAL 12 CO 0.05 0.48 1.15 -2.84 0.00 0.00 0.00 175.10 173.94 3k1k s PRO 13 N -0.32 3.60 -0.04 2.72 0.02 -1.26 -0.89 135.00 138.83 3k1k s PRO 13 Ca 0.21 1.72 0.05 0.00 0.02 0.00 0.00 61.00 62.99 3k1k s PRO 13 Cb -0.15 -2.26 -0.00 0.00 0.02 0.00 0.00 34.50 32.11 3k1k s PRO 13 CO 0.09 -0.67 -0.18 0.42 -0.33 0.00 0.00 177.00 176.34 3k1k s ILE 14 N -1.63 1.48 -0.02 2.83 1.01 0.17 -0.84 121.20 124.20 3k1k s ILE 14 Ca 0.67 -0.75 0.07 0.00 0.00 0.00 0.00 60.65 60.64 3k1k s ILE 14 Cb -0.27 -1.26 -0.02 0.00 0.01 0.00 0.00 42.46 40.91 3k1k s ILE 14 CO 0.32 0.42 -0.21 -0.22 0.00 0.00 0.00 174.94 175.25 3k1k s LEU 15 N -0.03 2.36 -0.05 2.97 2.96 -0.28 -1.61 118.68 125.01 3k1k s LEU 15 Ca -0.03 -0.38 0.02 0.00 -0.22 0.00 0.00 54.13 53.52 3k1k s LEU 15 Cb -0.11 -1.43 0.01 0.00 0.50 0.00 0.00 46.19 45.16 3k1k s LEU 15 CO 0.02 0.32 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.57 3k1k s VAL 16 N -0.71 0.93 -0.06 1.68 1.01 0.68 -1.71 120.40 122.23 3k1k s VAL 16 Ca 0.11 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.71 3k1k s VAL 16 Cb -0.10 -0.85 0.02 0.00 0.00 0.00 0.00 36.38 35.44 3k1k s VAL 16 CO 0.01 0.30 -0.08 -1.61 0.00 0.00 0.00 175.10 173.72 3k1k s GLU 17 N 0.49 1.23 -0.04 2.72 0.41 -0.39 -0.63 118.70 122.49 3k1k s GLU 17 Ca -0.09 -0.24 0.02 0.00 -0.41 0.00 0.00 54.97 54.25 3k1k s GLU 17 Cb -0.13 -1.11 0.01 0.00 -1.78 0.00 0.00 34.13 31.12 3k1k s GLU 17 CO 0.02 -0.04 -0.09 -1.17 -0.49 0.00 0.00 175.26 173.48 3k1k s LEU 18 N 0.85 1.69 -0.13 1.80 0.20 -0.27 -0.42 118.68 122.39 3k1k s LEU 18 Ca -0.12 -0.21 -0.03 0.00 0.69 0.00 0.00 54.13 54.46 3k1k s LEU 18 Cb -0.15 -0.62 -0.03 0.00 -0.43 0.00 0.00 46.19 44.97 3k1k s LEU 18 CO 0.01 0.04 -0.04 -1.81 -0.29 0.00 0.00 176.35 174.27 3k1k s ASP 19 N 0.40 4.85 0.12 3.68 1.01 -0.64 -0.77 116.67 125.31 3k1k s ASP 19 Ca -0.07 -0.06 0.03 0.00 0.71 0.00 0.00 52.55 53.15 3k1k s ASP 19 Cb -0.11 -1.63 -0.04 0.00 1.01 0.00 0.00 42.92 42.14 3k1k s ASP 19 CO 0.01 0.24 -0.08 -0.83 0.21 0.00 0.00 175.17 174.72 3k1k s GLY 20 N -0.03 0.87 -0.26 0.21 0.00 -0.38 -0.90 107.32 106.82 3k1k s GLY 20 Ca 0.01 -1.40 -0.02 0.00 0.00 0.00 0.00 44.72 43.32 3k1k s GLY 20 CO 0.03 -1.50 0.29 -0.35 0.00 0.00 0.00 173.10 171.56 3k1k s ASP 21 N -3.08 1.34 -0.31 1.64 -1.08 0.19 -2.10 116.67 113.27 3k1k s ASP 21 Ca 0.13 -0.44 -0.05 0.00 -0.52 0.00 0.00 52.55 51.68 3k1k s ASP 21 Cb 0.04 0.58 0.03 0.00 -1.46 0.00 0.00 42.92 42.11 3k1k s ASP 21 CO -0.03 -0.36 0.05 -0.69 0.52 0.00 0.00 175.17 174.67 3k1k s VAL 22 N 2.38 3.52 -1.57 1.11 1.01 -0.50 -0.75 120.40 125.60 3k1k s VAL 22 Ca 0.09 -1.08 -0.01 0.00 0.00 0.00 0.00 61.98 60.98 3k1k s VAL 22 Cb -0.15 -2.93 0.00 0.00 0.00 0.00 0.00 36.38 33.31 3k1k s VAL 22 CO -0.24 -0.05 0.11 0.59 0.00 0.00 0.00 175.10 175.50 3k1k n ASN 23 N 4.76 -5.41 0.00 3.32 4.13 -0.36 -1.00 115.26 120.70 3k1k n ASN 23 Ca -0.14 -0.02 0.00 0.00 1.68 0.00 0.00 54.58 56.10 3k1k n ASN 23 Cb 0.45 -4.50 0.00 0.00 -1.54 0.00 0.00 39.78 34.20 3k1k n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3k1k n GLY 24 N -1.05 0.72 3.53 7.41 0.00 -1.26 -5.00 105.19 109.55 3k1k n GLY 24 Ca -0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 3k1k n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3k1k s HIS 25 N -2.96 3.02 0.37 1.61 3.76 -0.17 -5.05 115.29 115.87 3k1k s HIS 25 Ca 0.00 0.10 -0.03 0.00 -0.15 0.00 0.00 55.06 54.98 3k1k s HIS 25 Cb 0.00 -3.55 -0.04 0.00 1.11 0.00 0.00 32.58 30.10 3k1k s HIS 25 CO 0.00 -0.94 0.62 0.15 -0.85 0.00 0.00 174.74 173.71 3k1k s LYS 26 N 3.13 3.55 -0.00 1.40 1.02 -1.26 -1.41 119.74 126.16 3k1k s LYS 26 Ca 0.27 -0.09 -0.29 0.00 0.02 0.00 0.00 55.97 55.88 3k1k s LYS 26 Cb -0.13 -2.58 0.10 0.00 -0.52 0.00 0.00 37.83 34.71 3k1k s LYS 26 CO 0.21 0.07 1.07 -0.59 -0.92 0.00 0.00 175.35 175.20 3k1k s PHE 27 N -2.36 -0.17 0.01 3.18 -0.71 -0.89 -4.88 117.98 112.16 3k1k s PHE 27 Ca 0.43 0.01 -0.10 0.00 -1.04 0.00 0.00 56.93 56.23 3k1k s PHE 27 Cb -0.10 0.56 0.01 0.00 -1.21 0.00 0.00 43.02 42.28 3k1k s PHE 27 CO 0.36 -0.49 0.20 -1.54 -1.34 0.00 0.00 175.22 172.42 3k1k s SER 28 N -2.67 -0.02 0.00 1.98 1.04 -1.26 -1.25 113.70 111.51 3k1k s SER 28 Ca 0.10 -0.19 0.01 0.00 0.48 0.00 0.00 55.95 56.35 3k1k s SER 28 Cb 0.00 0.26 -0.00 0.00 0.10 0.00 0.00 66.02 66.38 3k1k s SER 28 CO -0.04 -0.45 -0.03 -0.69 0.98 0.00 0.00 173.24 173.01 3k1k s VAL 29 N -1.75 0.24 -0.02 5.02 1.01 0.05 -1.36 120.40 123.59 3k1k s VAL 29 Ca -0.11 -0.18 0.08 0.00 0.00 0.00 0.00 61.98 61.76 3k1k s VAL 29 Cb -0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 36.38 36.09 3k1k s VAL 29 CO 0.01 0.03 -0.25 -0.44 0.00 0.00 0.00 175.10 174.45 3k1k s SER 30 N -0.17 3.19 0.05 3.32 0.01 -0.80 -1.12 113.70 118.18 3k1k s SER 30 Ca 0.00 -0.45 0.01 0.00 1.31 0.00 0.00 55.95 56.83 3k1k s SER 30 Cb -0.02 -0.40 -0.03 0.00 0.21 0.00 0.00 66.02 65.78 3k1k s SER 30 CO -0.00 0.32 -0.06 -0.83 0.41 0.00 0.00 173.24 173.08 3k1k s GLY 31 N -0.70 0.51 0.01 3.44 0.00 0.20 -0.29 107.32 110.49 3k1k s GLY 31 Ca 0.10 -0.94 -0.16 0.00 0.00 0.00 0.00 44.72 43.72 3k1k s GLY 31 CO -0.00 -1.02 0.35 -1.83 0.00 0.00 0.00 173.10 170.59 3k1k s GLU 32 N -2.45 0.76 0.00 2.90 -1.05 -0.47 -0.23 118.70 118.17 3k1k s GLU 32 Ca -0.03 -0.27 0.00 0.00 -0.15 0.00 0.00 54.97 54.52 3k1k s GLU 32 Cb -0.04 0.34 0.00 0.00 -0.44 0.00 0.00 34.13 33.99 3k1k s GLU 32 CO -0.03 -0.23 0.00 0.41 0.95 0.00 0.00 175.26 176.36 3k1k n GLY 33 N 0.97 -0.72 3.27 -3.83 0.00 -0.63 -1.75 105.19 102.50 3k1k n GLY 33 Ca -0.20 -0.41 -0.13 0.00 0.00 0.00 0.00 46.02 45.28 3k1k n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3k1k s GLU 34 N -0.66 0.78 -0.03 1.61 -1.05 -0.68 0.41 118.70 119.08 3k1k s GLU 34 Ca 0.00 -0.29 0.05 0.00 -0.15 0.00 0.00 54.97 54.58 3k1k s GLU 34 Cb 0.00 0.34 -0.01 0.00 -0.44 0.00 0.00 34.13 34.03 3k1k s GLU 34 CO 0.00 -0.24 -0.18 0.20 0.95 0.00 0.00 175.26 175.99 3k1k s GLY 35 N -1.66 0.92 -0.65 -3.83 0.00 -0.07 -1.95 107.32 100.09 3k1k s GLY 35 Ca -0.09 -0.74 0.05 0.00 0.00 0.00 0.00 44.72 43.93 3k1k s GLY 35 CO 0.01 -0.49 0.42 -0.35 0.00 0.00 0.00 173.10 172.69 3k1k s ASP 36 N -0.17 4.67 0.41 1.64 -1.08 0.02 -1.44 116.67 120.72 3k1k s ASP 36 Ca 0.01 -3.58 0.26 0.00 -0.52 0.00 0.00 52.55 48.72 3k1k s ASP 36 Cb -0.10 -1.64 1.44 0.00 -1.46 0.00 0.00 42.92 41.16 3k1k s ASP 36 CO 0.01 -0.13 1.80 0.00 0.52 0.00 0.00 175.17 177.37 3k1k h ALA 37 N 5.76 1.02 -0.54 3.66 0.00 -1.72 0.13 119.26 127.59 3k1k h ALA 37 Ca 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3k1k h ALA 37 Cb 0.80 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3k1k h ALA 37 CO 0.71 -0.02 0.03 1.15 0.00 0.00 0.00 179.25 181.11 3k1k h THR 38 N 0.00 1.25 -0.02 0.00 2.02 -1.84 -3.04 112.91 111.28 3k1k h THR 38 Ca 0.00 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 66.15 3k1k h THR 38 Cb 0.06 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 3k1k h THR 38 CO 0.00 0.37 -0.08 -1.22 0.37 0.00 0.00 175.52 174.96 3k1k n TYR 39 N -4.21 0.00 -2.50 3.16 4.02 0.35 -4.88 117.16 113.10 3k1k n TYR 39 Ca 0.03 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.73 3k1k n TYR 39 Cb 0.30 