#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k6k s ASP 17 N 0.00 6.75 0.52 7.83 -0.00 -1.26 -4.76 116.67 125.75 3k6k s ASP 17 Ca 0.00 1.34 0.38 0.00 -0.00 0.00 0.00 52.55 54.27 3k6k s ASP 17 Cb 0.00 -2.54 1.55 0.00 -0.00 0.00 0.00 42.92 41.93 3k6k s ASP 17 CO 0.00 -0.99 1.70 -0.65 -0.00 0.00 0.00 175.17 175.23 3k6k h PRO 18 N 8.98 0.05 0.00 8.23 0.11 -1.94 2.85 132.00 150.28 3k6k h PRO 18 Ca -0.26 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.77 3k6k h PRO 18 Cb 1.10 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3k6k h PRO 18 CO 1.02 0.03 -0.37 0.00 -0.21 0.00 0.00 178.00 178.47 3k6k h ARG 19 N 0.05 0.00 0.06 1.05 3.08 -1.89 -2.34 114.38 114.39 3k6k h ARG 19 Ca 0.73 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 60.53 3k6k h ARG 19 Cb 2.72 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.78 3k6k h ARG 19 CO -0.10 0.37 -1.07 -0.44 -1.07 0.00 0.00 179.97 177.66 3k6k h ASP 20 N 0.00 0.51 -0.91 7.04 3.32 0.47 -2.78 116.42 124.07 3k6k h ASP 20 Ca -0.00 -0.46 0.08 0.00 0.02 0.00 0.00 57.03 56.67 3k6k h ASP 20 Cb 0.75 -0.16 -0.06 0.00 0.22 0.00 0.00 39.33 40.08 3k6k h ASP 20 CO 0.05 1.29 0.59 0.15 -1.72 0.00 0.00 179.24 179.60 3k6k h PHE 21 N 0.17 1.03 -0.02 4.55 -0.00 -1.22 -0.86 116.94 120.58 3k6k h PHE 21 Ca -0.11 0.03 -0.13 0.00 -0.00 0.00 0.00 57.97 57.76 3k6k h PHE 21 Cb 1.74 -0.33 -0.02 0.00 -0.00 0.00 0.00 35.95 37.34 3k6k h PHE 21 CO 0.06 0.50 -0.60 -0.07 -0.00 0.00 0.00 178.31 178.21 3k6k h LEU 22 N 0.98 0.10 0.25 0.59 3.38 -1.36 -0.36 115.31 118.89 3k6k h LEU 22 Ca 0.41 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.31 3k6k h LEU 22 Cb 0.30 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3k6k h LEU 22 CO -0.17 0.67 -0.12 -0.61 0.09 0.00 0.00 178.44 178.31 3k6k h GLN 23 N 0.06 -0.32 -0.89 1.13 5.75 -1.13 -1.02 115.11 118.69 3k6k h GLN 23 Ca -0.01 0.02 0.23 0.00 -0.15 0.00 0.00 58.65 58.75 3k6k h GLN 23 Cb 1.08 0.07 -0.16 0.00 1.07 0.00 0.00 27.48 29.54 3k6k h GLN 23 CO 0.08 0.03 0.07 1.25 -2.65 0.00 0.00 178.83 177.61 3k6k h LEU 24 N -0.75 -0.33 -0.96 -2.39 5.85 -1.04 0.19 115.31 115.89 3k6k h LEU 24 Ca -0.03 0.23 -0.10 0.00 0.84 0.00 0.00 57.88 58.82 3k6k h LEU 24 Cb 0.50 0.39 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 3k6k h LEU 24 CO 0.06 -0.25 -0.49 -0.07 -0.34 0.00 0.00 178.44 177.35 3k6k h LEU 25 N 0.09 0.00 0.02 2.25 3.38 -0.88 -1.58 115.31 118.60 3k6k h LEU 25 Ca 0.53 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.49 3k6k h LEU 25 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 3k6k h LEU 25 CO -0.78 0.49 -0.01 0.50 0.09 0.00 0.00 178.44 178.73 3k6k h LYS 26 N 0.00 -0.03 -0.08 1.13 3.64 0.47 -3.04 116.57 118.66 3k6k h LYS 26 Ca -0.00 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.42 3k6k h LYS 26 Cb 0.92 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.68 3k6k h LYS 26 CO 0.06 0.68 -0.37 0.82 -2.27 0.00 0.00 179.45 178.37 3k6k h ILE 27 N -0.83 0.21 0.00 2.00 2.04 -0.81 0.63 117.51 120.76 3k6k h ILE 27 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3k6k h ILE 27 Cb 0.73 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 3k6k h ILE 27 CO 0.01 0.00 0.22 0.78 0.00 0.00 0.00 178.15 179.16 3k6k h ASN 28 N -0.48 0.00 0.00 1.72 -0.26 -1.37 -2.55 115.58 112.64 3k6k h ASN 28 Ca 0.07 0.00 -0.26 0.00 -0.56 0.00 0.00 56.30 55.55 3k6k h ASN 28 Cb 0.60 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.81 3k6k h ASN 28 CO -0.34 0.00 -1.98 0.00 -1.06 0.00 0.00 177.43 174.04 3k6k n ALA 29 N -1.74 1.63 -0.33 -0.83 0.00 -0.90 -3.91 120.51 114.43 3k6k