#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 0.21 1.55 3.14 0.00 -1.81 -2.03 103.07 104.14 3k1k h GLY 4 Ca 0.00 -0.05 0.06 0.00 0.00 0.00 0.00 47.33 47.34 3k1k h GLY 4 CO 0.00 0.00 0.17 -2.09 0.00 0.00 0.00 176.54 174.62 3k1k h GLU 5 N 0.11 0.00 0.00 4.80 4.81 -1.93 -2.25 114.58 120.11 3k1k h GLU 5 Ca 0.37 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.60 3k1k h GLU 5 Cb 1.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.70 3k1k h GLU 5 CO -0.04 0.00 0.00 -0.85 -0.73 0.00 0.00 179.01 177.39 3k1k n GLU 6 N -4.12 0.54 0.00 1.92 0.28 -0.76 -2.15 120.64 116.34 3k1k n GLU 6 Ca 0.02 0.01 0.14 0.00 -0.16 0.00 0.00 57.16 57.17 3k1k n GLU 6 Cb 0.30 -1.50 0.76 0.00 1.43 0.00 0.00 31.44 32.44 3k1k n GLU 6 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 3k1k n LEU 7 N -1.22 0.00 -0.24 -1.84 4.77 -0.85 -3.98 117.00 113.65 3k1k n LEU 7 Ca 0.16 0.18 0.08 0.00 -0.03 0.00 0.00 56.01 56.39 3k1k n LEU 7 Cb 0.20 -0.18 0.12 0.00 -2.33 0.00 0.00 43.42 41.23 3k1k n LEU 7 CO 0.21 -0.01 0.48 0.49 -1.33 0.00 0.00 177.39 177.22 3k1k n PHE 8 N -1.18 0.00 1.01 -1.77 3.01 -0.92 -4.65 117.46 112.96 3k1k n PHE 8 Ca 0.16 -0.89 0.14 0.00 1.01 0.00 0.00 57.45 57.87 3k1k n PHE 8 Cb 0.18 -0.15 0.62 0.00 -0.01 0.00 0.00 39.48 40.12 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 -1.13 0.02 -3.79 4.37 -2.24 -1.26 -4.21 114.28 106.04 3k1k n THR 9 Ca 0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 3k1k n THR 9 Cb 0.67 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 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 1.46 4.37 3.69 3.38 0.00 -1.26 -4.85 105.19 111.97 3k1k n GLY 10 Ca 0.07 -1.69 -0.42 0.00 0.00 0.00 0.00 46.02 43.98 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 -1.62 4.03 -0.12 1.61 1.01 -1.26 -4.45 120.40 119.60 3k1k s VAL 11 Ca 0.00 1.37 0.01 0.00 0.00 0.00 0.00 61.98 63.36 3k1k s VAL 11 Cb 0.00 -3.88 -0.01 0.00 0.00 0.00 0.00 36.38 32.48 3k1k s VAL 11 CO 0.00 -0.01 -0.15 -0.69 0.00 0.00 0.00 175.10 174.26 3k1k s VAL 12 N 2.35 2.92 0.39 2.92 1.01 0.29 -4.94 120.40 125.35 3k1k s VAL 12 Ca 0.59 -0.72 -0.27 0.00 0.00 0.00 0.00 61.98 61.59 3k1k s VAL 12 Cb -0.27 -2.21 -0.09 0.00 0.00 0.00 0.00 36.38 33.81 3k1k s VAL 12 CO 0.24 0.54 1.31 -2.84 0.00 0.00 0.00 175.10 174.34 3k1k s PRO 13 N 0.23 4.05 0.07 2.72 0.02 -1.26 -0.70 135.00 140.14 3k1k s PRO 13 Ca -0.10 2.18 0.08 0.00 0.02 0.00 0.00 61.00 63.18 3k1k s PRO 13 Cb -0.16 -2.82 -0.03 0.00 0.02 0.00 0.00 34.50 31.51 3k1k s PRO 13 CO 0.06 -0.43 -0.23 0.42 -0.33 0.00 0.00 177.00 176.49 3k1k s ILE 14 N -1.24 1.84 -0.04 2.83 1.01 0.35 -0.80 121.20 125.16 3k1k s ILE 14 Ca 0.55 -1.41 0.01 0.00 0.00 0.00 0.00 60.65 59.80 3k1k s ILE 14 Cb -0.38 -1.62 0.02 0.00 0.01 0.00 0.00 42.46 40.49 3k1k s ILE 14 CO 0.50 0.13 -0.04 -0.22 0.00 0.00 0.00 174.94 175.31 3k1k s LEU 15 N -1.54 1.36 -0.03 2.97 2.96 0.12 -2.02 118.68 122.50 3k1k s LEU 15 Ca 0.09 -0.12 0.06 0.00 -0.22 0.00 0.00 54.13 53.94 3k1k s LEU 15 Cb -0.10 -0.43 -0.01 0.00 0.50 0.00 0.00 46.19 46.16 3k1k s LEU 15 CO 0.03 -0.05 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.10 3k1k s VAL 16 N 0.85 1.77 -0.03 1.68 1.01 0.73 -0.87 120.40 125.54 3k1k s VAL 16 Ca -0.11 -0.93 -0.00 0.00 0.00 0.00 0.00 61.98 60.93 3k1k s VAL 16 Cb -0.14 -1.48 0.03 0.00 0.00 0.00 0.00 36.38 34.78 3k1k s VAL 16 CO 0.00 0.50 0.02 -1.61 0.00 0.00 0.00 175.10 174.01 3k1k s GLU 17 N -0.31 0.14 -0.02 2.72 0.41 -0.52 0.18 118.70 121.31 3k1k s GLU 17 Ca 0.03 0.16 0.04 0.00 -0.41 0.00 0.00 54.97 54.79 3k1k s GLU 17 Cb -0.11 -0.43 -0.01 0.00 -1.78 0.00 0.00 34.13 31.81 3k1k s GLU 17 CO 0.01 -0.18 -0.13 -1.17 -0.49 0.00 0.00 175.26 173.29 3k1k s LEU 18 N 1.26 1.98 -0.13 1.80 0.20 -0.28 -0.45 118.68 123.05 3k1k s LEU 18 Ca -0.07 -0.25 0.01 0.00 0.69 0.00 0.00 54.13 54.52 3k1k s LEU 18 Cb -0.13 -0.70 -0.01 0.00 -0.43 0.00 0.00 46.19 44.92 3k1k s LEU 18 CO -0.03 0.15 -0.16 -1.81 -0.29 0.00 0.00 176.35 174.21 3k1k s ASP 19 N -0.20 3.72 0.18 3.68 -0.00 -0.64 -2.08 116.67 121.34 3k1k s ASP 19 Ca 0.03 -0.41 0.01 0.00 -0.00 0.00 0.00 52.55 52.19 3k1k s ASP 19 Cb -0.06 -1.55 -0.05 0.00 -0.00 0.00 0.00 42.92 41.26 3k1k s ASP 19 CO -0.00 0.15 0.02 -0.83 -0.00 0.00 0.00 175.17 174.51 3k1k s GLY 20 N 0.41 1.26 -0.28 0.21 0.00 -0.45 -0.96 107.32 107.52 3k1k s GLY 20 Ca -0.12 -1.61 -0.02 0.00 0.00 0.00 0.00 44.72 42.96 3k1k s GLY 20 CO 0.06 -1.52 0.52 -0.35 0.00 0.00 0.00 173.10 171.81 3k1k s ASP 21 N -3.18 -0.77 -0.16 1.64 2.15 -0.90 -1.78 116.67 113.68 3k1k s ASP 21 Ca 0.26 0.69 0.02 0.00 0.43 0.00 0.00 52.55 53.95 3k1k s ASP 21 Cb 0.06 1.78 0.01 0.00 -0.30 0.00 0.00 42.92 44.48 3k1k s ASP 21 CO 0.05 -0.27 -0.21 -0.69 -0.17 0.00 0.00 175.17 173.88 3k1k s VAL 22 N 2.74 2.04 -1.54 1.11 1.01 -0.12 0.35 120.40 126.00 3k1k s VAL 22 Ca 0.16 -0.95 -0.17 0.00 0.00 0.00 0.00 61.98 61.02 3k1k s VAL 22 Cb -0.15 -1.82 0.16 0.00 0.00 0.00 0.00 36.38 34.57 3k1k s VAL 22 CO -0.19 0.54 0.59 0.59 0.00 0.00 0.00 175.10 176.63 3k1k n ASN 23 N 4.33 -2.57 0.00 3.32 4.13 -0.18 -1.08 115.26 123.21 3k1k n ASN 23 Ca -0.20 -0.85 0.00 0.00 1.68 0.00 0.00 54.58 55.21 3k1k n ASN 23 Cb 0.51 -2.17 0.00 0.00 -1.54 0.00 0.00 39.78 36.58 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 -1.13 2.60 3.66 7.41 0.00 -1.26 -5.00 105.19 111.46 3k1k n GLY 24 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.17 3.17 0.06 1.61 3.76 -0.24 -5.03 115.29 116.45 3k1k s HIS 25 Ca 0.00 1.31 -0.03 0.00 -0.15 0.00 0.00 55.06 56.19 3k1k s HIS 25 Cb 0.00 -3.36 -0.05 0.00 1.11 0.00 0.00 32.58 30.28 3k1k s HIS 25 CO 0.00 -0.89 0.26 0.15 -0.85 0.00 0.00 174.74 173.41 3k1k s LYS 26 N 3.32 3.52 0.19 1.40 1.02 -1.26 -0.94 119.74 126.98 3k1k s LYS 26 Ca 0.48 -0.25 -0.19 0.00 0.02 0.00 0.00 55.97 56.02 3k1k s LYS 26 Cb -0.17 -3.01 0.04 0.00 -0.52 0.00 0.00 37.83 34.17 3k1k s LYS 26 CO 0.09 0.59 0.56 -0.59 -0.92 0.00 0.00 175.35 175.08 3k1k s PHE 27 N -1.47 -0.25 0.05 3.18 -0.71 -0.74 -4.97 117.98 113.07 3k1k s PHE 27 Ca 0.34 -0.07 0.03 0.00 -1.04 0.00 0.00 56.93 56.19 3k1k s PHE 27 Cb -0.13 0.47 -0.02 0.00 -1.21 0.00 0.00 43.02 42.13 3k1k s PHE 27 CO 0.23 -0.93 -0.09 -1.12 -1.34 0.00 0.00 175.22 171.97 3k1k s SER 28 N -2.84 1.07 -0.00 1.98 0.01 -1.26 -1.34 113.70 111.32 3k1k s SER 28 Ca 0.07 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 56.79 3k1k s SER 28 Cb -0.01 0.01 0.01 0.00 0.21 0.00 0.00 66.02 66.23 3k1k s SER 28 CO -0.05 -0.15 0.00 -0.69 0.41 0.00 0.00 173.24 172.76 3k1k s VAL 29 N -1.28 -0.00 -0.03 3.43 1.01 -0.88 -1.62 120.40 121.03 3k1k s VAL 29 Ca -0.07 0.04 0.06 0.00 0.00 0.00 0.00 61.98 62.01 3k1k s VAL 29 Cb -0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 36.38 36.24 3k1k s VAL 29 CO 0.01 0.02 -0.22 -0.44 0.00 0.00 0.00 175.10 174.47 3k1k s SER 30 N 0.20 2.63 0.06 3.32 0.01 -0.44 -1.13 113.70 118.35 3k1k s SER 30 Ca -0.02 -0.41 0.03 0.00 1.31 0.00 0.00 55.95 56.86 3k1k s SER 30 Cb -0.02 -0.42 -0.03 0.00 0.21 0.00 0.00 66.02 65.76 3k1k s SER 30 CO -0.01 0.25 -0.09 -0.83 0.41 0.00 0.00 173.24 172.98 3k1k s GLY 31 N -0.40 0.65 0.01 3.44 0.00 0.13 -0.72 107.32 110.42 3k1k s GLY 31 Ca 0.05 -0.96 -0.07 0.00 0.00 0.00 0.00 44.72 43.75 3k1k s GLY 31 CO 0.00 -1.02 0.13 -1.83 0.00 0.00 0.00 173.10 170.38 3k1k s GLU 32 N -2.17 