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.63 3k1k n TYR 39 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3k1k n GLY 40 N 1.05 -0.40 3.60 2.72 0.00 -0.53 -4.72 105.19 106.91 3k1k n GLY 40 Ca 0.10 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 3k1k n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3k1k s LYS 41 N -5.09 3.40 -0.03 1.61 2.20 -1.05 -0.17 119.74 120.60 3k1k s LYS 41 Ca 0.07 -0.45 0.04 0.00 -0.36 0.00 0.00 55.97 55.27 3k1k s LYS 41 Cb -0.03 -2.89 -0.00 0.00 -1.51 0.00 0.00 37.83 33.39 3k1k s LYS 41 CO 0.09 0.45 -0.14 -0.51 -0.36 0.00 0.00 175.35 174.88 3k1k s LEU 42 N -0.20 1.91 -0.06 5.43 1.43 0.40 -0.80 118.68 126.80 3k1k s LEU 42 Ca 0.05 -0.28 0.01 0.00 -1.03 0.00 0.00 54.13 52.88 3k1k s LEU 42 Cb -0.13 -0.79 0.02 0.00 0.03 0.00 0.00 46.19 45.32 3k1k s LEU 42 CO 0.02 0.14 -0.08 0.28 0.23 0.00 0.00 176.35 176.94 3k1k s THR 43 N -0.04 0.87 -0.07 5.49 -1.32 -0.82 -1.46 115.64 118.28 3k1k s THR 43 Ca -0.01 -0.30 -0.12 0.00 -1.21 0.00 0.00 61.69 60.06 3k1k s THR 43 Cb -0.09 -0.84 0.02 0.00 -1.51 0.00 0.00 72.50 70.09 3k1k s THR 43 CO 0.01 0.30 0.29 -0.76 -2.21 0.00 0.00 174.62 172.26 3k1k s LEU 44 N 0.95 0.90 -0.03 9.08 1.43 -0.54 -1.69 118.68 128.78 3k1k s LEU 44 Ca -0.10 0.34 0.04 0.00 -1.03 0.00 0.00 54.13 53.38 3k1k s LEU 44 Cb -0.15 1.11 -0.00 0.00 0.03 0.00 0.00 46.19 47.18 3k1k s LEU 44 CO 0.00 -0.26 -0.13 -0.75 0.23 0.00 0.00 176.35 175.44 3k1k s LYS 45 N -0.56 1.33 0.01 1.70 2.20 -0.71 -0.04 119.74 123.67 3k1k s LYS 45 Ca -0.07 -0.47 0.07 0.00 -0.36 0.00 0.00 55.97 55.15 3k1k s LYS 45 Cb -0.04 -1.21 -0.02 0.00 -1.51 0.00 0.00 37.83 35.05 3k1k s LYS 45 CO 0.02 0.20 -0.22 -0.06 -0.36 0.00 0.00 175.35 174.93 3k1k s PHE 46 N 0.04 1.97 -0.09 4.03 0.40 -1.26 -1.37 117.98 121.70 3k1k s PHE 46 Ca -0.02 -0.38 0.03 0.00 -0.60 0.00 0.00 56.93 55.96 3k1k s PHE 46 Cb -0.09 -1.23 0.01 0.00 0.51 0.00 0.00 43.02 42.22 3k1k s PHE 46 CO 0.01 0.02 -0.16 0.42 0.70 0.00 0.00 175.22 176.21 3k1k s ILE 47 N -0.64 1.50 -0.37 0.64 -1.09 0.60 -4.25 121.20 117.58 3k1k s ILE 47 Ca 0.09 -0.67 -0.29 0.00 -2.23 0.00 0.00 60.65 57.54 3k1k s ILE 47 Cb -0.09 -1.34 0.01 0.00 -1.58 0.00 0.00 42.46 39.46 3k1k s ILE 47 CO 0.00 0.44 1.30 0.00 -1.23 0.00 0.00 174.94 175.45 3k1k h THR 49 N 6.17 0.00 -0.59 0.00 2.02 -1.54 -3.12 112.91 115.86 3k1k h THR 49 Ca -0.26 -0.99 0.00 0.00 0.77 0.00 0.00 66.41 65.93 3k1k h THR 49 Cb 1.09 1.92 0.00 0.00 -1.74 0.00 0.00 68.15 69.42 3k1k h THR 49 CO 1.07 0.00 0.00 0.35 0.37 0.00 0.00 175.52 177.31 3k1k n THR 50 N -3.03 0.79 0.00 3.16 -2.24 -1.25 -4.98 114.28 106.74 3k1k n THR 50 Ca 0.04 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 3k1k n THR 50 Cb 0.53 0.39 0.00 0.00 -2.10 0.00 0.00 70.33 69.15 3k1k n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k1k n GLY 51 N 1.43 1.05 3.52 3.38 0.00 -1.18 -4.93 105.19 108.45 3k1k n GLY 51 Ca 0.20 -0.76 -0.38 0.00 0.00 0.00 0.00 46.02 45.07 3k1k n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3k1k s LYS 52 N 0.00 3.66 0.03 1.61 2.47 -1.26 -4.29 119.74 121.96 3k1k s LYS 52 Ca 0.00 -0.51 -0.30 0.00 -1.56 0.00 0.00 55.97 53.60 3k1k s LYS 52 Cb 0.00 -3.62 -0.07 0.00 -1.46 0.00 0.00 37.83 32.68 3k1k s LYS 52 CO 0.00 -0.29 1.63 -1.17 0.16 0.00 0.00 175.35 175.68 3k1k s LEU 53 N 1.69 4.35 0.06 5.43 2.96 -1.26 -4.91 118.68 127.01 3k1k s LEU 53 Ca 0.06 2.39 0.28 0.00 -0.22 0.00 0.00 54.13 56.64 3k1k s LEU 53 Cb -0.16 -3.55 1.12 0.00 0.50 0.00 0.00 46.19 44.09 3k1k s LEU 53 CO 0.09 -0.88 1.89 -0.81 -1.32 0.00 0.00 176.35 175.31 3k1k n PRO 54 N 6.00 0.07 -4.48 0.98 -0.04 -1.26 -4.82 135.00 131.44 3k1k n PRO 54 Ca 0.16 0.06 -0.24 0.00 -0.04 0.00 0.00 63.50 63.44 3k1k n PRO 54 Cb 0.41 -1.58 -0.10 0.00 -0.04 0.00 0.00 33.50 32.19 3k1k n PRO 54 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3k1k s VAL 55 N -3.03 2.07 0.38 0.52 -7.23 -1.26 -4.71 120.40 107.14 3k1k s VAL 55 Ca 0.13 -2.22 -0.26 0.00 -1.81 0.00 0.00 61.98 57.82 3k1k s VAL 55 Cb 0.17 -2.49 -0.09 0.00 0.56 0.00 0.00 36.38 34.53 3k1k s VAL 55 CO 0.55 -0.29 1.18 -2.84 -0.31 0.00 0.00 175.10 173.39 3k1k s PRO 56 N -3.63 4.15 0.26 4.82 0.02 -1.26 -4.91 135.00 134.46 3k1k s PRO 56 Ca 0.31 1.88 -0.01 0.00 0.02 0.00 0.00 61.00 63.20 3k1k s PRO 56 Cb 0.01 -2.78 0.52 0.00 0.02 0.00 0.00 34.50 32.28 3k1k s PRO 56 CO 0.14 -0.25 1.77 -1.49 -0.33 0.00 0.00 177.00 176.85 3k1k h TRP 57 N 2.85 0.80 -0.08 6.54 4.06 -1.97 -2.42 115.95 125.74 3k1k h TRP 57 Ca -0.49 0.03 0.02 0.00 2.06 0.00 0.00 58.89 60.52 3k1k h TRP 57 Cb 1.23 -0.23 -0.00 0.00 -1.00 0.00 0.00 29.16 29.16 3k1k h TRP 57 CO 0.56 0.22 0.06 -1.35 -3.56 0.00 0.00 178.44 174.36 3k1k h PRO 58 N 0.66 0.00 0.00 0.49 0.11 -1.89 -1.05 132.00 130.32 3k1k h PRO 58 Ca 0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.57 3k1k h PRO 58 Cb 0.61 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.72 3k1k h PRO 58 CO -0.34 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 177.70 3k1k n THR 59 N -4.43 1.24 0.73 -1.15 -2.24 -0.91 -2.66 114.28 104.86 3k1k n THR 59 Ca -0.01 0.32 0.08 0.00 -2.27 0.00 0.00 64.05 62.17 3k1k n THR 59 Cb 0.17 -1.15 -0.06 0.00 -2.10 0.00 0.00 70.33 67.18 3k1k n THR 59 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3k1k n LEU 60 N -1.56 1.00 -0.18 3.22 4.77 -0.40 -4.71 117.00 119.14 3k1k n LEU 60 Ca 0.02 -0.58 -0.02 0.00 -0.03 0.00 0.00 56.01 55.40 3k1k n LEU 60 Cb 0.13 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.29 3k1k n LEU 60 CO 0.10 0.22 1.00 0.58 -1.33 0.00 0.00 177.39 177.97 3k1k h VAL 61 N 0.52 0.87 -0.13 4.08 2.07 -1.55 0.86 116.25 122.97 3k1k h VAL 61 Ca 0.00 -0.15 -0.10 0.00 0.82 0.00 0.00 66.70 67.26 3k1k h VAL 61 Cb 0.42 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 3k1k h VAL 61 CO 0.00 0.08 -0.38 0.71 0.02 0.00 0.00 177.57 178.01 3k1k h THR 62 N 0.45 1.30 -0.22 2.57 1.35 -1.84 -2.85 112.91 113.67 3k1k h THR 62 Ca 0.26 -1.45 -0.09 0.00 -0.55 0.00 0.00 66.41 64.58 3k1k h THR 62 Cb 0.24 1.61 -0.00 0.00 -1.73 0.00 0.00 68.15 68.27 3k1k h THR 62 CO -0.22 0.44 -0.22 0.74 -0.25 0.00 0.00 175.52 176.00 3k1k h THR 63 N 0.24 1.32 0.00 6.82 2.02 -1.53 -3.45 112.91 118.33 3k1k h THR 63 Ca 0.03 -1.39 -0.28 0.00 0.77 0.00 0.00 66.41 65.54 3k1k h THR 63 Cb 0.77 1.73 0.04 0.00 -1.74 0.00 0.00 68.15 68.95 3k1k h THR 63 CO 0.06 0.43 1.65 0.49 0.37 0.00 0.00 175.52 178.52 3k1k n PHE 64 N -4.40 0.58 0.00 3.16 3.72 0.18 -5.04 117.46 115.66 3k1k n PHE 64 Ca -0.05 -1.05 0.00 0.00 -0.05 0.00 0.00 57.45 56.30 3k1k n PHE 64 Cb 0.42 -1.04 0.00 0.00 -0.94 0.00 0.00 39.48 37.92 3k1k n PHE 64 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 3k1k n VAL 68 N 5.24 0.00 1.10 -4.37 0.24 -1.26 -5.03 118.33 114.26 3k1k n VAL 68 Ca 0.26 0.00 0.12 0.00 -2.04 0.00 0.00 64.34 62.68 3k1k n VAL 68 Cb 0.15 0.00 0.61 0.00 -1.47 0.00 0.00 33.84 33.13 3k1k n VAL 68 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3k1k n GLN 69 N 0.00 0.25 0.00 7.34 6.02 -1.26 -2.08 117.38 127.65 3k1k n GLN 69 Ca 0.00 0.05 0.02 0.00 -0.01 0.00 0.00 57.00 57.06 3k1k n GLN 69 Cb 0.00 -1.50 0.10 0.00 1.02 0.00 0.00 30.24 29.86 3k1k n GLN 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3k1k