#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p4k n THR 2 N 0.00 0.40 -3.48 12.58 -1.04 -1.26 -4.95 114.28 116.53 1p4k n THR 2 Ca 0.00 -0.10 -0.43 0.00 -2.04 0.00 0.00 64.05 61.49 1p4k n THR 2 Cb 0.00 -1.27 -0.08 0.00 -1.82 0.00 0.00 70.33 67.16 1p4k n THR 2 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1p4k s ASN 3 N 0.51 5.92 -0.01 8.00 2.47 0.22 -4.99 114.94 127.06 1p4k s ASN 3 Ca 0.76 -1.44 -0.18 0.00 0.42 0.00 0.00 52.86 52.41 1p4k s ASN 3 Cb -0.75 -2.10 0.03 0.00 -1.45 0.00 0.00 41.25 36.99 1p4k s ASN 3 CO 0.45 -0.61 0.39 -1.59 -3.72 0.00 0.00 177.10 172.02 1p4k s LYS 4 N 1.54 0.78 0.74 0.43 -2.85 -1.26 -4.09 119.74 115.02 1p4k s LYS 4 Ca 0.04 -0.14 -0.12 0.00 -1.00 0.00 0.00 55.97 54.75 1p4k s LYS 4 Cb -0.24 0.35 0.03 0.00 -2.06 0.00 0.00 37.83 35.91 1p4k s LYS 4 CO 0.04 -0.23 1.11 -2.14 0.10 0.00 0.00 175.35 174.23 1p4k s PRO 5 N -1.49 2.60 -0.20 1.78 0.02 -1.26 -4.92 135.00 131.53 1p4k s PRO 5 Ca -0.12 0.43 -0.25 0.00 0.02 0.00 0.00 61.00 61.08 1p4k s PRO 5 Cb -0.03 -1.99 0.06 0.00 0.02 0.00 0.00 34.50 32.55 1p4k s PRO 5 CO 0.04 -1.21 0.66 -1.50 -0.33 0.00 0.00 177.00 174.66 1p4k s ILE 6 N -3.37 0.00 -0.00 2.83 2.07 -0.52 -4.33 121.20 117.88 1p4k s ILE 6 Ca 0.59 -0.02 0.01 0.00 -1.41 0.00 0.00 60.65 59.83 1p4k s ILE 6 Cb -0.11 -0.93 -0.00 0.00 0.13 0.00 0.00 42.46 41.54 1p4k s ILE 6 CO 0.52 -0.01 -0.04 0.54 -1.91 0.00 0.00 174.94 174.04 1p4k s VAL 7 N -0.05 0.32 0.02 4.00 0.11 -0.53 -0.77 120.40 123.50 1p4k s VAL 7 Ca -0.03 -0.17 0.07 0.00 -2.93 0.00 0.00 61.98 58.92 1p4k s VAL 7 Cb -0.04 -0.28 -0.02 0.00 -1.53 0.00 0.00 36.38 34.52 1p4k s VAL 7 CO 0.03 0.09 -0.20 -0.76 -3.33 0.00 0.00 175.10 170.93 1p4k s LEU 8 N -0.08 2.13 0.06 2.54 1.02 -0.05 -0.96 118.68 123.33 1p4k s LEU 8 Ca 0.01 -0.46 -0.11 0.00 0.02 0.00 0.00 54.13 53.59 1p4k s LEU 8 Cb -0.02 -0.96 0.01 0.00 0.02 0.00 0.00 46.19 45.25 1p4k s LEU 8 CO -0.00 0.18 0.25 -0.94 0.02 0.00 0.00 176.35 175.85 1p4k s SER 9 N -0.95 -0.03 0.38 2.29 1.04 -0.68 -1.04 113.70 114.72 1p4k s SER 9 Ca 0.07 -0.35 -0.21 0.00 0.48 0.00 0.00 55.95 55.93 1p4k s SER 9 Cb -0.08 0.34 -0.10 0.00 0.10 0.00 0.00 66.02 66.27 1p4k s SER 9 CO 0.01 -0.63 0.91 0.42 0.98 0.00 0.00 173.24 174.93 1p4k s THR 10 N -2.91 4.39 0.39 2.02 -4.23 -0.75 -0.67 115.64 113.89 1p4k s THR 10 Ca -0.02 1.49 0.00 0.00 -1.18 0.00 0.00 61.69 61.98 1p4k s THR 10 Cb 0.00 -3.71 0.00 0.00 1.34 0.00 0.00 72.50 70.14 1p4k s THR 10 CO -0.06 -0.17 0.00 0.79 -0.54 0.00 0.00 174.62 174.64 1p4k n TRP 11 N -0.27 -3.37 -0.30 3.99 7.02 0.23 -3.16 117.44 121.57 1p4k n TRP 11 Ca 0.05 1.74 0.07 0.00 -1.02 0.00 0.00 57.50 58.34 1p4k n TRP 11 Cb 0.53 -3.07 0.22 0.00 -2.42 0.00 0.00 31.31 26.58 1p4k n TRP 11 CO 0.00 0.00 0.00 -0.91 -2.02 0.00 0.00 177.69 174.76 1p4k h ASN 12 N -1.25 0.59 0.54 -0.99 -0.26 -1.94 0.14 115.58 112.43 1p4k h ASN 12 Ca -0.04 0.08 0.00 0.00 -0.56 0.00 0.00 56.30 55.78 1p4k h ASN 12 Cb 1.22 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 38.46 1p4k h ASN 12 CO 0.03 0.27 0.00 2.22 -1.06 0.00 0.00 177.43 178.89 1p4k n PHE 13 N -4.83 0.34 0.28 1.19 -0.00 -1.26 -1.89 117.46 111.28 1p4k n PHE 13 Ca 0.17 0.14 0.16 0.00 -0.00 0.00 0.00 57.45 57.91 1p4k n PHE 13 Cb 0.42 -0.72 0.77 0.00 -0.00 0.00 0.00 39.48 39.95 1p4k n PHE 13 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 1p4k h GLY 14 N 2.19 0.00 0.91 4.97 0.00 -0.91 -2.08 103.07 108.15 1p4k h GLY 14 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1p4k h GLY 14 CO 0.00 0.00 0.11 -2.00 0.00 0.00 0.00 176.54 174.65 1p4k h LEU 15 N 0.00 0.35 -0.67 3.11 5.85 -1.52 0.18 115.31 122.62 1p4k h LEU 15 Ca -0.00 -0.15 -0.14 0.00 0.84 0.00 0.00 57.88 58.43 1p4k h LEU 15 Cb 0.38 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1p4k h LEU 15 CO 0.01 0.40 -0.44 0.45 -0.34 0.00 0.00 178.44 178.52 1p4k h HIS 16 N 0.27 0.62 -0.65 1.25 -0.00 -1.63 -2.74 115.15 112.27 1p4k h HIS 16 Ca 0.09 -0.19 -0.07 0.00 -0.00 0.00 0.00 60.37 60.20 1p4k h HIS 16 Cb 0.15 -0.13 -0.03 0.00 -0.00 0.00 0.00 27.41 27.41 1p4k h HIS 16 CO -0.01 0.87 0.14 0.00 -0.00 0.00 0.00 177.93 178.93 1p4k h ALA 17 N 1.10 1.02 -0.55 2.45 0.00 -1.08 -2.67 119.26 119.54 1p4k h ALA 17 Ca 0.03 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1p4k h ALA 17 Cb 0.94 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1p4k h ALA 17 CO 0.08 0.64 0.34 -0.91 0.00 0.00 0.00 179.25 179.40 1p4k h ASN 18 N 0.99 0.64 -0.80 0.00 4.21 -0.35 -2.14 115.58 118.14 1p4k h ASN 18 Ca 0.21 -0.02 -0.02 0.00 1.21 0.00 0.00 56.30 57.67 1p4k h ASN 18 Cb 0.37 -0.16 -0.04 0.00 -1.12 0.00 0.00 38.32 37.38 1p4k h ASN 18 CO 0.00 0.48 0.42 0.58 -1.29 0.00 0.00 177.43 177.63 1p4k h VAL 19 N 0.75 1.24 -0.45 2.81 2.07 -1.25 0.18 116.25 121.60 1p4k h VAL 19 Ca 0.20 -0.62 -0.14 0.00 0.82 0.00 0.00 66.70 66.96 1p4k h VAL 19 Cb -0.05 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 29.90 1p4k h VAL 19 CO -0.04 0.27 -0.27 -0.33 0.02 0.00 0.00 177.57 177.22 1p4k h GLU 20 N 1.11 0.97 -0.41 1.57 4.39 -1.40 -2.64 114.58 118.18 1p4k h GLU 20 Ca 0.28 -0.45 -0.08 0.00 0.34 0.00 0.00 59.36 59.45 1p4k h GLU 20 Cb 0.05 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 1p4k h GLU 20 CO -0.04 1.12 -0.07 0.00 -1.16 0.00 0.00 179.01 178.86 1p4k h ALA 21 N 0.83 1.13 0.00 3.43 0.00 -1.10 -2.76 119.26 120.80 1p4k h ALA 21 Ca 0.09 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 1p4k h ALA 21 Cb 0.85 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1p4k h ALA 21 CO 0.08 0.55 -0.29 2.35 0.00 0.00 0.00 179.25 181.94 1p4k h TRP 22 N 0.64 0.00 -0.51 0.00 2.91 -0.39 -0.92 115.95 117.68 1p4k h TRP 22 Ca 0.12 0.00 0.04 0.00 1.13 0.00 0.00 58.89 60.18 1p4k h TRP 22 Cb 0.49 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 29.12 1p4k h TRP 22 CO 0.02 0.29 0.34 0.87 -1.03 0.00 0.00 178.44 178.93 1p4k h LYS 23 N 0.00 0.52 0.00 2.65 1.57 -1.17 0.19 116.57 120.33 1p4k h LYS 23 Ca -0.00 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 1p4k h LYS 23 Cb 0.53 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1p4k h LYS 23 CO 0.04 0.34 -0.33 0.28 -0.57 0.00 0.00 179.45 179.21 1p4k h VAL 24 N 0.53 0.68 -0.61 0.50 2.07 -1.42 -3.36 116.25 114.65 1p4k h VAL 24 Ca 0.21 -1.60 0.08 0.00 0.82 0.00 0.00 66.70 66.21 1p4k h VAL 24 Cb 0.17 1.38 -0.06 0.00 -1.52 0.00 0.00 31.29 31.25 1p4k h VAL 24 CO -0.06 0.23 0.27 -0.07 0.02 0.00 0.00 177.57 177.96 1p4k h LEU 25 N -1.00 0.33 -1.41 2.57 3.38 -1.03 -0.96 115.31 117.19 1p4k h LEU 25 Ca -0.06 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1p4k h LEU 25 Cb 0.62 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1p4k h LEU 25 CO -0.04 0.20 0.00 0.77 0.09 0.00 0.00 178.44 179.47 1p4k h SER 26 N 0.49 0.00 -0.71 -0.43 4.64 -0.83 -1.31 113.55 115.40 1p4k h SER 26 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1p4k h SER 26 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1p4k h SER 26 CO -0.25 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.00 1p4k n LYS 27 N -2.50 2.80 -0.85 4.77 4.76 -0.69 -4.92 118.16 121.53 1p4k n LYS 27 Ca -0.00 -2.65 0.00 0.00 -2.87 0.00 0.00 58.31 52.79 1p4k n LYS 27 Cb 0.15 -1.57 0.00 0.00 -1.84 0.00 0.00 35.03 31.77 1p4k n LYS 27 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1p4k n GLY 28 N 1.56 0.57 3.65 0.72 0.00 -0.49 -5.04 105.19 106.15 1p4k n GLY 28 Ca 0.24 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1p4k n GLY 28 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1p4k s GLY 29 N -2.08 1.60 0.34 -0.02 0.00 -0.45 -4.76 107.32 101.94 1p4k s GLY 29 Ca 0.00 -0.08 -0.27 0.00 0.00 0.00 0.00 44.72 44.37 1p4k s GLY 29 CO 0.00 0.49 1.10 0.54 0.00 0.00 0.00 173.10 175.23 1p4k s LYS 30 N -4.80 4.37 0.41 2.90 1.02 -1.26 -4.50 119.74 117.87 1p4k s LYS 30 Ca 0.65 1.72 0.08 0.00 0.02 0.00 0.00 55.97 58.44 1p4k s LYS 30 Cb -0.20 -2.88 0.86 0.00 -0.52 0.00 0.00 37.83 35.09 1p4k s LYS 30 CO 0.59 -0.01 2.04 0.00 -0.92 0.00 0.00 175.35 177.05 1p4k h ALA 31 N 3.15 1.74 -0.37 5.17 0.00 -1.92 -1.79 119.26 125.25 1p4k h ALA 31 Ca -0.48 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.42 1p4k h ALA 31 Cb 1.22 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1p4k h ALA 31 CO 0.64 0.22 0.22 1.25 0.00 0.00 0.00 179.25 181.58 1p4k h LEU 32 N 0.57 0.37 -0.65 0.00 5.85 -1.92 -1.11 115.31 118.42 1p4k h LEU 32 Ca 0.18 -0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.81 1p4k h LEU 32 Cb 0.04 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1p4k h LEU 32 CO -0.04 0.27 0.03 0.44 -0.34 0.00 0.00 178.44 178.79 1p4k h ASP 33 N 0.45 1.05 -0.38 1.25 3.32 -1.79 -2.63 116.42 117.70 1p4k h ASP 33 Ca 0.14 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 1p4k h ASP 33 Cb -0.02 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 1p4k h ASP 33 CO -0.05 1.08 0.21 0.00 -1.72 0.00 0.00 179.24 178.76 1p4k h ALA 34 N 1.02 0.49 -0.08 3.45 0.00 -0.92 -1.18 119.26 122.04 1p4k h ALA 34 Ca 0.18 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 1p4k h ALA 34 Cb 0.53 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1p4k h ALA 34 CO 0.03 0.01 -0.53 -0.39 0.00 0.00 0.00 179.25 178.36 1p4k h VAL 35 N 0.48 1.36 -0.01 0.00 -1.51 -1.19 -0.10 116.25 115.28 1p4k h VAL 35 Ca 0.13 -1.82 -0.00 0.00 -1.23 0.00 0.00 66.70 63.78 1p4k h VAL 35 Cb 0.06 1.89 -0.00 0.00 -2.13 0.00 0.00 31.29 31.11 1p4k h VAL 35 CO -0.02 0.54 -0.00 -0.08 -1.23 0.00 0.00 177.57 176.78 1p4k h GLU 36 N 0.18 0.02 -0.98 5.19 4.81 -1.30 -2.42 114.58 120.07 1p4k h GLU 36 Ca 0.00 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1p4k h GLU 36 Cb 1.00 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.33 1p4k h GLU 36 CO 0.08 0.35 0.65 -0.22 -0.73 0.00 0.00 179.01 179.14 1p4k h LYS 37 N -0.31 1.27 0.00 1.92 3.64 -1.13 -1.54 116.57 120.41 1p4k h LYS 37 Ca 0.00 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1p4k h LYS 37 Cb 0.34 -0.29 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1p4k