0.48 0.00 2.90 -1.05 -0.65 -0.19 118.70 118.01 3k1k s GLU 32 Ca -0.03 -0.42 0.00 0.00 -0.15 0.00 0.00 54.97 54.37 3k1k s GLU 32 Cb -0.06 0.20 0.00 0.00 -0.44 0.00 0.00 34.13 33.82 3k1k s GLU 32 CO -0.00 -0.11 0.00 0.41 0.95 0.00 0.00 175.26 176.50 3k1k n GLY 33 N 1.44 -0.96 3.35 -3.83 0.00 -0.86 -1.53 105.19 102.80 3k1k n GLY 33 Ca -0.23 -0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.11 0.94 0.08 1.61 -1.05 -0.76 -0.49 118.70 118.92 3k1k s GLU 34 Ca 0.00 -0.28 0.06 0.00 -0.15 0.00 0.00 54.97 54.60 3k1k s GLU 34 Cb 0.00 0.43 -0.03 0.00 -0.44 0.00 0.00 34.13 34.09 3k1k s GLU 34 CO 0.00 -0.32 -0.17 0.20 0.95 0.00 0.00 175.26 175.92 3k1k s GLY 35 N -1.91 1.01 -0.34 -3.83 0.00 0.13 -2.12 107.32 100.26 3k1k s GLY 35 Ca -0.06 -1.08 -0.01 0.00 0.00 0.00 0.00 44.72 43.57 3k1k s GLY 35 CO -0.01 -1.09 0.19 -0.35 0.00 0.00 0.00 173.10 171.84 3k1k s ASP 36 N -1.72 3.15 0.36 1.64 -1.08 -0.32 -0.54 116.67 118.17 3k1k s ASP 36 Ca 0.02 -1.94 0.27 0.00 -0.52 0.00 0.00 52.55 50.38 3k1k s ASP 36 Cb -0.10 -0.41 1.19 0.00 -1.46 0.00 0.00 42.92 42.15 3k1k s ASP 36 CO 0.03 -0.35 1.81 0.00 0.52 0.00 0.00 175.17 177.18 3k1k h ALA 37 N 7.41 1.00 -0.72 3.66 0.00 -1.73 -1.99 119.26 126.88 3k1k h ALA 37 Ca -0.02 0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.00 3k1k h ALA 37 Cb 0.98 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.69 3k1k h ALA 37 CO 0.32 0.00 0.35 1.15 0.00 0.00 0.00 179.25 181.06 3k1k h THR 38 N 0.00 0.81 -0.03 0.00 2.02 -1.88 -2.51 112.91 111.32 3k1k h THR 38 Ca 0.00 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.98 3k1k h THR 38 Cb 0.32 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 3k1k h THR 38 CO 0.00 0.10 -0.10 -1.22 0.37 0.00 0.00 175.52 174.68 3k1k n TYR 39 N -4.89 0.00 -2.41 3.16 4.01 -0.86 -4.89 117.16 111.28 3k1k n TYR 39 Ca 0.12 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.66 3k1k n TYR 39 Cb 0.30 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.32 3k1k n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3k1k n GLY 40 N 1.36 -0.43 3.65 2.72 0.00 -0.82 -4.71 105.19 106.94 3k1k n GLY 40 Ca 0.13 -0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 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 -5.01 3.11 -0.02 1.61 2.20 -0.81 -0.60 119.74 120.23 3k1k s LYS 41 Ca 0.02 -0.43 0.01 0.00 -0.36 0.00 0.00 55.97 55.21 3k1k s LYS 41 Cb -0.01 -2.82 0.01 0.00 -1.51 0.00 0.00 37.83 33.51 3k1k s LYS 41 CO 0.02 0.61 -0.02 -0.51 -0.36 0.00 0.00 175.35 175.09 3k1k s LEU 42 N -0.64 1.63 -0.17 5.43 1.43 -0.11 -1.17 118.68 125.08 3k1k s LEU 42 Ca 0.10 -0.05 -0.01 0.00 -1.03 0.00 0.00 54.13 53.14 3k1k s LEU 42 Cb -0.12 -0.22 0.04 0.00 0.03 0.00 0.00 46.19 45.93 3k1k s LEU 42 CO 0.02 -0.02 -0.05 -0.89 0.23 0.00 0.00 176.35 175.65 3k1k s THR 43 N 0.42 1.07 0.04 5.49 2.01 -0.90 -0.68 115.64 123.09 3k1k s THR 43 Ca -0.04 -0.63 0.03 0.00 0.31 0.00 0.00 61.69 61.36 3k1k s THR 43 Cb -0.07 -1.27 -0.02 0.00 0.01 0.00 0.00 72.50 71.15 3k1k s THR 43 CO -0.01 0.10 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.18 3k1k s LEU 44 N 1.65 2.20 -0.08 4.42 1.43 -0.22 -1.82 118.68 126.26 3k1k s LEU 44 Ca 0.00 -0.45 0.02 0.00 -1.03 0.00 0.00 54.13 52.67 3k1k s LEU 44 Cb -0.15 -0.28 0.01 0.00 0.03 0.00 0.00 46.19 45.80 3k1k s LEU 44 CO -0.08 -0.11 -0.14 -0.75 0.23 0.00 0.00 176.35 175.50 3k1k s LYS 45 N -1.25 1.98 0.13 1.70 2.20 -0.59 0.20 119.74 124.11 3k1k s LYS 45 Ca -0.05 -0.50 0.08 0.00 -0.36 0.00 0.00 55.97 55.13 3k1k s LYS 45 Cb -0.08 -1.61 -0.04 0.00 -1.51 0.00 0.00 37.83 34.59 3k1k s LYS 45 CO 0.01 0.04 -0.11 -0.06 -0.36 0.00 0.00 175.35 174.86 3k1k s PHE 46 N 0.65 2.67 -0.03 4.03 0.40 -1.26 -1.64 117.98 122.80 3k1k s PHE 46 Ca -0.14 -0.20 0.00 0.00 -0.60 0.00 0.00 56.93 55.99 3k1k s PHE 46 Cb -0.16 -1.37 0.03 0.00 0.51 0.00 0.00 43.02 42.02 3k1k s PHE 46 CO 0.04 0.44 0.02 0.42 0.70 0.00 0.00 175.22 176.84 3k1k s ILE 47 N -1.34 0.06 -0.60 0.64 1.01 0.10 -4.34 121.20 116.73 3k1k s ILE 47 Ca 0.22 0.17 -0.28 0.00 0.00 0.00 0.00 60.65 60.76 3k1k s ILE 47 Cb -0.10 -0.19 0.02 0.00 0.01 0.00 0.00 42.46 42.20 3k1k s ILE 47 CO 0.13 0.13 1.32 0.00 0.00 0.00 0.00 174.94 176.52 3k1k n THR 49 N 6.72 0.01 -0.76 0.00 -2.24 -0.64 -3.35 114.28 114.01 3k1k n THR 49 Ca 0.10 -0.03 0.07 0.00 -2.27 0.00 0.00 64.05 61.92 3k1k n THR 49 Cb 0.49 -0.32 0.10 0.00 -2.10 0.00 0.00 70.33 68.51 3k1k n THR 49 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 3k1k n THR 50 N -0.78 1.64 0.00 4.28 5.66 -1.25 -4.97 114.28 118.86 3k1k n THR 50 Ca 0.19 -1.90 0.00 0.00 -3.05 0.00 0.00 64.05 59.29 3k1k n THR 50 Cb 0.12 -0.03 0.00 0.00 -1.55 0.00 0.00 70.33 68.87 3k1k n THR 50 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3k1k n GLY 51 N -1.15 0.48 3.80 1.09 0.00 -1.21 -4.92 105.19 103.26 3k1k n GLY 51 Ca 0.12 -1.49 -0.38 0.00 0.00 0.00 0.00 46.02 44.26 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 4.36 0.02 1.61 2.20 -1.26 -4.44 119.74 122.23 3k1k s LYS 52 Ca 0.00 0.93 -0.30 0.00 -0.36 0.00 0.00 55.97 56.24 3k1k s LYS 52 Cb 0.00 -3.17 -0.05 0.00 -1.51 0.00 0.00 37.83 33.10 3k1k s LYS 52 CO 0.00 0.56 1.26 -1.17 -0.36 0.00 0.00 175.35 175.64 3k1k s LEU 53 N -1.31 4.33 0.52 5.43 2.96 -1.26 -4.92 118.68 124.44 3k1k s LEU 53 Ca 0.35 2.00 0.28 0.00 -0.22 0.00 0.00 54.13 56.54 3k1k s LEU 53 Cb -0.20 -3.57 1.43 0.00 0.50 0.00 0.00 46.19 44.35 3k1k s LEU 53 CO 0.22 -0.57 2.06 -0.65 -1.32 0.00 0.00 176.35 176.09 3k1k h PRO 54 N 7.22 0.00 -5.18 0.98 0.11 -1.96 -3.45 132.00 129.73 3k1k h PRO 54 Ca -0.39 0.00 -0.43 0.00 0.11 0.00 0.00 66.00 65.29 3k1k h PRO 54 Cb 1.19 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.16 3k1k h PRO 54 CO 0.86 0.12 -0.63 0.14 -0.21 0.00 0.00 178.00 178.28 3k1k s VAL 55 N -4.12 1.13 0.19 3.15 -7.23 -1.26 -4.80 120.40 107.46 3k1k s VAL 55 Ca -0.02 -2.02 -0.31 0.00 -1.81 0.00 0.00 61.98 57.82 3k1k s VAL 55 Cb 0.13 -2.61 -0.09 0.00 0.56 0.00 0.00 36.38 34.36 3k1k s VAL 55 CO 0.58 -0.12 1.44 -2.84 -0.31 0.00 0.00 175.10 173.84 3k1k s PRO 56 N -3.88 4.29 0.33 4.82 0.02 -1.26 -4.91 135.00 134.40 3k1k s PRO 56 Ca 0.34 2.22 0.10 0.00 0.02 0.00 0.00 61.00 63.68 3k1k s PRO 56 Cb 0.07 -3.17 0.97 0.00 0.02 0.00 0.00 34.50 32.40 3k1k s PRO 56 CO 0.13 -0.44 1.64 -1.49 -0.33 0.00 0.00 177.00 176.50 3k1k h TRP 57 N 5.95 0.63 0.00 6.54 4.06 -1.97 -1.12 115.95 130.04 3k1k h TRP 57 Ca -0.44 0.05 -0.02 0.00 2.06 0.00 0.00 58.89 60.53 3k1k h TRP 57 Cb 1.21 -0.12 -0.00 0.00 -1.00 0.00 0.00 29.16 29.25 3k1k h TRP 57 CO 0.63 -0.26 -0.11 -1.35 -3.56 0.00 0.00 178.44 173.79 3k1k h PRO 58 N 0.21 0.00 0.00 0.49 0.11 -1.90 -2.31 132.00 128.59 3k1k h PRO 58 Ca 0.68 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.79 3k1k h PRO 58 Cb 1.54 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.65 3k1k h PRO 58 CO -0.68 0.11 0.00 1.79 -0.21 0.00 0.00 178.00 179.01 3k1k h THR 59 N 0.00 0.00 -0.11 -1.15 1.35 -1.58 -2.71 112.91 108.71 3k1k h THR 59 Ca -0.00 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.68 3k1k h THR 59 Cb 0.26 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 67.54 3k1k h THR 59 CO 0.01 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.46 3k1k n LEU 60 N -2.33 2.89 0.03 3.87 4.77 -0.87 -4.68 117.00 120.68 3k1k n LEU 60 Ca 0.01 -1.13 -0.12 0.00 -0.03 0.00 0.00 56.01 54.73 3k1k n LEU 60 Cb 0.17 -0.06 -0.08 0.00 -2.33 0.00 0.00 43.42 41.12 3k1k n LEU 60 CO 0.17 0.53 0.78 0.58 -1.33 0.00 0.00 177.39 178.12 3k1k h VAL 61 N 4.10 1.12 -0.71 4.08 2.07 -1.56 -1.75 116.25 123.60 3k1k h VAL 61 Ca 0.00 -0.42 0.05 0.00 0.82 0.00 0.00 66.70 67.15 3k1k h VAL 61 Cb 0.89 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 32.01 3k1k h VAL 61 CO 0.00 0.11 0.47 0.71 0.02 0.00 0.00 177.57 178.87 3k1k h THR 62 N -0.21 1.06 -0.01 2.57 1.35 -1.83 -2.96 112.91 112.88 3k1k h THR 62 Ca -0.00 -0.27 -0.00 0.00 -0.55 0.00 0.00 66.41 65.58 3k1k h THR 62 Cb 0.20 0.20 -0.00 0.00 -1.73 0.00 0.00 68.15 66.81 3k1k h THR 62 CO 0.00 0.14 -0.00 0.74 -0.25 0.00 0.00 175.52 176.16 3k1k h THR 63 N 0.79 1.27 0.00 6.82 2.02 -1.78 -3.45 112.91 118.59 3k1k h THR 63 Ca 0.29 -0.80 -0.21 0.00 0.77 0.00 0.00 66.41 66.46 3k1k h THR 63 Cb 0.16 1.79 0.05 0.00 -1.74 0.00 0.00 68.15 68.42 3k1k h THR 63 CO -0.09 0.21 1.14 0.49 0.37 0.00 0.00 175.52 177.64 3k1k n PHE 64 N -4.91 0.01 0.00 3.16 3.72 -0.69 -5.03 117.46 113.72 3k1k n PHE 64 Ca -0.08 -0.51 0.00 0.00 -0.05 0.00 0.00 57.45 56.81 3k1k n PHE 64 Cb 0.19 -0.66 0.00 0.00 -0.94 0.00 0.00 39.48 38.06 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 5.71 0.00 0.59 -4.37 0.24 -1.26 -5.02 118.33 114.21 3k1k n VAL 68 Ca 0.17 0.00 0.06 0.00 -2.04 0.00 0.00 64.34 62.53 3k1k n VAL 68 Cb 0.15 0.00 0.30 0.00 -1.47 0.00 0.00 33.84 32.82 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 0.22 0.19 7.34 6.02 -1.26 -1.75 117.38 128.14 3k1k n GLN 69 Ca 0.00 0.12 0.14 0.00 -0.01 0.00 0.00 57.00 57.25 3k1k n GLN 69 Cb 0.00 -1.50 0.64 0.00 1.02 0.00 0.00 30.24 30.40 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 -2.45 0.46 -1.96 0.00 3.72 -0.72 -4.71 117.46 111.80 3k1k n PHE 71 Ca -0.00 -0.23 -0.41 0.00 -0.05 0.00 0.00 57.45 56.76 3k1k n PHE 71 Cb 0.14 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.67 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 -1.23 6.56 -0.49 4.37 0.01 -0.89 -4.11 113.70 117.92 3k1k s SER 72 Ca 0.31 2.84 -0.29 0.00 1.31 0.00 0.00 55.95 60.12 3k1k s SER 72 Cb 0.17 -2.65 0.02 0.00 0.21 0.00 0.00 66.02 63.77 3k1k s SER 72 CO 0.23 -0.72 1.28 -0.60 0.41 0.00 0.00 173.24 173.84 3k1k s ARG 73 N -1.52 3.57 -0.19 12.44 3.52 -0.49 -4.81 118.95 131.48 3k1k s ARG 73 Ca 0.53 0.61 -0.19 0.00 -0.13 0.00 0.00 55.73 56.55 3k1k s ARG 73 Cb -0.43 -4.00 -0.03 0.00 -1.56 0.00 0.00 34.95 28.93 3k1k s ARG 73 CO 0.54 -1.58 0.55 0.71 -0.81 0.00 0.00 175.30 174.71 3k1k s TYR 74 N 5.11 3.39 0.62 5.12 1.51 -1.26 -0.32 117.35 131.52 3k1k s TYR 74 Ca 0.52 0.85 -0.17 0.00 -1.01 0.00 0.00 57.07 57.25 3k1k s TYR 74 Cb -0.10 -2.70 -0.02 0.00 -0.11 0.00 0.00 41.96 39.03 3k1k s TYR 74 CO 0.30 -0.09 1.15 -2.14 -1.11 0.00 0.00 175.55 173.67 3k1k s PRO 75 N 1.58 2.93 0.17 -1.71 0.02 -1.26 -4.71 135.00 132.01 3k1k s PRO 75 Ca 0.26 1.62 -0.10 0.00 0.02 0.00 0.00 61.00 62.80 3k1k s PRO 75 Cb -0.16 -1.95 0.21 0.00 0.02 0.00 0.00 34.50 32.62 3k1k s PRO 75 CO 0.10 -1.19 1.05 -0.25 -0.33 0.00 0.00 177.00 176.39 3k1k n ASP 76 N -1.90 -0.38 -1.58 2.53 10.43 -1.26 -2.24 116.55 122.14 3k1k n ASP 76 Ca 0.12 1.18 0.00 0.00 2.57 0.00 0.00 54.79 58.66 3k1k n ASP 76 Cb 0.51 -0.29 0.00 0.00 1.84 0.00 0.00 41.12 43.17 3k1k n ASP 76 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3k1k n HIS 77 N -5.03 0.00 0.00 1.24 1.44 -1.26 -4.71 115.22 106.90 3k1k n HIS 77 Ca 0.08 -0.70 0.00 0.00 -2.01 0.00 0.00 57.72 55.09 3k1k n HIS 77 Cb 0.29 -0.41 0.00 0.00 0.12 0.00 0.00 29.99 29.99 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 1.55 0.00 0.00 -1.40 4.76 -0.95 -4.97 118.16 117.14 3k1k n LYS 79 Ca 0.00 0.00 0.11 0.00 -2.87 0.00 0.00 58.31 55.55 3k1k n LYS 79 Cb 0.36 0.00 0.61 0.00 -1.84 0.00 0.00 35.03 34.16 3k1k n LYS 79 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 3k1k n ARG 80 N 0.00 0.48 -0.05 1.97 1.85 -1.26 -2.83 116.66 116.82 3k1k n ARG 80 Ca 0.00 0.05 0.08 0.00 -1.00 0.00 0.00 57.85 56.97 3k1k n ARG 80 Cb 0.00 -1.50 0.09 0.00 -1.05 0.00 0.00 32.46 30.00 3k1k n ARG 80 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 3k1k n HIS 81 N -1.17 0.12 -2.70 2.89 8.25 -1.26 -4.67 115.22 116.68 3k1k n HIS 81 Ca 0.13 -0.09 -0.43 0.00 -0.26 0.00 0.00 57.72 57.06 3k1k n HIS 81 Cb 0.14 -0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.24 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 -1.21 6.91 0.25 0.41 -1.08 -1.13 -4.42 116.67 116.39 3k1k s ASP 82 Ca 0.20 -2.60 -0.04 0.00 -0.52 0.00 0.00 52.55 49.59 3k1k s ASP 82 Cb 0.13 -2.52 0.42 0.00 -1.46 0.00 0.00 42.92 39.49 3k1k s ASP 82 CO 0.19 -1.04 1.80 0.15 0.52 0.00 0.00 175.17 176.79 3k1k h PHE 83 N 7.49 0.82 -0.18 -5.34 3.57 -1.89 -3.06 116.94 118.36 3k1k h PHE 83 Ca 0.40 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.96 3k1k h PHE 83 Cb 0.87 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.34 3k1k h PHE 83 CO 1.32 0.31 -0.02 0.74 -2.23 0.00 0.00 178.31 178.43 3k1k h PHE 84 N 0.74 -0.05 -0.11 0.41 0.04 -1.89 -2.48 116.94 113.61 3k1k h PHE 84 Ca 0.40 0.01 -0.19 0.00 2.80 0.00 0.00 57.97 61.00 3k1k h PHE 84 Cb 0.41 0.05 -0.00 0.00 2.20 0.00 0.00 35.95 38.61 3k1k h PHE 84 CO -0.07 -0.05 -0.71 0.87 -0.60 0.00 0.00 178.31 177.75 3k1k h LYS 85 N 0.03 0.51 0.00 1.51 1.57 -1.84 -3.21 116.57 115.14 3k1k h LYS 85 Ca 0.08 -0.40 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 3k1k h LYS 85 Cb 0.12 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.51 3k1k h LYS 85 CO -0.16 1.03 0.00 -1.13 -0.57 0.00 0.00 179.45 178.61 3k1k n SER 86 N -3.88 0.52 -2.98 0.86 3.41 -0.96 -3.84 113.62 106.75 3k1k n SER 86 Ca -0.05 0.66 -0.33 0.00 -0.26 0.00 0.00 58.87 58.89 3k1k n SER 86 Cb 0.70 -0.76 -0.04 0.00 -0.26 0.00 0.00 64.21 63.85 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 -1.72 6.67 0.08 7.33 0.00 -1.06 -4.57 120.51 127.23 3k1k n ALA 87 Ca 0.01 -3.51 0.03 0.00 0.00 0.00 0.00 53.44 49.97 3k1k n ALA 87 Cb 0.16 -2.50 0.16 0.00 0.00 0.00 0.00 19.45 17.26 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 1.46 0.04 -0.01 0.00 -0.05 -1.26 0.66 135.00 135.84 3k1k n PRO 89 Ca 0.56 0.41 -0.01 0.00 -0.05 0.00 0.00 63.50 64.41 3k1k n PRO 89 Cb 0.41 -1.91 0.26 0.00 -0.05 0.00 0.00 33.50 32.20 3k1k n PRO 89 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 175.50 176.38 3k1k h GLU 90 N 0.00 0.54 0.00 0.54 5.08 -1.93 -2.96 114.58 115.85 3k1k h GLU 90 Ca 0.00 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 3k1k h GLU 90 Cb 0.57 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.75 3k1k h GLU 90 CO 0.00 0.61 0.00 0.41 -1.00 0.00 0.00 179.01 179.03 3k1k n GLY 91 N -0.74 -2.02 3.20 -3.84 0.00 0.21 -4.58 105.19 97.43 3k1k n GLY 91 Ca 0.01 -1.93 -0.09 0.00 0.00 0.00 0.00 46.02 44.01 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 -0.12 0.53 -0.17 1.61 -0.85 -0.33 -0.81 117.35 117.22 3k1k s TYR 92 Ca 0.00 -0.95 -0.10 0.00 -0.52 0.00 0.00 57.07 55.50 3k1k s TYR 92 Cb 0.00 -0.26 -0.05 0.00 0.38 0.00 0.00 41.96 42.03 3k1k s TYR 92 CO 0.00 -0.56 0.18 0.08 -1.52 0.00 0.00 175.55 173.73 3k1k s VAL 93 N -3.97 5.40 -0.17 -3.49 1.01 0.63 -1.17 120.40 118.64 3k1k s VAL 93 Ca 0.15 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.43 3k1k s VAL 93 Cb 0.06 -3.50 0.01 