n PHE 71 N -1.23 0.91 -2.35 0.00 3.72 -0.88 -4.77 117.46 112.86 3k1k n PHE 71 Ca 0.02 -0.49 -0.39 0.00 -0.05 0.00 0.00 57.45 56.53 3k1k n PHE 71 Cb 0.03 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.53 3k1k n PHE 71 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 3k1k s SER 72 N -1.01 6.85 -0.79 4.37 0.01 -0.83 -4.10 113.70 118.20 3k1k s SER 72 Ca 0.46 2.35 -0.26 0.00 1.31 0.00 0.00 55.95 59.81 3k1k s SER 72 Cb 0.24 -2.62 0.04 0.00 0.21 0.00 0.00 66.02 63.89 3k1k s SER 72 CO 0.31 -0.45 1.27 -0.60 0.41 0.00 0.00 173.24 174.19 3k1k s ARG 73 N -1.93 3.27 -0.22 12.44 3.52 0.14 -4.77 118.95 131.39 3k1k s ARG 73 Ca 0.51 -0.51 -0.28 0.00 -0.13 0.00 0.00 55.73 55.32 3k1k s ARG 73 Cb -0.32 -4.43 0.00 0.00 -1.56 0.00 0.00 34.95 28.65 3k1k s ARG 73 CO 0.41 -2.12 0.99 0.71 -0.81 0.00 0.00 175.30 174.49 3k1k s TYR 74 N 5.34 3.36 0.59 5.12 1.51 -1.26 -2.05 117.35 129.95 3k1k s TYR 74 Ca 0.36 1.42 -0.18 0.00 -1.01 0.00 0.00 57.07 57.65 3k1k s TYR 74 Cb -0.07 -3.22 -0.05 0.00 -0.11 0.00 0.00 41.96 38.51 3k1k s TYR 74 CO 0.09 -0.43 0.91 -2.30 -1.11 0.00 0.00 175.55 172.71 3k1k n PRO 75 N 6.09 0.86 -0.34 -1.71 -0.02 -1.26 -4.64 135.00 133.97 3k1k n PRO 75 Ca 0.10 0.33 0.20 0.00 -2.02 0.00 0.00 63.50 62.11 3k1k n PRO 75 Cb 0.47 -2.10 0.42 0.00 -0.02 0.00 0.00 33.50 32.26 3k1k n PRO 75 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 3k1k h ASP 76 N 0.48 0.61 0.00 2.55 2.03 -2.01 -2.86 116.42 117.22 3k1k h ASP 76 Ca -0.48 0.13 0.00 0.00 -0.73 0.00 0.00 57.03 55.95 3k1k h ASP 76 Cb 1.37 0.04 0.00 0.00 -0.83 0.00 0.00 39.33 39.91 3k1k h ASP 76 CO 0.50 0.07 0.00 0.00 -1.03 0.00 0.00 179.24 178.78 3k1k n HIS 77 N -4.85 0.00 0.00 4.15 1.44 -1.26 -4.73 115.22 109.97 3k1k n HIS 77 Ca 0.27 -0.57 0.00 0.00 -2.01 0.00 0.00 57.72 55.42 3k1k n HIS 77 Cb 0.81 -0.35 0.00 0.00 0.12 0.00 0.00 29.99 30.57 3k1k n HIS 77 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3k1k n LYS 79 N 1.34 0.00 0.10 -1.40 5.02 -1.08 -4.98 118.16 117.16 3k1k n LYS 79 Ca 0.00 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.39 3k1k n LYS 79 Cb 0.34 -1.51 0.44 0.00 -0.02 0.00 0.00 35.03 34.28 3k1k n LYS 79 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 3k1k n ARG 80 N -1.92 0.14 -0.29 1.97 0.63 -1.26 -2.94 116.66 112.98 3k1k n ARG 80 Ca 0.00 0.40 0.07 0.00 -0.92 0.00 0.00 57.85 57.40 3k1k n ARG 80 Cb 0.00 -1.78 0.20 0.00 0.45 0.00 0.00 32.46 31.33 3k1k n ARG 80 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 3k1k n HIS 81 N -2.04 0.66 -2.84 -0.14 8.25 -1.26 -4.73 115.22 113.11 3k1k n HIS 81 Ca 0.02 -0.68 -0.43 0.00 -0.26 0.00 0.00 57.72 56.37 3k1k n HIS 81 Cb 0.19 -0.16 -0.02 0.00 1.12 0.00 0.00 29.99 31.12 3k1k n HIS 81 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3k1k s ASP 82 N -1.46 6.73 0.27 0.41 -1.08 -1.15 -4.56 116.67 115.83 3k1k s ASP 82 Ca 0.31 -2.20 -0.03 0.00 -0.52 0.00 0.00 52.55 50.11 3k1k s ASP 82 Cb 0.22 -2.44 0.36 0.00 -1.46 0.00 0.00 42.92 39.60 3k1k s ASP 82 CO 0.12 -1.07 1.86 0.15 0.52 0.00 0.00 175.17 176.74 3k1k h PHE 83 N 8.50 0.99 -0.53 -5.34 3.57 -1.90 -3.16 116.94 119.06 3k1k h PHE 83 Ca 0.23 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 3k1k h PHE 83 Cb 0.97 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.39 3k1k h PHE 83 CO 1.19 0.75 0.26 0.74 -2.23 0.00 0.00 178.31 179.01 3k1k h PHE 84 N 0.97 0.77 -0.02 0.41 0.04 -1.91 -2.90 116.94 114.30 3k1k h PHE 84 Ca 0.23 -0.04 -0.22 0.00 2.80 0.00 0.00 57.97 60.74 3k1k h PHE 84 Cb 0.16 -0.24 0.00 0.00 2.20 0.00 0.00 35.95 38.07 3k1k h PHE 84 CO 0.01 0.60 -0.91 0.87 -0.60 0.00 0.00 178.31 178.29 3k1k h LYS 85 N 0.72 0.42 0.00 1.51 1.57 -1.86 -3.26 116.57 115.67 3k1k h LYS 85 Ca 0.18 -0.43 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 3k1k h LYS 85 Cb 0.12 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3k1k h LYS 85 CO -0.02 1.09 0.00 -1.13 -0.57 0.00 0.00 179.45 178.82 3k1k n SER 86 N -3.76 0.00 -3.08 0.86 3.41 -1.10 -4.32 113.62 105.62 3k1k n SER 86 Ca -0.06 -0.33 -0.38 0.00 -0.26 0.00 0.00 58.87 57.83 3k1k n SER 86 Cb 0.81 -0.11 0.03 0.00 -0.26 0.00 0.00 64.21 64.68 3k1k n SER 86 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k1k n ALA 87 N -1.11 6.18 0.00 7.33 0.00 -1.17 -4.64 120.51 127.11 3k1k n ALA 87 Ca 0.11 -4.31 0.00 0.00 0.00 0.00 0.00 53.44 49.25 3k1k n ALA 87 Cb 0.09 -1.86 0.00 0.00 0.00 0.00 0.00 19.45 17.68 3k1k n ALA 87 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3k1k n PRO 89 N -0.39 0.00 -0.23 0.00 -0.04 -1.26 0.13 135.00 133.21 3k1k n PRO 89 Ca 0.50 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.94 3k1k n PRO 89 Cb 0.29 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.34 3k1k n PRO 89 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3k1k h GLU 90 N 0.00 0.70 0.00 0.54 3.07 -1.95 -2.80 114.58 114.14 3k1k h GLU 90 Ca 0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 3k1k h GLU 90 Cb 0.00 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 27.75 3k1k h GLU 90 CO 0.00 0.46 0.00 0.41 -1.40 0.00 0.00 179.01 178.48 3k1k n GLY 91 N -1.28 -2.21 3.48 -3.84 0.00 0.34 -4.60 105.19 97.07 3k1k n GLY 91 Ca 0.08 -2.01 -0.11 0.00 0.00 0.00 0.00 46.02 43.98 3k1k n GLY 91 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3k1k s TYR 92 N -0.20 0.71 -0.23 1.61 -0.85 0.45 -1.04 117.35 117.81 3k1k s TYR 92 Ca 0.00 -1.01 -0.03 0.00 -0.52 0.00 0.00 57.07 55.51 3k1k s TYR 92 Cb 0.00 -0.04 0.01 0.00 0.38 0.00 0.00 41.96 42.31 3k1k s TYR 92 CO 0.00 -0.96 -0.05 0.08 -1.52 0.00 0.00 175.55 173.10 3k1k s VAL 93 N -3.79 3.16 -0.38 -3.49 1.01 0.99 -1.57 120.40 116.34 3k1k s VAL 93 Ca 0.28 -0.71 -0.13 0.00 0.00 0.00 0.00 61.98 61.42 3k1k s VAL 93 Cb 0.01 -2.50 0.01 0.00 0.00 0.00 0.00 36.38 33.90 3k1k s VAL 93 CO 0.13 0.33 0.25 -1.58 0.00 0.00 0.00 175.10 174.23 3k1k s GLN 94 N 1.42 3.07 0.00 2.72 0.74 -0.98 -1.99 119.66 124.64 3k1k s GLN 94 Ca 0.04 -0.93 0.02 0.00 0.05 0.00 0.00 55.36 54.54 3k1k s GLN 94 Cb -0.15 -3.83 -0.03 0.00 1.10 0.00 0.00 33.01 30.09 3k1k s GLN 94 CO -0.04 -0.64 -0.04 -1.21 -0.55 0.00 0.00 175.29 172.81 3k1k s GLU 95 N 1.64 2.65 -0.02 1.67 2.02 -0.48 -1.10 118.70 125.09 3k1k s GLU 95 Ca 0.04 -0.67 -0.08 0.00 0.02 0.00 0.00 54.97 54.28 3k1k s GLU 95 Cb -0.19 -2.57 0.01 0.00 0.10 0.00 0.00 34.13 31.48 3k1k s GLU 95 CO 0.09 0.61 0.16 1.03 0.02 0.00 0.00 175.26 177.17 3k1k s ARG 96 N -1.48 0.43 -0.17 1.61 0.52 -0.80 -1.34 118.95 117.72 3k1k s ARG 96 Ca 0.18 -0.21 -0.02 0.00 -0.52 0.00 0.00 55.73 55.16 3k1k s ARG 96 Cb -0.11 0.18 -0.01 0.00 0.52 0.00 0.00 34.95 35.53 3k1k s ARG 96 CO 0.09 -0.10 -0.09 0.99 0.02 0.00 0.00 175.30 176.21 3k1k s THR 97 N -0.98 3.26 -0.25 0.02 2.01 -0.55 -1.14 115.64 118.01 3k1k s THR 97 Ca -0.11 -0.56 0.00 0.00 0.31 0.00 0.00 61.69 61.33 3k1k s THR 97 Cb -0.06 -2.42 0.04 0.00 0.01 0.00 0.00 72.50 70.07 3k1k s THR 97 CO 0.01 0.48 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.71 3k1k s ILE 98 N 0.80 2.54 -0.29 1.82 1.01 0.64 -1.08 121.20 126.64 3k1k s ILE 98 Ca -0.03 -1.29 -0.09 0.00 0.00 0.00 0.00 60.65 59.24 3k1k s ILE 98 Cb -0.15 -2.37 -0.02 0.00 0.01 0.00 0.00 42.46 39.94 