h LYS 37 CO 0.00 0.84 -0.00 0.78 -2.27 0.00 0.00 179.45 178.80 1p4k h GLY 38 N 1.31 -0.00 2.00 5.01 0.00 -0.89 -3.10 103.07 107.39 1p4k h GLY 38 Ca 0.37 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.63 1p4k h GLY 38 CO -0.09 -0.00 -0.32 -0.39 0.00 0.00 0.00 176.54 175.74 1p4k h VAL 39 N -0.15 0.62 -0.14 4.60 -1.51 -1.35 -2.99 116.25 115.32 1p4k h VAL 39 Ca -0.00 -1.59 -0.01 0.00 -1.23 0.00 0.00 66.70 63.87 1p4k h VAL 39 Cb 0.15 2.09 -0.01 0.00 -2.13 0.00 0.00 31.29 31.39 1p4k h VAL 39 CO 0.00 0.31 0.04 0.03 -1.23 0.00 0.00 177.57 176.72 1p4k h ARG 40 N 0.00 0.20 -0.69 5.19 3.08 -1.21 -1.77 114.38 119.18 1p4k h ARG 40 Ca -0.00 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.09 1p4k h ARG 40 Cb 1.06 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 31.01 1p4k h ARG 40 CO 0.04 0.19 0.38 1.25 -1.07 0.00 0.00 179.97 180.76 1p4k h LEU 41 N 0.20 0.56 -0.33 3.04 5.85 -1.46 -0.68 115.31 122.49 1p4k h LEU 41 Ca 0.05 0.03 -0.20 0.00 0.84 0.00 0.00 57.88 58.61 1p4k h LEU 41 Cb 0.08 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.04 1p4k h LEU 41 CO -0.00 0.35 -0.78 0.58 -0.34 0.00 0.00 178.44 178.25 1p4k h VAL 42 N 0.69 1.37 -0.71 1.05 2.07 -1.50 -2.80 116.25 116.42 1p4k h VAL 42 Ca 0.31 -2.19 -0.03 0.00 0.82 0.00 0.00 66.70 65.61 1p4k h VAL 42 Cb 0.21 2.17 -0.03 0.00 -1.52 0.00 0.00 31.29 32.12 1p4k h VAL 42 CO -0.19 0.66 0.31 -0.33 0.02 0.00 0.00 177.57 178.04 1p4k h GLU 43 N 0.29 1.03 0.00 1.57 5.08 -0.88 -2.76 114.58 118.91 1p4k h GLU 43 Ca -0.04 -0.16 -0.09 0.00 -1.00 0.00 0.00 59.36 58.07 1p4k h GLU 43 Cb 1.38 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1p4k h GLU 43 CO 0.14 0.82 -0.41 -0.44 -1.00 0.00 0.00 179.01 178.12 1p4k h ASP 44 N 1.01 0.00 -3.52 1.42 3.32 -1.06 -0.16 116.42 117.44 1p4k h ASP 44 Ca 0.24 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.73 1p4k h ASP 44 Cb 0.15 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.64 1p4k h ASP 44 CO -0.03 0.41 0.97 -0.62 -1.72 0.00 0.00 179.24 178.25 1p4k s ASP 45 N -6.54 6.52 0.58 6.45 -1.08 -1.04 -4.84 116.67 116.72 1p4k s ASP 45 Ca -0.01 0.47 0.28 0.00 -0.52 0.00 0.00 52.55 52.77 1p4k s ASP 45 Cb 0.12 -2.55 1.74 0.00 -1.46 0.00 0.00 42.92 40.77 1p4k s ASP 45 CO 0.70 -1.35 2.24 -0.65 0.52 0.00 0.00 175.17 176.63 1p4k h PRO 46 N 9.65 0.00 0.00 4.34 0.11 -1.85 -2.06 132.00 142.19 1p4k h PRO 46 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1p4k h PRO 46 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1p4k h PRO 46 CO 1.13 0.01 0.00 0.25 -0.21 0.00 0.00 178.00 179.18 1p4k n THR 47 N -3.92 0.57 -3.05 -1.15 -2.24 -1.26 -4.39 114.28 98.84 1p4k n THR 47 Ca -0.03 -0.20 -0.44 0.00 -2.27 0.00 0.00 64.05 61.11 1p4k n THR 47 Cb 0.09 -0.64 -0.04 0.00 -2.10 0.00 0.00 70.33 67.63 1p4k n THR 47 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1p4k s GLU 48 N -3.11 3.06 0.00 -0.78 0.41 -0.78 -4.92 118.70 112.58 1p4k s GLU 48 Ca 0.10 -1.20 0.19 0.00 -0.41 0.00 0.00 54.97 53.65 1p4k s GLU 48 Cb 0.13 -4.26 1.12 0.00 -1.78 0.00 0.00 34.13 29.34 1p4k s GLU 48 CO 0.57 -1.60 1.57 0.54 -0.49 0.00 0.00 175.26 175.84 1p4k n ARG 49 N 6.64 0.75 -0.03 1.61 5.12 -1.26 -3.52 116.66 125.97 1p4k n ARG 49 Ca -0.08 0.00 0.01 0.00 -1.93 0.00 0.00 57.85 55.85 1p4k n ARG 49 Cb 0.43 -1.39 0.02 0.00 -1.16 0.00 0.00 32.46 30.36 1p4k n ARG 49 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1p4k n SER 50 N -0.89 1.55 -3.74 0.55 7.64 -1.26 -1.20 113.62 116.27 1p4k n SER 50 Ca 0.14 -1.93 -0.16 0.00 1.01 0.00 0.00 58.87 57.94 1p4k n SER 50 Cb 0.06 -0.06 -0.16 0.00 -1.01 0.00 0.00 64.21 63.04 1p4k n SER 50 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1p4k s VAL 51 N -0.99 -0.08 0.00 0.44 1.01 -1.23 -0.29 120.40 119.26 1p4k s VAL 51 Ca 0.04 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.27 1p4k s VAL 51 Cb 0.04 -0.16 0.00 0.00 0.00 0.00 0.00 36.38 36.26 1p4k s VAL 51 CO 0.00 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.82 1p4k n GLY 52 N 4.47 2.73 3.72 4.51 0.00 -1.26 -4.37 105.19 114.99 1p4k n GLY 52 Ca -0.22 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.31 1p4k n GLY 52 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1p4k n TYR 53 N 14.00 2.68 -0.73 1.61 9.36 -0.07 -1.27 117.16 142.75 1p4k n TYR 53 Ca 0.00 0.22 0.00 0.00 3.32 0.00 0.00 57.90 61.44 1p4k n TYR 53 Cb 0.00 -2.60 0.00 0.00 -0.63 0.00 0.00 39.34 36.11 1p4k n TYR 53 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1p4k n GLY 54 N 2.78 0.83 3.77 2.98 0.00 -1.02 -3.85 105.19 110.68 1p4k n GLY 54 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 1p4k n GLY 54 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1p4k s GLY 55 N -1.77 2.94 0.24 -0.02 0.00 -0.40 -4.36 107.32 103.96 1p4k s GLY 55 Ca 0.00 1.10 -0.30 0.00 0.00 0.00 0.00 44.72 45.52 1p4k s GLY 55 CO 0.00 1.67 1.49 0.50 0.00 0.00 0.00 173.10 176.76 1p4k s ARG 56 N -2.06 4.23 0.92 2.90 0.52 -0.34 -4.88 118.95 120.24 1p4k s ARG 56 Ca 0.53 2.36 -0.13 0.00 -0.52 0.00 0.00 55.73 57.98 1p4k s ARG 56 Cb -0.35 -3.10 0.14 0.00 0.52 0.00 0.00 34.95 32.16 1p4k s ARG 56 CO 0.45 -0.49 1.16 -1.25 0.02 0.00 0.00 175.30 175.19 1p4k s PRO 57 N -0.17 1.08 1.12 3.54 0.04 -1.26 -4.66 135.00 134.69 1p4k s PRO 57 Ca 0.62 0.20 -0.18 0.00 0.04 0.00 0.00 61.00 61.67 1p4k s PRO 57 Cb -0.43 -1.84 0.26 0.00 0.04 0.00 0.00 34.50 32.53 1p4k s PRO 57 CO 0.42 -2.22 1.20 0.16 0.04 0.00 0.00 177.00 176.60 1p4k s ASP 58 N -4.15 1.66 0.02 6.66 1.47 -0.15 -0.41 116.67 121.77 1p4k s ASP 58 Ca 0.65 0.45 0.09 0.00 1.18 0.00 0.00 52.55 54.91 1p4k s ASP 58 Cb -0.13 -0.58 0.39 0.00 -0.34 0.00 0.00 42.92 42.26 1p4k s ASP 58 CO 0.53 -3.65 1.28 -2.11 0.68 0.00 0.00 175.17 171.90 1p4k n ARG 59 N -4.41 0.01 -0.09 2.11 1.85 0.19 -1.01 116.66 115.31 1p4k n ARG 59 Ca 0.15 0.37 0.12 0.00 -1.00 0.00 0.00 57.85 57.49 1p4k n ARG 59 Cb 0.60 -1.53 0.31 0.00 -1.05 0.00 0.00 32.46 30.78 1p4k n ARG 59 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1p4k n ASP 60 N -1.55 2.39 0.00 2.89 8.00 -1.26 -4.93 116.55 122.09 1p4k n ASP 60 Ca 0.02 -1.81 0.00 0.00 0.71 0.00 0.00 54.79 53.71 1p4k n ASP 60 Cb 0.10 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.07 1p4k n ASP 60 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1p4k n GLY 61 N 1.28 0.49 3.59 0.44 0.00 -0.18 -5.04 105.19 105.76 1p4k n GLY 61 Ca 0.17 -0.57 -0.34 0.00 0.00 0.00 0.00 46.02 45.28 1p4k n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1p4k s ARG 62 N -1.08 3.88 -0.37 1.61 0.52 -1.25 -4.81 118.95 117.43 1p4k s ARG 62 Ca 0.00 -0.40 -0.25 0.00 -0.52 0.00 0.00 55.73 54.57 1p4k s ARG 62 Cb 0.00 -3.15 0.01 0.00 0.52 0.00 0.00 34.95 32.33 1p4k s ARG 62 CO 0.00 0.23 0.86 0.08 0.02 0.00 0.00 175.30 176.49 1p4k s VAL 63 N 0.47 4.64 -0.11 3.52 1.01 -1.26 -0.97 120.40 127.70 1p4k s VAL 63 Ca 0.02 1.02 0.03 0.00 0.00 0.00 0.00 61.98 63.04 1p4k s VAL 63 Cb -0.13 -4.29 0.01 0.00 0.00 0.00 0.00 36.38 31.97 1p4k s VAL 63 CO 0.01 -0.52 -0.19 0.42 0.00 0.00 0.00 175.10 174.82 1p4k s THR 64 N 3.34 1.75 0.15 3.92 -4.23 -1.26 -4.42 115.64 114.88 1p4k s THR 64 Ca 0.35 -0.81 0.04 0.00 -1.18 0.00 0.00 61.69 60.10 1p4k s THR 64 Cb -0.12 -1.55 -0.04 0.00 1.34 0.00 0.00 72.50 72.13 1p4k s THR 64 CO 0.19 0.49 0.14 -0.76 -0.54 0.00 0.00 174.62 174.13 1p4k s LEU 65 N 0.72 3.84 -0.00 4.79 1.43 0.05 -4.52 118.68 124.99 1p4k s LEU 65 Ca -0.11 -0.09 0.03 0.00 -1.03 0.00 0.00 54.13 52.93 1p4k s LEU 65 Cb -0.16 -2.46 -0.01 0.00 0.03 0.00 0.00 46.19 43.59 1p4k s LEU 65 CO 0.02 0.09 -0.08 -1.81 0.23 0.00 0.00 176.35 174.79 1p4k s ASP 66 N -2.99 0.95 -0.03 2.29 1.01 -0.62 -1.55 116.67 115.72 1p4k s ASP 66 Ca 0.31 -0.18 -0.29 0.00 0.71 0.00 0.00 52.55 53.10 1p4k s ASP 66 Cb -0.10 -0.09 0.09 0.00 1.01 0.00 0.00 42.92 43.82 1p4k s ASP 66 CO 0.24 0.08 0.78 0.00 0.21 0.00 0.00 175.17 176.47 1p4k s ALA 67 N -0.29 -1.79 0.09 5.23 0.00 -0.18 -1.36 121.76 123.47 1p4k s ALA 67 Ca 0.02 1.18 -0.09 0.00 0.00 0.00 0.00 51.96 53.08 1p4k s ALA 67 Cb -0.04 0.05 -0.00 0.00 0.00 0.00 0.00 23.12 23.13 1p4k s ALA 67 CO -0.00 -0.48 0.20 0.00 0.00 0.00 0.00 175.76 175.47 1p4k s ILE 69 N -3.87 0.09 -0.08 0.00 2.07 -0.06 -1.48 121.20 117.86 1p4k s ILE 69 Ca 0.06 -0.72 -0.05 0.00 -1.41 0.00 0.00 60.65 58.53 1p4k s ILE 69 Cb 0.05 -0.43 0.04 0.00 0.13 0.00 0.00 42.46 42.25 1p4k s ILE 69 CO -0.10 -0.40 0.20 -0.32 -1.91 0.00 0.00 174.94 172.42 1p4k s MET 70 N -1.42 0.18 0.00 3.50 -2.45 -0.76 -1.94 119.30 116.41 1p4k s MET 70 Ca -0.15 0.41 0.00 0.00 -1.25 0.00 0.00 55.69 54.70 1p4k s MET 70 Cb -0.08 -0.06 0.00 0.00 1.25 0.00 0.00 34.83 35.94 1p4k s MET 70 CO 0.01 -0.12 0.00 -0.40 1.05 0.00 0.00 175.02 175.56 1p4k n ASP 71 N 3.83 0.00 0.00 1.11 5.75 -0.78 -1.32 116.55 125.14 1p4k n ASP 71 Ca -0.22 -0.60 0.16 0.00 -0.01 0.00 0.00 54.79 54.12 1p4k n ASP 71 Cb 0.54 0.00 0.92 0.00 -1.03 0.00 0.00 41.12 41.55 1p4k n ASP 71 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1p4k n GLU 72 N -0.60 0.93 -2.60 0.11 0.00 -0.94 -3.96 120.64 113.57 1p4k n GLU 72 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 57.16 57.04 1p4k n GLU 72 Cb 0.00 -1.50 0.03 0.00 0.00 0.00 0.00 31.44 29.97 1p4k n GLU 72 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1p4k n ASN 73 N -1.03 2.47 -1.64 -1.84 5.15 -1.26 -4.43 115.26 112.67 1p4k n ASN 73 Ca 0.23 -2.86 -0.18 0.00 -0.60 0.00 0.00 54.58 51.16 1p4k n ASN 73 Cb 0.12 -0.49 -0.07 0.00 -0.53 0.00 0.00 39.78 38.82 1p4k n ASN 73 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1p4k n TYR 74 N -0.33 -0.28 -3.27 1.20 4.02 -1.25 -4.97 117.16 112.28 1p4k n TYR 74 Ca 0.18 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.69 1p4k n TYR 74 Cb 0.80 -3.20 -0.06 0.00 -0.02 0.00 0.00 39.34 36.85 1p4k n TYR 74 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 1p4k s ASN 75 N -2.46 7.06 0.03 7.72 0.02 -1.26 -4.96 114.94 121.09 1p4k s ASN 75 Ca 0.00 1.26 -0.02 0.00 -1.02 0.00 0.00 52.86 