0.00 0.00 0.00 0.00 36.38 32.95 3k1k s VAL 93 CO -0.03 0.48 -0.17 -1.58 0.00 0.00 0.00 175.10 173.80 3k1k s GLN 94 N -0.00 3.11 0.03 2.72 0.74 0.69 -1.48 119.66 125.47 3k1k s GLN 94 Ca 0.12 -0.78 0.08 0.00 0.05 0.00 0.00 55.36 54.82 3k1k s GLN 94 Cb -0.12 -2.63 -0.02 0.00 1.10 0.00 0.00 33.01 31.34 3k1k s GLN 94 CO 0.01 -0.12 -0.22 -1.21 -0.55 0.00 0.00 175.29 173.20 3k1k s GLU 95 N 1.11 1.57 0.01 1.67 2.02 -0.15 -0.81 118.70 124.12 3k1k s GLU 95 Ca 0.00 -0.95 -0.03 0.00 0.02 0.00 0.00 54.97 54.01 3k1k s GLU 95 Cb -0.14 -1.66 -0.01 0.00 0.10 0.00 0.00 34.13 32.42 3k1k s GLU 95 CO -0.06 0.43 0.05 1.03 0.02 0.00 0.00 175.26 176.73 3k1k s ARG 96 N -1.05 0.36 -0.21 1.61 0.52 -0.82 -1.01 118.95 118.34 3k1k s ARG 96 Ca 0.09 -0.46 -0.07 0.00 -0.52 0.00 0.00 55.73 54.76 3k1k s ARG 96 Cb -0.09 0.14 -0.04 0.00 0.52 0.00 0.00 34.95 35.48 3k1k s ARG 96 CO 0.01 -0.07 0.07 0.99 0.02 0.00 0.00 175.30 176.32 3k1k s THR 97 N -1.29 4.61 -0.29 0.02 2.01 -0.42 -1.22 115.64 119.06 3k1k s THR 97 Ca -0.14 -0.09 -0.01 0.00 0.31 0.00 0.00 61.69 61.76 3k1k s THR 97 Cb -0.08 -3.11 0.05 0.00 0.01 0.00 0.00 72.50 69.37 3k1k s THR 97 CO 0.00 0.40 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.69 3k1k s ILE 98 N 0.94 2.90 -0.28 1.82 1.01 0.81 -0.98 121.20 127.43 3k1k s ILE 98 Ca 0.04 -1.38 -0.09 0.00 0.00 0.00 0.00 60.65 59.21 3k1k s ILE 98 Cb -0.14 -2.66 -0.03 0.00 0.01 0.00 0.00 42.46 39.64 3k1k s ILE 98 CO 0.03 -0.08 0.14 -0.94 0.00 0.00 0.00 174.94 174.09 3k1k s SER 99 N 1.24 5.56 -0.13 3.58 1.04 0.10 -0.14 113.70 124.96 3k1k s SER 99 Ca -0.05 -0.25 -0.25 0.00 0.48 0.00 0.00 55.95 55.88 3k1k s SER 99 Cb -0.20 -2.01 -0.02 0.00 0.10 0.00 0.00 66.02 63.89 3k1k s SER 99 CO -0.02 -0.10 0.78 -0.36 0.98 0.00 0.00 173.24 174.53 3k1k s PHE 100 N 1.66 3.48 0.21 5.02 0.40 -0.22 -0.63 117.98 127.91 3k1k s PHE 100 Ca 0.06 1.26 -0.32 0.00 -0.60 0.00 0.00 56.93 57.33 3k1k s PHE 100 Cb -0.16 -2.94 -0.13 0.00 0.51 0.00 0.00 43.02 40.30 3k1k s PHE 100 CO 0.07 -0.11 1.57 1.17 0.70 0.00 0.00 175.22 178.61 3k1k n LYS 101 N 4.66 2.32 -2.08 0.44 3.00 -0.25 -1.52 118.16 124.72 3k1k n LYS 101 Ca 0.02 0.83 -0.19 0.00 -0.00 0.00 0.00 58.31 58.97 3k1k n LYS 101 Cb 0.50 -2.59 -0.04 0.00 0.00 0.00 0.00 35.03 32.90 3k1k n LYS 101 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3k1k n ASP 102 N 3.04 -5.36 0.00 3.14 10.43 -1.26 -4.88 116.55 121.66 3k1k n ASP 102 Ca 0.14 0.20 0.00 0.00 2.57 0.00 0.00 54.79 57.70 3k1k n ASP 102 Cb 0.32 -4.58 0.00 0.00 1.84 0.00 0.00 41.12 38.70 3k1k n ASP 102 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 3k1k n ASP 103 N -1.67 0.00 -2.26 -2.24 -0.08 -0.58 -4.95 116.55 104.77 3k1k n ASP 103 Ca -0.21 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.07 3k1k n ASP 103 Cb 0.66 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.12 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 -1.75 3.06 0.27 0.00 -1.15 -4.60 105.19 101.02 3k1k n GLY 104 Ca 0.00 -1.56 -0.09 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.24 0.57 -0.03 1.61 4.22 -0.85 -1.05 114.94 118.17 3k1k s ASN 105 Ca 0.00 -0.73 -0.00 0.00 -2.14 0.00 0.00 52.86 49.99 3k1k s ASN 105 Cb 0.00 0.11 -0.04 0.00 1.28 0.00 0.00 41.25 42.61 3k1k s ASN 105 CO 0.00 -0.39 0.04 -0.31 -2.04 0.00 0.00 177.10 174.39 3k1k s TYR 106 N -2.47 3.20 -0.06 1.54 2.02 0.81 -1.94 117.35 120.44 3k1k s TYR 106 Ca -0.04 0.18 0.05 0.00 -0.37 0.00 0.00 57.07 56.89 3k1k s TYR 106 Cb -0.03 -1.74 -0.01 0.00 -0.40 0.00 0.00 41.96 39.79 3k1k s TYR 106 CO -0.04 0.51 -0.23 0.15 -1.57 0.00 0.00 175.55 174.37 3k1k s LYS 107 N -1.42 2.35 0.06 -0.62 1.02 -0.09 -0.13 119.74 120.91 3k1k s LYS 107 Ca 0.19 -0.82 0.03 0.00 0.02 0.00 0.00 55.97 55.39 3k1k s LYS 107 Cb -0.12 -1.99 -0.03 0.00 -0.52 0.00 0.00 37.83 35.17 3k1k s LYS 107 CO 0.09 0.33 -0.08 0.95 -0.92 0.00 0.00 175.35 175.72 3k1k s THR 108 N -0.07 0.68 -0.09 2.17 -4.23 -0.36 -1.00 115.64 112.74 3k1k s THR 108 Ca -0.05 -1.37 -0.05 0.00 -1.18 0.00 0.00 61.69 59.05 3k1k s THR 108 Cb -0.13 -0.99 0.04 0.00 1.34 0.00 0.00 72.50 72.75 3k1k s THR 108 CO 0.04 -0.50 0.22 -0.60 -0.54 0.00 0.00 174.62 173.23 3k1k s ARG 109 N -2.27 0.18 0.01 3.99 3.52 -0.02 -1.95 118.95 122.42 3k1k s ARG 109 Ca -0.02 0.47 -0.07 0.00 -0.13 0.00 0.00 55.73 55.98 3k1k s ARG 109 Cb -0.06 -0.12 -0.00 0.00 -1.56 0.00 0.00 34.95 33.21 3k1k s ARG 109 CO -0.01 -0.16 0.14 0.00 -0.81 0.00 0.00 175.30 174.47 3k1k s ALA 110 N 1.16 -0.30 -0.09 6.12 0.00 0.01 -0.32 121.76 128.34 3k1k s ALA 110 Ca -0.09 -0.22 0.03 0.00 0.00 0.00 0.00 51.96 51.68 3k1k s ALA 110 Cb -0.10 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.16 3k1k s ALA 110 CO -0.07 -0.25 -0.18 -1.21 0.00 0.00 0.00 175.76 174.05 3k1k s GLU 111 N -1.75 2.98 -0.17 0.00 2.02 -0.35 -0.22 118.70 121.20 3k1k s GLU 111 Ca -0.12 -0.77 0.01 0.00 0.02 0.00 0.00 54.97 54.11 3k1k s GLU 111 Cb -0.06 -2.42 0.02 0.00 0.10 0.00 0.00 34.13 31.77 3k1k s GLU 111 CO -0.00 0.33 -0.18 0.08 0.02 0.00 0.00 175.26 175.51 3k1k s VAL 112 N 0.02 1.89 0.09 2.63 1.01 -0.32 -1.32 120.40 124.41 3k1k s VAL 112 Ca -0.06 -0.86 -0.26 0.00 0.00 0.00 0.00 61.98 60.80 3k1k s VAL 112 Cb -0.15 -1.74 0.08 0.00 0.00 0.00 0.00 36.38 34.57 3k1k s VAL 112 CO 0.05 0.49 0.82 -1.59 0.00 0.00 0.00 175.10 174.87 3k1k s LYS 113 N 1.35 1.08 0.30 2.72 -2.85 -0.72 -1.19 119.74 120.43 3k1k s LYS 113 Ca 0.04 -0.47 -0.29 0.00 -1.00 0.00 0.00 55.97 54.26 3k1k s LYS 113 Cb -0.13 0.45 -0.09 0.00 -2.06 0.00 0.00 37.83 36.00 3k1k s LYS 113 CO -0.12 -0.48 1.08 -0.06 0.10 0.00 0.00 175.35 175.87 3k1k s PHE 114 N -3.36 3.55 -0.29 1.78 0.40 -1.12 -0.89 117.98 118.06 3k1k s PHE 114 Ca 0.06 1.71 0.00 0.00 -0.60 0.00 0.00 56.93 58.10 3k1k s PHE 114 Cb -0.01 -3.24 0.09 0.00 0.51 0.00 0.00 43.02 40.37 3k1k s PHE 114 CO -0.06 -0.49 0.05 -1.21 0.70 0.00 0.00 175.22 174.21 3k1k s GLU 115 N -1.61 1.01 7.87 0.44 2.02 0.14 -4.91 118.70 123.66 3k1k s GLU 115 Ca 0.47 -1.11 0.00 0.00 0.02 0.00 0.00 54.97 54.34 3k1k s GLU 115 Cb -0.30 -2.33 0.00 0.00 0.10 0.00 0.00 34.13 31.61 3k1k s GLU 115 CO 0.38 -0.86 0.00 0.41 0.02 0.00 0.00 175.26 175.21 3k1k n GLY 116 N 4.74 3.46 1.01 -1.39 0.00 -1.26 -2.60 105.19 109.15 3k1k n GLY 116 Ca -0.04 -0.12 0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 5.51 2.93 -4.36 1.61 5.75 -1.26 -4.91 116.55 121.82 3k1k n ASP 117 Ca 0.00 -2.07 -0.31 0.00 -0.01 0.00 0.00 54.79 52.40 3k1k n ASP 117 Cb 0.00 -0.38 -0.15 0.00 -1.03 0.00 0.00 41.12 39.57 3k1k n ASP 117 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 3k1k s THR 118 N -1.41 2.29 -0.20 2.12 -1.32 -1.07 -4.38 115.64 111.67 3k1k s THR 118 Ca 0.35 -1.18 -0.25 0.00 -1.21 0.00 0.00 61.69 59.40 3k1k s THR 118 Cb 0.19 -1.86 -0.01 0.00 -1.51 0.00 0.00 72.50 69.31 3k1k s THR 118 CO 0.22 0.47 0.83 -0.22 -2.21 0.00 0.00 174.62 173.71 3k1k s LEU 119 N -0.96 4.14 -0.07 9.08 1.98 0.02 -0.69 118.68 132.19 3k1k s LEU 119 Ca 0.11 1.11 0.05 0.00 -2.89 0.00 0.00 54.13 52.52 3k1k s LEU 119 Cb -0.10 -3.21 -0.01 0.00 0.66 0.00 0.00 46.19 43.52 3k1k s LEU 119 CO 0.01 -0.45 -0.22 -0.69 -1.89 0.00 0.00 176.35 173.12 3k1k s VAL 120 N 2.43 2.34 -0.25 1.68 1.01 -0.07 -0.70 120.40 126.83 3k1k s VAL 120 Ca 0.37 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.41 3k1k s VAL 120 Cb -0.16 -1.88 