3k1k s ILE 98 CO 0.01 0.11 0.13 -0.55 0.00 0.00 0.00 174.94 174.64 3k1k s SER 99 N 1.23 5.45 -0.15 3.58 0.15 -0.23 -0.76 113.70 122.97 3k1k s SER 99 Ca -0.03 -0.40 -0.27 0.00 0.70 0.00 0.00 55.95 55.95 3k1k s SER 99 Cb -0.18 -1.98 -0.01 0.00 -1.71 0.00 0.00 66.02 62.13 3k1k s SER 99 CO -0.05 -0.14 0.88 -0.36 1.20 0.00 0.00 173.24 174.78 3k1k s PHE 100 N 1.62 3.45 -0.13 3.44 0.40 -0.75 -0.99 117.98 125.02 3k1k s PHE 100 Ca 0.05 1.36 -0.29 0.00 -0.60 0.00 0.00 56.93 57.46 3k1k s PHE 100 Cb -0.16 -3.06 -0.06 0.00 0.51 0.00 0.00 43.02 40.24 3k1k s PHE 100 CO 0.06 -0.23 2.13 0.21 0.70 0.00 0.00 175.22 178.09 3k1k s LYS 101 N 2.08 3.49 -0.03 0.44 2.20 -0.41 -0.97 119.74 126.54 3k1k s LYS 101 Ca 0.41 2.23 0.00 0.00 -0.36 0.00 0.00 55.97 58.26 3k1k s LYS 101 Cb -0.17 -4.30 0.00 0.00 -1.51 0.00 0.00 37.83 31.85 3k1k s LYS 101 CO 0.14 -1.70 0.00 -3.47 -0.36 0.00 0.00 175.35 169.96 3k1k n ASP 102 N 10.22 -2.40 -0.65 1.43 2.03 -1.26 -4.85 116.55 121.06 3k1k n ASP 102 Ca 0.26 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.58 3k1k n ASP 102 Cb 0.44 -0.56 0.00 0.00 -0.72 0.00 0.00 41.12 40.28 3k1k n ASP 102 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 3k1k n ASP 103 N 1.95 0.00 -2.27 1.67 -0.08 -0.14 -4.94 116.55 112.74 3k1k n ASP 103 Ca -0.00 -0.65 -0.02 0.00 -1.51 0.00 0.00 54.79 52.61 3k1k n ASP 103 Cb 0.17 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.64 3k1k n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3k1k n GLY 104 N 0.00 -1.63 3.10 0.27 0.00 -1.18 -4.46 105.19 101.29 3k1k n GLY 104 Ca 0.00 -1.59 -0.18 0.00 0.00 0.00 0.00 46.02 44.25 3k1k n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k1k s ASN 105 N -1.40 1.33 -0.03 1.61 2.20 -0.94 -1.82 114.94 115.88 3k1k s ASN 105 Ca 0.04 -0.42 -0.12 0.00 -0.94 0.00 0.00 52.86 51.42 3k1k s ASN 105 Cb -0.00 -0.07 -0.05 0.00 -2.00 0.00 0.00 41.25 39.13 3k1k s ASN 105 CO 0.03 -0.01 0.32 -0.31 -2.94 0.00 0.00 177.10 174.19 3k1k s TYR 106 N -0.84 3.69 -0.07 1.54 2.02 0.06 -2.16 117.35 121.58 3k1k s TYR 106 Ca -0.01 0.84 0.04 0.00 -0.37 0.00 0.00 57.07 57.57 3k1k s TYR 106 Cb -0.07 -2.17 -0.02 0.00 -0.40 0.00 0.00 41.96 39.30 3k1k s TYR 106 CO 0.01 0.67 -0.19 0.15 -1.57 0.00 0.00 175.55 174.62 3k1k s LYS 107 N -1.09 2.72 0.07 -0.62 1.02 0.55 -0.26 119.74 122.12 3k1k s LYS 107 Ca 0.21 -0.79 0.03 0.00 0.02 0.00 0.00 55.97 55.45 3k1k s LYS 107 Cb -0.15 -2.33 -0.03 0.00 -0.52 0.00 0.00 37.83 34.80 3k1k s LYS 107 CO 0.11 0.42 -0.10 0.95 -0.92 0.00 0.00 175.35 175.81 3k1k s THR 108 N -0.23 0.78 -0.03 2.17 -4.23 -0.29 -1.19 115.64 112.62 3k1k s THR 108 Ca -0.00 -1.32 -0.00 0.00 -1.18 0.00 0.00 61.69 59.19 3k1k s THR 108 Cb -0.13 -0.96 0.03 0.00 1.34 0.00 0.00 72.50 72.77 3k1k s THR 108 CO 0.03 -0.42 0.02 -0.60 -0.54 0.00 0.00 174.62 173.11 3k1k s ARG 109 N -2.04 0.15 0.13 3.99 3.52 -0.53 -1.90 118.95 122.27 3k1k s ARG 109 Ca -0.03 0.17 0.06 0.00 -0.13 0.00 0.00 55.73 55.79 3k1k s ARG 109 Cb -0.07 -0.45 -0.04 0.00 -1.56 0.00 0.00 34.95 32.82 3k1k s ARG 109 CO 0.00 -0.19 -0.13 0.00 -0.81 0.00 0.00 175.30 174.17 3k1k s ALA 110 N 1.32 1.54 -0.25 6.12 0.00 -0.26 -1.07 121.76 129.16 3k1k s ALA 110 Ca -0.06 -1.37 0.02 0.00 0.00 0.00 0.00 51.96 50.56 3k1k s ALA 110 Cb -0.13 -0.05 0.05 0.00 0.00 0.00 0.00 23.12 22.99 3k1k s ALA 110 CO -0.03 0.06 -0.11 -1.21 0.00 0.00 0.00 175.76 174.48 3k1k s GLU 111 N -2.97 2.40 -0.20 0.00 2.02 -0.14 -2.32 118.70 117.49 3k1k s GLU 111 Ca 0.12 -1.25 -0.08 0.00 0.02 0.00 0.00 54.97 53.78 3k1k s GLU 111 Cb -0.03 -2.89 -0.04 0.00 0.10 0.00 0.00 34.13 31.27 3k1k s GLU 111 CO 0.03 -0.52 0.07 0.08 0.02 0.00 0.00 175.26 174.95 3k1k s VAL 112 N 1.16 4.77 0.06 2.63 1.01 -0.61 -1.88 120.40 127.54 3k1k s VAL 112 Ca -0.06 -0.03 -0.26 0.00 0.00 0.00 0.00 61.98 61.62 3k1k s VAL 112 Cb -0.19 -3.17 0.09 0.00 0.00 0.00 0.00 36.38 33.11 3k1k s VAL 112 CO -0.06 0.43 1.19 -1.59 0.00 0.00 0.00 175.10 175.07 3k1k s LYS 113 N 0.66 0.74 -0.07 2.72 -2.85 -0.92 -0.41 119.74 119.62 3k1k s LYS 113 Ca 0.04 -0.47 -0.12 0.00 -1.00 0.00 0.00 55.97 54.41 3k1k s LYS 113 Cb -0.13 0.21 -0.05 0.00 -2.06 0.00 0.00 37.83 35.80 3k1k s LYS 113 CO 0.02 -0.35 0.30 -0.06 0.10 0.00 0.00 175.35 175.36 3k1k s PHE 114 N -2.11 3.64 -0.37 1.78 0.40 -1.06 -1.03 117.98 119.24 3k1k s PHE 114 Ca 0.26 0.78 0.00 0.00 -0.60 0.00 0.00 56.93 57.36 3k1k s PHE 114 Cb -0.01 -2.19 0.12 0.00 0.51 0.00 0.00 43.02 41.46 3k1k s PHE 114 CO 0.01 0.60 0.18 -1.21 0.70 0.00 0.00 175.22 175.51 3k1k s GLU 115 N -0.79 0.82 4.91 0.44 2.02 -0.87 -4.96 118.70 120.28 3k1k s GLU 115 Ca 0.20 -1.42 0.00 0.00 0.02 0.00 0.00 54.97 53.76 3k1k s GLU 115 Cb -0.15 -1.83 0.00 0.00 0.10 0.00 0.00 34.13 32.25 3k1k s GLU 115 CO 0.09 -1.12 0.00 0.41 0.02 0.00 0.00 175.26 174.66 3k1k n GLY 116 N 4.19 0.67 0.87 -1.39 0.00 -1.26 -3.40 105.19 104.88 3k1k n GLY 116 Ca 0.05 -0.79 0.11 0.00 0.00 0.00 0.00 46.02 45.40 3k1k n GLY 116 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3k1k n ASP 117 N 4.67 2.63 -4.54 1.61 5.75 -1.26 -4.91 116.55 120.49 3k1k n ASP 117 Ca 0.00 -1.86 -0.34 0.00 -0.01 0.00 0.00 54.79 52.58 3k1k n ASP 117 Cb 0.00 -0.16 -0.12 0.00 -1.03 0.00 0.00 41.12 39.82 3k1k n ASP 117 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3k1k s THR 118 N -1.69 3.82 0.08 2.12 -4.23 -1.22 -4.34 115.64 110.19 3k1k s THR 118 Ca 0.35 -0.41 -0.30 0.00 -1.18 0.00 0.00 61.69 60.15 3k1k s THR 118 Cb 0.20 -2.62 -0.05 0.00 1.34 0.00 0.00 72.50 71.37 3k1k s THR 118 CO 0.29 0.55 1.10 -0.22 -0.54 0.00 0.00 174.62 175.80 3k1k s LEU 119 N -0.20 4.41 -0.04 4.79 1.98 -0.02 -2.04 118.68 127.55 3k1k s LEU 119 Ca 0.03 1.92 0.04 0.00 -2.89 0.00 0.00 54.13 53.24 3k1k s LEU 119 Cb -0.13 -3.58 -0.00 0.00 0.66 0.00 0.00 46.19 43.14 3k1k s LEU 119 CO 0.02 -0.32 -0.16 -0.69 -1.89 0.00 0.00 176.35 173.31 3k1k s VAL 120 N 0.63 1.36 -0.25 1.68 1.01 -0.20 -1.13 120.40 123.50 3k1k s VAL 120 Ca 0.54 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.86 3k1k s VAL 120 Cb -0.27 -1.17 0.06 0.00 0.00 0.00 0.00 36.38 35.01 3k1k s VAL 120 CO 0.30 0.39 -0.06 0.21 0.00 0.00 0.00 175.10 175.94 3k1k s ASN 121 N 0.04 4.14 -0.19 3.32 2.47 -0.70 -2.16 114.94 121.86 3k1k s ASN 121 Ca -0.03 -1.34 -0.04 0.00 0.42 0.00 0.00 52.86 51.87 3k1k s ASN 121 Cb -0.11 -1.33 -0.02 0.00 -1.45 0.00 0.00 41.25 38.33 3k1k s ASN 121 CO 0.02 -0.23 -0.02 -0.13 -3.72 0.00 0.00 177.10 173.01 3k1k s ARG 122 N 1.26 3.59 0.00 0.43 0.52 -0.79 -1.26 118.95 122.70 3k1k s ARG 122 Ca -0.05 -0.54 0.05 0.00 -0.52 0.00 0.00 55.73 54.66 3k1k s ARG 122 Cb -0.19 -3.01 -0.01 0.00 0.52 0.00 0.00 34.95 32.26 3k1k s ARG 122 CO -0.06 0.06 -0.14 0.42 0.02 0.00 0.00 175.30 175.59 3k1k s ILE 123 N 0.86 1.12 -0.09 1.52 1.01 0.44 -0.97 121.20 125.09 3k1k s ILE 123 Ca 0.00 -0.70 0.04 0.00 0.00 0.00 0.00 60.65 59.99 3k1k s ILE 123 Cb -0.14 -0.95 -0.01 0.00 0.01 0.00 0.00 42.46 41.37 3k1k s ILE 123 CO 0.02 0.24 -0.22 -1.61 0.00 0.00 0.00 174.94 173.37 3k1k s GLU 124 N -0.53 2.89 -0.07 2.79 2.02 -0.23 -1.61 118.70 123.96 3k1k s GLU 124 Ca 0.05 -0.84 0.03 0.00 0.02 0.00 0.00 54.97 54.22 3k1k s GLU 124 Cb -0.06 -2.31 0.01 0.00 0.10 0.00 0.00 34.13 31.86 