n ALA 29 Ca -0.01 -0.80 0.20 0.00 0.00 0.00 0.00 53.44 52.83 3k6k n ALA 29 Cb 0.26 0.05 0.42 0.00 0.00 0.00 0.00 19.45 20.18 3k6k n ALA 29 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3k6k h GLU 30 N 0.00 0.39 0.00 0.00 4.81 -0.45 -3.01 114.58 116.33 3k6k h GLU 30 Ca -0.39 -0.02 -0.28 0.00 -0.13 0.00 0.00 59.36 58.54 3k6k h GLU 30 Cb 1.69 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 30.92 3k6k h GLU 30 CO -0.03 0.26 -2.16 1.63 -0.73 0.00 0.00 179.01 177.97 3k6k n LYS 31 N -5.01 1.04 -0.99 1.92 4.76 -1.20 -5.01 118.16 113.68 3k6k n LYS 31 Ca 0.29 -0.03 -0.35 0.00 -2.87 0.00 0.00 58.31 55.35 3k6k n LYS 31 Cb 0.86 -1.45 -0.03 0.00 -1.84 0.00 0.00 35.03 32.57 3k6k n LYS 31 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3k6k n ALA 32 N -2.58 -2.38 -2.67 7.82 0.00 -1.14 -4.83 120.51 114.73 3k6k n ALA 32 Ca -0.25 0.33 -0.42 0.00 0.00 0.00 0.00 53.44 53.09 3k6k n ALA 32 Cb 0.99 -1.14 -0.03 0.00 0.00 0.00 0.00 19.45 19.28 3k6k n ALA 32 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3k6k s GLU 33 N -0.58 4.42 0.10 0.00 2.56 -1.26 -4.99 118.70 118.95 3k6k s GLU 33 Ca 0.48 1.42 -0.19 0.00 0.00 0.00 0.00 54.97 56.68 3k6k s GLU 33 Cb -0.69 -3.54 -0.04 0.00 2.00 0.00 0.00 34.13 31.86 3k6k s GLU 33 CO 0.39 -0.32 1.04 1.63 -0.56 0.00 0.00 175.26 177.44 3k6k n LYS 34 N 4.98 -0.26 -3.15 4.30 4.76 -1.26 -4.36 118.16 123.17 3k6k n LYS 34 Ca 0.09 1.02 0.04 0.00 -2.87 0.00 0.00 58.31 56.58 3k6k n LYS 34 Cb 0.49 -1.50 -0.00 0.00 -1.84 0.00 0.00 35.03 32.17 3k6k n LYS 34 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3k6k s ASN 35 N -4.98 -1.59 1.04 4.39 2.20 -1.26 -5.06 114.94 109.68 3k6k s ASN 35 Ca -0.07 0.10 -0.13 0.00 -0.94 0.00 0.00 52.86 51.81 3k6k s ASN 35 Cb 0.07 2.01 0.21 0.00 -2.00 0.00 0.00 41.25 41.53 3k6k s ASN 35 CO 0.37 -0.28 1.10 -0.76 -2.94 0.00 0.00 177.10 174.59 3k6k s LEU 36 N 2.75 1.41 0.00 3.54 2.01 -1.26 -5.05 118.68 122.08 3k6k s LEU 36 Ca 0.11 1.08 -0.11 0.00 0.01 0.00 0.00 54.13 55.21 3k6k s LEU 36 Cb -0.09 -3.17 0.17 0.00 0.01 0.00 0.00 46.19 43.11 3k6k s LEU 36 CO -0.24 -3.33 0.51 -2.65 1.01 0.00 0.00 176.35 171.65 3k6k n PRO 37 N -4.29 -2.64 -0.04 1.29 -0.02 -1.26 -4.85 135.00 123.19 3k6k n PRO 37 Ca 0.06 -0.83 -0.03 0.00 -2.02 0.00 0.00 63.50 60.68 3k6k n PRO 37 Cb 0.58 -0.89 -0.01 0.00 -0.02 0.00 0.00 33.50 33.16 3k6k n PRO 37 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3k6k h LEU 38 N 0.00 0.00 -1.13 2.45 5.85 -1.98 -2.79 115.31 117.70 3k6k h LEU 38 Ca -0.21 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.51 3k6k h LEU 38 Cb 0.65 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.68 3k6k h LEU 38 CO 0.13 0.48 0.00 -0.90 -0.34 0.00 0.00 178.44 177.81 3k6k n ASP 39 N -3.80 0.48 0.00 1.25 3.85 -1.26 0.23 116.55 117.30 3k6k n ASP 39 Ca -0.04 0.71 0.00 0.00 -0.71 0.00 0.00 54.79 54.75 3k6k n ASP 39 Cb 0.16 -0.78 0.00 0.00 -1.35 0.00 0.00 41.12 39.15 3k6k n ASP 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3k6k n GLN 40 N -2.13 0.00 -0.40 0.11 1.13 -1.26 -3.14 117.38 111.69 3k6k n GLN 40 Ca -0.01 0.33 0.35 0.00 -1.94 0.00 0.00 57.00 55.73 3k6k n GLN 40 Cb 0.05 -1.04 0.62 0.00 0.11 0.00 0.00 30.24 29.97 3k6k n GLN 40 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 3k6k h LYS 41 N 0.00 0.08 0.15 -1.09 1.57 0.07 0.27 116.57 117.62 3k6k h LYS 41 Ca 0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3k6k h LYS 41 Cb 0.00 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 3k6k h LYS 41 CO 0.00 0.05 -0.12 0.00 -0.57 0.00 0.00 179.45 178.81 3k6k h ARG 42 N 0.08 -0.28 -0.01 3.15 3.08 -0.52 -0.45 114.38 119.44 3k6k h ARG 42 Ca 0.83 0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.82 3k6k h ARG 42 Cb 2.42 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 32.52 3k6k h ARG 42 CO -0.54 -0.18 -0.33 0.00 -1.07 0.00 0.00 179.97 177.85 3k6k h ALA 43 N 0.55 1.44 0.00 0.04 0.00 -0.49 -2.03 119.26 118.77 3k6k h ALA 43 Ca -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3k6k h ALA 43 Cb 0.26 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3k6k h ALA 43 CO -0.02 0.42 0.00 0.41 0.00 0.00 0.00 179.25 180.06 3k6k n GLY 44 N -0.57 -1.47 0.13 0.00 0.00 -0.37 -2.33 105.19 100.57 3k6k n GLY 44 Ca -0.02 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 3k6k n GLY 44 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3k6k h MET 45 N 0.00 0.20 -0.89 1.61 -1.53 -0.48 -3.12 114.93 110.72 3k6k h MET 45 Ca 0.00 -0.35 0.08 0.00 -3.44 0.00 0.00 59.70 55.99 3k6k h MET 45 Cb 0.53 0.13 -0.07 0.00 -0.55 0.00 0.00 31.60 31.64 3k6k h MET 45 CO 0.00 1.17 0.54 0.93 0.14 0.00 0.00 176.91 179.69 3k6k h GLU 46 N -0.25 0.92 0.58 0.39 4.39 -1.35 -1.33 114.58 117.93 3k6k h GLU 46 Ca -0.38 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.23 3k6k h GLU 46 Cb 1.81 -0.21 0.01 0.00 -0.10 0.00 0.00 28.75 30.26 3k6k h GLU 46 CO 0.01 0.61 -0.28 0.00 -1.16 0.00 0.00 179.01 178.19 3k6k h ALA 47 N 1.45 -0.91 -0.53 3.43 0.00 -1.61 -2.94 119.26 118.15 3k6k h ALA 47 Ca 0.41 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 55.25 3k6k h ALA 47 Cb 0.28 0.30 -0.09 0.00 0.00 0.00 0.00 17.79 18.29 3k6k h ALA 47 CO -0.21 -0.85 0.02 1.25 0.00 0.00 0.00 179.25 179.45 3k6k h LEU 48 N -1.03 -0.19 -0.93 0.00 5.85 -1.50 -2.64 115.31 114.87 3k6k h LEU 48 Ca -0.08 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3k6k h LEU 48 Cb 0.60 0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.84 3k6k h LEU 48 CO 0.13 -0.07 0.00 0.00 -0.34 0.00 0.00 178.44 178.16 3k6k h GLU 50 N 0.00 0.00 0.00 0.00 5.08 -1.27 -2.96 114.58 115.43 3k6k h GLU 50 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3k6k h GLU 50 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3k6k h GLU 50 CO 0.00 0.37 0.00 -2.13 -1.00 0.00 0.00 179.01 176.25 3k6k n ARG 51 N -3.29 0.05 -4.89 2.33 0.63 -0.57 -4.75 116.66 106.18 3k6k n ARG 51 Ca 0.01 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.62 3k6k n ARG 51 Cb 0.61 -1.08 -0.14 0.00 0.45 0.00 0.00 32.46 32.31 3k6k n ARG 51 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 3k6k s PHE 52 N -2.00 2.71 0.71 -0.14 0.08 -1.12 -5.11 117.98 113.11 3k6k s PHE 52 Ca 0.00 -0.35 -0.14 0.00 0.12 0.00 0.00 56.93 56.55 3k6k s PHE 52 Cb 0.00 -1.69 0.03 0.00 -0.57 0.00 0.00 43.02 40.78 3k6k s PHE 52 CO 0.00 0.03 1.15 -1.25 -0.10 0.00 0.00 175.22 175.05 3k6k s PRO 53 N -0.35 2.42 -0.01 0.24 0.04 -1.26 -4.81 135.00 131.27 3k6k s PRO 53 Ca 0.03 1.52 0.08 0.00 0.04 0.00 0.00 61.00 62.67 3k6k s PRO 53 Cb -0.13 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.50 3k6k s PRO 53 CO 0.02 -1.57 -0.26 1.03 0.04 0.00 0.00 177.00 176.27 3k6k s ARG 54 N -4.11 2.07 0.26 4.56 0.52 -1.26 -4.26 118.95 116.73 3k6k s ARG 54 Ca 0.69 -0.95 -0.30 0.00 -0.52 0.00 0.00 55.73 54.65 3k6k s ARG 54 Cb -0.24 -2.04 -0.14 0.00 0.52 0.00 0.00 34.95 33.05 3k6k s ARG 54 CO 0.45 0.55 1.25 0.00 0.02 0.00 0.00 175.30 177.57 3k6k n ALA 55 N 2.31 0.51 -1.82 2.13 0.00 -1.26 -4.89 120.51 117.50 3k6k n ALA 55 Ca -0.16 0.41 -0.41 0.00 0.00 0.00 0.00 53.44 53.28 3k6k n ALA 55 Cb 0.51 -2.17 -0.02 0.00 0.00 0.00 0.00 19.45 17.77 3k6k n ALA 55 