53.08 1p4k s ASN 75 Cb 0.00 -2.36 -0.02 0.00 0.02 0.00 0.00 41.25 38.89 1p4k s ASN 75 CO 0.00 0.26 0.02 0.27 0.02 0.00 0.00 177.10 177.66 1p4k s ILE 76 N -1.14 0.15 -0.12 0.60 -4.36 -1.26 -1.87 121.20 113.20 1p4k s ILE 76 Ca 0.30 -1.22 -0.14 0.00 -0.26 0.00 0.00 60.65 59.32 1p4k s ILE 76 Cb -0.19 -0.83 0.04 0.00 1.25 0.00 0.00 42.46 42.72 1p4k s ILE 76 CO 0.19 -0.67 0.38 -0.83 0.24 0.00 0.00 174.94 174.25 1p4k s GLY 77 N -2.10 -0.27 -0.09 6.27 0.00 -0.82 -4.07 107.32 106.25 1p4k s GLY 77 Ca -0.06 0.95 -0.17 0.00 0.00 0.00 0.00 44.72 45.44 1p4k s GLY 77 CO -0.05 0.78 0.41 -0.45 0.00 0.00 0.00 173.10 173.79 1p4k s SER 78 N -0.14 -0.37 0.02 1.64 0.15 0.02 -0.88 113.70 114.14 1p4k s SER 78 Ca -0.03 0.53 0.04 0.00 0.70 0.00 0.00 55.95 57.19 1p4k s SER 78 Cb -0.03 0.61 -0.01 0.00 -1.71 0.00 0.00 66.02 64.87 1p4k s SER 78 CO 0.02 -0.32 -0.11 0.68 1.20 0.00 0.00 173.24 174.71 1p4k s VAL 79 N -0.55 0.86 0.01 4.45 -7.23 0.16 -1.78 120.40 116.32 1p4k s VAL 79 Ca -0.07 -0.71 0.01 0.00 -1.81 0.00 0.00 61.98 59.40 1p4k s VAL 79 Cb -0.04 -0.77 -0.01 0.00 0.56 0.00 0.00 36.38 36.13 1p4k s VAL 79 CO 0.03 0.06 -0.03 0.00 -0.31 0.00 0.00 175.10 174.86 1p4k s ALA 80 N -0.59 0.19 -1.31 1.32 0.00 -0.88 -1.01 121.76 119.47 1p4k s ALA 80 Ca 0.01 -0.37 -0.03 0.00 0.00 0.00 0.00 51.96 51.58 1p4k s ALA 80 Cb -0.06 0.05 -0.00 0.00 0.00 0.00 0.00 23.12 23.10 1p4k s ALA 80 CO 0.00 -0.05 0.62 0.00 0.00 0.00 0.00 175.76 176.33 1p4k s MET 82 N -6.13 3.47 0.26 0.00 0.00 -0.60 -2.99 119.30 113.31 1p4k s MET 82 Ca 0.07 -0.39 0.08 0.00 0.00 0.00 0.00 55.69 55.45 1p4k s MET 82 Cb -0.02 -2.98 -0.04 0.00 0.00 0.00 0.00 34.83 31.79 1p4k s MET 82 CO 0.84 0.48 0.14 -1.21 0.00 0.00 0.00 175.02 175.28 1p4k s GLU 83 N -0.26 2.74 0.00 4.11 2.02 -1.26 -0.77 118.70 125.27 1p4k s GLU 83 Ca 0.07 -1.17 0.00 0.00 0.02 0.00 0.00 54.97 53.89 1p4k s GLU 83 Cb -0.12 -2.44 0.00 0.00 0.10 0.00 0.00 34.13 31.67 1p4k s GLU 83 CO 0.02 0.38 0.00 0.72 0.02 0.00 0.00 175.26 176.40 1p4k n HIS 84 N -1.10 0.00 -3.97 1.61 8.25 -1.26 -4.83 115.22 113.91 1p4k n HIS 84 Ca -0.07 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.04 1p4k n HIS 84 Cb 0.58 -0.89 -0.15 0.00 1.12 0.00 0.00 29.99 30.66 1p4k n HIS 84 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1p4k s ILE 85 N -2.21 2.94 0.40 1.59 -1.09 -1.26 -0.31 121.20 121.26 1p4k s ILE 85 Ca 0.00 -0.74 0.11 0.00 -2.23 0.00 0.00 60.65 57.79 1p4k s ILE 85 Cb 0.00 -2.36 0.16 0.00 -1.58 0.00 0.00 42.46 38.68 1p4k s ILE 85 CO 0.00 0.39 1.93 0.50 -1.23 0.00 0.00 174.94 176.53 1p4k h LYS 86 N 8.05 0.17 -2.86 2.79 3.64 -1.91 -3.35 116.57 123.10 1p4k h LYS 86 Ca -0.40 -0.04 -0.65 0.00 -1.27 0.00 0.00 60.65 58.29 1p4k h LYS 86 Cb 1.14 -0.02 -0.40 0.00 -0.41 0.00 0.00 32.23 32.54 1p4k h LYS 86 CO 0.60 0.33 -0.38 0.09 -2.27 0.00 0.00 179.45 177.83 1p4k n ASN 87 N -4.28 3.74 0.26 4.20 3.02 -1.26 -4.33 115.26 116.61 1p4k n ASN 87 Ca -0.01 -3.28 0.11 0.00 -0.03 0.00 0.00 54.58 51.36 1p4k n ASN 87 Cb 0.27 -0.83 0.69 0.00 -0.61 0.00 0.00 39.78 39.29 1p4k n ASN 87 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1p4k h PRO 88 N 5.16 0.00 -0.36 3.52 0.13 -1.96 -1.96 132.00 136.53 1p4k h PRO 88 Ca 0.17 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.29 1p4k h PRO 88 Cb 0.73 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.84 1p4k h PRO 88 CO 0.83 0.11 0.17 0.97 -0.23 0.00 0.00 178.00 179.84 1p4k h ILE 89 N 0.00 1.13 0.00 -3.56 6.09 -1.91 0.14 117.51 119.40 1p4k h ILE 89 Ca -0.00 -0.38 -0.16 0.00 -1.37 0.00 0.00 64.86 62.95 1p4k h ILE 89 Cb 0.24 0.68 -0.02 0.00 0.47 0.00 0.00 36.82 38.18 1p4k h ILE 89 CO 0.01 0.15 -0.78 0.28 -3.07 0.00 0.00 178.15 174.75 1p4k h SER 90 N 0.51 0.00 -0.23 2.19 0.02 -1.74 -1.48 113.55 112.82 1p4k h SER 90 Ca 0.13 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.89 1p4k h SER 90 Cb 0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1p4k h SER 90 CO -0.02 0.78 -0.57 0.58 -1.14 0.00 0.00 176.83 176.46 1p4k h VAL 91 N 0.00 1.28 -0.95 2.27 2.07 -1.15 -1.58 116.25 118.19 1p4k h VAL 91 Ca -0.01 -1.77 0.03 0.00 0.82 0.00 0.00 66.70 65.77 1p4k h VAL 91 Cb 1.44 1.68 -0.05 0.00 -1.52 0.00 0.00 31.29 32.84 1p4k h VAL 91 CO 0.10 0.57 0.62 0.00 0.02 0.00 0.00 177.57 178.88 1p4k h ALA 92 N 0.71 1.24 -0.43 1.67 0.00 -0.57 0.17 119.26 122.05 1p4k h ALA 92 Ca 0.01 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1p4k h ALA 92 Cb 1.18 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1p4k h ALA 92 CO 0.12 0.53 0.05 -0.09 0.00 0.00 0.00 179.25 179.87 1p4k h ARG 93 N 1.23 0.66 -0.35 0.00 2.43 -1.00 -1.13 114.38 116.21 1p4k h ARG 93 Ca 0.37 -0.14 -0.13 0.00 -0.81 0.00 0.00 59.98 59.27 1p4k h ARG 93 Cb -0.05 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 1p4k h ARG 93 CO -0.11 0.64 -0.32 0.00 -1.51 0.00 0.00 179.97 178.68 1p4k h ALA 94 N 1.43 0.77 -0.44 2.80 0.00 -0.18 -0.14 119.26 123.50 1p4k h ALA 94 Ca 0.14 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1p4k h ALA 94 Cb 0.32 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1p4k h ALA 94 CO 0.01 0.65 0.26 0.28 0.00 0.00 0.00 179.25 180.45 1p4k h VAL 95 N 0.65 1.14 0.45 0.00 2.07 0.02 0.19 116.25 120.77 1p4k h VAL 95 Ca 0.07 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 1p4k h VAL 95 Cb 0.85 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1p4k h VAL 95 CO 0.07 0.15 -0.25 -0.03 0.02 0.00 0.00 177.57 177.53 1p4k h MET 96 N 0.58 -0.63 0.00 1.57 -1.53 -0.98 -2.97 114.93 110.97 1p4k h MET 96 Ca 0.16 0.04 -0.18 0.00 -3.44 0.00 0.00 59.70 56.28 1p4k h MET 96 Cb 0.01 0.14 -0.03 0.00 -0.55 0.00 0.00 31.60 31.18 1p4k h MET 96 CO -0.03 -0.42 -0.83 0.93 0.14 0.00 0.00 176.91 176.70 1p4k h GLU 97 N -0.65 0.00 -0.09 0.39 5.08 -0.94 -3.39 114.58 114.98 1p4k h GLU 97 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1p4k h GLU 97 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1p4k h GLU 97 CO 0.07 0.83 0.00 1.63 -1.00 0.00 0.00 179.01 180.55 1p4k n LYS 98 N -3.36 1.10 -4.23 2.33 4.76 0.64 -5.03 118.16 114.37 1p4k n LYS 98 Ca 0.00 -1.38 -0.13 0.00 -2.87 0.00 0.00 58.31 53.93 1p4k n LYS 98 Cb 0.85 -1.23 -0.10 0.00 -1.84 0.00 0.00 35.03 32.71 1p4k n LYS 98 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1p4k s THR 99 N -0.97 0.43 -2.09 -0.18 -4.23 -1.12 -5.01 115.64 102.45 1p4k s THR 99 Ca 0.16 -1.97 0.14 0.00 -1.18 0.00 0.00 61.69 58.84 1p4k s THR 99 Cb 0.10 -2.23 0.35 0.00 1.34 0.00 0.00 72.50 72.06 1p4k s THR 99 CO 0.15 -0.34 1.37 -2.65 -0.54 0.00 0.00 174.62 172.61 1p4k n PRO 100 N -0.25 1.67 -3.93 3.99 -0.02 -1.26 -4.83 135.00 130.37 1p4k n PRO 100 Ca -0.04 -1.03 -0.24 0.00 -2.02 0.00 0.00 63.50 60.18 1p4k n PRO 100 Cb 0.64 -1.29 -0.05 0.00 -0.02 0.00 0.00 33.50 32.77 1p4k n PRO 100 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1p4k s HIS 101 N -1.69 2.56 0.00 6.00 3.76 -1.26 -5.06 115.29 119.61 1p4k s HIS 101 Ca 0.25 -0.58 0.00 0.00 -0.15 0.00 0.00 55.06 54.58 1p4k s HIS 101 Cb 0.13 -2.02 0.00 0.00 1.11 0.00 0.00 32.58 31.80 1p4k s HIS 101 CO 0.19 0.04 0.25 1.33 -0.85 0.00 0.00 174.74 175.69 1p4k n VAL 102 N -1.38 0.00 -3.68 -0.90 0.24 -1.26 -4.49 118.33 106.86 1p4k n VAL 102 Ca 0.00 -0.44 -0.09 0.00 -2.04 0.00 0.00 64.34 61.77 1p4k n VAL 102 Cb 0.64 1.07 -0.10 0.00 -1.47 0.00 0.00 33.84 33.97 1p4k n VAL 102 CO 0.00 0.00 0.00 -0.32 -2.14 0.00 0.00 176.83 174.37 1p4k s MET 103 N -0.38 0.44 -0.02 7.34 -2.45 -1.26 -0.80 119.30 122.17 1p4k s MET 103 Ca 0.00 0.91 0.05 0.00 -1.25 0.00 0.00 55.69 55.40 1p4k s MET 103 Cb 0.00 0.06 -0.01 0.00 1.25 0.00 0.00 34.83 36.13 1p4k s MET 103 CO 0.00 -0.17 -0.18 -0.51 1.05 0.00 0.00 175.02 175.22 1p4k s LEU 104 N 1.60 2.02 0.18 4.11 1.43 -0.74 -5.00 118.68 122.28 1p4k s LEU 104 Ca -0.09 -0.32 0.03 0.00 -1.03 0.00 0.00 54.13 52.72 1p4k s LEU 104 Cb -0.08 -0.92 -0.05 0.00 0.03 0.00 0.00 46.19 45.17 1p4k s LEU 104 CO -0.14 0.21 -0.04 0.68 0.23 0.00 0.00 176.35 177.29 1p4k s VAL 105 N -0.36 0.98 0.00 -1.59 -7.23 -1.26 -2.08 120.40 108.86 1p4k s VAL 105 Ca 0.05 -2.03 0.00 0.00 -1.81 0.00 0.00 61.98 58.20 1p4k s VAL 105 Cb -0.07 -2.07 0.00 0.00 0.56 0.00 0.00 36.38 34.80 1p4k s VAL 105 CO -0.00 -0.55 0.00 0.61 -0.31 0.00 0.00 175.10 174.85 1p4k n GLY 106 N -0.27 1.71 0.28 2.32 0.00 -0.65 -3.10 105.19 105.47 1p4k n GLY 106 Ca -0.08 -0.50 0.07 0.00 0.00 0.00 0.00 46.02 45.52 1p4k n GLY 106 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1p4k h ASP 107 N 7.85 -0.03 -0.29 1.61 3.45 -1.93 -0.13 116.42 126.95 1p4k h ASP 107 Ca 0.00 0.16 0.04 0.00 0.43 0.00 0.00 57.03 57.66 1p4k h ASP 107 Cb 0.00 0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.98 1p4k h ASP 107 CO 0.00 -0.08 0.20 1.23 -1.57 0.00 0.00 179.24 179.02 1p4k h GLY 108 N 0.24 0.25 1.00 2.75 0.00 -1.96 0.27 103.07 105.61 1p4k h GLY 108 Ca 0.45 -0.09 -0.12 0.00 0.00 0.00 0.00 47.33 47.57 1p4k h GLY 108 CO -0.56 0.07 -0.25 0.00 0.00 0.00 0.00 176.54 175.80 1p4k h ALA 109 N 1.84 0.48 -0.34 3.60 0.00 -0.95 -1.97 119.26 121.92 1p4k h ALA 109 Ca 0.12 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 1p4k h ALA 109 Cb 0.23 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1p4k h ALA 109 CO -0.02 0.47 -0.00 1.25 0.00 0.00 0.00 179.25 180.94 1p4k h LEU 110 N 0.53 0.58 -0.79 0.00 5.85 -1.13 -1.10 115.31 119.24 1p4k h LEU 110 Ca 0.06 -0.31 0.05 0.00 0.84 0.00 0.00 57.88 58.52 1p4k h LEU 110 Cb 0.82 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.63 1p4k h LEU 110 CO 0.07 0.75 0.49 -0.33 -0.34 0.00 0.00 178.44 179.08 1p4k h GLU 111 N 0.40 0.90 -0.03 1.25 5.08 -0.93 0.24 114.58 121.47 1p4k h GLU 111 Ca 0.09 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1p4k h GLU 111 Cb 0.45 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 1p4k h GLU 111 CO 0.02 0.59 0.00 0.35 -1.00 0.00 0.00 179.01 178.97 1p4k h PHE 112 N 0.92 0.06 -0.62 4.33 3.57 -1.20 -1.76 116.94 122.24 1p4k h PHE 112 Ca 0.34 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.95 