3k1k s GLU 124 CO -0.00 0.29 -0.15 -1.17 0.02 0.00 0.00 175.26 174.25 3k1k s LEU 125 N 0.09 1.75 -0.10 1.80 0.20 -0.08 -1.45 118.68 120.89 3k1k s LEU 125 Ca -0.10 -0.35 0.03 0.00 0.69 0.00 0.00 54.13 54.39 3k1k s LEU 125 Cb -0.16 -0.95 0.01 0.00 -0.43 0.00 0.00 46.19 44.66 3k1k s LEU 125 CO 0.06 0.07 -0.17 -0.75 -0.29 0.00 0.00 176.35 175.26 3k1k s LYS 126 N 0.55 2.37 0.01 1.98 2.20 -0.33 -0.64 119.74 125.87 3k1k s LYS 126 Ca -0.15 -0.63 0.07 0.00 -0.36 0.00 0.00 55.97 54.90 3k1k s LYS 126 Cb -0.16 -1.92 -0.03 0.00 -1.51 0.00 0.00 37.83 34.22 3k1k s LYS 126 CO 0.05 0.03 -0.19 0.20 -0.36 0.00 0.00 175.35 175.07 3k1k s GLY 127 N 0.71 1.48 0.12 5.54 0.00 0.07 -0.33 107.32 114.91 3k1k s GLY 127 Ca -0.12 -1.13 -0.01 0.00 0.00 0.00 0.00 44.72 43.46 3k1k s GLY 127 CO 0.03 -0.98 0.03 -0.26 0.00 0.00 0.00 173.10 171.92 3k1k s ILE 128 N -0.80 0.19 -1.62 0.90 -4.36 -0.92 -1.22 121.20 113.37 3k1k s ILE 128 Ca 0.13 -1.90 0.00 0.00 -0.26 0.00 0.00 60.65 58.62 3k1k s ILE 128 Cb -0.10 -1.95 0.00 0.00 1.25 0.00 0.00 42.46 41.66 3k1k s ILE 128 CO 0.02 -0.57 0.00 0.47 0.24 0.00 0.00 174.94 175.10 3k1k n ASP 129 N -0.07 -4.86 -4.85 4.36 8.00 -1.26 -2.22 116.55 115.65 3k1k n ASP 129 Ca -0.07 0.33 -0.32 0.00 0.71 0.00 0.00 54.79 55.45 3k1k n ASP 129 Cb 0.63 -3.78 -0.00 0.00 -0.02 0.00 0.00 41.12 37.95 3k1k n ASP 129 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3k1k s PHE 130 N -2.61 3.43 -0.12 1.24 0.40 -1.26 -3.09 117.98 115.97 3k1k s PHE 130 Ca 0.00 1.39 -0.13 0.00 -0.60 0.00 0.00 56.93 57.60 3k1k s PHE 130 Cb 0.00 -2.80 -0.05 0.00 0.51 0.00 0.00 43.02 40.69 3k1k s PHE 130 CO 0.00 -0.69 0.28 0.15 0.70 0.00 0.00 175.22 175.66 3k1k s LYS 131 N -4.65 4.03 0.53 0.44 1.02 -1.26 -4.87 119.74 114.97 3k1k s LYS 131 Ca 0.58 0.11 0.20 0.00 0.02 0.00 0.00 55.97 56.87 3k1k s LYS 131 Cb -0.12 -3.34 1.39 0.00 -0.52 0.00 0.00 37.83 35.24 3k1k s LYS 131 CO 0.44 0.44 2.15 0.93 -0.92 0.00 0.00 175.35 178.40 3k1k h GLU 132 N 5.94 0.00 -0.72 1.68 4.39 -1.97 -1.86 114.58 122.05 3k1k h GLU 132 Ca -0.46 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.24 3k1k h GLU 132 Cb 1.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 3k1k h GLU 132 CO 0.69 0.03 0.00 -0.40 -1.16 0.00 0.00 179.01 178.17 3k1k n ASP 133 N -4.29 3.95 -3.06 1.42 5.75 -1.26 -3.34 116.55 115.72 3k1k n ASP 133 Ca -0.03 -2.05 -0.11 0.00 -0.01 0.00 0.00 54.79 52.59 3k1k n ASP 133 Cb 0.11 -0.49 0.07 0.00 -1.03 0.00 0.00 41.12 39.78 3k1k n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3k1k n GLY 134 N 1.59 0.09 0.22 6.12 0.00 -0.70 -4.80 105.19 107.72 3k1k n GLY 134 Ca 0.24 -1.90 0.09 0.00 0.00 0.00 0.00 46.02 44.45 3k1k n GLY 134 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3k1k h ASN 135 N -0.43 0.00 0.00 1.61 2.35 -1.92 -0.98 115.58 116.21 3k1k h ASN 135 Ca -0.16 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.57 3k1k h ASN 135 Cb 0.55 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.92 3k1k h ASN 135 CO 0.15 0.24 -0.40 0.40 -1.65 0.00 0.00 177.43 176.17 3k1k h ILE 136 N 0.00 0.10 0.00 2.81 5.03 -1.94 -1.19 117.51 122.31 3k1k h ILE 136 Ca -0.00 -1.10 -0.08 0.00 -0.12 0.00 0.00 64.86 63.56 3k1k h ILE 136 Cb 0.63 0.21 -0.01 0.00 -3.03 0.00 0.00 36.82 34.62 3k1k h ILE 136 CO 0.03 0.03 -0.37 -0.07 -0.68 0.00 0.00 178.15 177.09 3k1k h LEU 137 N -1.00 0.00 -1.00 1.44 3.38 -1.74 -2.45 115.31 113.94 3k1k h LEU 137 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3k1k h LEU 137 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3k1k h LEU 137 CO -0.01 0.37 0.00 0.61 0.09 0.00 0.00 178.44 179.50 3k1k n GLY 138 N 0.39 0.16 3.66 0.83 0.00 -0.37 -4.93 105.19 104.92 3k1k n GLY 138 Ca 0.00 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.34 3k1k n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3k1k n HIS 139 N 0.21 -1.94 -0.01 1.61 8.25 -0.92 -4.91 115.22 117.50 3k1k n HIS 139 Ca 0.16 0.50 0.07 0.00 -0.26 0.00 0.00 57.72 58.19 3k1k n HIS 139 Cb 0.30 -3.53 0.15 0.00 1.12 0.00 0.00 29.99 28.03 3k1k n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3k1k n LYS 140 N -4.12 2.32 -2.68 -0.41 5.02 -0.46 -4.98 118.16 112.85 3k1k n LYS 140 Ca -0.10 -1.92 -0.41 0.00 -2.02 0.00 0.00 58.31 53.86 3k1k n LYS 140 Cb 0.60 -1.30 -0.05 0.00 -0.02 0.00 0.00 35.03 34.26 3k1k n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3k1k s LEU 141 N -1.02 4.55 0.56 -0.35 1.43 -1.25 -1.46 118.68 121.14 3k1k s LEU 141 Ca 0.24 1.94 -0.19 0.00 -1.03 0.00 0.00 54.13 55.09 3k1k s LEU 141 Cb 0.13 -3.60 -0.05 0.00 0.03 0.00 0.00 46.19 42.70 3k1k s LEU 141 CO 0.18 -0.03 1.17 -1.61 0.23 0.00 0.00 176.35 176.29 3k1k s GLU 142 N -0.58 3.23 -1.24 1.70 2.02 0.03 -4.85 118.70 119.01 3k1k s GLU 142 Ca 0.45 1.72 -0.17 0.00 0.02 0.00 0.00 54.97 56.99 3k1k s GLU 142 Cb -0.26 -2.01 0.10 0.00 0.10 0.00 0.00 34.13 32.06 3k1k s GLU 142 CO 0.32 -0.98 1.61 -0.47 0.02 0.00 0.00 175.26 175.77 3k1k s TYR 143 N -1.67 2.96 0.21 1.61 5.04 -1.26 -4.83 117.35 119.40 3k1k s TYR 143 Ca 0.74 -1.68 -0.22 0.00 -2.44 0.00 0.00 57.07 53.47 3k1k s TYR 143 Cb -0.27 -4.62 0.07 0.00 0.35 0.00 0.00 41.96 37.49 3k1k s TYR 143 CO 0.30 -1.70 0.99 0.54 -1.34 0.00 0.00 175.55 174.34 3k1k s ASN 144 N 3.91 -0.03 -0.02 4.32 2.20 -1.26 -4.89 114.94 119.17 3k1k s ASN 144 Ca 0.50 -0.70 -0.06 0.00 -0.94 0.00 0.00 52.86 51.66 3k1k s ASN 144 Cb 0.02 0.55 0.00 0.00 -2.00 0.00 0.00 41.25 39.82 3k1k s ASN 144 CO 0.04 -1.08 0.13 -0.47 -2.94 0.00 0.00 177.10 172.77 3k1k s TYR 145 N -2.40 -0.02 0.40 1.54 5.04 -1.26 -4.85 117.35 115.79 3k1k s TYR 145 Ca 0.19 0.05 0.04 0.00 -2.44 0.00 0.00 57.07 54.91 3k1k s TYR 145 Cb -0.03 -0.02 0.07 0.00 0.35 0.00 0.00 41.96 42.34 3k1k s TYR 145 CO 0.06 -0.19 0.55 0.09 -1.34 0.00 0.00 175.55 174.71 3k1k n ASN 146 N 2.11 1.13 -4.36 4.32 3.02 -1.26 -4.68 115.26 115.55 3k1k n ASN 146 Ca -0.19 -1.86 -0.33 0.00 -0.03 0.00 0.00 54.58 52.17 3k1k n ASN 146 Cb 0.57 -0.32 -0.14 0.00 -0.61 0.00 0.00 39.78 39.28 3k1k n ASN 146 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3k1k s SER 147 N -3.35 3.97 0.26 6.41 0.01 -1.26 -4.18 113.70 115.55 3k1k s SER 147 Ca 0.39 -0.35 0.01 0.00 1.31 0.00 0.00 55.95 57.32 3k1k s SER 147 Cb -0.03 -1.61 -0.05 0.00 0.21 0.00 0.00 66.02 64.55 3k1k s SER 147 CO 0.25 0.15 0.09 -1.00 0.41 0.00 0.00 173.24 173.15 3k1k s HIS 148 N 0.43 1.54 -0.18 2.43 3.76 -0.98 -4.98 115.29 117.30 3k1k s HIS 148 Ca -0.10 -1.17 -0.02 0.00 -0.15 0.00 0.00 55.06 53.62 3k1k s HIS 148 Cb -0.16 -0.90 -0.01 0.00 1.11 0.00 0.00 32.58 32.62 3k1k s HIS 148 CO 0.05 -0.32 -0.10 -0.80 -0.85 0.00 0.00 174.74 172.72 3k1k s ASN 149 N -3.31 4.03 -0.21 1.40 0.01 -1.26 -1.48 114.94 114.12 3k1k s ASN 149 Ca 0.37 -0.41 -0.20 0.00 -0.71 0.00 0.00 52.86 51.91 3k1k s ASN 149 Cb 0.08 -1.66 -0.03 0.00 0.41 0.00 0.00 41.25 40.06 3k1k s ASN 149 CO 0.13 0.05 0.61 -0.69 -1.51 0.00 0.00 177.10 175.69 3k1k s VAL 150 N 1.07 5.03 -0.39 1.60 1.01 0.63 -4.69 120.40 124.66 3k1k s VAL 150 Ca 0.00 1.13 -0.15 0.00 0.00 0.00 0.00 61.98 62.96 3k1k s VAL 150 Cb -0.15 -3.92 0.01 0.00 0.00 0.00 0.00 36.38 32.32 3k1k s VAL 150 CO -0.02 0.11 0.33 -0.31 0.00 0.00 0.00 175.10 175.21 