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3k6k s GLU 56 N -0.94 4.33 0.00 0.00 -6.30 -1.26 -3.37 118.70 111.16 3k6k s GLU 56 Ca 0.64 2.23 0.00 0.00 -2.50 0.00 0.00 54.97 55.34 3k6k s GLU 56 Cb -0.68 -3.09 0.00 0.00 0.00 0.00 0.00 34.13 30.36 3k6k s GLU 56 CO 0.55 -0.25 0.00 0.41 0.02 0.00 0.00 175.26 175.99 3k6k n GLY 57 N 1.25 0.51 3.72 -1.50 0.00 -1.26 -5.00 105.19 102.90 3k6k n GLY 57 Ca 0.02 -0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 3k6k n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k6k s VAL 58 N -2.00 5.34 -0.13 1.61 0.11 -1.22 -4.10 120.40 120.01 3k6k s VAL 58 Ca 0.00 0.40 -0.16 0.00 -2.93 0.00 0.00 61.98 59.29 3k6k s VAL 58 Cb 0.00 -3.57 -0.04 0.00 -1.53 0.00 0.00 36.38 31.23 3k6k s VAL 58 CO 0.00 0.39 0.40 -0.70 -3.33 0.00 0.00 175.10 171.86 3k6k s GLU 59 N 0.57 4.28 -0.32 1.54 2.12 0.56 -4.87 118.70 122.58 3k6k s GLU 59 Ca 0.13 0.30 -0.11 0.00 0.36 0.00 0.00 54.97 55.65 3k6k s GLU 59 Cb -0.12 -3.42 -0.01 0.00 0.26 0.00 0.00 34.13 30.83 3k6k s GLU 59 CO 0.02 0.22 0.20 -0.51 -0.54 0.00 0.00 175.26 174.65 3k6k s LEU 60 N 0.48 4.31 -0.13 2.70 1.43 -1.26 -2.82 118.68 123.39 3k6k s LEU 60 Ca 0.22 -0.45 -0.00 0.00 -1.03 0.00 0.00 54.13 52.86 3k6k s LEU 60 Cb -0.14 -2.07 -0.02 0.00 0.03 0.00 0.00 46.19 43.99 3k6k s LEU 60 CO 0.08 -0.21 -0.13 -0.89 0.23 0.00 0.00 176.35 175.43 3k6k s THR 61 N 1.67 3.09 -0.07 5.49 2.01 -0.19 -4.98 115.64 122.67 3k6k s THR 61 Ca 0.05 -0.65 -0.18 0.00 0.31 0.00 0.00 61.69 61.22 3k6k s THR 61 Cb -0.17 -2.29 -0.05 0.00 0.01 0.00 0.00 72.50 70.00 3k6k s THR 61 CO 0.09 0.53 0.48 -0.76 -0.69 0.00 0.00 174.62 174.26 3k6k s LEU 62 N 0.29 4.35 0.00 4.42 1.43 -1.26 -0.96 118.68 126.94 3k6k s LEU 62 Ca -0.09 0.92 0.00 0.00 -1.03 0.00 0.00 54.13 53.92 3k6k s LEU 62 Cb -0.16 -2.71 0.00 0.00 0.03 0.00 0.00 46.19 43.35 3k6k s LEU 62 CO 0.05 0.10 0.00 1.07 0.23 0.00 0.00 176.35 177.80 3k6k n THR 63 N 3.05 0.00 -4.16 5.49 5.66 -0.43 -4.97 114.28 118.92 3k6k n THR 63 Ca -0.09 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.79 3k6k n THR 63 Cb 0.52 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.19 3k6k n THR 63 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 3k6k s ASP 64 N 0.71 1.26 -0.12 1.09 -4.77 -1.26 -0.88 116.67 112.71 3k6k s ASP 64 Ca 0.00 -0.85 0.01 0.00 -3.30 0.00 0.00 52.55 48.41 3k6k s ASP 64 Cb 0.00 0.04 0.02 0.00 -1.09 0.00 0.00 42.92 41.89 3k6k s ASP 64 CO 0.00 -0.33 -0.13 -0.76 0.70 0.00 0.00 175.17 174.65 3k6k s LEU 65 N -2.55 1.60 -1.52 2.11 1.43 0.40 -4.80 118.68 115.36 3k6k s LEU 65 Ca 0.06 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 3k6k s LEU 65 Cb -0.01 -1.06 0.00 0.00 0.03 0.00 0.00 46.19 45.15 3k6k s LEU 65 CO -0.02 -0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.14 3k6k n GLY 66 N 4.53 0.09 0.87 -3.19 0.00 -1.26 -1.24 105.19 104.98 3k6k n GLY 66 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3k6k n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k6k n GLY 67 N -0.74 2.34 3.65 -0.02 0.00 -1.26 -4.78 105.19 104.37 3k6k n GLY 67 Ca -0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 3k6k n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k6k s VAL 68 N -2.41 5.03 0.55 1.61 1.01 -0.38 -5.01 120.40 120.80 3k6k s VAL 68 Ca 0.00 1.12 -0.21 0.00 0.00 0.00 0.00 61.98 62.89 3k6k s VAL 68 Cb 0.00 -3.92 -0.06 0.00 0.00 0.00 0.00 36.38 32.40 3k6k s VAL 68 CO 0.00 0.10 1.16 -2.65 0.00 0.00 0.00 175.10 173.71 3k6k n PRO 69 N 5.18 1.33 -3.86 2.72 -0.02 -1.26 -0.45 135.00 138.64 3k6k n PRO 69 Ca -0.02 0.50 -0.10 0.00 -2.02 0.00 0.00 63.50 61.86 3k6k