0.06 0.00 0.00 0.00 0.00 36.38 34.40 3k1k s VAL 120 CO 0.10 0.57 -0.08 0.21 0.00 0.00 0.00 175.10 175.89 3k1k s ASN 121 N -0.19 4.26 -0.20 3.32 2.47 -0.05 -1.75 114.94 122.80 3k1k s ASN 121 Ca -0.02 -1.35 -0.03 0.00 0.42 0.00 0.00 52.86 51.88 3k1k s ASN 121 Cb -0.14 -1.42 -0.01 0.00 -1.45 0.00 0.00 41.25 38.23 3k1k s ASN 121 CO 0.03 -0.21 -0.08 -0.13 -3.72 0.00 0.00 177.10 173.00 3k1k s ARG 122 N 1.20 3.34 0.07 0.43 0.52 -0.43 -1.44 118.95 122.64 3k1k s ARG 122 Ca -0.07 -0.66 0.08 0.00 -0.52 0.00 0.00 55.73 54.57 3k1k s ARG 122 Cb -0.20 -2.89 -0.03 0.00 0.52 0.00 0.00 34.95 32.36 3k1k s ARG 122 CO -0.06 -0.11 -0.22 0.42 0.02 0.00 0.00 175.30 175.35 3k1k s ILE 123 N 1.22 1.80 -0.10 1.52 1.01 0.40 -1.21 121.20 125.84 3k1k s ILE 123 Ca 0.02 -1.40 0.04 0.00 0.00 0.00 0.00 60.65 59.32 3k1k s ILE 123 Cb -0.14 -1.59 -0.00 0.00 0.01 0.00 0.00 42.46 40.74 3k1k s ILE 123 CO -0.03 0.12 -0.24 -1.61 0.00 0.00 0.00 174.94 173.18 3k1k s GLU 124 N -1.54 2.99 -0.03 2.79 2.02 0.56 -1.61 118.70 123.88 3k1k s GLU 124 Ca 0.08 -0.88 0.04 0.00 0.02 0.00 0.00 54.97 54.24 3k1k s GLU 124 Cb -0.09 -2.29 -0.01 0.00 0.10 0.00 0.00 34.13 31.84 3k1k s GLU 124 CO 0.03 0.21 -0.16 -1.17 0.02 0.00 0.00 175.26 174.18 3k1k s LEU 125 N 0.28 1.94 -0.10 1.80 0.20 -0.13 -0.84 118.68 121.83 3k1k s LEU 125 Ca -0.17 -0.32 0.01 0.00 0.69 0.00 0.00 54.13 54.34 3k1k s LEU 125 Cb -0.17 -0.90 0.02 0.00 -0.43 0.00 0.00 46.19 44.71 3k1k s LEU 125 CO 0.08 0.16 -0.10 -0.75 -0.29 0.00 0.00 176.35 175.45 3k1k s LYS 126 N -0.09 1.71 -0.07 1.98 2.47 -0.17 -2.12 119.74 123.44 3k1k s LYS 126 Ca -0.00 -0.36 0.03 0.00 -1.56 0.00 0.00 55.97 54.08 3k1k s LYS 126 Cb -0.09 -1.60 -0.02 0.00 -1.46 0.00 0.00 37.83 34.65 3k1k s LYS 126 CO 0.01 -0.15 -0.14 0.20 0.16 0.00 0.00 175.35 175.43 3k1k s GLY 127 N 1.28 1.54 0.08 5.54 0.00 0.16 -0.91 107.32 115.00 3k1k s GLY 127 Ca -0.02 -0.96 -0.00 0.00 0.00 0.00 0.00 44.72 43.74 3k1k s GLY 127 CO -0.04 -0.64 -0.02 -0.26 0.00 0.00 0.00 173.10 172.14 3k1k s ILE 128 N -0.49 0.34 -0.66 0.90 -4.36 -0.82 -1.01 121.20 115.11 3k1k s ILE 128 Ca 0.06 -1.87 0.00 0.00 -0.26 0.00 0.00 60.65 58.59 3k1k s ILE 128 Cb -0.12 -1.67 0.00 0.00 1.25 0.00 0.00 42.46 41.92 3k1k s ILE 128 CO 0.02 -0.86 0.00 0.47 0.24 0.00 0.00 174.94 174.81 3k1k n ASP 129 N 0.02 -3.30 -4.69 4.36 8.00 -1.26 -2.01 116.55 117.67 3k1k n ASP 129 Ca -0.12 0.09 -0.41 0.00 0.71 0.00 0.00 54.79 55.06 3k1k n ASP 129 Cb 0.61 -1.91 -0.04 0.00 -0.02 0.00 0.00 41.12 39.76 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 -2.29 3.51 0.01 1.24 0.40 -1.26 -2.91 117.98 116.68 3k1k s PHE 130 Ca 0.00 1.37 -0.30 0.00 -0.60 0.00 0.00 56.93 57.40 3k1k s PHE 130 Cb 0.00 -3.01 -0.05 0.00 0.51 0.00 0.00 43.02 40.47 3k1k s PHE 130 CO 0.00 -0.13 1.36 0.15 0.70 0.00 0.00 175.22 177.30 3k1k s LYS 131 N 1.64 4.31 0.60 0.44 1.02 -1.26 -4.90 119.74 121.59 3k1k s LYS 131 Ca 0.42 1.92 0.31 0.00 0.02 0.00 0.00 55.97 58.64 3k1k s LYS 131 Cb -0.18 -3.52 1.83 0.00 -0.52 0.00 0.00 37.83 35.44 3k1k s LYS 131 CO 0.17 -0.52 2.21 0.93 -0.92 0.00 0.00 175.35 177.22 3k1k h GLU 132 N 7.59 0.00 -0.47 1.68 4.39 -1.95 0.83 114.58 126.65 3k1k h GLU 132 Ca -0.38 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.32 3k1k h GLU 132 Cb 1.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 3k1k h GLU 132 CO 0.89 0.00 0.00 -0.40 -1.16 0.00 0.00 179.01 178.34 3k1k n ASP 133 N -3.73 3.96 -3.76 1.42 5.75 -1.26 -4.01 116.55 114.93 3k1k n ASP 133 Ca -0.01 -2.42 -0.23 0.00 -0.01 0.00 0.00 54.79 52.12 3k1k n ASP 133 Cb 0.17 -0.46 0.15 0.00 -1.03 0.00 0.00 41.12 39.95 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 0.59 -0.82 0.21 6.12 0.00 0.28 -4.73 105.19 106.85 3k1k n GLY 134 Ca 0.20 -1.80 0.03 0.00 0.00 0.00 0.00 46.02 44.46 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 -1.18 0.06 0.00 1.61 2.35 -1.93 0.39 115.58 116.87 3k1k h ASN 135 Ca -0.34 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.40 3k1k h ASN 135 Cb 1.00 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.36 3k1k h ASN 135 CO 0.27 0.31 -0.02 0.40 -1.65 0.00 0.00 177.43 176.73 3k1k h ILE 136 N 0.06 0.00 0.00 2.81 5.03 -1.94 0.24 117.51 123.71 3k1k h ILE 136 Ca 0.01 -0.67 -0.02 0.00 -0.12 0.00 0.00 64.86 64.06 3k1k h ILE 136 Cb 0.46 0.00 -0.00 0.00 -3.03 0.00 0.00 36.82 34.25 3k1k h ILE 136 CO 0.03 0.00 -0.11 -0.07 -0.68 0.00 0.00 178.15 177.33 3k1k h LEU 137 N -0.67 0.00 0.00 1.44 3.38 -1.76 -2.11 115.31 115.59 3k1k h LEU 137 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3k1k h LEU 137 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3k1k h LEU 137 CO 0.00 0.11 0.00 0.61 0.09 0.00 0.00 178.44 179.25 3k1k n GLY 138 N 0.04 -1.06 3.86 0.83 0.00 0.14 -4.91 105.19 104.09 3k1k n GLY 138 Ca 0.00 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.20 -1.70 0.70 1.61 8.25 -0.79 -4.92 115.22 117.16 3k1k n HIS 139 Ca 0.15 0.45 0.09 0.00 -0.26 0.00 0.00 57.72 58.14 3k1k n HIS 139 Cb 0.17 -3.35 0.08 0.00 1.12 0.00 0.00 29.99 28.01 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 -4.44 1.43 -2.64 -0.41 5.02 0.06 -4.97 118.16 112.21 3k1k n LYS 140 Ca -0.16 -1.55 -0.39 0.00 -2.02 0.00 0.00 58.31 54.18 3k1k n LYS 140 Cb 0.61 -1.33 -0.05 0.00 -0.02 0.00 0.00 35.03 34.24 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 -1.43 4.53 0.59 -0.35 1.43 -1.25 -0.50 118.68 121.70 3k1k s LEU 141 Ca 0.21 2.05 -0.18 0.00 -1.03 0.00 0.00 54.13 55.18 3k1k s LEU 141 Cb 0.15 -3.72 -0.04 0.00 0.03 0.00 0.00 46.19 42.61 3k1k s LEU 141 CO 0.22 -0.03 1.14 -1.61 0.23 0.00 0.00 176.35 176.29 3k1k s GLU 142 N -1.50 3.11 -1.33 1.70 2.02 -0.34 -4.79 118.70 117.57 3k1k s GLU 142 Ca 0.45 1.59 -0.12 0.00 0.02 0.00 0.00 54.97 56.91 3k1k s GLU 142 Cb -0.27 -1.97 0.12 0.00 0.10 0.00 0.00 34.13 32.11 3k1k s GLU 142 CO 0.34 -1.04 1.94 0.98 0.02 0.00 0.00 175.26 177.50 3k1k n TYR 143 N -1.68 3.40 -3.93 1.61 9.36 -1.26 -4.85 117.16 119.80 3k1k n TYR 143 Ca 0.12 -2.90 -0.12 0.00 3.32 0.00 0.00 57.90 58.32 3k1k n TYR 143 Cb 0.51 -2.19 -0.00 0.00 -0.63 0.00 0.00 39.34 37.02 3k1k n TYR 143 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 3k1k s ASN 144 N 1.94 0.44 -0.10 2.98 2.20 -1.26 -4.83 114.94 116.31 3k1k s ASN 144 Ca 0.43 -1.31 -0.07 0.00 -0.94 0.00 0.00 52.86 50.97 3k1k s ASN 144 Cb 0.10 0.77 0.03 0.00 -2.00 0.00 0.00 41.25 40.15 3k1k s ASN 144 CO -0.02 -1.53 0.24 -0.47 -2.94 0.00 0.00 177.10 172.39 3k1k s TYR 145 N -2.60 -0.29 0.31 1.54 5.04 -1.26 -4.86 117.35 115.22 3k1k s TYR 145 Ca 0.22 0.71 -0.03 0.00 -2.44 0.00 0.00 57.07 55.53 3k1k s TYR 145 Cb -0.03 0.08 0.07 0.00 0.35 0.00 0.00 41.96 42.42 3k1k s TYR 145 CO 0.16 -0.17 0.42 0.09 -1.34 0.00 0.00 175.55 174.71 3k1k n ASN 146 N 3.46 0.27 -4.21 4.32 3.02 -1.26 -4.51 115.26 116.35 3k1k n ASN 146 Ca -0.18 -1.30 -0.31 0.00 -0.03 0.00 0.00 54.58 52.76 3k1k n ASN 146 Cb 0.56 -0.30 -0.17 0.00 -0.61 0.00 0.00 39.78 39.26 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 -2.62 3.00 0.26 6.41 0.01 -1.26 -4.02 113.70 115.47 3k1k s SER 147 Ca 0.26 -0.54 0.02 0.00 1.31 0.00 0.00 55.95 57.00 3k1k s SER 147 Cb -0.01 -1.35 -0.05 0.00 0.21 0.00 0.00 66.02 64.82 3k1k s SER 147 CO 0.18 0.15 0.07 -1.00 0.41 0.00 0.00 173.24 173.05 3k1k s HIS 148 N 0.34 1.59 -0.25 2.43 3.76 -0.80 -4.95 115.29 