3k1k s TYR 151 N 1.95 3.22 -0.19 5.22 2.02 -0.59 0.20 117.35 129.17 3k1k s TYR 151 Ca 0.27 -0.40 -0.08 0.00 -0.37 0.00 0.00 57.07 56.50 3k1k s TYR 151 Cb -0.16 -2.66 -0.04 0.00 -0.40 0.00 0.00 41.96 38.70 3k1k s TYR 151 CO 0.10 -0.56 0.07 0.42 -1.57 0.00 0.00 175.55 174.01 3k1k s ILE 152 N 1.85 4.81 0.38 2.71 1.01 0.17 -1.39 121.20 130.74 3k1k s ILE 152 Ca 0.08 -0.02 0.03 0.00 0.00 0.00 0.00 60.65 60.73 3k1k s ILE 152 Cb -0.18 -3.18 -0.01 0.00 0.01 0.00 0.00 42.46 39.10 3k1k s ILE 152 CO 0.11 0.44 0.10 1.07 0.00 0.00 0.00 174.94 176.66 3k1k n THR 153 N 3.71 0.00 -4.51 2.92 5.66 -0.72 -1.39 114.28 119.95 3k1k n THR 153 Ca -0.16 -2.09 -0.30 0.00 -3.05 0.00 0.00 64.05 58.45 3k1k n THR 153 Cb 0.52 0.67 -0.12 0.00 -1.55 0.00 0.00 70.33 69.85 3k1k n THR 153 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3k1k s ALA 154 N -2.92 2.55 -0.53 1.79 0.00 -1.26 -2.13 121.76 119.26 3k1k s ALA 154 Ca 0.14 -1.31 -0.04 0.00 0.00 0.00 0.00 51.96 50.75 3k1k s ALA 154 Cb 0.01 -0.61 0.14 0.00 0.00 0.00 0.00 23.12 22.65 3k1k s ALA 154 CO 0.10 0.57 0.35 0.34 0.00 0.00 0.00 175.76 177.12 3k1k s ASP 155 N -1.78 5.35 0.16 0.00 3.68 0.56 -4.67 116.67 119.97 3k1k s ASP 155 Ca 0.15 -2.42 -0.15 0.00 2.13 0.00 0.00 52.55 52.26 3k1k s ASP 155 Cb -0.10 -1.87 0.04 0.00 -1.45 0.00 0.00 42.92 39.53 3k1k s ASP 155 CO 0.07 -0.48 1.81 0.50 0.13 0.00 0.00 175.17 177.20 3k1k h LYS 156 N 7.62 0.54 0.00 4.34 1.63 -1.97 -0.45 116.57 128.28 3k1k h LYS 156 Ca -0.08 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.69 3k1k h LYS 156 Cb 1.01 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.51 3k1k h LYS 156 CO 0.73 0.36 0.00 0.37 -3.45 0.00 0.00 179.45 177.46 3k1k h GLN 157 N 0.56 0.00 -0.01 1.90 4.15 -1.94 -0.47 115.11 119.30 3k1k h GLN 157 Ca 0.17 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.59 3k1k h GLN 157 Cb -0.03 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.66 3k1k h GLN 157 CO -0.05 0.00 -0.09 1.63 -1.93 0.00 0.00 178.83 178.39 3k1k n LYS 158 N -2.32 1.51 -3.78 1.69 4.76 -0.63 -5.00 118.16 114.41 3k1k n LYS 158 Ca -0.01 -0.62 -0.27 0.00 -2.87 0.00 0.00 58.31 54.55 3k1k n LYS 158 Cb 0.06 -1.02 0.04 0.00 -1.84 0.00 0.00 35.03 32.28 3k1k n LYS 158 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3k1k n ASN 159 N -0.10 -4.37 0.00 4.39 5.15 -0.19 -4.71 115.26 115.44 3k1k n ASN 159 Ca 0.03 -0.72 0.00 0.00 -0.60 0.00 0.00 54.58 53.29 3k1k n ASN 159 Cb 0.14 -4.25 0.00 0.00 -0.53 0.00 0.00 39.78 35.15 3k1k n ASN 159 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3k1k n GLY 160 N -1.72 4.04 3.19 8.20 0.00 -0.76 -4.41 105.19 113.73 3k1k n GLY 160 Ca -0.04 -0.38 -0.11 0.00 0.00 0.00 0.00 46.02 45.48 3k1k n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3k1k s ILE 161 N 0.14 0.67 0.34 -0.61 -4.36 -0.84 -0.32 121.20 116.22 3k1k s ILE 161 Ca 0.00 -1.95 0.09 0.00 -0.26 0.00 0.00 60.65 58.54 3k1k s ILE 161 Cb 0.00 -1.79 -0.06 0.00 1.25 0.00 0.00 42.46 41.86 3k1k s ILE 161 CO 0.00 -0.77 -0.04 -0.54 0.24 0.00 0.00 174.94 173.83 3k1k s LYS 162 N -3.86 1.96 -0.04 0.37 1.02 -0.90 -1.18 119.74 117.11 3k1k s LYS 162 Ca 0.15 -1.82 -0.22 0.00 0.02 0.00 0.00 55.97 54.10 3k1k s LYS 162 Cb 0.05 -1.84 0.05 0.00 -0.52 0.00 0.00 37.83 35.57 3k1k s LYS 162 CO -0.03 0.15 0.49 0.00 -0.92 0.00 0.00 175.35 175.04 3k1k s ALA 163 N -2.55 -1.25 -0.05 5.17 0.00 0.46 -1.76 121.76 121.78 3k1k s ALA 163 Ca 0.34 0.83 -0.04 0.00 0.00 0.00 0.00 51.96 53.09 3k1k s ALA 163 Cb 0.01 -0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.13 3k1k s ALA 163 CO 0.18 -0.31 0.12 -0.80 0.00 0.00 0.00 175.76 174.95 3k1k s ASN 164 N -1.18 -0.11 0.08 0.00 -0.87 -0.48 -0.96 114.94 111.41 3k1k s ASN 164 Ca -0.12 0.24 -0.27 0.00 -1.57 0.00 0.00 52.86 51.15 3k1k s ASN 164 Cb -0.03 0.22 0.08 0.00 -0.02 0.00 0.00 41.25 41.51 3k1k s ASN 164 CO 0.07 -0.06 1.00 0.72 -2.57 0.00 0.00 177.10 176.25 3k1k s PHE 165 N 0.31 -0.16 -0.18 2.20 -0.71 -1.11 -1.54 117.98 116.79 3k1k s PHE 165 Ca -0.02 -0.06 0.01 0.00 -1.04 0.00 0.00 56.93 55.82 3k1k s PHE 165 Cb -0.03 0.60 0.03 0.00 -1.21 0.00 0.00 43.02 42.40 3k1k s PHE 165 CO -0.01 -0.66 -0.17 0.15 -1.34 0.00 0.00 175.22 173.19 3k1k s LYS 166 N -3.08 2.69 0.12 1.99 1.02 -1.26 -0.75 119.74 120.46 3k1k s LYS 166 Ca 0.11 -0.82 -0.24 0.00 0.02 0.00 0.00 55.97 55.04 3k1k s LYS 166 Cb -0.00 -2.49 -0.07 0.00 -0.52 0.00 0.00 37.83 34.75 3k1k s LYS 166 CO -0.01 -0.27 0.72 0.42 -0.92 0.00 0.00 175.35 175.29 3k1k s ILE 167 N 1.32 4.51 -0.32 2.17 -1.09 -0.64 -4.90 121.20 122.26 3k1k s ILE 167 Ca 0.03 1.58 -0.05 0.00 -2.23 0.00 0.00 60.65 59.97 3k1k s ILE 167 Cb -0.14 -4.08 0.04 0.00 -1.58 0.00 0.00 42.46 36.70 3k1k s ILE 167 CO -0.11 0.51 0.07 -0.13 -1.23 0.00 0.00 174.94 174.05 3k1k s ARG 168 N -0.96 2.66 -0.27 2.79 0.52 -1.26 -1.15 118.95 121.28 3k1k s ARG 168 Ca 0.34 -1.14 -0.14 0.00 -0.52 0.00 0.00 55.73 54.27 3k1k s ARG 168 Cb -0.22 -3.37 -0.04 0.00 0.52 0.00 0.00 34.95 31.84 3k1k s ARG 168 CO 0.24 -0.61 0.34 -1.01 0.02 0.00 0.00 175.30 174.28 3k1k s HIS 169 N 1.38 3.25 0.12 -0.53 3.76 -0.31 -4.39 115.29 118.57 3k1k s HIS 169 Ca -0.02 0.37 -0.31 0.00 -0.15 0.00 0.00 55.06 54.95 3k1k s HIS 169 Cb -0.19 -2.53 -0.08 0.00 1.11 0.00 0.00 32.58 30.88 3k1k s HIS 169 CO 0.02 -0.21 1.43 -0.80 -0.85 0.00 0.00 174.74 174.34 3k1k s ASN 170 N 1.63 6.77 -0.01 1.40 0.01 -1.26 0.10 114.94 123.58 3k1k s ASN 170 Ca 0.14 2.38 0.00 0.00 -0.71 0.00 0.00 52.86 54.67 3k1k s ASN 170 Cb -0.16 -2.59 -0.04 0.00 0.41 0.00 0.00 41.25 38.88 3k1k s ASN 170 CO 0.10 -0.70 0.04 -0.63 -1.51 0.00 0.00 177.10 174.40 3k1k s ILE 171 N 1.19 4.44 0.63 0.60 -1.09 -0.35 -0.79 121.20 125.82 3k1k s ILE 171 Ca 0.66 -0.49 0.36 0.00 -2.23 0.00 0.00 60.65 58.95 3k1k s ILE 171 Cb -0.38 -3.00 0.39 0.00 -1.58 0.00 0.00 42.46 37.89 3k1k s ILE 171 CO 0.30 0.37 2.29 1.05 -1.23 0.00 0.00 174.94 177.73 3k1k h GLU 172 N 4.26 0.00 0.00 2.79 4.11 -1.54 -1.27 114.58 122.92 3k1k h GLU 172 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.94 3k1k h GLU 172 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3k1k h GLU 172 CO 0.60 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.28 3k1k n ASP 173 N -3.49 0.00 0.00 3.06 5.68 -1.26 -4.85 116.55 115.69 3k1k n ASP 173 Ca -0.03 -1.08 0.00 0.00 -0.50 0.00 0.00 54.79 53.18 3k1k n ASP 173 Cb 0.10 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.08 3k1k n ASP 173 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3k1k n GLY 174 N 0.76 0.23 1.38 6.12 0.00 -0.48 -5.07 105.19 108.12 3k1k n GLY 174 Ca 0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.11 3k1k n GLY 174 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3k1k n SER 175 N 0.00 0.41 -3.85 1.61 3.41 -1.22 -4.90 113.62 109.08 3k1k n SER 175 Ca 0.00 -1.37 -0.12 0.00 -0.26 0.00 0.00 58.87 57.12 3k1k n SER 175 Cb 0.00 -0.25 -0.13 0.00 -0.26 0.00 0.00 64.21 63.57 3k1k n SER 175 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3k1k s VAL 176 N -1.12 0.01 -0.20 -3.33 1.01 -1.26 -1.21 120.40 114.30 3k1k s VAL 176 Ca 0.24 -0.08 -0.01 0.00 0.00 0.00 0.00 61.98 62.13 3k1k s VAL 176 Cb -0.01 -0.15 0.01 0.00 0.00 0.00 0.00 36.38 