n PRO 69 Cb 0.50 -2.34 -0.06 0.00 -0.02 0.00 0.00 33.50 31.58 3k6k n PRO 69 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k6k s ILE 71 N -3.92 4.47 0.01 0.00 1.01 -0.75 -1.31 121.20 120.72 3k6k s ILE 71 Ca 0.13 -0.76 -0.24 0.00 0.00 0.00 0.00 60.65 59.77 3k6k s ILE 71 Cb 0.02 -3.43 -0.05 0.00 0.01 0.00 0.00 42.46 39.01 3k6k s ILE 71 CO -0.03 -0.13 0.75 -0.60 0.00 0.00 0.00 174.94 174.93 3k6k s ARG 72 N 1.55 4.47 -0.02 2.79 3.52 -0.13 -1.63 118.95 129.50 3k6k s ARG 72 Ca 0.02 1.01 0.03 0.00 -0.13 0.00 0.00 55.73 56.67 3k6k s ARG 72 Cb -0.18 -3.39 -0.00 0.00 -1.56 0.00 0.00 34.95 29.82 3k6k s ARG 72 CO 0.06 0.22 -0.12 -0.65 -0.81 0.00 0.00 175.30 174.01 3k6k s GLN 73 N 0.18 1.13 -0.20 5.12 -0.21 0.36 -1.02 119.66 125.02 3k6k s GLN 73 Ca 0.38 -0.41 -0.28 0.00 0.02 0.00 0.00 55.36 55.07 3k6k s GLN 73 Cb -0.20 -1.05 0.13 0.00 1.00 0.00 0.00 33.01 32.89 3k6k s GLN 73 CO 0.22 0.19 1.03 0.00 -2.12 0.00 0.00 175.29 174.61 3k6k s ALA 74 N 0.00 -1.96 0.49 6.09 0.00 -1.13 -0.99 121.76 124.27 3k6k s ALA 74 Ca -0.01 1.68 -0.02 0.00 0.00 0.00 0.00 51.96 53.62 3k6k s ALA 74 Cb -0.08 -0.98 -0.00 0.00 0.00 0.00 0.00 23.12 22.06 3k6k s ALA 74 CO 0.00 -0.28 0.75 0.95 0.00 0.00 0.00 175.76 177.18 3k6k s THR 75 N -0.69 4.00 0.23 0.00 -4.23 -1.26 -0.32 115.64 113.37 3k6k s THR 75 Ca 0.00 -0.29 -0.31 0.00 -1.18 0.00 0.00 61.69 59.91 3k6k s THR 75 Cb -0.02 -3.51 -0.11 0.00 1.34 0.00 0.00 72.50 70.20 3k6k s THR 75 CO -0.01 -0.42 1.62 -1.81 -0.54 0.00 0.00 174.62 173.45 3k6k s ASP 76 N -4.23 6.45 -0.43 3.99 -0.00 -1.26 -2.72 116.67 118.47 3k6k s ASP 76 Ca 0.50 2.83 -0.00 0.00 -0.00 0.00 0.00 52.55 55.87 3k6k s ASP 76 Cb -0.10 -2.61 -0.00 0.00 -0.00 0.00 0.00 42.92 40.20 3k6k s ASP 76 CO 0.41 -0.90 0.36 0.61 -0.00 0.00 0.00 175.17 175.65 3k6k n GLY 77 N 3.12 0.15 3.79 0.21 0.00 -1.26 -5.04 105.19 106.16 3k6k n GLY 77 Ca 0.12 -0.22 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 3k6k n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k6k s ALA 78 N -3.13 2.86 1.00 4.61 0.00 -1.10 -4.97 121.76 121.02 3k6k s ALA 78 Ca 0.03 0.69 0.00 0.00 0.00 0.00 0.00 51.96 52.68 3k6k s ALA 78 Cb -0.00 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.83 3k6k s ALA 78 CO 0.27 -0.43 0.00 0.41 0.00 0.00 0.00 175.76 176.01 3k6k n GLY 79 N -0.05 -2.38 1.37 0.00 0.00 0.13 -4.96 105.19 99.30 3k6k n GLY 79 Ca 0.09 -1.36 0.10 0.00 0.00 0.00 0.00 46.02 44.85 3k6k n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k6k n ALA 80 N -3.00 2.72 -2.85 4.61 0.00 -1.26 -4.71 120.51 116.02 3k6k n ALA 80 Ca 0.00 -1.48 -0.31 0.00 0.00 0.00 0.00 53.44 51.66 3k6k n ALA 80 Cb 0.00 -0.90 -0.05 0.00 0.00 0.00 0.00 19.45 18.50 3k6k n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k6k s ALA 81 N -1.49 3.80 -0.12 0.00 0.00 -1.26 -4.95 121.76 117.73 3k6k s ALA 81 Ca 0.47 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 51.53 3k6k s ALA 81 Cb 0.28 -1.64 -0.00 0.00 0.00 0.00 0.00 23.12 21.75 3k6k s ALA 81 CO 0.26 0.79 -0.19 -1.01 0.00 0.00 0.00 175.76 175.61 3k6k s HIS 82 N -1.45 2.69 -0.27 0.00 0.09 0.52 -0.78 115.29 116.08 3k6k s HIS 82 Ca 0.32 -0.96 -0.12 0.00 -0.00 0.00 0.00 55.06 54.31 3k6k s HIS 82 Cb -0.13 -1.80 -0.05 0.00 -0.00 0.00 0.00 32.58 30.61 3k6k s HIS 82 CO 0.25 -0.39 0.24 0.42 -0.00 0.00 0.00 174.74 175.26 3k6k s ILE 83 N 0.49 5.28 -0.29 0.60 1.01 0.31 -0.77 121.20 127.81 3k6k s ILE 83 Ca -0.13 0.28 -0.17 0.00 0.00 0.00 0.00 60.65 60.64 3k6k s ILE 83 Cb -0.17 -3.58 -0.02 0.00 0.01 0.00 0.00 42.46 38.71 3k6k s ILE 83 CO 0.05 0.23 0.46 -0.22 0.00 0.00 0.00 174.94 175.46 3k6k s LEU 84 N 1.79 4.15 -0.04 2.97 2.96 0.34 0.14 118.68 131.00 3k6k s LEU 84 Ca 0.09 0.24 0.04 0.00 -0.22 0.00 0.00 54.13 54.29 3k6k s LEU 84 Cb -0.16 -2.