117.41 3k1k s HIS 148 Ca -0.18 -1.09 -0.08 0.00 -0.15 0.00 0.00 55.06 53.56 3k1k s HIS 148 Cb -0.18 -0.95 -0.03 0.00 1.11 0.00 0.00 32.58 32.54 3k1k s HIS 148 CO 0.08 -0.22 0.08 -0.80 -0.85 0.00 0.00 174.74 173.03 3k1k s ASN 149 N -3.33 5.22 -0.45 1.40 0.01 -1.26 -0.74 114.94 115.79 3k1k s ASN 149 Ca 0.35 -0.18 -0.20 0.00 -0.71 0.00 0.00 52.86 52.12 3k1k s ASN 149 Cb 0.08 -1.94 0.03 0.00 0.41 0.00 0.00 41.25 39.83 3k1k s ASN 149 CO 0.12 -0.03 0.59 -0.69 -1.51 0.00 0.00 177.10 175.59 3k1k s VAL 150 N 1.59 4.90 -0.32 1.60 1.01 0.12 -4.65 120.40 124.65 3k1k s VAL 150 Ca 0.06 -0.16 -0.23 0.00 0.00 0.00 0.00 61.98 61.66 3k1k s VAL 150 Cb -0.15 -4.20 -0.00 0.00 0.00 0.00 0.00 36.38 32.03 3k1k s VAL 150 CO 0.04 -0.62 0.75 -0.31 0.00 0.00 0.00 175.10 174.96 3k1k s TYR 151 N 2.62 3.19 -0.12 5.22 2.02 -1.02 -0.23 117.35 129.03 3k1k s TYR 151 Ca 0.18 0.71 -0.07 0.00 -0.37 0.00 0.00 57.07 57.52 3k1k s TYR 151 Cb -0.16 -3.19 -0.04 0.00 -0.40 0.00 0.00 41.96 38.17 3k1k s TYR 151 CO 0.16 -0.57 0.13 0.42 -1.57 0.00 0.00 175.55 174.12 3k1k s ILE 152 N 2.89 5.43 0.04 2.71 -1.09 0.41 -1.57 121.20 130.03 3k1k s ILE 152 Ca 0.30 0.18 0.01 0.00 -2.23 0.00 0.00 60.65 58.91 3k1k s ILE 152 Cb -0.14 -3.37 -0.03 0.00 -1.58 0.00 0.00 42.46 37.34 3k1k s ILE 152 CO 0.13 0.61 -0.05 0.28 -1.23 0.00 0.00 174.94 174.68 3k1k s THR 153 N -0.92 0.31 0.29 2.92 -1.32 0.54 -2.58 115.64 114.88 3k1k s THR 153 Ca 0.14 -1.28 -0.29 0.00 -1.21 0.00 0.00 61.69 59.06 3k1k s THR 153 Cb -0.12 -0.80 -0.09 0.00 -1.51 0.00 0.00 72.50 69.98 3k1k s THR 153 CO 0.03 -0.63 1.04 0.00 -2.21 0.00 0.00 174.62 172.86 3k1k s ALA 154 N -2.25 3.34 -0.64 11.08 0.00 -1.25 -0.20 121.76 131.84 3k1k s ALA 154 Ca -0.06 0.78 0.05 0.00 0.00 0.00 0.00 51.96 52.73 3k1k s ALA 154 Cb -0.04 -3.28 0.16 0.00 0.00 0.00 0.00 23.12 19.96 3k1k s ALA 154 CO -0.03 -0.06 0.42 0.34 0.00 0.00 0.00 175.76 176.44 3k1k s ASP 155 N -1.09 4.49 0.27 0.00 3.68 -0.37 -4.75 116.67 118.90 3k1k s ASP 155 Ca 0.46 -3.58 -0.03 0.00 2.13 0.00 0.00 52.55 51.53 3k1k s ASP 155 Cb -0.28 -1.55 0.39 0.00 -1.45 0.00 0.00 42.92 40.03 3k1k s ASP 155 CO 0.36 -0.13 1.90 0.50 0.13 0.00 0.00 175.17 177.93 3k1k h LYS 156 N 5.70 1.17 -0.94 4.34 3.11 -1.96 -1.13 116.57 126.87 3k1k h LYS 156 Ca 0.10 -0.07 0.17 0.00 -2.81 0.00 0.00 60.65 58.04 3k1k h LYS 156 Cb 0.80 -0.26 -0.08 0.00 -1.00 0.00 0.00 32.23 31.68 3k1k h LYS 156 CO 0.68 0.77 0.60 0.37 -2.81 0.00 0.00 179.45 179.07 3k1k h GLN 157 N 1.20 0.64 -0.47 1.90 4.15 -1.95 -1.94 115.11 118.63 3k1k h GLN 157 Ca 0.42 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.80 3k1k h GLN 157 Cb 0.10 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.65 3k1k h GLN 157 CO -0.15 0.42 0.00 1.63 -1.93 0.00 0.00 178.83 178.80 3k1k n LYS 158 N -4.61 2.54 -2.32 1.69 5.02 -0.48 -4.95 118.16 115.04 3k1k n LYS 158 Ca 0.20 -2.28 -0.17 0.00 -2.02 0.00 0.00 58.31 54.04 3k1k n LYS 158 Cb 0.56 -1.44 -0.02 0.00 -0.02 0.00 0.00 35.03 34.11 3k1k n LYS 158 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3k1k n ASN 159 N 1.22 -5.04 0.00 4.39 5.15 -0.73 -4.67 115.26 115.57 3k1k n ASN 159 Ca 0.18 0.11 0.00 0.00 -0.60 0.00 0.00 54.58 54.27 3k1k n ASN 159 Cb 0.54 -4.26 0.00 0.00 -0.53 0.00 0.00 39.78 35.53 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 -0.86 5.66 3.14 8.20 0.00 -1.00 -4.50 105.19 115.83 3k1k n GLY 160 Ca -0.20 -0.95 -0.09 0.00 0.00 0.00 0.00 46.02 44.78 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 2.16 0.15 0.14 -0.61 -4.36 -1.03 -1.24 121.20 116.40 3k1k s ILE 161 Ca 0.00 -1.80 0.10 0.00 -0.26 0.00 0.00 60.65 58.68 3k1k s ILE 161 Cb 0.00 -1.80 -0.04 0.00 1.25 0.00 0.00 42.46 41.87 3k1k s ILE 161 CO 0.00 -0.67 -0.22 -0.54 0.24 0.00 0.00 174.94 173.75 3k1k s LYS 162 N -3.99 1.29 0.06 0.37 1.02 0.72 -1.22 119.74 117.99 3k1k s LYS 162 Ca 0.16 -1.32 0.02 0.00 0.02 0.00 0.00 55.97 54.85 3k1k s LYS 162 Cb 0.07 -1.58 -0.03 0.00 -0.52 0.00 0.00 37.83 35.77 3k1k s LYS 162 CO -0.03 0.36 -0.08 0.00 -0.92 0.00 0.00 175.35 174.67 3k1k s ALA 163 N -1.40 0.73 -0.01 5.17 0.00 -0.23 -0.34 121.76 125.67 3k1k s ALA 163 Ca 0.13 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.17 3k1k s ALA 163 Cb -0.09 0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.10 3k1k s ALA 163 CO 0.06 -0.05 0.01 -0.80 0.00 0.00 0.00 175.76 174.98 3k1k s ASN 164 N -1.92 0.17 0.23 0.00 0.01 -0.61 -0.92 114.94 111.90 3k1k s ASN 164 Ca -0.04 0.00 -0.22 0.00 -0.71 0.00 0.00 52.86 51.88 3k1k s ASN 164 Cb -0.07 -0.08 0.04 0.00 0.41 0.00 0.00 41.25 41.55 3k1k s ASN 164 CO -0.00 -0.06 0.78 0.72 -1.51 0.00 0.00 177.10 177.02 3k1k s PHE 165 N 0.62 -0.20 -0.19 2.20 -0.71 -0.98 -2.43 117.98 116.28 3k1k s PHE 165 Ca -0.05 -0.19 0.00 0.00 -1.04 0.00 0.00 56.93 55.65 3k1k s PHE 165 Cb -0.08 0.68 0.02 0.00 -1.21 0.00 0.00 43.02 42.42 3k1k s PHE 165 CO -0.02 -1.08 -0.17 0.15 -1.34 0.00 0.00 175.22 172.76 3k1k s LYS 166 N -3.72 2.99 -0.09 1.99 1.02 -1.26 -0.73 119.74 119.94 3k1k s LYS 166 Ca 0.10 -0.84 -0.18 0.00 0.02 0.00 0.00 55.97 55.07 3k1k s LYS 166 Cb -0.04 -2.67 -0.04 0.00 -0.52 0.00 0.00 37.83 34.55 3k1k s LYS 166 CO 0.04 -0.24 0.49 0.42 -0.92 0.00 0.00 175.35 175.15 3k1k s ILE 167 N 1.31 5.13 -0.39 2.17 -1.09 -0.59 -4.88 121.20 122.86 3k1k s ILE 167 Ca 0.04 1.00 -0.13 0.00 -2.23 0.00 0.00 60.65 59.33 3k1k s ILE 167 Cb -0.14 -3.83 0.02 0.00 -1.58 0.00 0.00 42.46 36.93 3k1k s ILE 167 CO -0.11 0.36 0.26 -0.13 -1.23 0.00 0.00 174.94 174.09 3k1k s ARG 168 N 0.34 2.95 -0.27 2.79 0.52 -1.26 -0.87 118.95 123.16 3k1k s ARG 168 Ca 0.27 -1.02 -0.15 0.00 -0.52 0.00 0.00 55.73 54.32 3k1k s ARG 168 Cb -0.16 -3.87 -0.04 0.00 0.52 0.00 0.00 34.95 31.40 3k1k s ARG 168 CO 0.12 -0.71 0.36 -1.01 0.02 0.00 0.00 175.30 174.08 3k1k s HIS 169 N 1.63 3.25 0.05 -0.53 3.76 0.07 -4.45 115.29 119.07 3k1k s HIS 169 Ca 0.04 0.39 -0.31 0.00 -0.15 0.00 0.00 55.06 55.04 3k1k s HIS 169 Cb -0.19 -2.55 -0.07 0.00 1.11 0.00 0.00 32.58 30.88 3k1k s HIS 169 CO 0.09 -0.22 1.50 -0.80 -0.85 0.00 0.00 174.74 174.46 3k1k s ASN 170 N 1.63 6.74 -0.12 1.40 0.01 -1.26 -0.25 114.94 123.09 3k1k s ASN 170 Ca 0.14 2.30 -0.07 0.00 -0.71 0.00 0.00 52.86 54.52 3k1k s ASN 170 Cb -0.16 -2.57 -0.04 0.00 0.41 0.00 0.00 41.25 38.90 3k1k s ASN 170 CO 0.10 -0.78 0.13 -0.63 -1.51 0.00 0.00 177.10 174.41 3k1k s ILE 171 N 2.29 5.45 0.57 0.60 -1.09 -0.15 -1.20 121.20 127.67 3k1k s ILE 171 Ca 0.68 0.18 0.31 0.00 -2.23 0.00 0.00 60.65 59.59 3k1k s ILE 171 Cb -0.36 -3.37 0.44 0.00 -1.58 0.00 0.00 42.46 37.59 3k1k s ILE 171 CO 0.29 0.62 1.82 -0.33 -1.23 0.00 0.00 174.94 176.11 3k1k h GLU 172 N 4.98 0.00 -0.31 2.79 5.08 -1.09 0.12 114.58 126.15 3k1k h GLU 172 Ca -0.55 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.81 3k1k h GLU 172 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 3k1k h GLU 172 CO 0.58 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.19 3k1k n ASP 173 N -3.90 1.55 0.00 1.42 5.68 -1.26 -4.88 116.55 115.16 3k1k n ASP 173 Ca 0.15 -2.02 0.00 0.00 -0.50 0.00 0.00 54.79 52.43 3k1k n ASP 173 Cb 0.93 -0.21 0.00 0.00 -1.14 0.00 0.00 41.12 40.70 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 0.90 0.80 2.53 6.12 0.00 0.41 -5.06 105.19 110.89 3k1k n GLY 174 Ca 0.09 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.96 