1p4k h PHE 112 Cb 0.11 -0.02 -0.09 0.00 2.79 0.00 0.00 35.95 38.73 1p4k h PHE 112 CO -0.04 0.33 0.10 0.00 -2.23 0.00 0.00 178.31 176.47 1p4k h ALA 113 N 0.73 0.71 -0.76 2.41 0.00 -0.63 -0.36 119.26 121.36 1p4k h ALA 113 Ca 0.01 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1p4k h ALA 113 Cb 0.30 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1p4k h ALA 113 CO 0.00 -0.34 0.38 -0.07 0.00 0.00 0.00 179.25 179.22 1p4k h LEU 114 N 0.21 0.99 -2.47 0.00 3.38 -0.81 -1.12 115.31 115.49 1p4k h LEU 114 Ca 0.33 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 1p4k h LEU 114 Cb 0.52 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1p4k h LEU 114 CO -0.46 0.83 -0.02 0.77 0.09 0.00 0.00 178.44 179.66 1p4k h SER 115 N 1.07 0.00 -0.24 -0.43 4.64 -0.19 -0.87 113.55 117.53 1p4k h SER 115 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1p4k h SER 115 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1p4k h SER 115 CO -0.04 0.02 0.00 0.00 -0.87 0.00 0.00 176.83 175.94 1p4k n GLN 116 N -3.27 2.06 -0.34 4.77 1.13 -0.48 -4.94 117.38 116.31 1p4k n GLN 116 Ca -0.02 -1.60 0.00 0.00 -1.94 0.00 0.00 57.00 53.44 1p4k n GLN 116 Cb 0.14 -1.45 0.00 0.00 0.11 0.00 0.00 30.24 29.05 1p4k n GLN 116 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1p4k n GLY 117 N 1.29 0.67 3.77 1.08 0.00 -0.33 -5.06 105.19 106.62 1p4k n GLY 117 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1p4k n GLY 117 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1p4k s PHE 118 N -2.66 2.59 -0.16 1.61 0.40 -0.84 -4.99 117.98 113.93 1p4k s PHE 118 Ca 0.00 1.54 -0.09 0.00 -0.60 0.00 0.00 56.93 57.78 1p4k s PHE 118 Cb 0.00 -3.34 -0.05 0.00 0.51 0.00 0.00 43.02 40.14 1p4k s PHE 118 CO 0.00 -1.75 0.14 0.15 0.70 0.00 0.00 175.22 174.45 1p4k s LYS 119 N -3.30 3.82 0.17 0.44 -0.14 -1.26 -4.45 119.74 115.02 1p4k s LYS 119 Ca 0.74 -0.17 -0.30 0.00 -1.36 0.00 0.00 55.97 54.88 1p4k s LYS 119 Cb -0.26 -3.31 -0.08 0.00 -1.68 0.00 0.00 37.83 32.51 1p4k s LYS 119 CO 0.29 0.54 1.24 0.21 -0.76 0.00 0.00 175.35 176.86 1p4k s LYS 120 N -0.33 4.45 0.06 1.68 2.20 -1.26 -4.61 119.74 121.92 1p4k s LYS 120 Ca 0.12 1.92 -0.08 0.00 -0.36 0.00 0.00 55.97 57.57 1p4k s LYS 120 Cb -0.12 -3.24 -0.00 0.00 -1.51 0.00 0.00 37.83 32.96 1p4k s LYS 120 CO 0.01 -0.17 0.16 -1.21 -0.36 0.00 0.00 175.35 173.78 1p4k s GLU 121 N 0.00 0.72 -0.51 4.03 2.02 0.57 -5.03 118.70 120.50 1p4k s GLU 121 Ca 0.55 -0.79 -0.24 0.00 0.02 0.00 0.00 54.97 54.50 1p4k s GLU 121 Cb -0.34 0.29 0.04 0.00 0.10 0.00 0.00 34.13 34.22 1p4k s GLU 121 CO 0.36 -0.21 0.92 1.21 0.02 0.00 0.00 175.26 177.57 1p4k s ASN 122 N -2.39 6.40 0.01 -0.19 3.84 -1.26 -4.36 114.94 116.99 1p4k s ASN 122 Ca -0.01 -0.17 0.27 0.00 0.21 0.00 0.00 52.86 53.16 1p4k s ASN 122 Cb 0.01 -2.44 0.91 0.00 -0.55 0.00 0.00 41.25 39.19 1p4k s ASN 122 CO -0.07 -1.14 1.70 0.18 -2.79 0.00 0.00 177.10 174.98 1p4k n LEU 123 N 7.30 0.24 -4.54 3.21 4.77 -1.26 -4.73 117.00 121.98 1p4k n LEU 123 Ca 0.03 0.29 -0.43 0.00 -0.03 0.00 0.00 56.01 55.88 1p4k n LEU 123 Cb 0.48 -0.39 -0.04 0.00 -2.33 0.00 0.00 43.42 41.14 1p4k n LEU 123 CO 0.63 0.04 0.77 -0.22 -1.33 0.00 0.00 177.39 177.29 1p4k s LEU 124 N -3.07 4.02 0.66 2.23 2.96 -1.26 -2.43 118.68 121.79 1p4k s LEU 124 Ca 0.13 -0.13 -0.11 0.00 -0.22 0.00 0.00 54.13 53.80 1p4k s LEU 124 Cb 0.18 -3.00 -0.01 0.00 0.50 0.00 0.00 46.19 43.86 1p4k s LEU 124 CO 0.60 -1.17 1.06 0.42 -1.32 0.00 0.00 176.35 175.95 1p4k s THR 125 N 3.94 4.12 0.28 3.68 -4.23 -1.26 -4.85 115.64 117.31 1p4k s THR 125 Ca 0.34 0.69 -0.00 0.00 -1.18 0.00 0.00 61.69 61.53 1p4k s THR 125 Cb -0.11 -3.67 0.28 0.00 1.34 0.00 0.00 72.50 70.33 1p4k s THR 125 CO 0.23 -0.90 1.88 0.00 -0.54 0.00 0.00 174.62 175.28 1p4k h ALA 126 N -0.49 1.47 -0.53 3.99 0.00 -1.99 -0.97 119.26 120.74 1p4k h ALA 126 Ca -0.44 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1p4k h ALA 126 Cb 1.22 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1p4k h ALA 126 CO 0.63 0.36 0.26 1.49 0.00 0.00 0.00 179.25 181.98 1p4k h GLU 127 N 1.09 0.76 -0.36 0.00 4.81 -1.99 -0.88 114.58 118.01 1p4k h GLU 127 Ca 0.44 -0.11 -0.14 0.00 -0.13 0.00 0.00 59.36 59.42 1p4k h GLU 127 Cb 0.28 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1p4k h GLU 127 CO -0.19 0.62 -0.34 0.77 -0.73 0.00 0.00 179.01 179.14 1p4k h SER 128 N 0.71 0.86 -0.51 1.04 0.02 -1.69 -1.81 113.55 112.16 1p4k h SER 128 Ca 0.18 -0.37 -0.02 0.00 -0.84 0.00 0.00 61.79 60.74 1p4k h SER 128 Cb 0.11 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 1p4k h SER 128 CO -0.02 1.12 0.23 -0.08 -1.14 0.00 0.00 176.83 176.93 1p4k h GLU 129 N 0.68 0.75 0.19 3.45 4.81 -1.02 -0.48 114.58 122.96 1p4k h GLU 129 Ca 0.07 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1p4k h GLU 129 Cb 0.90 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.15 1p4k h GLU 129 CO 0.08 0.65 -0.11 -0.22 -0.73 0.00 0.00 179.01 178.68 1p4k h LYS 130 N 0.69 -0.28 -0.73 1.92 3.64 -1.02 -1.23 116.57 119.55 1p4k h LYS 130 Ca 0.17 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1p4k h LYS 130 Cb 0.16 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.00 1p4k h LYS 130 CO -0.02 -0.19 0.46 0.93 -2.27 0.00 0.00 179.45 178.37 1p4k h GLU 131 N -0.29 0.98 -0.09 1.90 5.08 -1.21 -1.46 114.58 119.50 1p4k h GLU 131 Ca -0.02 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1p4k h GLU 131 Cb 0.24 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 1p4k h GLU 131 CO 0.02 0.67 0.01 2.35 -1.00 0.00 0.00 179.01 181.07 1p4k h TRP 132 N 1.00 0.15 -0.56 4.33 7.01 -0.79 0.33 115.95 127.43 1p4k h TRP 132 Ca 0.27 -0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.24 1p4k h TRP 132 Cb -0.08 -0.04 -0.03 0.00 -2.10 0.00 0.00 29.16 26.91 1p4k h TRP 132 CO 0.00 0.35 0.33 0.87 -2.79 0.00 0.00 178.44 177.21 1p4k h LYS 133 N -0.09 0.75 -0.34 2.65 1.57 -0.95 -0.43 116.57 119.72 1p4k h LYS 133 Ca 0.03 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 1p4k h LYS 133 Cb 0.28 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1p4k h LYS 133 CO 0.00 0.53 -0.08 1.49 -0.57 0.00 0.00 179.45 180.82 1p4k h GLU 134 N 0.77 0.65 -0.58 3.15 4.57 -1.06 -2.97 114.58 119.11 1p4k h GLU 134 Ca 0.20 -0.25 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 1p4k h GLU 134 Cb -0.03 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.50 1p4k h GLU 134 CO -0.04 0.82 0.32 2.35 -1.18 0.00 0.00 179.01 181.28 1p4k h TRP 135 N 0.44 0.77 -0.23 0.92 7.01 -0.02 -2.74 115.95 122.09 1p4k h TRP 135 Ca 0.09 -0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.15 1p4k h TRP 135 Cb 0.58 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 27.38 1p4k h TRP 135 CO 0.05 0.53 0.23 -0.07 -2.79 0.00 0.00 178.44 176.39 1p4k h LEU 136 N 0.80 0.00 -0.88 0.65 3.38 -0.94 -0.84 115.31 117.47 1p4k h LEU 136 Ca 0.21 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.31 1p4k h LEU 136 Cb 0.01 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.67 1p4k h LEU 136 CO -0.03 0.00 0.49 0.11 0.09 0.00 0.00 178.44 179.10 1p4k h LYS 137 N 0.00 0.71 0.00 1.13 1.57 -1.57 -3.23 116.57 115.18 1p4k h LYS 137 Ca 0.11 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1p4k h LYS 137 Cb 0.56 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1p4k h LYS 137 CO -0.00 0.47 -0.76 0.25 -0.57 0.00 0.00 179.45 178.83 1p4k n THR 138 N -4.80 0.00 -3.97 -0.16 -2.24 -1.05 -5.04 114.28 97.02 1p4k n THR 138 Ca 0.17 -0.18 -0.27 0.00 -2.27 0.00 0.00 64.05 61.50 1p4k n THR 138 Cb 0.40 0.63 -0.02 0.00 -2.10 0.00 0.00 70.33 69.24 1p4k n THR 138 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1p4k n SER 139 N -1.40 -0.68 -4.50 3.42 7.64 -0.35 -4.93 113.62 112.83 1p4k n SER 139 Ca -0.00 -1.05 -0.43 0.00 1.01 0.00 0.00 58.87 58.41 1p4k n SER 139 Cb 0.05 -2.89 -0.09 0.00 -1.01 0.00 0.00 64.21 60.27 1p4k n SER 139 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1p4k s GLN 140 N -6.62 3.19 -0.38 1.43 -1.52 -1.26 -5.03 119.66 109.47 1p4k s GLN 140 Ca 0.05 -0.68 -0.23 0.00 -1.95 0.00 0.00 55.36 52.55 1p4k s GLN 140 Cb -0.02 -3.93 0.01 0.00 -0.22 0.00 0.00 33.01 28.85 1p4k s GLN 140 CO 0.90 -0.79 0.80 -0.47 -0.25 0.00 0.00 175.29 175.48 1p4k s TYR 141 N 2.13 3.08 -0.42 0.91 5.04 -1.26 -4.96 117.35 121.87 1p4k s TYR 141 Ca 0.12 0.51 0.05 0.00 -2.44 0.00 0.00 57.07 55.31 1p4k s TYR 141 Cb -0.17 -3.49 0.19 0.00 0.35 0.00 0.00 41.96 38.84 1p4k s TYR 141 CO 0.13 -0.79 0.42 1.63 -1.34 0.00 0.00 175.55 175.60 1p4k n LYS 142 N 6.53 0.32 -1.47 4.97 5.02 -1.26 -5.11 118.16 127.15 1p4k n LYS 142 Ca 0.03 -3.04 -0.53 0.00 -2.02 0.00 0.00 58.31 52.75 1p4k n LYS 142 Cb 0.48 -1.57 -0.08 0.00 -0.02 0.00 0.00 35.03 33.85 1p4k n LYS 142 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1p4k n PRO 143 N 2.57 0.98 -5.16 1.97 -0.02 -1.26 -4.97 135.00 129.10 1p4k n PRO 143 Ca 0.27 0.29 -0.32 0.00 -2.02 0.00 0.00 63.50 61.72 1p4k n PRO 143 Cb 0.50 -2.27 -0.16 0.00 -0.02 0.00 0.00 33.50 31.54 1p4k n PRO 143 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1p4k s ILE 144 N 6.37 2.24 -0.21 4.25 2.07 -1.26 -5.05 121.20 129.61 1p4k s ILE 144 Ca 1.09 -0.98 -0.04 0.00 -1.41 0.00 0.00 60.65 59.31 1p4k s ILE 144 Cb -0.98 -1.85 -0.01 0.00 0.13 0.00 0.00 42.46 39.75 1p4k s ILE 144 CO 0.54 0.56 -0.03 -0.69 -1.91 0.00 0.00 174.94 173.41 1p4k s VAL 145 N 0.09 3.56 0.00 4.00 1.01 -1.26 -0.54 120.40 127.26 1p4k s VAL 145 Ca -0.10 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1p4k s VAL 145 Cb -0.16 -2.61 0.00 0.00 0.00 0.00 0.00 36.38 33.61 1p4k s VAL 145 CO 0.06 0.43 0.00 -0.46 0.00 0.00 0.00 175.10 175.13 1p4k n ASN 146 N 4.51 0.00 -0.27 3.32 2.04 -0.70 -4.92 115.26 119.24 1p4k n ASN 146 Ca -0.18 0.00 0.26 0.00 -0.44 0.00 0.00 54.58 54.23 1p4k n ASN 146 Cb 0.51 0.00 0.62 0.00 -2.53 0.00 0.00 39.78 38.38 1p4k n ASN 146 CO 0.00 0.00 0.00 -0.29 -0.44 0.00 0.00 177.26 176.53 1p4k h ILE 147 N 0.86 0.53 -2.21 1.53 6.09 -1.89 -3.37 117.51 119.06 1p4k h ILE 147 Ca 0.00 -0.07 -0.43 0.00 -1.37 0.00 0.00 64.86 62.98 1p4k h ILE 147 Cb 0.00 0.30 0.04 0.00 0.47 0.00 0.00 36.82 37.63 1p4k h ILE 147 CO 0.00 0.04 -0.12 -1.61 -3.07 0.00 0.00 178.15 173.39 1p4k s GLU 148 N -5.23 2.70 5.65 2.19 2.02 -1.26 -4.91 118.70 119.86 1p4k s GLU 148 Ca -0.07 -0.89 0.00 0.00 0.02 0.00 0.00 54.97 54.03 1p4k s GLU 148 Cb 0.23 -2.59 0.00 0.00 0.10 0.00 0.00 34.13 31.88 1p4k s GLU 148 CO 0.79 -0.51 0.00 0.09 0.02 0.00 0.00 175.26 175.65 1p4k n ASN 149 N -2.15 0.00 -4.77 -0.19 4.13 -1.26 -4.77 115.26 106.26 1p4k n ASN 149 Ca 0.07 0.00 -0.40 0.00 1.68 0.00 0.00 54.58 55.93 1p4k n ASN 149 Cb 0.59 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.77 1p4k n ASN 149 CO 0.00 0.00 0.00 -2.28 0.28 0.00 0.00 177.26 175.26 1p4k s HIS 150 N 0.00 3.91 0.13 3.10 5.65 0.30 -4.81 115.29 123.57 1p4k s HIS 150 Ca 0.00 1.69 -0.13 0.00 0.25 0.00 0.00 55.06 56.87 1p4k s HIS 150 Cb 0.00 -2.83 0.05 0.00 -1.18 0.00 0.00 32.58 28.62 1p4k s HIS 150 CO 0.00 0.47 0.62 0.27 -0.65 0.00 0.00 174.74 175.45 1p4k n ASN 151 N 1.72 -1.11 -3.39 9.88 2.04 -1.26 -1.72 115.26 121.41 1p4k n ASN 151 Ca -0.04 -1.61 -0.07 0.00 -0.44 0.00 0.00 54.58 52.41 1p4k n ASN 151 Cb 0.48 1.82 0.00 0.00 -2.53 0.00 0.00 39.78 39.55 1p4k n ASN 151 CO 0.00 0.00 0.00 0.42 -0.44 0.00 0.00 177.26 177.24 1p4k s THR 152 N -2.28 0.00 -0.10 5.53 -4.23 -1.26 -4.76 115.64 108.54 1p4k s THR 152 Ca 0.14 -0.94 0.03 0.00 -1.18 0.00 0.00 61.69 59.73 1p4k s THR 152 Cb -0.02 -2.46 0.01 0.00 1.34 0.00 0.00 72.50 71.37 1p4k s THR 152 CO 0.04 0.00 -0.19 -0.51 -0.54 0.00 0.00 174.62 173.42 1p4k s ILE 153 N -3.01 1.74 -0.03 2.99 2.07 -1.06 -4.82 121.20 119.08 1p4k s ILE 153 Ca 0.14 -0.82 0.06 0.00 -1.41 0.00 0.00 60.65 58.62 1p4k s ILE 153 Cb -0.05 -1.53 -0.01 0.00 0.13 0.00 0.00 42.46 41.00 1p4k s ILE 153 CO 0.09 0.49 -0.21 -0.83 -1.91 0.00 0.00 174.94 172.57 1p4k s GLY 154 N 0.59 1.05 -0.01 1.50 0.00 -1.26 -1.77 107.32 107.43 1p4k s GLY 154 Ca -0.14 -0.88 0.01 0.00 0.00 0.00 0.00 44.72 43.71 1p4k s GLY 154 CO 0.05 -0.63 -0.01 -0.29 0.00 0.00 0.00 173.10 172.22 1p4k s MET 155 N -0.29 0.19 0.02 2.90 0.00 0.40 -1.82 119.30 120.71 1p4k s MET 155 Ca 0.03 -0.02 0.03 0.00 0.00 0.00 0.00 55.69 55.72 1p4k s MET 155 Cb -0.10 -0.25 -0.02 0.00 0.00 0.00 0.00 34.83 34.46 1p4k s MET 155 CO 0.01 -0.01 -0.09 0.96 0.00 0.00 0.00 175.02 175.89 1p4k s ILE 156 N 0.29 0.65 0.07 10.11 -4.36 -0.21 -0.78 121.20 126.96 1p4k s ILE 156 Ca -0.03 -0.72 -0.11 0.00 -0.26 0.00 0.00 60.65 59.54 1p4k s ILE 156 Cb -0.05 -0.62 0.01 0.00 1.25 0.00 0.00 42.46 43.05 1p4k s ILE 156 CO -0.01 -0.08 0.24 0.00 0.24 0.00 0.00 174.94 175.33 1p4k s ALA 157 N -0.74 -0.43 -0.18 2.27 0.00 -0.58 -0.87 121.76 121.22 1p4k s ALA 157 Ca -0.02 -0.32 0.01 0.00 0.00 0.00 0.00 51.96 51.63 1p4k s ALA 157 Cb -0.06 0.40 0.02 0.00 0.00 0.00 0.00 23.12 23.47 1p4k s ALA 157 CO 0.00 -0.45 -0.19 -1.17 0.00 0.00 0.00 175.76 173.95 1p4k s LEU 158 N -2.42 2.09 0.00 0.00 2.96 0.05 -1.87 118.68 119.48 1p4k s LEU 158 Ca -0.01 -0.63 -0.01 0.00 -0.22 0.00 0.00 54.13 53.26 1p4k s LEU 158 Cb 0.01 -1.45 0.12 0.00 0.50 0.00 0.00 46.19 45.38 1p4k s LEU 158 CO -0.07 -0.00 0.84 -0.90 -1.32 0.00 0.00 176.35 174.89 1p4k n ASP 159 N 4.63 1.02 0.23 3.68 5.68 -0.00 -1.44 116.55 130.34 1p4k n ASP 159 Ca -0.21 -1.89 0.16 0.00 -0.50 0.00 0.00 54.79 52.35 1p4k n ASP 159 Cb 0.50 -0.55 0.82 0.00 -1.14 0.00 0.00 41.12 40.75 1p4k n ASP 159 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1p4k h ALA 160 N -0.68 1.79 -0.00 2.12 0.00 -1.83 0.13 119.26 120.78 1p4k h ALA 160 Ca -0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1p4k h ALA 160 Cb 1.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1p4k h ALA 160 CO 0.29 -0.19 -0.08 1.04 0.00 0.00 0.00 179.25 180.31 1p4k n GLN 161 N -3.95 0.66 -0.79 0.00 6.02 -1.26 -4.89 117.38 113.18 1p4k n GLN 161 Ca 0.00 -0.18 0.00 0.00 -0.01 0.00 0.00 57.00 56.81 1p4k n GLN 161 Cb 0.24 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.00 1p4k n GLN 161 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1p4k n GLY 162 N 1.26 0.51 3.85 1.08 0.00 0.03 -5.05 105.19 106.87 1p4k n GLY 162 Ca 0.15 -0.87 -0.36 0.00 0.00 0.00 0.00 46.02 44.95 1p4k n GLY 162 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1p4k s ASN 163 N -2.79 6.14 0.12 1.61 0.01 -1.26 -4.85 114.94 113.93 1p4k s ASN 163 Ca 0.00 0.36 0.03 0.00 -0.71 0.00 0.00 52.86 52.54 1p4k s ASN 163 Cb 0.00 -1.92 -0.04 0.00 0.41 0.00 0.00 41.25 39.70 1p4k s ASN 163 CO 0.00 0.36 0.19 -0.76 -1.51 0.00 0.00 177.10 175.38 1p4k s LEU 164 N -1.27 4.10 0.19 0.60 1.43 -1.26 -0.82 118.68 121.65 1p4k s LEU 164 Ca 0.18 0.08 -0.23 0.00 -1.03 0.00 0.00 54.13 53.13 1p4k s LEU 164 Cb -0.12 -2.71 0.06 0.00 0.03 0.00 0.00 46.19 43.45 1p4k s LEU 164 CO 0.08 0.10 0.65 -0.44 0.23 0.00 0.00 176.35 176.97 1p4k s SER 165 N -2.91 -0.47 0.18 2.29 0.01 -0.78 -2.20 113.70 109.82 1p4k s SER 165 Ca 0.33 -0.19 -0.18 0.00 1.31 0.00 0.00 55.95 57.22 1p4k s SER 165 Cb -0.11 0.63 0.03 0.00 0.21 0.00 0.00 66.02 66.78 1p4k s SER 165 CO 0.26 -1.08 0.50 -0.83 0.41 0.00 0.00 173.24 172.50 1p4k s GLY 166 N -2.80 -0.16 -0.03 3.44 0.00 -0.43 -1.53 107.32 105.80 1p4k s GLY 166 Ca 0.04 -0.14 -0.14 0.00 0.00 0.00 0.00 44.72 44.49 1p4k s GLY 166 CO -0.07 -0.24 0.30 0.00 0.00 0.00 0.00 173.10 173.09 1p4k s ALA 167 N -3.85 -0.76 -0.08 3.20 0.00 0.04 -1.82 121.76 118.49 1p4k s ALA 167 Ca 0.07 0.42 -0.04 0.00 0.00 0.00 0.00 51.96 52.41 1p4k s ALA 167 Cb -0.00 -0.05 0.04 0.00 0.00 0.00 0.00 23.12 23.11 1p4k s ALA 167 CO -0.06 -0.24 0.18 0.00 0.00 0.00 0.00 175.76 175.65 1p4k s THR 169 N 1.01 0.02 0.26 0.00 -1.32 -0.73 -1.53 115.64 113.35 1p4k s THR 169 Ca -0.08 -0.15 -0.21 0.00 -1.21 0.00 0.00 61.69 60.04 1p4k s THR 169 Cb -0.09 -0.52 0.03 0.00 -1.51 0.00 0.00 72.50 70.40 1p4k s THR 169 CO -0.06 -0.08 0.74 0.28 -2.21 0.00 0.00 174.62 173.30 1p4k s THR 170 N -0.28 0.00 -1.64 5.08 -1.32 -0.46 -2.55 115.64 114.47 1p4k s THR 170 Ca -0.04 -0.93 0.15 0.00 -1.21 0.00 0.00 61.69 59.66 1p4k s THR 170 Cb -0.03 -1.97 0.29 0.00 -1.51 0.00 0.00 72.50 69.28 1p4k s THR 170 CO 0.02 0.00 1.19 -1.54 -2.21 0.00 0.00 174.62 172.07 1p4k n SER 171 N -0.46 2.84 -0.54 8.08 3.41 0.60 -1.59 113.62 125.96 1p4k n SER 171 Ca -0.05 -1.84 0.06 0.00 -0.26 0.00 0.00 58.87 56.79 1p4k n SER 171 Cb 0.59 -0.17 -0.02 0.00 -0.26 0.00 0.00 64.21 64.36 1p4k n SER 171 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1p4k n GLY 172 N 0.92 -2.05 3.68 5.00 0.00 -1.26 -4.65 105.19 106.83 1p4k n GLY 172 Ca 0.13 -1.37 -0.42 0.00 0.00 0.00 0.00 46.02 44.36 1p4k n GLY 172 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1p4k s MET 173 N -1.23 4.14 0.23 1.61 -1.94 -1.26 -4.89 119.30 115.96 1p4k s MET 173 Ca 0.00 2.60 -0.31 0.00 -1.71 0.00 0.00 55.69 56.27 1p4k s MET 173 Cb 0.00 -3.83 -0.14 0.00 2.01 0.00 0.00 34.83 32.87 1p4k s MET 173 CO 0.00 -0.89 1.38 0.00 -0.01 0.00 0.00 175.02 175.50 1p4k n ALA 174 N 6.46 0.91 -2.30 3.03 0.00 -1.26 -2.24 120.51 125.10 1p4k n ALA 174 Ca 0.19 0.42 -0.18 0.00 0.00 0.00 0.00 53.44 53.86 1p4k n ALA 174 Cb 0.39 -2.25 -0.01 0.00 0.00 0.00 0.00 19.45 17.58 1p4k n ALA 174 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1p4k n TYR 175 N 1.88 -0.81 -1.09 0.00 0.53 0.45 -4.93 117.16 113.19 1p4k n TYR 175 Ca 0.12 0.00 -0.30 0.00 -1.02 0.00 0.00 57.90 56.70 1p4k n TYR 175 Cb 0.31 -3.54 0.15 0.00 -1.03 0.00 0.00 39.34 35.23 1p4k n TYR 175 CO 0.00 0.00 0.00 -1.59 -1.02 0.00 0.00 176.86 174.25 1p4k s LYS 176 N -4.83 0.98 0.49 -0.72 -2.85 -0.95 -3.73 119.74 108.14 1p4k s LYS 176 Ca 0.00 0.88 -0.22 0.00 -1.00 0.00 0.00 55.97 55.62 1p4k s LYS 176 Cb 0.00 -1.77 -0.07 0.00 -2.06 0.00 0.00 37.83 33.93 1p4k s LYS 176 CO 0.00 -2.44 1.20 -1.64 0.10 0.00 0.00 175.35 172.56 1p4k s MET 177 N -4.86 3.56 0.21 1.78 -1.94 -1.26 -0.63 119.30 116.15 1p4k s MET 177 Ca 0.64 1.84 -0.32 0.00 -1.71 0.00 0.00 55.69 56.14 1p4k s MET 177 Cb -0.19 -2.31 -0.13 0.00 2.01 0.00 0.00 34.83 34.21 1p4k s MET 177 CO 0.58 -0.74 1.62 1.58 -0.01 0.00 0.00 175.02 178.05 1p4k n HIS 178 N -0.74 2.54 -0.37 -0.03 -0.00 -1.26 -1.46 115.22 113.90 1p4k n HIS 178 Ca 0.09 0.19 0.00 0.00 0.46 0.00 0.00 57.72 58.46 1p4k n HIS 178 Cb 0.48 -2.59 0.00 0.00 -0.12 0.00 0.00 29.99 27.75 1p4k n HIS 178 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1p4k n GLY 179 N 3.32 0.84 3.76 1.57 0.00 -1.26 -5.04 105.19 108.38 1p4k n GLY 179 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1p4k n GLY 179 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1p4k s ARG 180 N -0.54 4.32 -0.07 1.61 3.00 -0.53 -4.97 118.95 121.77 1p4k s ARG 180 Ca 0.00 2.24 0.03 0.00 -1.00 0.00 0.00 55.73 57.00 1p4k s ARG 180 Cb 0.00 -3.09 0.01 0.00 0.00 0.00 0.00 34.95 31.87 1p4k s ARG 180 CO 0.00 -0.27 -0.15 0.08 0.00 0.00 0.00 175.30 174.96 1p4k s VAL 181 N -0.75 1.37 0.00 7.11 1.01 -1.26 -4.79 120.40 123.09 1p4k s VAL 181 Ca 0.52 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.88 1p4k s VAL 181 Cb -0.40 -1.22 0.00 0.00 0.00 0.00 0.00 36.38 34.75 1p4k s VAL 181 CO 0.50 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.61 1p4k n GLY 182 N 3.70 1.76 0.14 4.51 0.00 -1.26 -4.93 105.19 109.11 1p4k n GLY 182 Ca -0.22 -1.95 0.04 0.00 0.00 0.00 0.00 46.02 43.89 1p4k n GLY 182 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1p4k h ASP 183 N 0.00 0.00 -0.94 1.61 2.03 -1.95 -3.39 116.42 113.79 1p4k h ASP 183 Ca 0.00 0.00 0.22 0.00 -0.73 0.00 0.00 57.03 56.52 1p4k h ASP 183 Cb 0.00 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 38.43 1p4k h ASP 183 CO 0.00 0.42 0.62 0.28 -1.03 0.00 0.00 179.24 179.53 1p4k h SER 184 N 0.00 0.37 -0.37 4.15 0.02 -1.92 -0.81 113.55 115.00 1p4k h SER 184 Ca -0.02 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1p4k h SER 184 Cb 1.34 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.86 1p4k h SER 184 CO 0.05 0.13 0.00 -0.81 -1.14 0.00 0.00 176.83 175.06 1p4k n PRO 185 N -4.50 2.49 -3.50 3.45 -0.04 -1.26 -3.71 135.00 127.92 1p4k n PRO 185 Ca 0.21 -2.27 -0.40 0.00 -0.04 0.00 0.00 63.50 60.99 1p4k n PRO 185 Cb 0.77 -1.51 -0.10 0.00 -0.04 0.00 0.00 33.50 32.62 1p4k n PRO 185 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1p4k s ILE 186 N -1.50 5.26 0.13 0.52 1.01 -0.75 -4.67 121.20 121.20 1p4k s ILE 186 Ca 0.38 -0.16 -0.31 0.00 0.00 0.00 0.00 60.65 60.56 1p4k s ILE 186 Cb 0.22 -3.74 -0.10 0.00 0.01 0.00 0.00 42.46 38.85 1p4k s ILE 186 CO 0.31 -0.03 1.75 -0.63 0.00 0.00 0.00 174.94 176.34 1p4k s ILE 187 N 1.79 2.56 0.00 2.92 -1.09 -1.26 -1.10 121.20 125.03 1p4k s ILE 187 Ca 0.07 0.17 0.00 0.00 -2.23 0.00 0.00 60.65 58.67 1p4k s ILE 187 Cb -0.17 -3.11 0.00 0.00 -1.58 0.00 0.00 42.46 37.60 1p4k s ILE 187 CO 0.11 0.00 0.00 0.61 -1.23 0.00 0.00 174.94 174.43 1p4k n GLY 188 N 4.10 2.42 0.00 6.18 0.00 0.13 -4.89 105.19 113.13 1p4k n GLY 188 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1p4k n GLY 188 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p4k n ALA 189 N -1.79 0.33 0.22 4.61 0.00 -0.25 -1.35 120.51 122.27 1p4k n ALA 189 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 1p4k n ALA 189 Cb 0.00 0.00 0.50 0.00 0.00 0.00 0.00 19.45 19.95 1p4k n ALA 189 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1p4k h GLY 190 N 0.00 0.00 -5.00 0.00 0.00 -0.70 -2.71 103.07 94.65 1p4k h GLY 190 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 1p4k h GLY 190 CO 0.00 0.00 -0.13 -2.27 0.00 0.00 0.00 176.54 174.14 1p4k s LEU 191 N -7.17 0.16 -0.21 3.11 2.96 -1.25 -1.10 118.68 115.18 1p4k s LEU 191 Ca -0.01 0.85 -0.15 0.00 -0.22 0.00 0.00 54.13 54.60 1p4k s LEU 191 Cb 0.12 1.69 0.06 0.00 0.50 0.00 0.00 46.19 48.56 1p4k s LEU 191 CO 0.64 -0.24 0.53 0.12 -1.32 0.00 0.00 176.35 176.09 1p4k s PHE 192 N -0.06 -0.73 -0.06 5.38 2.19 -0.66 0.22 117.98 124.26 1p4k s PHE 192 Ca -0.03 1.58 0.01 0.00 0.33 0.00 0.00 56.93 58.83 1p4k s PHE 192 Cb -0.03 0.35 0.02 0.00 -1.31 0.00 0.00 43.02 42.05 1p4k s PHE 192 CO 0.02 -0.37 -0.05 0.08 1.83 0.00 0.00 175.22 176.72 1p4k s VAL 193 N 1.07 0.67 -0.21 3.12 1.01 -1.26 -1.11 120.40 123.69 1p4k s VAL 193 Ca -0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 61.98 61.74 1p4k s VAL 193 Cb -0.06 -0.69 0.06 0.00 0.00 0.00 0.00 36.38 35.69 1p4k s VAL 193 CO -0.10 0.27 -0.01 -0.62 0.00 0.00 0.00 175.10 174.64 1p4k s ASP 194 N 1.11 3.31 0.38 3.32 -1.08 -0.52 -4.80 116.67 118.39 1p4k s ASP 194 Ca -0.08 -0.97 0.26 0.00 -0.52 0.00 0.00 52.55 51.25 1p4k s ASP 194 Cb -0.14 -0.86 1.39 0.00 -1.46 0.00 0.00 42.92 41.85 1p4k s ASP 194 CO -0.01 -0.27 1.79 -1.13 0.52 0.00 0.00 175.17 176.07 1p4k h ASN 195 N 8.11 0.00 0.24 -0.34 -1.24 -1.81 -0.10 115.58 120.44 1p4k h ASN 195 Ca -0.17 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.84 1p4k h ASN 195 Cb 1.10 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.15 1p4k h ASN 195 CO 0.37 0.00 -0.41 -0.62 -1.29 0.00 0.00 177.43 175.48 1p4k n GLU 196 N -2.40 0.63 0.07 6.67 -0.58 -1.26 -4.74 120.64 119.03 1p4k n GLU 196 Ca -0.02 -0.41 0.00 0.00 -0.42 0.00 0.00 57.16 56.31 1p4k n GLU 196 Cb 0.04 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.42 1p4k n GLU 196 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1p4k n ILE 197 N -0.83 0.65 -2.64 -3.67 5.41 -0.17 -4.89 119.36 113.23 1p4k n ILE 197 Ca 0.09 0.22 0.00 0.00 1.00 0.00 0.00 62.75 64.06 1p4k n ILE 197 Cb 0.36 -1.09 0.00 0.00 -0.71 0.00 0.00 39.64 38.20 1p4k n ILE 197 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1p4k n GLY 198 N 2.76 -1.54 3.08 7.39 0.00 -0.48 -2.14 105.19 114.27 1p4k n GLY 198 Ca 0.00 -1.08 -0.08 0.00 0.00 0.00 0.00 46.02 44.86 1p4k n GLY 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p4k s ALA 199 N -1.26 0.51 -0.04 4.61 0.00 0.34 -1.44 121.76 124.47 1p4k s ALA 199 Ca 0.00 -1.14 -0.21 0.00 0.00 0.00 0.00 51.96 50.61 1p4k s ALA 199 Cb 0.00 0.24 0.04 0.00 0.00 0.00 0.00 23.12 23.41 1p4k s ALA 199 CO 0.00 -0.33 0.46 0.00 0.00 0.00 0.00 175.76 175.90 1p4k s ALA 200 N -3.57 -1.19 0.02 0.00 0.00 -0.27 -1.43 121.76 115.32 1p4k s ALA 200 Ca 0.04 0.79 -0.00 0.00 0.00 0.00 0.00 51.96 52.79 1p4k s ALA 200 Cb 0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.13 1p4k s ALA 200 CO -0.08 -0.30 -0.03 -0.08 0.00 0.00 0.00 175.76 175.27 1p4k s THR 201 N -1.14 0.12 0.26 0.00 -1.32 -0.87 -1.66 115.64 111.03 1p4k s THR 201 Ca -0.11 -0.94 0.10 0.00 -1.21 0.00 0.00 61.69 59.52 1p4k s THR 201 Cb -0.03 -0.30 -0.05 0.00 -1.51 0.00 0.00 72.50 70.60 1p4k s THR 201 CO 0.06 -0.51 -0.15 0.00 -2.21 0.00 0.00 174.62 171.80 1p4k s ALA 202 N -1.54 2.48 -0.08 11.08 0.00 -0.26 -1.87 121.76 131.57 1p4k s ALA 202 Ca -0.15 -1.83 -0.14 0.00 0.00 0.00 0.00 51.96 49.83 1p4k s ALA 202 Cb -0.09 -0.12 0.03 0.00 0.00 0.00 0.00 23.12 22.93 1p4k s ALA 202 CO -0.01 0.14 0.34 -0.08 0.00 0.00 0.00 175.76 176.15 1p4k s THR 203 N -2.74 0.03 -3.13 0.00 -1.32 -0.47 -4.80 115.64 103.21 1p4k s THR 203 Ca 0.28 -0.23 0.00 0.00 -1.21 0.00 0.00 61.69 60.53 1p4k s THR 203 Cb -0.02 -0.57 0.00 0.00 -1.51 0.00 0.00 72.50 70.40 1p4k s THR 203 CO 0.12 -0.12 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 1p4k n GLY 204 N 2.07 0.60 3.56 6.08 0.00 -1.26 -0.83 105.19 115.40 1p4k n GLY 204 Ca -0.17 -1.56 -0.34 0.00 0.00 0.00 0.00 46.02 43.95 1p4k n GLY 204 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1p4k s HIS 205 N -3.53 1.85 0.30 1.61 3.76 -0.12 -4.84 115.29 114.31 1p4k s HIS 205 Ca 0.00 0.52 0.06 0.00 -0.15 0.00 0.00 55.06 55.48 1p4k s HIS 205 Cb 0.00 -4.16 0.79 0.00 1.11 0.00 0.00 32.58 30.32 1p4k s HIS 205 CO 0.00 -2.02 1.68 0.78 -0.85 0.00 0.00 174.74 174.34 1p4k h GLY 206 N 16.48 1.62 0.55 -2.22 0.00 -1.93 0.10 103.07 117.66 1p4k h GLY 206 Ca -0.07 -0.16 0.16 0.00 0.00 0.00 0.00 47.33 47.26 1p4k h GLY 206 CO 1.24 -0.32 0.54 0.83 0.00 0.00 0.00 176.54 178.83 1p4k h GLU 207 N 0.36 0.48 -0.00 4.80 3.07 -1.92 -0.65 114.58 120.73 1p4k h GLU 207 Ca 0.59 -0.03 -0.18 0.00 -0.50 0.00 0.00 59.36 59.25 1p4k h GLU 207 Cb 1.18 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.97 1p4k h GLU 207 CO -0.56 0.32 -0.81 0.93 -1.40 0.00 0.00 179.01 177.48 1p4k h GLU 208 N 0.49 0.11 -0.10 2.33 4.39 -1.37 -2.33 114.58 118.11 1p4k h GLU 208 Ca 0.41 -0.11 -0.20 0.00 0.34 0.00 0.00 59.36 59.80 1p4k h GLU 208 Cb 0.88 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 1p4k h GLU 208 CO -0.16 0.86 -0.77 0.28 -1.16 0.00 0.00 179.01 178.07 1p4k h VAL 209 N 0.06 1.34 -0.24 3.13 2.07 -1.18 -2.97 116.25 118.46 1p4k h VAL 209 Ca -0.03 -2.10 -0.02 0.00 0.82 0.00 0.00 66.70 65.37 1p4k h VAL 209 Cb 1.42 2.09 -0.01 0.00 -1.52 0.00 0.00 31.29 33.27 1p4k h VAL 209 CO 0.12 0.64 0.06 0.40 0.02 0.00 0.00 177.57 178.81 1p4k h ILE 210 N 0.37 1.21 0.00 4.57 2.04 -1.14 0.55 117.51 125.11 1p4k h ILE 210 Ca -0.04 -0.68 -0.01 0.00 1.00 0.00 0.00 64.86 65.13 1p4k h ILE 210 Cb 1.36 1.21 -0.00 0.00 -0.74 0.00 0.00 36.82 38.65 1p4k h ILE 210 CO 0.14 0.22 -0.04 0.08 0.00 0.00 0.00 178.15 178.55 1p4k h ARG 211 N 0.21 0.00 -0.01 2.37 0.11 -1.42 -2.48 114.38 113.15 1p4k h ARG 211 Ca 0.07 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.15 1p4k h ARG 211 Cb 0.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.35 1p4k h ARG 211 CO 0.00 0.04 -0.21 0.25 0.10 0.00 0.00 179.97 180.15 1p4k n THR 212 N -3.23 0.00 -3.80 0.08 -2.24 -1.12 -4.98 114.28 98.99 1p4k n THR 212 Ca -0.01 -0.40 -0.23 0.00 -2.27 0.00 0.00 64.05 61.14 1p4k n THR 212 Cb 0.22 1.24 0.01 0.00 -2.10 0.00 0.00 70.33 69.70 1p4k n THR 212 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1p4k n VAL 213 N 0.24 -4.01 -0.31 2.28 0.31 0.10 -4.78 118.33 112.16 1p4k n VAL 213 Ca 0.08 -0.53 -0.08 0.00 -0.01 0.00 0.00 64.34 63.80 1p4k n VAL 213 Cb 0.35 -3.38 -0.07 0.00 -0.91 0.00 0.00 33.84 29.83 1p4k n VAL 213 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1p4k h GLY 214 N -1.85 -1.35 1.85 2.92 0.00 -1.36 -2.47 103.07 100.81 1p4k h GLY 214 Ca -0.62 0.90 -0.11 0.00 0.00 0.00 0.00 47.33 47.50 1p4k h GLY 214 CO 0.58 -0.24 -0.43 -0.91 0.00 0.00 0.00 176.54 175.54 1p4k h THR 215 N -0.00 1.32 -0.74 4.70 1.35 -1.18 -1.53 112.91 116.84 1p4k h THR 215 Ca 0.12 -1.56 -0.06 0.00 -0.55 0.00 0.00 66.41 64.35 1p4k h THR 215 Cb 0.30 1.75 -0.03 0.00 -1.73 0.00 0.00 68.15 68.44 1p4k h THR 215 CO -0.69 0.46 0.22 -0.74 -0.25 0.00 0.00 175.52 174.52 1p4k h HIS 216 N 0.14 1.20 -0.28 4.73 6.17 -1.02 -1.26 115.15 124.83 1p4k h HIS 216 Ca 0.01 -0.13 -0.01 0.00 0.71 0.00 0.00 60.37 60.96 1p4k h HIS 216 Cb 0.83 -0.34 -0.01 0.00 2.52 0.00 0.00 27.41 30.40 1p4k h HIS 216 CO 0.01 0.95 0.15 1.25 0.71 0.00 0.00 177.93 181.00 1p4k h LEU 217 N 1.10 0.35 -0.28 0.26 5.85 -1.12 0.25 115.31 121.73 1p4k h LEU 217 Ca 0.24 -0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.88 1p4k h LEU 217 Cb 0.32 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1p4k h LEU 217 CO -0.01 0.35 0.14 0.58 -0.34 0.00 0.00 178.44 179.16 1p4k h VAL 218 N 0.33 0.98 -0.64 1.05 2.07 -1.00 -0.55 116.25 118.49 1p4k h VAL 218 Ca 0.10 -0.10 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 1p4k h VAL 218 Cb 0.08 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 1p4k h VAL 218 CO -0.01 0.05 0.13 0.58 0.02 0.00 0.00 177.57 178.34 1p4k h VAL 219 N 0.29 1.26 -0.36 2.57 2.07 -1.08 -1.89 116.25 119.11 1p4k h VAL 219 Ca 0.12 -0.98 -0.05 0.00 0.82 0.00 0.00 66.70 66.61 1p4k h VAL 219 Cb 0.04 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 1p4k h VAL 219 CO -0.09 0.37 0.03 -0.08 0.02 0.00 0.00 177.57 177.82 1p4k h GLU 220 N 0.96 0.55 -0.46 1.57 4.57 -0.67 0.46 114.58 121.57 1p4k h GLU 220 Ca 0.20 -0.11 -0.12 0.00 -1.18 0.00 0.00 59.36 58.15 1p4k h GLU 220 Cb 0.40 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 1p4k h GLU 220 CO 0.01 0.56 -0.18 -0.07 -1.18 0.00 0.00 179.01 178.14 1p4k h LEU 221 N 0.53 0.95 -1.48 1.64 3.38 -0.77 -0.44 115.31 