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.96 3k6k s LEU 84 CO 0.10 -0.31 -0.16 -0.47 -1.32 0.00 0.00 176.35 174.19 3k6k s TYR 85 N 2.24 2.65 -0.27 5.38 6.14 -0.17 -0.80 117.35 132.52 3k6k s TYR 85 Ca 0.18 -0.20 0.01 0.00 0.64 0.00 0.00 57.07 57.70 3k6k s TYR 85 Cb -0.16 -1.60 0.07 0.00 0.42 0.00 0.00 41.96 40.70 3k6k s TYR 85 CO 0.11 0.17 -0.01 -0.06 0.64 0.00 0.00 175.55 176.39 3k6k s PHE 86 N -0.74 2.67 0.92 4.97 0.08 -0.15 -0.66 117.98 125.07 3k6k s PHE 86 Ca 0.12 -2.08 -0.10 0.00 0.12 0.00 0.00 56.93 54.99 3k6k s PHE 86 Cb -0.11 -1.92 0.15 0.00 -0.57 0.00 0.00 43.02 40.57 3k6k s PHE 86 CO 0.01 -0.84 1.15 -3.38 -0.10 0.00 0.00 175.22 172.06 3k6k s HIS 87 N 1.30 1.58 0.76 0.36 -3.43 -1.26 -3.29 115.29 111.31 3k6k s HIS 87 Ca -0.00 1.80 -0.10 0.00 -0.80 0.00 0.00 55.06 55.96 3k6k s HIS 87 Cb -0.19 -3.35 0.17 0.00 -1.43 0.00 0.00 32.58 27.78 3k6k s HIS 87 CO -0.09 -2.86 1.04 0.41 -2.00 0.00 0.00 174.74 171.24 3k6k n GLY 88 N 0.26 -0.76 0.00 -1.38 0.00 -1.21 -3.39 105.19 98.71 3k6k n GLY 88 Ca 0.12 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.33 3k6k n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k6k n GLY 89 N -2.12 0.47 2.36 -0.02 0.00 -1.26 -4.12 105.19 100.50 3k6k n GLY 89 Ca 0.14 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.98 3k6k n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k6k n GLY 90 N 0.00 1.47 2.12 -0.02 0.00 -1.26 -1.49 105.19 106.02 3k6k n GLY 90 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3k6k n GLY 90 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3k6k n TYR 91 N -2.33 0.00 -0.25 1.61 4.02 -1.26 -4.75 117.16 114.19 3k6k n TYR 91 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.71 3k6k n TYR 91 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.91 3k6k n TYR 91 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 176.86 176.29 3k6k n ILE 92 N -2.00 0.00 -3.57 -0.72 -5.35 -1.02 -0.94 119.36 105.75 3k6k n ILE 92 Ca 0.00 -0.27 -0.04 0.00 -0.27 0.00 0.00 62.75 62.17 3k6k n ILE 92 Cb 0.00 1.25 -0.00 0.00 -1.74 0.00 0.00 39.64 39.14 3k6k n ILE 92 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3k6k n SER 93 N -0.25 -0.49 -0.78 7.28 3.41 -0.55 -4.79 113.62 117.44 3k6k n SER 93 Ca 0.00 -1.54 0.10 0.00 -0.26 0.00 0.00 58.87 57.17 3k6k n SER 93 Cb 0.06 0.88 -0.04 0.00 -0.26 0.00 0.00 64.21 64.85 3k6k n SER 93 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k6k n GLY 94 N -0.17 -2.30 3.80 5.00 0.00 -1.26 -4.23 105.19 106.03 3k6k n GLY 94 Ca -0.01 -1.29 -0.06 0.00 0.00 0.00 0.00 46.02 44.66 3k6k n GLY 94 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k6k s SER 95 N -6.15 -0.26 0.29 1.61 1.04 -1.26 -4.96 113.70 104.02 3k6k s SER 95 Ca 0.00 -0.50 0.04 0.00 0.48 0.00 0.00 55.95 55.96 3k6k s SER 95 Cb 0.00 0.64 0.75 0.00 0.10 0.00 0.00 66.02 67.52 3k6k s SER 95 CO 0.00 -1.18 1.65 -0.65 0.98 0.00 0.00 173.24 174.04 3k6k h PRO 96 N 2.00 0.23 -0.10 4.02 0.11 -1.87 -1.15 132.00 135.25 3k6k h PRO 96 Ca -0.21 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.91 3k6k h PRO 96 Cb 1.25 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 3k6k h PRO 96 CO 0.25 0.15 -0.10 0.77 -0.21 0.00 0.00 178.00 178.87 3k6k h SER 97 N 0.24 -0.30 -0.01 -2.05 0.02 -1.96 -2.95 113.55 106.54 3k6k h SER 97 Ca 0.57 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.59 3k6k h SER 97 Cb 1.17 0.15 -0.00 0.00 0.14 0.00 