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 0.82 -3.89 1.61 3.41 -1.22 -4.87 113.62 109.48 3k1k n SER 175 Ca 0.00 -1.71 -0.21 0.00 -0.26 0.00 0.00 58.87 56.69 3k1k n SER 175 Cb 0.00 -0.44 -0.16 0.00 -0.26 0.00 0.00 64.21 63.34 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 -2.01 0.56 -0.38 -3.33 1.01 -1.26 -0.98 120.40 114.02 3k1k s VAL 176 Ca 0.44 -0.12 -0.12 0.00 0.00 0.00 0.00 61.98 62.18 3k1k s VAL 176 Cb -0.02 -0.60 0.02 0.00 0.00 0.00 0.00 36.38 35.78 3k1k s VAL 176 CO 0.29 0.24 0.22 -1.58 0.00 0.00 0.00 175.10 174.27 3k1k s GLN 177 N 1.05 2.90 0.29 2.72 2.00 0.65 -4.91 119.66 124.35 3k1k s GLN 177 Ca -0.09 -1.04 -0.29 0.00 -2.00 0.00 0.00 55.36 51.94 3k1k s GLN 177 Cb -0.14 -3.77 -0.10 0.00 0.80 0.00 0.00 33.01 29.80 3k1k s GLN 177 CO -0.01 -0.69 1.11 -0.51 -0.50 0.00 0.00 175.29 174.70 3k1k s LEU 178 N 1.58 4.54 -0.30 3.68 1.43 -1.26 -0.75 118.68 127.60 3k1k s LEU 178 Ca 0.03 2.29 0.01 0.00 -1.03 0.00 0.00 54.13 55.43 3k1k s LEU 178 Cb -0.19 -3.64 0.09 0.00 0.03 0.00 0.00 46.19 42.48 3k1k s LEU 178 CO 0.07 -0.17 0.03 0.00 0.23 0.00 0.00 176.35 176.51 3k1k s ALA 179 N -1.17 2.13 -0.01 4.21 0.00 -0.05 -1.10 121.76 125.78 3k1k s ALA 179 Ca 0.45 -1.87 -0.30 0.00 0.00 0.00 0.00 51.96 50.24 3k1k s ALA 179 Cb -0.32 -1.68 -0.04 0.00 0.00 0.00 0.00 23.12 21.08 3k1k s ALA 179 CO 0.41 -1.52 1.14 -0.51 0.00 0.00 0.00 175.76 175.28 3k1k s ASP 180 N 1.30 7.14 -0.21 0.00 1.01 0.20 -1.54 116.67 124.57 3k1k s ASP 180 Ca 0.05 1.84 -0.04 0.00 0.71 0.00 0.00 52.55 55.11 3k1k s ASP 180 Cb -0.18 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.16 3k1k s ASP 180 CO -0.13 -0.47 -0.02 -1.00 0.21 0.00 0.00 175.17 173.75 3k1k s HIS 181 N 1.55 2.99 -0.17 4.23 3.76 0.09 -0.72 115.29 127.01 3k1k s HIS 181 Ca 0.56 -0.72 0.00 0.00 -0.15 0.00 0.00 55.06 54.75 3k1k s HIS 181 Cb -0.25 -2.10 0.00 0.00 1.11 0.00 0.00 32.58 31.35 3k1k s HIS 181 CO 0.25 -0.41 -0.16 0.71 -0.85 0.00 0.00 174.74 174.28 3k1k s TYR 182 N 1.28 2.79 0.00 1.40 2.02 -0.15 -2.32 117.35 122.36 3k1k s TYR 182 Ca 0.04 -1.22 0.03 0.00 -0.37 0.00 0.00 57.07 55.54 3k1k s TYR 182 Cb -0.14 -1.92 -0.01 0.00 -0.40 0.00 0.00 41.96 39.49 3k1k s TYR 182 CO -0.00 -0.59 -0.10 -1.14 -1.57 0.00 0.00 175.55 172.15 3k1k s GLN 183 N 1.02 0.79 -0.03 -0.62 0.74 -0.10 -1.30 119.66 120.16 3k1k s GLN 183 Ca -0.01 -0.41 -0.00 0.00 0.05 0.00 0.00 55.36 54.98 3k1k s GLN 183 Cb -0.15 -0.76 0.03 0.00 1.10 0.00 0.00 33.01 33.23 3k1k s GLN 183 CO -0.04 0.20 0.01 -1.14 -0.55 0.00 0.00 175.29 173.77 3k1k s GLN 184 N -0.39 0.26 -0.05 1.67 2.00 -0.18 -1.07 119.66 121.90 3k1k s GLN 184 Ca 0.03 0.12 0.07 0.00 -2.00 0.00 0.00 55.36 53.57 3k1k s GLN 184 Cb -0.04 -0.51 -0.01 0.00 0.80 0.00 0.00 33.01 33.24 3k1k s GLN 184 CO -0.00 -0.17 -0.25 -0.80 -0.50 0.00 0.00 175.29 173.56 3k1k s ASN 185 N 1.22 3.06 -0.04 6.67 -0.87 -0.36 -0.98 114.94 123.64 3k1k s ASN 185 Ca -0.07 -0.50 0.02 0.00 -1.57 0.00 0.00 52.86 50.74 3k1k s ASN 185 Cb -0.13 -0.67 0.01 0.00 -0.02 0.00 0.00 41.25 40.44 3k1k s ASN 185 CO -0.02 0.27 -0.08 -0.89 -2.57 0.00 0.00 177.10 173.80 3k1k s THR 186 N -0.31 0.79 0.74 1.60 2.01 -0.55 -2.46 115.64 117.46 3k1k s THR 186 Ca 0.01 -0.31 -0.13 0.00 0.31 0.00 0.00 61.69 61.57 3k1k s THR 186 Cb -0.12 -0.73 0.05 0.00 0.01 0.00 0.00 72.50 71.70 3k1k s THR 186 CO 0.02 0.27 1.15 -2.84 -0.69 0.00 0.00 174.62 172.52 3k1k s PRO 187 N 0.55 2.20 -0.25 4.92 0.02 -1.26 -0.27 135.00 140.91 3k1k s PRO 187 Ca -0.09 1.51 -0.13 0.00 0.02 0.00 0.00 61.00 62.31 3k1k s PRO 187 Cb -0.12 -1.87 -0.15 0.00 0.02 0.00 0.00 34.50 32.38 3k1k s PRO 187 CO 0.01 -1.74 -0.16 -0.89 -0.33 0.00 0.00 177.00 173.89 3k1k n ILE 188 N -2.98 1.54 -0.67 2.83 5.41 0.01 -4.72 119.36 120.78 3k1k n ILE 188 Ca 0.11 -0.34 -0.28 0.00 1.00 0.00 0.00 62.75 63.24 3k1k n ILE 188 Cb 0.52 -1.85 0.24 0.00 -0.71 0.00 0.00 39.64 37.83 3k1k n ILE 188 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 3k1k s GLY 189 N -5.48 1.55 0.00 7.39 0.00 -1.26 -4.97 107.32 104.54 3k1k s GLY 189 Ca -0.35 -0.17 0.12 0.00 0.00 0.00 0.00 44.72 44.32 3k1k s GLY 189 CO 0.54 0.53 0.70 1.22 0.00 0.00 0.00 173.10 176.09 3k1k n ASP 190 N -4.78 1.31 -2.94 1.64 8.00 -1.26 -5.01 116.55 113.51 3k1k n ASP 190 Ca 0.03 -1.15 -0.07 0.00 0.71 0.00 0.00 54.79 54.31 3k1k n ASP 190 Cb 0.55 0.50 0.06 0.00 -0.02 0.00 0.00 41.12 42.22 3k1k n ASP 190 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3k1k n GLY 191 N 1.00 -3.32 3.77 0.44 0.00 -1.26 -4.96 105.19 100.85 3k1k n GLY 191 Ca 0.05 -1.32 -0.39 0.00 0.00 0.00 0.00 46.02 44.35 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 -3.51 4.24 0.09 1.61 0.02 -1.26 -5.07 135.00 131.13 3k1k s PRO 192 Ca 0.16 1.92 0.03 0.00 0.02 0.00 0.00 61.00 63.12 3k1k s PRO 192 Cb -0.02 -2.87 -0.04 0.00 0.02 0.00 0.00 34.50 31.59 3k1k s PRO 192 CO 0.13 -0.18 -0.09 0.14 -0.33 0.00 0.00 177.00 176.67 3k1k s VAL 193 N -1.30 0.86 -0.12 3.83 -7.23 -1.26 -4.81 120.40 110.37 3k1k s VAL 193 Ca 0.53 -1.66 -0.30 0.00 -1.81 0.00 0.00 61.98 58.74 3k1k s VAL 193 Cb -0.33 -1.37 -0.02 0.00 0.56 0.00 0.00 36.38 35.23 3k1k s VAL 193 CO 0.42 -0.61 1.17 -0.76 -0.31 0.00 0.00 175.10 175.01 3k1k s LEU 194 N -2.50 4.22 -0.33 1.32 1.43 -1.26 -5.02 118.68 116.54 3k1k s LEU 194 Ca 0.06 1.68 -0.10 0.00 -1.03 0.00 0.00 54.13 54.73 3k1k s LEU 194 Cb -0.02 -3.55 -0.00 0.00 0.03 0.00 0.00 46.19 42.65 3k1k s LEU 194 CO -0.01 -0.63 0.18 -0.76 0.23 0.00 0.00 176.35 175.36 3k1k s LEU 195 N 2.69 4.29 0.42 1.79 1.43 -1.26 -3.99 118.68 124.05 3k1k s LEU 195 Ca 0.53 -0.60 -0.11 0.00 -1.03 0.00 0.00 54.13 52.92 3k1k s LEU 195 Cb -0.22 -2.03 -0.07 0.00 0.03 0.00 0.00 46.19 43.91 3k1k s LEU 195 CO 0.17 -0.24 0.80 -2.16 0.23 0.00 0.00 176.35 175.15 3k1k s PRO 196 N 1.62 3.80 0.83 1.29 0.04 -1.26 -4.96 135.00 136.36 3k1k s PRO 196 Ca 0.04 0.53 -0.10 0.00 0.04 0.00 0.00 61.00 61.51 3k1k s PRO 196 Cb -0.17 -2.36 0.09 0.00 0.04 0.00 0.00 34.50 32.10 3k1k s PRO 196 CO 0.07 -0.07 1.11 -0.51 0.04 0.00 0.00 177.00 177.64 3k1k s ASP 197 N -3.15 3.86 0.11 6.66 -0.00 -1.26 -3.83 116.67 119.06 3k1k s ASP 197 Ca 0.52 1.96 -0.36 0.00 -0.00 0.00 0.00 52.55 54.67 3k1k s ASP 197 Cb -0.10 -2.53 -0.15 0.00 -0.00 0.00 0.00 42.92 40.13 3k1k s ASP 197 CO 0.31 -2.46 1.45 0.59 -0.00 0.00 0.00 175.17 175.06 3k1k n ASN 198 N -3.81 2.26 -2.21 0.27 3.02 -1.26 -4.83 115.26 108.70 3k1k n ASN 198 Ca 0.10 1.10 -0.05 0.00 -0.03 0.00 0.00 54.58 55.70 3k1k n ASN 198 Cb 0.53 -1.29 0.02 0.00 -0.61 0.00 0.00 39.78 38.43 3k1k n ASN 198 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3k1k n HIS 199 N 2.98 -1.77 -4.07 3.10 1.44 -1.06 -4.84 115.22 111.00 3k1k n HIS 199 Ca 0.18 -1.15 -0.09 0.00 -2.01 0.00 0.00 57.72 54.65 3k1k n HIS 199 Cb 0.23 0.57 -0.09 0.00 0.12 0.00 0.00 29.99 30.82 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 -4.39 0.63 -0.12 -1.40 -0.85 -0.83 -0.44 117.35 109.95 3k1k s TYR 200 Ca 0.11 -1.03 -0.02 0.00 -0.52 0.00 0.00 57.07 55.61 3k1k s TYR 200 Cb -0.03 -0.32 -0.03 0.00 0.38 0.00 0.00 41.96 41.96 3k1k s TYR 200 CO 0.07 -0.55 -0.06 -0.51 -1.52 0.00 0.00 175.55 172.98 3k1k s LEU 201 N -2.99 3.16 -0.24 -3.49 1.43 0.68 -1.16 118.68 116.07 3k1k s LEU 201 Ca 0.18 -0.11 -0.07 0.00 -1.03 0.00 0.00 54.13 53.10 3k1k s LEU 201 Cb 0.06 -1.73 -0.03 0.00 0.03 0.00 