36.23 3k1k s VAL 176 CO 0.16 -0.04 -0.14 -1.58 0.00 0.00 0.00 175.10 173.50 3k1k s GLN 177 N -0.10 3.11 0.04 2.72 2.00 0.11 -4.92 119.66 122.63 3k1k s GLN 177 Ca -0.02 -0.77 -0.26 0.00 -2.00 0.00 0.00 55.36 52.31 3k1k s GLN 177 Cb -0.01 -2.75 -0.05 0.00 0.80 0.00 0.00 33.01 30.99 3k1k s GLN 177 CO 0.00 -0.22 0.82 -0.51 -0.50 0.00 0.00 175.29 174.88 3k1k s LEU 178 N 1.36 4.43 -0.38 3.68 1.43 -1.26 -1.16 118.68 126.78 3k1k s LEU 178 Ca 0.05 1.51 -0.01 0.00 -1.03 0.00 0.00 54.13 54.65 3k1k s LEU 178 Cb -0.14 -3.32 0.10 0.00 0.03 0.00 0.00 46.19 42.86 3k1k s LEU 178 CO -0.09 -0.05 0.14 0.00 0.23 0.00 0.00 176.35 176.58 3k1k s ALA 179 N 0.18 3.05 -0.21 4.21 0.00 -0.30 -1.29 121.76 127.40 3k1k s ALA 179 Ca 0.42 -2.48 -0.29 0.00 0.00 0.00 0.00 51.96 49.60 3k1k s ALA 179 Cb -0.21 -2.23 -0.02 0.00 0.00 0.00 0.00 23.12 20.65 3k1k s ALA 179 CO 0.24 -1.73 1.54 -0.51 0.00 0.00 0.00 175.76 175.30 3k1k s ASP 180 N 1.49 6.50 -0.22 0.00 1.01 -0.16 -1.62 116.67 123.67 3k1k s ASP 180 Ca 0.08 1.61 -0.11 0.00 0.71 0.00 0.00 52.55 54.84 3k1k s ASP 180 Cb -0.21 -2.53 -0.05 0.00 1.01 0.00 0.00 42.92 41.13 3k1k s ASP 180 CO -0.05 -1.16 0.19 -1.00 0.21 0.00 0.00 175.17 173.36 3k1k s HIS 181 N 4.82 3.36 -0.17 4.23 3.76 0.07 -1.06 115.29 130.29 3k1k s HIS 181 Ca 0.68 0.33 0.00 0.00 -0.15 0.00 0.00 55.06 55.92 3k1k s HIS 181 Cb -0.24 -2.28 0.01 0.00 1.11 0.00 0.00 32.58 31.18 3k1k s HIS 181 CO 0.27 0.13 -0.16 0.71 -0.85 0.00 0.00 174.74 174.84 3k1k s TYR 182 N 0.86 2.79 -0.03 1.40 2.02 -0.25 -2.75 117.35 121.40 3k1k s TYR 182 Ca 0.10 -1.24 0.04 0.00 -0.37 0.00 0.00 57.07 55.60 3k1k s TYR 182 Cb -0.13 -1.92 -0.00 0.00 -0.40 0.00 0.00 41.96 39.50 3k1k s TYR 182 CO 0.03 -0.60 -0.15 -1.14 -1.57 0.00 0.00 175.55 172.12 3k1k s GLN 183 N 1.06 1.43 -0.06 -0.62 0.74 -0.13 -1.49 119.66 120.59 3k1k s GLN 183 Ca -0.01 -0.53 -0.00 0.00 0.05 0.00 0.00 55.36 54.87 3k1k s GLN 183 Cb -0.14 -1.30 0.03 0.00 1.10 0.00 0.00 33.01 32.69 3k1k s GLN 183 CO -0.05 0.25 -0.02 -1.14 -0.55 0.00 0.00 175.29 173.78 3k1k s GLN 184 N -0.07 0.69 -0.07 1.67 2.00 -0.45 -0.41 119.66 123.03 3k1k s GLN 184 Ca -0.00 0.01 0.03 0.00 -2.00 0.00 0.00 55.36 53.40 3k1k s GLN 184 Cb -0.09 -0.88 -0.02 0.00 0.80 0.00 0.00 33.01 32.81 3k1k s GLN 184 CO 0.01 -0.20 -0.16 -0.80 -0.50 0.00 0.00 175.29 173.64 3k1k s ASN 185 N 1.44 3.84 -0.03 6.67 -0.87 -0.32 -1.38 114.94 124.28 3k1k s ASN 185 Ca -0.03 -0.29 -0.00 0.00 -1.57 0.00 0.00 52.86 50.97 3k1k s ASN 185 Cb -0.13 -1.03 0.03 0.00 -0.02 0.00 0.00 41.25 40.10 3k1k s ASN 185 CO -0.03 0.28 0.02 -0.89 -2.57 0.00 0.00 177.10 173.91 3k1k s THR 186 N -0.36 0.07 0.37 1.60 2.01 -0.84 -1.98 115.64 116.51 3k1k s THR 186 Ca 0.03 0.19 -0.28 0.00 0.31 0.00 0.00 61.69 61.95 3k1k s THR 186 Cb -0.12 -0.22 -0.11 0.00 0.01 0.00 0.00 72.50 72.06 3k1k s THR 186 CO 0.02 0.15 1.48 -0.81 -0.69 0.00 0.00 174.62 174.77 3k1k n PRO 187 N 4.47 2.65 0.05 4.92 -0.04 -1.26 -0.01 135.00 145.79 3k1k n PRO 187 Ca -0.21 0.93 -0.04 0.00 -0.04 0.00 0.00 63.50 64.15 3k1k n PRO 187 Cb 0.50 -2.66 -0.08 0.00 -0.04 0.00 0.00 33.50 31.22 3k1k n PRO 187 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3k1k h ILE 188 N 2.94 1.02 -3.56 0.52 2.04 -1.37 -3.45 117.51 115.66 3k1k h ILE 188 Ca -0.50 -2.64 -0.40 0.00 1.00 0.00 0.00 64.86 62.32 3k1k h ILE 188 Cb 1.24 2.45 0.18 0.00 -0.74 0.00 0.00 36.82 39.95 3k1k h ILE 188 CO 0.64 0.58 0.28 0.61 0.00 0.00 0.00 178.15 180.26 3k1k n GLY 189 N 1.38 -2.05 0.00 5.37 0.00 -1.25 -5.00 105.19 103.65 3k1k n GLY 189 Ca -0.06 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.35 3k1k n GLY 189 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3k1k n ASP 190 N -4.25 4.88 -4.20 1.61 9.92 -1.26 -5.06 116.55 118.19 3k1k n ASP 190 Ca 0.15 0.00 -0.35 0.00 -0.53 0.00 0.00 54.79 54.07 3k1k n ASP 190 Cb 0.56 0.66 0.11 0.00 -0.64 0.00 0.00 41.12 41.80 3k1k n ASP 190 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3k1k n GLY 191 N 2.77 -2.81 3.74 0.44 0.00 -1.26 -4.86 105.19 103.21 3k1k n GLY 191 Ca 0.00 -0.62 -0.38 0.00 0.00 0.00 0.00 46.02 45.02 3k1k n GLY 191 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3k1k s PRO 192 N -2.95 2.88 -0.01 1.61 0.02 -1.26 -5.03 135.00 130.26 3k1k s PRO 192 Ca 0.49 2.16 0.03 0.00 0.02 0.00 0.00 61.00 63.70 3k1k s PRO 192 Cb -0.09 -2.07 -0.00 0.00 0.02 0.00 0.00 34.50 32.35 3k1k s PRO 192 CO 0.69 -1.37 -0.09 0.14 -0.33 0.00 0.00 177.00 176.04 3k1k s VAL 193 N -1.34 0.71 0.22 3.83 -7.23 -1.26 -4.87 120.40 110.45 3k1k s VAL 193 Ca 0.76 -0.36 -0.32 0.00 -1.81 0.00 0.00 61.98 60.25 3k1k s VAL 193 Cb -0.39 -0.61 -0.13 0.00 0.56 0.00 0.00 36.38 35.81 3k1k s VAL 193 CO 0.44 0.21 1.52 0.18 -0.31 0.00 0.00 175.10 177.14 3k1k n LEU 194 N 3.00 3.34 -4.11 1.32 4.77 -1.26 -4.98 117.00 119.08 3k1k n LEU 194 Ca -0.15 1.11 -0.35 0.00 -0.03 0.00 0.00 56.01 56.60 3k1k n LEU 194 Cb 0.56 -1.46 -0.13 0.00 -2.33 0.00 0.00 43.42 40.06 3k1k n LEU 194 CO 0.25 -0.28 -0.26 -0.76 -1.33 0.00 0.00 177.39 175.01 3k1k s LEU 195 N 0.40 4.74 0.66 2.23 1.43 -1.26 -4.48 118.68 122.40 3k1k s LEU 195 Ca 0.72 -1.84 -0.12 0.00 -1.03 0.00 0.00 54.13 51.86 3k1k s LEU 195 Cb -0.63 -1.75 -0.01 0.00 0.03 0.00 0.00 46.19 43.83 3k1k s LEU 195 CO 0.44 -0.42 1.06 -2.16 0.23 0.00 0.00 176.35 175.49 3k1k s PRO 196 N 1.12 3.08 0.67 1.29 0.04 -1.26 -5.00 135.00 134.93 3k1k s PRO 196 Ca 0.05 1.02 -0.12 0.00 0.04 0.00 0.00 61.00 61.99 3k1k s PRO 196 Cb -0.21 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.32 3k1k s PRO 196 CO -0.04 -0.99 1.05 -0.51 0.04 0.00 0.00 177.00 176.55 3k1k s ASP 197 N -3.50 5.59 -0.01 6.66 -0.00 -1.26 -4.35 116.67 119.80 3k1k s ASP 197 Ca 0.59 1.61 -0.35 0.00 -0.00 0.00 0.00 52.55 54.40 3k1k s ASP 197 Cb -0.14 -2.50 -0.14 0.00 -0.00 0.00 0.00 42.92 40.14 3k1k s ASP 197 CO 0.49 -1.30 1.67 0.59 -0.00 0.00 0.00 175.17 176.62 3k1k n ASN 198 N -2.90 2.86 -1.53 0.27 4.13 -1.26 -4.83 115.26 111.99 3k1k n ASN 198 Ca 0.07 1.05 -0.03 0.00 1.68 0.00 0.00 54.58 57.35 3k1k n ASN 198 Cb 0.54 -1.32 0.01 0.00 -1.54 0.00 0.00 39.78 37.46 3k1k n ASN 198 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3k1k n HIS 199 N 4.70 -1.30 -3.95 3.10 1.44 -0.49 -4.80 115.22 113.93 3k1k n HIS 199 Ca 0.21 -0.57 -0.09 0.00 -2.01 0.00 0.00 57.72 55.26 3k1k n HIS 199 Cb 0.25 0.26 -0.09 0.00 0.12 0.00 0.00 29.99 30.52 3k1k n HIS 199 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 3k1k s TYR 200 N -6.60 0.24 -0.13 -1.40 -0.85 -0.46 0.45 117.35 108.59 3k1k s TYR 200 Ca 0.05 -0.58 -0.06 0.00 -0.52 0.00 0.00 57.07 55.96 3k1k s TYR 200 Cb -0.01 -0.17 -0.04 0.00 0.38 0.00 0.00 41.96 42.12 3k1k s TYR 200 CO 0.04 -0.37 0.09 -0.51 -1.52 0.00 0.00 175.55 173.27 3k1k s LEU 201 N -2.25 4.04 -0.37 -3.49 1.43 0.13 -1.31 118.68 116.86 3k1k s LEU 201 Ca -0.03 0.28 -0.09 0.00 -1.03 0.00 0.00 54.13 53.26 3k1k s LEU 201 Cb 0.00 -1.99 0.05 0.00 0.03 0.00 0.00 46.19 44.28 3k1k s LEU 201 CO -0.06 0.32 0.18 -0.55 0.23 0.00 0.00 176.35 176.48 3k1k s SER 202 N -0.52 5.56 -0.07 2.29 0.15 0.11 -0.27 113.70 120.95 3k1k s SER 202 Ca 0.11 -1.19 0.01 0.00 0.70 0.00 0.00 55.95 55.58 3k1k s SER 202 Cb -0.12 -1.96 -0.03 0.00 -1.71 