0.00 62.40 63.86 3k6k h SER 97 CO -0.64 -0.13 0.01 0.71 -1.14 0.00 0.00 176.83 175.64 3k6k h THR 98 N -0.12 0.71 -0.61 -2.27 1.35 -1.57 -2.52 112.91 107.88 3k6k h THR 98 Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.93 3k6k h THR 98 Cb 0.22 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 67.64 3k6k h THR 98 CO -0.17 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 176.51 3k6k n HIS 99 N -4.13 0.98 -0.30 4.73 8.25 -1.09 -4.48 115.22 119.18 3k6k n HIS 99 Ca -0.03 -0.54 0.09 0.00 -0.26 0.00 0.00 57.72 56.99 3k6k n HIS 99 Cb 0.09 -0.07 0.25 0.00 1.12 0.00 0.00 29.99 31.39 3k6k n HIS 99 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3k6k h LEU 100 N 3.66 0.43 -0.72 2.41 3.38 -1.39 0.74 115.31 123.81 3k6k h LEU 100 Ca 0.00 0.12 0.16 0.00 0.09 0.00 0.00 57.88 58.24 3k6k h LEU 100 Cb 1.06 0.06 -0.13 0.00 0.09 0.00 0.00 40.66 41.74 3k6k h LEU 100 CO 0.06 0.12 -0.07 0.58 0.09 0.00 0.00 178.44 179.23 3k6k h VAL 101 N 0.52 0.33 0.06 1.22 2.07 -1.79 -1.59 116.25 117.07 3k6k h VAL 101 Ca 0.50 -0.02 -0.14 0.00 0.82 0.00 0.00 66.70 67.86 3k6k h VAL 101 Cb 0.81 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 3k6k h VAL 101 CO -0.43 0.01 -0.70 0.25 0.02 0.00 0.00 177.57 176.72 3k6k h LEU 102 N 0.06 0.19 -0.82 2.57 5.85 -1.32 -3.25 115.31 118.59 3k6k h LEU 102 Ca 0.38 -0.87 -0.11 0.00 0.84 0.00 0.00 57.88 58.11 3k6k h LEU 102 Cb 0.63 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 3k6k h LEU 102 CO -0.68 1.30 -0.34 0.71 -0.34 0.00 0.00 178.44 179.09 3k6k h THR 103 N -0.71 1.29 -0.36 1.05 1.35 -0.89 -0.77 112.91 113.87 3k6k h THR 103 Ca -0.16 -1.44 -0.08 0.00 -0.55 0.00 0.00 66.41 64.17 3k6k h THR 103 Cb 1.36 1.49 -0.01 0.00 -1.73 0.00 0.00 68.15 69.26 3k6k h THR 103 CO 0.01 0.45 -0.10 0.71 -0.25 0.00 0.00 175.52 176.34 3k6k h THR 104 N 0.41 1.28 -0.38 6.82 1.35 -1.44 0.82 112.91 121.76 3k6k h THR 104 Ca 0.05 -1.18 0.08 0.00 -0.55 0.00 0.00 66.41 64.80 3k6k h THR 104 Cb 0.80 1.30 -0.09 0.00 -1.73 0.00 0.00 68.15 68.43 3k6k h THR 104 CO 0.06 0.39 -0.31 1.56 -0.25 0.00 0.00 175.52 176.98 3k6k h GLN 105 N 0.50 -0.23 -0.32 4.72 1.08 -1.54 0.64 115.11 119.95 3k6k h GLN 105 Ca 0.09 0.02 0.05 0.00 -1.45 0.00 0.00 58.65 57.36 3k6k h GLN 105 Cb 0.62 0.05 -0.05 0.00 -0.05 0.00 0.00 27.48 28.05 3k6k h GLN 105 CO 0.04 -0.16 0.01 -0.07 -0.95 0.00 0.00 178.83 177.71 3k6k h LEU 106 N -0.24 -0.10 -1.15 1.46 3.38 -0.51 -1.58 115.31 116.57 3k6k h LEU 106 Ca 0.17 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.18 3k6k h LEU 106 Cb 0.52 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 3k6k h LEU 106 CO -0.52 -0.01 0.22 0.00 0.09 0.00 0.00 178.44 178.22 3k6k h ALA 107 N 1.27 1.33 0.20 1.53 0.00 -0.57 -1.75 119.26 121.28 3k6k h ALA 107 Ca 0.16 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3k6k h ALA 107 Cb 0.20 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3k6k h ALA 107 CO -0.25 0.50 -0.10 -0.22 0.00 0.00 0.00 179.25 179.18 3k6k h LYS 108 N 0.81 -0.26 0.00 0.00 3.64 -0.56 -1.69 116.57 118.51 3k6k h LYS 108 Ca 0.19 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 3k6k h LYS 108 Cb 0.17 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3k6k h LYS 108 CO -0.02 -0.17 0.00 1.04 -2.27 0.00 0.00 179.45 178.03 3k6k n GLN 109 N -2.85 0.26 -0.01 1.90 6.02 -0.62 -1.52 117.38 120.56 3k6k n GLN 109 Ca -0.03 0.12 0.09 0.00 -0.01 0.00 0.00 57.00 57.16 3k6k n GLN 109 Cb 0.11 -1.50 -0.13 0.00 1.02 0.00 0.00 30.24 29.74 3k6k n GLN 109 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 3k6k n SER 110 N -1.22 1.06 -4.13 