0.00 46.19 44.53 3k1k s LEU 201 CO -0.02 0.24 0.06 -0.55 0.23 0.00 0.00 176.35 176.31 3k1k s SER 202 N -0.08 5.08 0.09 2.29 0.15 0.46 0.15 113.70 121.85 3k1k s SER 202 Ca 0.01 -0.21 0.10 0.00 0.70 0.00 0.00 55.95 56.55 3k1k s SER 202 Cb -0.13 -1.91 -0.03 0.00 -1.71 0.00 0.00 66.02 62.24 3k1k s SER 202 CO 0.03 -0.02 -0.26 -0.89 1.20 0.00 0.00 173.24 173.30 3k1k s THR 203 N 1.52 2.11 -0.01 6.45 2.01 0.09 -1.50 115.64 126.31 3k1k s THR 203 Ca 0.06 -1.58 -0.00 0.00 0.31 0.00 0.00 61.69 60.48 3k1k s THR 203 Cb -0.15 -1.85 0.01 0.00 0.01 0.00 0.00 72.50 70.52 3k1k s THR 203 CO 0.03 0.17 0.02 -1.10 -0.69 0.00 0.00 174.62 173.05 3k1k s GLN 204 N -1.72 -0.00 -0.01 4.92 -0.21 -0.33 -1.91 119.66 120.40 3k1k s GLN 204 Ca 0.12 0.07 -0.01 0.00 0.02 0.00 0.00 55.36 55.57 3k1k s GLN 204 Cb -0.10 -0.07 0.00 0.00 1.00 0.00 0.00 33.01 33.84 3k1k s GLN 204 CO 0.04 -0.05 0.02 -1.12 -2.12 0.00 0.00 175.29 172.06 3k1k s SER 205 N 0.34 -0.02 -0.09 5.90 0.01 -1.26 -1.12 113.70 117.47 3k1k s SER 205 Ca -0.03 0.04 0.03 0.00 1.31 0.00 0.00 55.95 57.30 3k1k s SER 205 Cb -0.04 0.03 0.01 0.00 0.21 0.00 0.00 66.02 66.23 3k1k s SER 205 CO -0.01 -0.01 -0.19 0.00 0.41 0.00 0.00 173.24 173.44 3k1k s ALA 206 N 0.04 1.83 -0.03 1.44 0.00 -0.18 -4.33 121.76 120.53 3k1k s ALA 206 Ca -0.00 -0.77 -0.03 0.00 0.00 0.00 0.00 51.96 51.16 3k1k s ALA 206 Cb -0.00 -0.74 -0.04 0.00 0.00 0.00 0.00 23.12 22.33 3k1k s ALA 206 CO -0.00 0.18 0.13 -0.51 0.00 0.00 0.00 175.76 175.56 3k1k s LEU 207 N 0.53 4.17 0.00 0.00 1.43 -1.26 -1.75 118.68 121.80 3k1k s LEU 207 Ca -0.16 0.29 -0.05 0.00 -1.03 0.00 0.00 54.13 53.19 3k1k s LEU 207 Cb -0.17 -2.35 0.02 0.00 0.03 0.00 0.00 46.19 43.72 3k1k s LEU 207 CO 0.06 0.30 0.49 -1.54 0.23 0.00 0.00 176.35 175.89 3k1k n SER 208 N 1.30 -1.39 -4.36 2.29 3.41 -0.55 -4.92 113.62 109.40 3k1k n SER 208 Ca -0.14 -2.55 -0.26 0.00 -0.26 0.00 0.00 58.87 55.66 3k1k n SER 208 Cb 0.53 2.49 -0.12 0.00 -0.26 0.00 0.00 64.21 66.85 3k1k n SER 208 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3k1k s LYS 209 N -2.51 1.33 -0.41 4.33 -0.14 -1.26 -2.15 119.74 118.93 3k1k s LYS 209 Ca 0.22 -1.34 -0.22 0.00 -1.36 0.00 0.00 55.97 53.26 3k1k s LYS 209 Cb -0.02 -1.67 0.02 0.00 -1.68 0.00 0.00 37.83 34.48 3k1k s LYS 209 CO 0.16 0.38 0.71 0.34 -0.76 0.00 0.00 175.35 176.18 3k1k s ASP 210 N -2.23 6.42 0.65 2.83 2.15 -1.26 -4.94 116.67 120.29 3k1k s ASP 210 Ca 0.14 -0.02 0.43 0.00 0.43 0.00 0.00 52.55 53.52 3k1k s ASP 210 Cb -0.09 -2.36 2.30 0.00 -0.30 0.00 0.00 42.92 42.47 3k1k s ASP 210 CO 0.06 -0.77 2.33 1.55 -0.17 0.00 0.00 175.17 178.17 3k1k h PRO 211 N 8.74 0.00 -0.47 4.34 0.13 -2.03 0.26 132.00 142.97 3k1k h PRO 211 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3k1k h PRO 211 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3k1k h PRO 211 CO 0.91 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.77 3k1k n ASN 212 N -3.12 3.30 -4.66 1.44 3.02 -1.26 -4.92 115.26 109.06 3k1k n ASN 212 Ca -0.03 -2.04 -0.38 0.00 -0.03 0.00 0.00 54.58 52.10 3k1k n ASN 212 Cb 0.10 -0.32 -0.08 0.00 -0.61 0.00 0.00 39.78 38.87 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 -1.07 4.15 0.03 3.52 2.56 0.08 -4.95 118.70 123.01 3k1k s GLU 213 Ca 0.32 0.21 0.17 0.00 0.00 0.00 0.00 54.97 55.67 3k1k s GLU 213 Cb 0.17 -3.56 -0.16 0.00 2.00 0.00 0.00 34.13 32.58 3k1k s GLU 213 CO 0.21 -0.10 0.71 1.63 -0.56 0.00 0.00 175.26 177.15 3k1k n LYS 214 N 4.68 0.63 -1.67 4.30 5.02 -1.26 -4.92 118.16 124.94 3k1k n LYS 214 Ca -0.08 0.16 -0.30 0.00 -2.02 0.00 0.00 58.31 56.07 3k1k n LYS 214 Cb 0.51 -1.75 0.08 0.00 -0.02 0.00 0.00 35.03 33.85 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 -2.93 2.18 0.11 1.97 3.00 -1.26 -4.99 118.95 117.02 3k1k s ARG 215 Ca -0.04 0.51 -0.31 0.00 0.00 0.00 0.00 55.73 55.89 3k1k s ARG 215 Cb 0.09 -1.94 -0.08 0.00 0.00 0.00 0.00 34.95 33.02 3k1k s ARG 215 CO 0.82 -1.53 1.37 0.34 0.00 0.00 0.00 175.30 176.31 3k1k s ASP 216 N -4.10 6.85 0.00 0.23 2.15 -1.26 -4.97 116.67 115.57 3k1k s ASP 216 Ca 0.60 2.29 0.00 0.00 0.43 0.00 0.00 52.55 55.88 3k1k s ASP 216 Cb -0.13 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 39.90 3k1k s ASP 216 CO 0.53 -0.63 0.00 0.00 -0.17 0.00 0.00 175.17 174.90 3k1k n HIS 217 N 3.95 0.00 -3.70 -5.34 1.44 -1.26 -1.34 115.22 108.98 3k1k n HIS 217 Ca 0.11 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.71 3k1k n HIS 217 Cb 0.43 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.42 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 -2.00 -0.15 -0.08 0.61 1.01 -0.91 -4.97 120.40 113.90 3k1k s VAL 219 Ca 0.00 0.15 0.04 0.00 0.00 0.00 0.00 61.98 62.17 3k1k s VAL 219 Cb 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 36.38 35.87 3k1k s VAL 219 CO 0.00 0.06 -0.21 -0.22 0.00 0.00 0.00 175.10 174.73 3k1k s LEU 220 N 1.62 1.98 -0.13 3.92 2.96 0.13 -1.47 118.68 127.68 3k1k s LEU 220 Ca -0.07 -0.48 0.03 0.00 -0.22 0.00 0.00 54.13 53.38 3k1k s LEU 220 Cb -0.10 -1.24 0.01 0.00 0.50 0.00 0.00 46.19 45.35 3k1k s LEU 220 CO -0.11 0.14 -0.21 -0.22 -1.32 0.00 0.00 176.35 174.63 3k1k s LEU 221 N 0.31 2.17 0.03 -0.68 2.96 -0.72 -1.06 118.68 121.69 3k1k s LEU 221 Ca -0.15 -0.57 0.01 0.00 -0.22 0.00 0.00 54.13 53.20 3k1k s LEU 221 Cb -0.16 -1.45 -0.02 0.00 0.50 0.00 0.00 46.19 45.05 3k1k s LEU 221 CO 0.07 0.11 -0.04 -0.70 -1.32 0.00 0.00 176.35 174.46 3k1k s GLU 222 N 0.67 0.37 -0.05 1.98 2.12 0.15 -1.01 118.70 122.94 3k1k s GLU 222 Ca -0.10 -0.62 0.02 0.00 0.36 0.00 0.00 54.97 54.62 3k1k s GLU 222 Cb -0.16 -0.04 0.01 0.00 0.26 0.00 0.00 34.13 34.20 3k1k s GLU 222 CO 0.02 -0.01 -0.09 -0.06 -0.54 0.00 0.00 175.26 174.57 3k1k s PHE 223 N -1.34 1.09 -0.03 5.30 0.40 -0.27 -0.93 117.98 122.18 3k1k s PHE 223 Ca -0.13 -0.34 0.02 0.00 -0.60 0.00 0.00 56.93 55.88 3k1k s PHE 223 Cb -0.09 -0.83 0.01 0.00 0.51 0.00 0.00 43.02 42.62 3k1k s PHE 223 CO -0.00 -0.20 -0.06 0.08 0.70 0.00 0.00 175.22 175.74 3k1k s VAL 224 N 0.60 0.59 -0.05 -0.44 1.01 0.24 -1.19 120.40 121.15 3k1k s VAL 224 Ca -0.10 -0.22 -0.02 0.00 0.00 0.00 0.00 61.98 61.64 3k1k s VAL 224 Cb -0.13 -0.56 0.04 0.00 0.00 0.00 0.00 36.38 35.72 3k1k s VAL 224 CO 0.02 0.21 0.11 -0.89 0.00 0.00 0.00 175.10 174.54 3k1k s THR 225 N 0.47 -0.10 0.45 3.92 2.01 -0.56 -1.39 115.64 120.43 3k1k s THR 225 Ca -0.06 0.26 -0.22 0.00 0.31 0.00 0.00 61.69 61.98 3k1k s THR 225 Cb -0.10 -0.20 -0.08 0.00 0.01 0.00 0.00 72.50 72.13 3k1k s THR 225 CO 0.00 0.11 1.08 0.00 -0.69 0.00 0.00 174.62 175.12 3k1k s ALA 226 N 1.52 2.97 0.22 7.40 0.00 0.56 -0.41 121.76 134.02 3k1k s ALA 226 Ca -0.05 0.75 -0.22 0.00 0.00 0.00 0.00 51.96 52.44 3k1k s ALA 226 Cb -0.12 -3.30 0.04 0.00 0.00 0.00 0.00 23.12 19.74 3k1k s ALA 226 CO -0.05 -0.40 0.69 0.00 0.00 0.00 0.00 175.76 176.00 3k1k s ALA 227 N -1.72 -1.41 0.00 0.00 0.00 -0.31 -4.58 121.76 113.75 3k1k s ALA 227 Ca 0.63 0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.65 3k1k s ALA 227 Cb -0.22 0.84 0.00 0.00 0.00 0.00 0.00 23.12 23.74 3k1k s ALA 227 CO 0.27 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.52 3k1k n GLY 228 N -0.42 1.35 0.00 0.00 0.00 -1.26 -1.96 105.19 102.89 3k1k n GLY 228 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3k1k n GLY 228 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71