119.12 1p4k h LEU 221 Ca 0.12 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 1p4k h LEU 221 Cb 0.30 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1p4k h LEU 221 CO 0.01 1.12 0.01 0.24 0.09 0.00 0.00 178.44 179.91 1p4k h MET 222 N 0.77 0.35 -0.03 1.13 2.86 -0.53 -0.33 114.93 119.14 1p4k h MET 222 Ca 0.11 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 57.62 1p4k h MET 222 Cb 0.75 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.34 1p4k h MET 222 CO 0.06 0.37 -0.32 -0.97 1.06 0.00 0.00 176.91 177.10 1p4k h ASN 223 N 0.34 0.06 -0.29 1.22 -1.24 0.01 -2.24 115.58 113.44 1p4k h ASN 223 Ca 0.08 -0.02 -0.04 0.00 0.71 0.00 0.00 56.30 57.03 1p4k h ASN 223 Cb 0.21 -0.02 -0.03 0.00 0.73 0.00 0.00 38.32 39.22 1p4k h ASN 223 CO 0.00 0.38 0.06 0.00 -1.29 0.00 0.00 177.43 176.58 1p4k n GLN 224 N -4.14 2.49 -0.36 6.67 6.02 -0.21 -4.89 117.38 122.97 1p4k n GLN 224 Ca -0.02 -1.37 0.00 0.00 -0.01 0.00 0.00 57.00 55.60 1p4k n GLN 224 Cb 0.38 -1.78 0.00 0.00 1.02 0.00 0.00 30.24 29.86 1p4k n GLN 224 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1p4k n GLY 225 N 0.18 0.83 3.79 1.08 0.00 -0.84 -5.03 105.19 105.20 1p4k n GLY 225 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 1p4k n GLY 225 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1p4k s ARG 226 N -0.56 4.22 0.81 1.61 3.00 -0.76 -5.00 118.95 122.28 1p4k s ARG 226 Ca 0.00 1.34 -0.12 0.00 0.00 0.00 0.00 55.73 56.95 1p4k s ARG 226 Cb 0.00 -2.43 0.08 0.00 0.00 0.00 0.00 34.95 32.60 1p4k s ARG 226 CO 0.00 -0.06 1.11 0.95 0.00 0.00 0.00 175.30 177.30 1p4k s THR 227 N -1.84 2.84 0.20 0.02 -4.23 -1.26 -4.30 115.64 107.07 1p4k s THR 227 Ca 0.59 0.27 -0.10 0.00 -1.18 0.00 0.00 61.69 61.27 1p4k s THR 227 Cb -0.17 -3.05 0.13 0.00 1.34 0.00 0.00 72.50 70.75 1p4k s THR 227 CO 0.22 -0.36 1.77 -0.65 -0.54 0.00 0.00 174.62 175.06 1p4k h PRO 228 N -1.14 0.49 -0.54 3.99 0.11 -1.88 0.59 132.00 133.62 1p4k h PRO 228 Ca -0.48 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.54 1p4k h PRO 228 Cb 1.28 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 1p4k h PRO 228 CO 0.60 0.33 0.07 0.37 -0.21 0.00 0.00 178.00 179.16 1p4k h GLN 229 N 0.51 0.91 -0.53 1.05 -0.00 -1.85 -1.30 115.11 113.91 1p4k h GLN 229 Ca 0.28 -0.25 -0.09 0.00 -0.00 0.00 0.00 58.65 58.59 1p4k h GLN 229 Cb 0.27 -0.10 -0.02 0.00 0.00 0.00 0.00 27.48 27.63 1p4k h GLN 229 CO -0.23 0.89 -0.03 1.96 0.00 0.00 0.00 178.83 181.42 1p4k h GLN 230 N 0.80 0.91 -0.28 1.69 4.20 -1.81 -0.81 115.11 119.82 1p4k h GLN 230 Ca 0.16 -0.28 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 1p4k h GLN 230 Cb 0.43 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 1p4k h GLN 230 CO 0.01 0.92 0.15 0.00 -0.67 0.00 0.00 178.83 179.24 1p4k h ALA 231 N 1.13 0.35 -0.73 3.87 0.00 -0.65 0.14 119.26 123.37 1p4k h ALA 231 Ca 0.15 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1p4k h ALA 231 Cb 0.53 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1p4k h ALA 231 CO 0.03 -0.11 0.35 0.00 0.00 0.00 0.00 179.25 179.51 1p4k h LYS 233 N 1.03 0.51 -0.49 0.00 3.64 -0.85 -1.58 116.57 118.84 1p4k h LYS 233 Ca 0.25 -0.15 -0.06 0.00 -1.27 0.00 0.00 60.65 59.43 1p4k h LYS 233 Cb 0.13 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 1p4k h LYS 233 CO -0.03 0.63 0.07 0.93 -2.27 0.00 0.00 179.45 178.79 1p4k h GLU 234 N 0.32 0.77 -0.16 1.90 5.08 -0.59 -0.90 114.58 121.00 1p4k h GLU 234 Ca 0.09 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1p4k h GLU 234 Cb 0.38 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1p4k h GLU 234 CO 0.01 0.73 0.06 0.00 -1.00 0.00 0.00 179.01 178.81 1p4k h ALA 235 N 1.35 0.21 -0.54 3.43 0.00 -1.05 -2.49 119.26 120.16 1p4k h ALA 235 Ca 0.16 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1p4k h ALA 235 Cb 0.34 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1p4k h ALA 235 CO 0.01 -0.20 0.31 0.28 0.00 0.00 0.00 179.25 179.65 1p4k h VAL 236 N 0.09 1.03 0.00 0.00 2.07 -1.02 0.23 116.25 118.66 1p4k h VAL 236 Ca 0.05 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1p4k h VAL 236 Cb 0.19 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1p4k h VAL 236 CO -0.00 0.11 0.00 -0.33 0.02 0.00 0.00 177.57 177.37 1p4k h GLU 237 N 0.61 0.00 0.12 1.57 5.08 -0.97 -0.16 114.58 120.84 1p4k h GLU 237 Ca 0.22 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.30 1p4k h GLU 237 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1p4k h GLU 237 CO -0.12 0.00 -1.32 -0.09 -1.00 0.00 0.00 179.01 176.49 1p4k h ARG 238 N 0.00 0.26 -0.11 2.33 2.43 -0.51 -1.92 114.38 116.87 1p4k h ARG 238 Ca 0.00 -0.45 -0.14 0.00 -0.81 0.00 0.00 59.98 58.58 1p4k h ARG 238 Cb 0.08 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 1p4k h ARG 238 CO 0.00 1.19 -0.55 0.82 -1.51 0.00 0.00 179.97 179.92 1p4k h ILE 239 N 0.07 1.35 0.07 1.20 5.03 -0.66 -1.65 117.51 122.93 1p4k h ILE 239 Ca -0.16 -1.83 -0.00 0.00 -0.12 0.00 0.00 64.86 62.74 1p4k h ILE 239 Cb 1.98 1.87 0.00 0.00 -3.03 0.00 0.00 36.82 37.64 1p4k h ILE 239 CO 0.19 0.55 -0.03 0.58 -0.68 0.00 0.00 178.15 178.76 1p4k h VAL 240 N 0.25 1.06 -0.61 1.67 2.07 -1.02 0.44 116.25 120.11 1p4k h VAL 240 Ca 0.00 -0.46 -0.05 0.00 0.82 0.00 0.00 66.70 67.01 1p4k h VAL 240 Cb 1.04 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 32.14 1p4k h VAL 240 CO 0.09 0.11 0.17 0.07 0.02 0.00 0.00 177.57 178.03 1p4k h LYS 241 N -0.30 0.94 -0.16 1.57 2.10 -1.34 -1.55 116.57 117.83 1p4k h LYS 241 Ca -0.01 -0.19 -0.05 0.00 -2.00 0.00 0.00 60.65 58.40 1p4k h LYS 241 Cb 0.26 -0.14 -0.00 0.00 -0.90 0.00 0.00 32.23 31.45 1p4k h LYS 241 CO 0.02 0.82 -0.09 0.82 -2.00 0.00 0.00 179.45 179.01 1p4k h ILE 242 N 0.90 1.32 -0.81 0.07 2.04 -1.14 -2.15 117.51 117.74 1p4k h ILE 242 Ca 0.20 -1.17 0.10 0.00 1.00 0.00 0.00 64.86 64.99 1p4k h ILE 242 Cb 0.29 1.75 -0.07 0.00 -0.74 0.00 0.00 36.82 38.05 1p4k h ILE 242 CO -0.00 0.34 0.45 0.58 0.00 0.00 0.00 178.15 179.52 1p4k h VAL 243 N 0.00 0.88 -0.64 1.67 2.07 0.11 -1.14 116.25 119.20 1p4k h VAL 243 Ca 0.03 -0.26 -0.08 0.00 0.82 0.00 0.00 66.70 67.22 1p4k h VAL 243 Cb 0.58 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 1p4k h VAL 243 CO 0.03 0.14 0.11 -1.13 0.02 0.00 0.00 177.57 176.73 1p4k h ASN 244 N 0.75 1.02 0.31 0.57 -0.73 -1.16 -2.12 115.58 114.21 1p4k h ASN 244 Ca 0.40 -0.26 -0.02 0.00 1.87 0.00 0.00 56.30 58.29 1p4k h ASN 244 Cb 0.39 -0.27 -0.00 0.00 0.27 0.00 0.00 38.32 38.71 1p4k h ASN 244 CO -0.26 1.02 -0.10 0.03 -0.37 0.00 0.00 177.43 177.74 1p4k h ARG 245 N 0.98 0.00 -0.28 6.67 3.08 -0.55 0.01 114.38 124.28 1p4k h ARG 245 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1p4k h ARG 245 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1p4k h ARG 245 CO 0.01 0.10 0.00 0.54 -1.07 0.00 0.00 179.97 179.55 1p4k n ARG 246 N -3.69 1.76 -2.70 0.04 1.74 -0.76 -4.91 116.66 108.14 1p4k n ARG 246 Ca -0.02 -1.17 -0.18 0.00 -0.77 0.00 0.00 57.85 55.71 1p4k n ARG 246 Cb 0.21 -1.31 0.02 0.00 -1.02 0.00 0.00 32.46 30.36 1p4k n ARG 246 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1p4k n GLY 247 N 1.07 -0.34 3.87 -0.13 0.00 -0.01 -5.01 105.19 104.64 1p4k n GLY 247 Ca 0.13 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 1p4k n GLY 247 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p4k s LYS 248 N -5.29 3.03 -0.25 1.61 -0.14 -0.83 -5.05 119.74 112.81 1p4k s LYS 248 Ca 0.17 -1.02 -0.13 0.00 -1.36 0.00 0.00 55.97 53.63 1p4k s LYS 248 Cb -0.07 -2.64 -0.04 0.00 -1.68 0.00 0.00 37.83 33.39 1p4k s LYS 248 CO 0.21 0.35 0.28 1.21 -0.76 0.00 0.00 175.35 176.63 1p4k s ASN 249 N -3.92 6.19 0.52 2.83 3.84 -1.26 -4.50 114.94 118.65 1p4k s ASN 249 Ca 0.35 0.21 0.26 0.00 0.21 0.00 0.00 52.86 53.88 1p4k s ASN 249 Cb -0.08 -2.17 1.38 0.00 -0.55 0.00 0.00 41.25 39.83 1p4k s ASN 249 CO 0.26 -0.08 1.96 0.25 -2.79 0.00 0.00 177.10 176.71 1p4k h LEU 250 N 8.15 0.05 -2.48 3.21 5.85 -1.93 -0.49 115.31 127.67 1p4k h LEU 250 Ca -0.35 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.39 1p4k h LEU 250 Cb 1.17 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.19 1p4k h LEU 250 CO 0.63 0.02 0.04 0.50 -0.34 0.00 0.00 178.44 179.30 1p4k h LYS 251 N 0.05 0.00 -0.01 1.25 1.63 -2.00 -0.78 116.57 116.71 1p4k h LYS 251 Ca 0.31 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.11 1p4k h LYS 251 Cb 1.17 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.80 1p4k h LYS 251 CO -0.02 0.00 -0.05 -0.25 -3.45 0.00 0.00 179.45 175.68 1p4k n ASP 252 N -3.73 0.94 -4.21 4.20 8.00 -0.19 -4.85 116.55 116.70 1p4k n ASP 252 Ca -0.02 -1.14 -0.30 0.00 0.71 0.00 0.00 54.79 54.04 1p4k n ASP 252 Cb 0.13 0.00 -0.17 0.00 -0.02 0.00 0.00 41.12 41.07 1p4k n ASP 252 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1p4k s ILE 253 N -2.16 1.88 -0.05 0.53 -1.09 -0.30 -5.03 121.20 114.99 1p4k s ILE 253 Ca 0.36 -0.95 0.01 0.00 -2.23 0.00 0.00 60.65 57.84 1p4k s ILE 253 Cb 0.21 -1.62 0.02 0.00 -1.58 0.00 0.00 42.46 39.49 1p4k s ILE 253 CO 0.39 0.52 -0.04 -1.58 -1.23 0.00 0.00 174.94 173.00 1p4k s GLN 254 N 0.12 0.88 -0.10 2.79 2.00 -1.26 -4.64 119.66 119.45 1p4k s GLN 254 Ca -0.10 -0.10 -0.09 0.00 -2.00 0.00 0.00 55.36 53.08 1p4k s GLN 254 Cb -0.15 -0.93 0.03 0.00 0.80 0.00 0.00 33.01 32.75 1p4k s GLN 254 CO 0.05 -0.12 0.26 0.08 -0.50 0.00 0.00 175.29 175.07 1p4k s VAL 255 N 1.11 -0.01 0.03 1.34 1.01 -1.26 -0.95 120.40 121.68 1p4k s VAL 255 Ca -0.08 0.02 0.04 0.00 0.00 0.00 0.00 61.98 61.96 1p4k s VAL 255 Cb -0.14 -0.38 -0.02 0.00 0.00 0.00 0.00 36.38 35.84 1p4k s VAL 255 CO -0.01 0.01 -0.12 -0.83 0.00 0.00 0.00 175.10 174.15 1p4k s GLY 256 N 0.32 0.67 0.04 4.51 0.00 -0.01 -1.36 107.32 111.49 1p4k s GLY 256 Ca -0.02 -0.73 0.06 0.00 0.00 0.00 0.00 44.72 44.03 1p4k s GLY 256 CO -0.01 -0.72 -0.17 -1.36 0.00 0.00 0.00 173.10 170.84 1p4k s PHE 257 N -0.83 1.45 0.05 1.90 0.40 -0.50 -1.37 117.98 119.08 1p4k s PHE 257 Ca -0.00 -0.36 0.06 0.00 -0.60 0.00 0.00 56.93 56.02 1p4k s