0.00 0.00 66.02 62.21 3k1k s SER 202 CO 0.02 -0.41 -0.09 -0.89 1.20 0.00 0.00 173.24 173.08 3k1k s THR 203 N 1.46 3.53 -0.02 6.45 2.01 -0.55 -1.53 115.64 127.00 3k1k s THR 203 Ca 0.01 -0.54 0.02 0.00 0.31 0.00 0.00 61.69 61.49 3k1k s THR 203 Cb -0.20 -2.43 0.00 0.00 0.01 0.00 0.00 72.50 69.88 3k1k s THR 203 CO 0.04 0.59 -0.06 -1.10 -0.69 0.00 0.00 174.62 173.40 3k1k s GLN 204 N -0.74 0.64 0.00 4.92 -0.21 -0.27 -2.32 119.66 121.69 3k1k s GLN 204 Ca 0.11 -0.21 -0.01 0.00 0.02 0.00 0.00 55.36 55.28 3k1k s GLN 204 Cb -0.11 -0.63 -0.00 0.00 1.00 0.00 0.00 33.01 33.26 3k1k s GLN 204 CO 0.01 0.09 0.01 -1.12 -2.12 0.00 0.00 175.29 172.15 3k1k s SER 205 N 0.14 0.05 -0.09 5.90 0.01 -1.26 -0.80 113.70 117.66 3k1k s SER 205 Ca -0.02 -0.12 0.01 0.00 1.31 0.00 0.00 55.95 57.14 3k1k s SER 205 Cb -0.06 0.05 0.02 0.00 0.21 0.00 0.00 66.02 66.24 3k1k s SER 205 CO -0.00 -0.09 -0.12 0.00 0.41 0.00 0.00 173.24 173.43 3k1k s ALA 206 N -0.42 1.40 -0.11 1.44 0.00 0.12 -4.46 121.76 119.72 3k1k s ALA 206 Ca -0.05 -0.54 -0.05 0.00 0.00 0.00 0.00 51.96 51.32 3k1k s ALA 206 Cb -0.03 -0.72 -0.04 0.00 0.00 0.00 0.00 23.12 22.33 3k1k s ALA 206 CO -0.00 -0.06 0.09 -0.51 0.00 0.00 0.00 175.76 175.28 3k1k s LEU 207 N 0.99 4.09 0.18 0.00 1.43 -1.26 -1.00 118.68 123.11 3k1k s LEU 207 Ca -0.08 0.34 -0.05 0.00 -1.03 0.00 0.00 54.13 53.31 3k1k s LEU 207 Cb -0.15 -1.98 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 3k1k s LEU 207 CO -0.01 0.38 0.21 -0.94 0.23 0.00 0.00 176.35 176.22 3k1k s SER 208 N -0.88 0.13 0.11 2.29 1.04 0.09 -4.91 113.70 111.57 3k1k s SER 208 Ca 0.14 -1.12 0.05 0.00 0.48 0.00 0.00 55.95 55.50 3k1k s SER 208 Cb -0.12 0.40 -0.04 0.00 0.10 0.00 0.00 66.02 66.37 3k1k s SER 208 CO 0.03 -0.87 0.03 -0.54 0.98 0.00 0.00 173.24 172.87 3k1k s LYS 209 N -4.05 2.62 -0.36 4.02 -0.14 -1.26 -0.80 119.74 119.77 3k1k s LYS 209 Ca 0.26 -0.86 -0.19 0.00 -1.36 0.00 0.00 55.97 53.82 3k1k s LYS 209 Cb 0.05 -2.56 0.00 0.00 -1.68 0.00 0.00 37.83 33.64 3k1k s LYS 209 CO 0.05 0.52 0.57 0.34 -0.76 0.00 0.00 175.35 176.07 3k1k s ASP 210 N -2.53 6.36 0.48 2.83 -1.08 -1.26 -4.96 116.67 116.51 3k1k s ASP 210 Ca 0.27 0.02 0.24 0.00 -0.52 0.00 0.00 52.55 52.56 3k1k s ASP 210 Cb -0.11 -2.29 1.21 0.00 -1.46 0.00 0.00 42.92 40.26 3k1k s ASP 210 CO 0.20 -0.54 1.98 -0.65 0.52 0.00 0.00 175.17 176.67 3k1k h PRO 211 N 8.48 0.00 -0.75 4.34 0.11 -2.03 -1.82 132.00 140.34 3k1k h PRO 211 Ca -0.27 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.69 3k1k h PRO 211 Cb 1.12 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.14 3k1k h PRO 211 CO 0.80 0.18 0.19 0.09 -0.21 0.00 0.00 178.00 179.06 3k1k n ASN 212 N -3.67 4.75 -4.08 -2.05 3.02 -1.26 -4.88 115.26 107.08 3k1k n ASN 212 Ca -0.01 -3.03 -0.30 0.00 -0.03 0.00 0.00 54.58 51.21 3k1k n ASN 212 Cb 0.31 -0.71 -0.17 0.00 -0.61 0.00 0.00 39.78 38.60 3k1k n ASN 212 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3k1k s GLU 213 N -2.70 2.43 -0.07 3.52 2.56 -0.68 -5.03 118.70 118.73 3k1k s GLU 213 Ca 0.50 -0.64 0.19 0.00 0.00 0.00 0.00 54.97 55.02 3k1k s GLU 213 Cb 0.39 -2.04 -0.24 0.00 2.00 0.00 0.00 34.13 34.24 3k1k s GLU 213 CO 0.13 -0.06 0.43 1.63 -0.56 0.00 0.00 175.26 176.83 3k1k n LYS 214 N 4.19 0.66 -1.33 4.30 5.02 -1.26 -4.88 118.16 124.86 3k1k n LYS 214 Ca -0.19 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.79 3k1k n LYS 214 Cb 0.51 -1.61 0.09 0.00 -0.02 0.00 0.00 35.03 34.01 3k1k n LYS 214 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3k1k s ARG 215 N -2.95 2.14 -0.05 1.97 0.52 -1.26 -4.97 118.95 114.35 3k1k s ARG 215 Ca -0.07 1.00 -0.30 0.00 -0.52 0.00 0.00 55.73 55.84 3k1k s ARG 215 Cb 0.09 -1.90 -0.05 0.00 0.52 0.00 0.00 34.95 33.61 3k1k s ARG 215 CO 0.85 -1.68 1.57 0.34 0.02 0.00 0.00 175.30 176.40 3k1k s ASP 216 N -3.52 6.72 0.00 0.23 2.15 -1.26 -4.97 116.67 116.02 3k1k s ASP 216 Ca 0.61 2.18 0.00 0.00 0.43 0.00 0.00 52.55 55.77 3k1k s ASP 216 Cb -0.16 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.91 3k1k s ASP 216 CO 0.56 -0.87 0.00 0.00 -0.17 0.00 0.00 175.17 174.69 3k1k n HIS 217 N 6.66 0.00 -3.76 -5.34 1.44 -1.26 -0.52 115.22 112.44 3k1k n HIS 217 Ca 0.16 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.72 3k1k n HIS 217 Cb 0.43 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.38 3k1k n HIS 217 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 3k1k s VAL 219 N -0.53 -0.06 -0.12 0.61 1.01 0.02 -4.96 120.40 116.36 3k1k s VAL 219 Ca 0.00 0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.21 3k1k s VAL 219 Cb 0.00 -0.13 0.01 0.00 0.00 0.00 0.00 36.38 36.26 3k1k s VAL 219 CO 0.00 0.09 -0.17 -0.22 0.00 0.00 0.00 175.10 174.80 3k1k s LEU 220 N 1.14 1.84 -0.16 3.92 2.96 0.94 -0.73 118.68 128.60 3k1k s LEU 220 Ca -0.09 -0.49 -0.02 0.00 -0.22 0.00 0.00 54.13 53.31 3k1k s LEU 220 Cb -0.13 -1.21 -0.02 0.00 0.50 0.00 0.00 46.19 45.34 3k1k s LEU 220 CO -0.04 0.02 -0.08 -0.22 -1.32 0.00 0.00 176.35 174.71 3k1k s LEU 221 N 1.01 2.92 -0.00 -0.68 2.96 -0.17 -1.46 118.68 123.25 3k1k s LEU 221 Ca -0.05 -0.28 -0.03 0.00 -0.22 0.00 0.00 54.13 53.55 3k1k s LEU 221 Cb -0.15 -1.69 -0.00 0.00 0.50 0.00 0.00 46.19 44.85 3k1k s LEU 221 CO -0.03 0.12 0.05 -0.70 -1.32 0.00 0.00 176.35 174.47 3k1k s GLU 222 N 0.61 0.26 -0.06 1.98 2.12 -0.54 0.11 118.70 123.18 3k1k s GLU 222 Ca -0.05 -0.28 0.01 0.00 0.36 0.00 0.00 54.97 55.01 3k1k s GLU 222 Cb -0.15 0.10 0.02 0.00 0.26 0.00 0.00 34.13 34.36 3k1k s GLU 222 CO 0.03 -0.05 -0.07 -0.06 -0.54 0.00 0.00 175.26 174.56 3k1k s PHE 223 N -0.85 1.07 -0.12 5.30 0.40 0.02 -0.45 117.98 123.35 3k1k s PHE 223 Ca -0.09 -0.37 -0.01 0.00 -0.60 0.00 0.00 56.93 55.86 3k1k s PHE 223 Cb -0.06 -0.87 0.03 0.00 0.51 0.00 0.00 43.02 42.63 3k1k s PHE 223 CO 0.00 -0.26 -0.06 0.08 0.70 0.00 0.00 175.22 175.68 3k1k s VAL 224 N 0.93 0.97 -0.09 -0.44 1.01 0.76 -1.11 120.40 122.43 3k1k s VAL 224 Ca -0.10 -0.32 0.04 0.00 0.00 0.00 0.00 61.98 61.60 3k1k s VAL 224 Cb -0.15 -1.04 0.00 0.00 0.00 0.00 0.00 36.38 35.20 3k1k s VAL 224 CO 0.01 0.30 -0.22 -0.89 0.00 0.00 0.00 175.10 174.30 3k1k s THR 225 N 1.72 1.87 0.63 3.92 2.01 -0.58 -0.69 115.64 124.52 3k1k s THR 225 Ca 0.04 -0.92 -0.13 0.00 0.31 0.00 0.00 61.69 61.00 3k1k s THR 225 Cb -0.13 -1.62 -0.02 0.00 0.01 0.00 0.00 72.50 70.74 3k1k s THR 225 CO -0.08 0.52 1.04 0.00 -0.69 0.00 0.00 174.62 175.41 3k1k s ALA 226 N 0.32 2.82 -0.09 7.40 0.00 -0.87 0.06 121.76 131.40 3k1k s ALA 226 Ca -0.16 0.15 -0.32 0.00 0.00 0.00 0.00 51.96 51.64 3k1k s ALA 226 Cb -0.17 -3.17 0.12 0.00 0.00 0.00 0.00 23.12 19.91 3k1k s ALA 226 CO 0.07 -0.89 1.12 0.00 0.00 0.00 0.00 175.76 176.07 3k1k s ALA 227 N -2.85 -2.01 0.00 0.00 0.00 -0.43 -4.62 121.76 111.86 3k1k s ALA 227 Ca 0.59 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.76 3k1k s ALA 227 Cb -0.13 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.13 3k1k s ALA 227 CO 0.47 -0.72 0.00 0.41 0.00 0.00 0.00 175.76 175.91 3k1k n GLY 228 N -0.22 1.73 0.00 0.00 0.00 -1.26 -1.36 105.19 104.08 3k1k n GLY 228 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3k1k n GLY 228 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71