PHE 257 Cb -0.07 -0.86 -0.02 0.00 0.51 0.00 0.00 43.02 42.57 1p4k s PHE 257 CO 0.01 0.06 -0.16 0.96 0.70 0.00 0.00 175.22 176.79 1p4k s ILE 258 N -0.83 1.25 0.08 0.64 -4.36 -0.78 -2.11 121.20 115.07 1p4k s ILE 258 Ca 0.04 -1.14 -0.07 0.00 -0.26 0.00 0.00 60.65 59.22 1p4k s ILE 258 Cb -0.08 -1.13 -0.01 0.00 1.25 0.00 0.00 42.46 42.48 1p4k s ILE 258 CO 0.01 -0.02 0.14 0.00 0.24 0.00 0.00 174.94 175.31 1p4k s ALA 259 N -0.96 -0.06 -0.05 2.27 0.00 0.13 -2.05 121.76 121.04 1p4k s ALA 259 Ca 0.02 -0.74 -0.05 0.00 0.00 0.00 0.00 51.96 51.20 1p4k s ALA 259 Cb -0.09 0.42 0.02 0.00 0.00 0.00 0.00 23.12 23.47 1p4k s ALA 259 CO 0.02 -0.47 0.14 -1.17 0.00 0.00 0.00 175.76 174.28 1p4k s LEU 260 N -2.82 1.38 0.55 0.00 2.96 -0.52 -1.65 118.68 118.58 1p4k s LEU 260 Ca 0.05 0.29 0.06 0.00 -0.22 0.00 0.00 54.13 54.31 1p4k s LEU 260 Cb 0.05 0.48 0.05 0.00 0.50 0.00 0.00 46.19 47.27 1p4k s LEU 260 CO -0.10 -0.06 0.47 0.54 -1.32 0.00 0.00 176.35 175.87 1p4k s ASN 261 N 0.20 4.70 0.60 3.68 2.20 -0.56 -0.51 114.94 125.24 1p4k s ASN 261 Ca -0.01 -1.20 0.31 0.00 -0.94 0.00 0.00 52.86 51.03 1p4k s ASN 261 Cb -0.02 0.42 1.85 0.00 -2.00 0.00 0.00 41.25 41.50 1p4k s ASN 261 CO -0.01 -1.15 2.21 0.50 -2.94 0.00 0.00 177.10 175.71 1p4k h LYS 262 N 0.65 0.00 -0.04 3.55 1.63 -1.77 -0.95 116.57 119.65 1p4k h LYS 262 Ca -0.36 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.44 1p4k h LYS 262 Cb 1.30 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.93 1p4k h LYS 262 CO 0.55 0.00 0.00 1.63 -3.45 0.00 0.00 179.45 178.18 1p4k n LYS 263 N -3.71 1.55 -0.88 1.90 5.02 -1.26 -4.89 118.16 115.90 1p4k n LYS 263 Ca -0.02 -0.81 0.00 0.00 -2.02 0.00 0.00 58.31 55.46 1p4k n LYS 263 Cb 0.16 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 1p4k n LYS 263 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1p4k n GLY 264 N 1.13 0.62 3.81 0.72 0.00 -0.36 -0.61 105.19 110.50 1p4k n GLY 264 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 1p4k n GLY 264 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1p4k s GLU 265 N -0.12 4.24 0.24 1.61 2.02 -1.26 -4.72 118.70 120.70 1p4k s GLU 265 Ca 0.00 1.21 0.01 0.00 0.02 0.00 0.00 54.97 56.21 1p4k s GLU 265 Cb 0.00 -2.30 -0.05 0.00 0.10 0.00 0.00 34.13 31.88 1p4k s GLU 265 CO 0.00 -0.03 0.10 1.52 0.02 0.00 0.00 175.26 176.86 1p4k s TYR 266 N -2.03 1.41 0.14 1.61 -0.85 -1.26 -1.50 117.35 114.88 1p4k s TYR 266 Ca 0.60 -1.21 -0.25 0.00 -0.52 0.00 0.00 57.07 55.69 1p4k s TYR 266 Cb -0.12 -0.80 0.07 0.00 0.38 0.00 0.00 41.96 41.49 1p4k s TYR 266 CO 0.17 -0.40 1.02 0.20 -1.52 0.00 0.00 175.55 175.02 1p4k s GLY 267 N -3.26 -0.16 0.07 5.49 0.00 -0.66 -4.34 107.32 104.45 1p4k s GLY 267 Ca 0.37 0.07 -0.26 0.00 0.00 0.00 0.00 44.72 44.89 1p4k s GLY 267 CO 0.12 0.60 0.75 0.00 0.00 0.00 0.00 173.10 174.57 1p4k s ALA 268 N -2.91 -1.72 0.02 3.20 0.00 -1.26 -0.69 121.76 118.40 1p4k s ALA 268 Ca 0.15 0.78 -0.28 0.00 0.00 0.00 0.00 51.96 52.62 1p4k s ALA 268 Cb -0.01 0.61 0.08 0.00 0.00 0.00 0.00 23.12 23.81 1p4k s ALA 268 CO 0.02 -0.71 0.74 -0.47 0.00 0.00 0.00 175.76 175.34 1p4k s TYR 269 N -3.34 -0.51 0.19 0.00 5.04 -0.90 -4.13 117.35 113.71 1p4k s TYR 269 Ca 0.03 0.58 -0.08 0.00 -2.44 0.00 0.00 57.07 55.15 1p4k s TYR 269 Cb -0.01 0.50 -0.02 0.00 0.35 0.00 0.00 41.96 42.78 1p4k s TYR 269 CO -0.10 -0.65 0.29 0.00 -1.34 0.00 0.00 175.55 173.75 1p4k h ILE 271 N 2.50 1.52 -3.73 0.00 2.04 -1.53 -2.05 117.51 116.27 1p4k h ILE 271 Ca -0.31 -1.56 -0.68 0.00 1.00 0.00 0.00 64.86 63.31 1p4k h ILE 271 Cb 1.24 2.57 -0.20 0.00 -0.74 0.00 0.00 36.82 39.69 1p4k h ILE 271 CO 0.46 0.41 -0.83 -1.10 0.00 0.00 0.00 178.15 177.09 1p4k s GLN 272 N -3.58 1.59 0.70 2.37 -0.21 -1.26 -0.22 119.66 119.05 1p4k s GLN 272 Ca -0.17 -1.30 -0.15 0.00 0.02 0.00 0.00 55.36 53.76 1p4k s GLN 272 Cb 0.00 -1.99 0.02 0.00 1.00 0.00 0.00 33.01 32.05 1p4k s GLN 272 CO 0.68 0.46 1.18 0.34 -2.12 0.00 0.00 175.29 175.83 1p4k s ASP 273 N -2.19 4.51 0.00 5.90 2.15 -1.26 -4.10 116.67 121.69 1p4k s ASP 273 Ca 0.17 2.26 0.00 0.00 0.43 0.00 0.00 52.55 55.41 1p4k s ASP 273 Cb -0.10 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 39.94 1p4k s ASP 273 CO 0.08 -2.04 0.00 0.61 -0.17 0.00 0.00 175.17 173.65 1p4k n GLY 274 N 0.16 1.34 3.84 2.66 0.00 -1.26 -5.09 105.19 106.83 1p4k n GLY 274 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 1p4k n GLY 274 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1p4k s PHE 275 N -2.07 3.62 0.11 1.61 5.36 -1.26 -4.87 117.98 120.47 1p4k s PHE 275 Ca 0.00 1.12 -0.01 0.00 -0.96 0.00 0.00 56.93 57.08 1p4k s PHE 275 Cb 0.00 -2.42 -0.04 0.00 -0.34 0.00 0.00 43.02 40.23 1p4k s PHE 275 CO 0.00 0.42 0.04 0.54 -1.46 0.00 0.00 175.22 174.76 1p4k s ASN 276 N -1.68 0.35 0.05 6.13 6.03 -1.26 -4.32 114.94 120.24 1p4k s ASN 276 Ca 0.38 -1.12 -0.03 0.00 -1.03 0.00 0.00 52.86 51.06 1p4k s ASN 276 Cb -0.15 0.27 -0.03 0.00 -3.03 0.00 0.00 41.25 38.31 1p4k s ASN 276 CO 0.19 -0.69 0.04 0.72 -2.03 0.00 0.00 177.10 175.33 1p4k s PHE 277 N -4.00 0.37 -0.11 1.54 -0.12 -0.61 -0.60 117.98 114.45 1p4k s PHE 277 Ca 0.18 -0.84 -0.02 0.00 -0.05 0.00 0.00 56.93 56.20 1p4k s PHE 277 Cb 0.07 -0.27 -0.03 0.00 -0.63 0.00 0.00 43.02 42.17 1p4k s PHE 277 CO -0.02 -0.40 -0.03 0.00 -0.05 0.00 0.00 175.22 174.71 1p4k s ALA 278 N -3.54 3.08 -0.04 1.99 0.00 0.15 -0.04 121.76 123.36 1p4k s ALA 278 Ca 0.03 -0.83 0.04 0.00 0.00 0.00 0.00 51.96 51.20 1p4k s ALA 278 Cb 0.05 -1.45 -0.00 0.00 0.00 0.00 0.00 23.12 21.71 1p4k s ALA 278 CO -0.09 0.41 -0.17 0.54 0.00 0.00 0.00 175.76 176.46 1p4k s VAL 279 N -0.30 1.41 -0.12 0.00 0.11 -0.29 -1.68 120.40 119.53 1p4k s VAL 279 Ca 0.05 -0.71 -0.00 0.00 -2.93 0.00 0.00 61.98 58.39 1p4k s VAL 279 Cb -0.12 -1.22 0.03 0.00 -1.53 0.00 0.00 36.38 33.54 1p4k s VAL 279 CO 0.02 0.41 -0.07 -2.28 -3.33 0.00 0.00 175.10 169.85 1p4k s HIS 280 N 0.04 1.51 0.00 1.54 2.46 -0.13 -1.66 115.29 119.04 1p4k s HIS 280 Ca -0.04 -0.79 0.00 0.00 0.47 0.00 0.00 55.06 54.71 1p4k s HIS 280 Cb -0.11 -1.24 0.00 0.00 -0.13 0.00 0.00 32.58 31.09 1p4k s HIS 280 CO 0.02 -0.53 0.00 -0.40 -2.47 0.00 0.00 174.74 171.36 1p4k n ASP 281 N 4.94 0.00 0.34 9.88 3.85 -0.98 -1.46 116.55 133.11 1p4k n ASP 281 Ca -0.12 0.00 0.20 0.00 -0.71 0.00 0.00 54.79 54.15 1p4k n ASP 281 Cb 0.50 0.00 1.04 0.00 -1.35 0.00 0.00 41.12 41.31 1p4k n ASP 281 CO 0.00 0.00 0.00 0.06 -1.01 0.00 0.00 177.20 176.25 1p4k h GLN 282 N 0.00 0.00 -0.01 0.11 3.07 -1.93 0.14 115.11 116.49 1p4k h GLN 282 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1p4k h GLN 282 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 1p4k h GLN 282 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 178.83 180.55 1p4k n LYS 283 N -2.99 1.58 0.00 0.06 5.02 -1.26 -5.04 118.16 115.53 1p4k n LYS 283 Ca -0.03 -0.85 0.00 0.00 -2.02 0.00 0.00 58.31 55.42 1p4k n LYS 283 Cb 0.21 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 1p4k n LYS 283 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1p4k n GLY 284 N 1.15 -2.92 3.79 0.72 0.00 0.49 -4.99 105.19 103.45 1p4k n GLY 284 Ca 0.20 -2.09 -0.36 0.00 0.00 0.00 0.00 46.02 43.77 1p4k n GLY 284 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1p4k s ASN 285 N -2.16 6.10 0.20 1.61 2.47 -1.26 -2.33 114.94 119.58 1p4k s ASN 285 Ca 0.00 0.32 -0.21 0.00 0.42 0.00 0.00 52.86 53.40 1p4k s ASN 285 Cb 0.00 -1.98 0.04 0.00 -1.45 0.00 0.00 41.25 37.86 1p4k s ASN 285 CO 0.00 0.33 0.60 0.00 -3.72 0.00 0.00 177.10 174.31 1p4k s ARG 286 N -0.53 1.44 -0.21 0.43 3.03 -0.67 -5.00 118.95 117.44 1p4k s ARG 286 Ca 0.12 -0.73 -0.08 0.00 2.03 0.00 0.00 55.73 57.07 1p4k s ARG 286 Cb -0.12 0.57 -0.04 0.00 -1.03 0.00 0.00 34.95 34.34 1p4k s ARG 286 CO 0.02 -0.63 0.08 -0.51 -1.13 0.00 0.00 175.30 173.12 1p4k s LEU 287 N -2.83 3.74 0.23 -1.89 1.43 -1.26 -1.14 118.68 116.95 1p4k s LEU 287 Ca 0.06 -0.00 0.10 0.00 -1.03 0.00 0.00 54.13 53.26 1p4k s LEU 287 Cb -0.02 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 1p4k s LEU 287 CO -0.05 0.10 -0.14 -1.61 0.23 0.00 0.00 176.35 174.88 1p4k s GLU 288 N 0.84 1.87 -0.18 1.70 2.02 0.95 -4.94 118.70 120.95 1p4k s GLU 288 Ca 0.04 -1.50 -0.00 0.00 0.02 0.00 0.00 54.97 53.53 1p4k s GLU 288 Cb -0.13 -1.98 0.01 0.00 0.10 0.00 0.00 34.13 32.13 1p4k s GLU 288 CO 0.02 0.38 -0.16 0.99 0.02 0.00 0.00 175.26 176.52 1p4k s THR 289 N -2.04 2.44 0.81 3.63 2.01 -1.26 -1.57 115.64 119.67 1p4k s THR 289 Ca 0.27 -0.82 -0.10 0.00 0.31 0.00 0.00 61.69 61.35 1p4k s THR 289 Cb -0.07 -2.05 0.12 0.00 0.01 0.00 0.00 72.50 70.51 1p4k s THR 289 CO 0.15 0.51 1.15 -2.16 -0.69 0.00 0.00 174.62 173.58 1p4k s PRO 290 N 1.24 1.55 0.78 4.92 0.04 -1.26 -5.07 135.00 137.20 1p4k s PRO 290 Ca 0.03 -0.36 -0.11 0.00 0.04 0.00 0.00 61.00 60.60 1p4k s PRO 290 Cb -0.14 -2.04 0.06 0.00 0.04 0.00 0.00 34.50 32.42 1p4k s PRO 290 CO -0.08 -1.74 1.08 0.20 0.04 0.00 0.00 177.00 176.50 1p4k s GLY 291 N -4.69 1.65 0.02 0.56 0.00 -1.26 -4.85 107.32 98.75 1p4k s GLY 291 Ca 0.66 0.01 0.00 0.00 0.00 0.00 0.00 44.72 45.39 1p4k s GLY 291 CO 0.48 0.40 -0.03 -0.11 0.00 0.00 0.00 173.10 173.85 1p4k s PHE 292 N -3.02 0.23 0.01 1.90 -0.12 -1.26 -1.83 117.98 113.88 1p4k s PHE 292 Ca 0.61 -0.41 -0.19 0.00 -0.05 0.00 0.00 56.93 56.89 1p4k s PHE 292 Cb -0.16 -0.16 -0.25 0.00 -0.63 0.00 0.00 43.02 41.82 1p4k s PHE 292 CO 0.55 -0.14 1.08 0.00 -0.05 0.00 0.00 175.22 176.66 1p4k h ALA 293 N 4.98 0.04 -1.23 1.99 0.00 -0.92 -3.43 119.26 120.70 1p4k h ALA 293 Ca -0.30 -0.63 -0.50 0.00 0.00 0.00 0.00 54.91 53.48 1p4k h ALA 293 Cb 1.21 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.99 1p4k h ALA 293 CO 0.43 0.43 1.18 -1.17 0.00 0.00 0.00 179.25 180.12 1p4k s LEU 294 N -8.18 3.27 0.00 0.00 0.20 0.70 -5.05 118.68 109.61 1p4k s LEU 294 Ca -0.12 -0.46 0.30 0.00 0.69 0.00 0.00 54.13 54.53 1p4k s LEU 294 Cb 0.04 -2.55 1.39 0.00 -0.43 0.00 0.00 46.19 44.63 1p4k s LEU 294 CO 0.85 -2.10 1.93 0.29 -0.29 0.00 0.00 176.35 177.04