1.08 3.41 -0.66 -4.84 113.62 108.32 3k6k n SER 110 Ca 0.08 -0.06 -0.34 0.00 -0.26 0.00 0.00 58.87 58.29 3k6k n SER 110 Cb 0.10 1.73 -0.01 0.00 -0.26 0.00 0.00 64.21 65.77 3k6k n SER 110 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3k6k n SER 111 N -2.05 -3.45 -4.66 4.04 7.64 -0.58 -4.86 113.62 109.71 3k6k n SER 111 Ca -0.03 -0.96 -0.24 0.00 1.01 0.00 0.00 58.87 58.66 3k6k n SER 111 Cb 0.44 -3.05 -0.08 0.00 -1.01 0.00 0.00 64.21 60.51 3k6k n SER 111 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3k6k s ALA 112 N -3.34 3.25 -0.25 -0.43 0.00 -1.23 0.21 121.76 119.98 3k6k s ALA 112 Ca 0.67 -1.82 -0.26 0.00 0.00 0.00 0.00 51.96 50.55 3k6k s ALA 112 Cb -0.36 -0.60 0.00 0.00 0.00 0.00 0.00 23.12 22.17 3k6k s ALA 112 CO 0.90 0.13 0.91 0.99 0.00 0.00 0.00 175.76 178.69 3k6k s THR 113 N -2.43 4.76 -0.25 0.00 2.01 0.04 -4.68 115.64 115.09 3k6k s THR 113 Ca 0.34 1.68 -0.10 0.00 0.31 0.00 0.00 61.69 63.93 3k6k s THR 113 Cb -0.03 -4.20 -0.04 0.00 0.01 0.00 0.00 72.50 68.24 3k6k s THR 113 CO 0.20 -0.15 0.14 -0.22 -0.69 0.00 0.00 174.62 173.90 3k6k s LEU 114 N 3.02 3.88 -0.40 4.42 0.20 -0.16 -0.53 118.68 129.11 3k6k s LEU 114 Ca 0.38 -0.02 -0.10 0.00 0.69 0.00 0.00 54.13 55.08 3k6k s LEU 114 Cb -0.15 -2.05 0.06 0.00 -0.43 0.00 0.00 46.19 43.62 3k6k s LEU 114 CO 0.08 0.01 0.24 0.26 -0.29 0.00 0.00 176.35 176.65 3k6k s TRP 115 N 1.40 3.30 -0.25 5.38 0.52 0.37 -0.49 118.94 129.17 3k6k s TRP 115 Ca 0.07 -1.32 -0.20 0.00 0.02 0.00 0.00 56.10 54.67 3k6k s TRP 115 Cb -0.15 -2.77 -0.02 0.00 -1.15 0.00 0.00 33.47 29.38 3k6k s TRP 115 CO 0.07 -0.78 0.59 0.45 0.02 0.00 0.00 176.95 177.30 3k6k s SER 116 N 1.94 6.55 -0.05 2.95 0.15 -0.64 -1.00 113.70 123.59 3k6k s SER 116 Ca 0.02 0.67 -0.11 0.00 0.70 0.00 0.00 55.95 57.23 3k6k s SER 116 Cb -0.22 -2.32 -0.05 0.00 -1.71 0.00 0.00 66.02 61.72 3k6k s SER 116 CO 0.04 -0.33 0.30 -0.22 1.20 0.00 0.00 173.24 174.22 3k6k s LEU 117 N 2.36 4.44 -1.06 3.45 2.96 0.17 -1.81 118.68 129.19 3k6k s LEU 117 Ca 0.25 0.76 -0.03 0.00 -0.22 0.00 0.00 54.13 54.88 3k6k s LEU 117 Cb -0.16 -2.37 0.31 0.00 0.50 0.00 0.00 46.19 44.47 3k6k s LEU 117 CO 0.09 0.36 1.46 -0.67 -1.32 0.00 0.00 176.35 176.27 3k6k n ASP 118 N 1.88 6.33 -4.75 3.68 -0.08 -0.78 -4.38 116.55 118.44 3k6k n ASP 118 Ca -0.16 -3.43 -0.32 0.00 -1.51 0.00 0.00 54.79 49.37 3k6k n ASP 118 Cb 0.53 -1.24 0.10 0.00 2.34 0.00 0.00 41.12 42.85 3k6k n ASP 118 CO 0.00 0.00 0.00 -0.72 0.12 0.00 0.00 177.20 176.60 3k6k s TYR 119 N -2.83 2.38 0.44 -0.67 -0.85 -1.26 -4.54 117.35 110.02 3k6k s TYR 119 Ca 0.32 1.60 -0.24 0.00 -0.52 0.00 0.00 57.07 58.23 3k6k s TYR 119 Cb 0.06 -3.15 -0.08 0.00 0.38 0.00 0.00 41.96 39.17 3k6k s TYR 119 CO 0.10 -2.01 1.22 1.03 -1.52 0.00 0.00 175.55 174.37 3k6k s ARG 120 N -4.64 3.81 -0.02 -3.49 0.52 -1.26 -5.02 118.95 108.84 3k6k s ARG 120 Ca 0.64 1.92 -0.08 0.00 -0.52 0.00 0.00 55.73 57.69 3k6k s ARG 120 Cb -0.20 -2.53 -0.05 0.00 0.52 0.00 0.00 34.95 32.69 3k6k s ARG 120 CO 0.53 -0.55 0.27 -0.51 0.02 0.00 0.00 175.30 175.05 3k6k s LEU 121 N -2.82 4.39 0.55 2.53 1.43 -1.26 -4.45 118.68 119.06 3k6k s LEU 121 Ca 0.61 0.62 -0.13 0.00 -1.03 0.00 0.00 54.13 54.20 3k6k s LEU 121 Cb -0.32 -2.51 -0.06 0.00 0.03 0.00 0.00 46.19 43.32 3k6k s LEU 121 CO 0.40 0.30 0.99 0.00 0.23 0.00 0.00 176.35 178.27 3k6k s ALA 122 N -1.19 3.11 -0.77 4.21 0.00 -0.12 -0.88 121.76 126.11 3k6k s ALA 122 Ca 0.24 0.02 0.25 0.00 0.00 0.00 0.00 51.96 52.46 3k6k s ALA 122 Cb -0.14 -3.06 0.44 0.00 0.00 0.00 0.00 23.12 20.36 3k6k s ALA 122 CO 0.12 -0.43 1.38 -0.35 0.00 0.00 0.00 175.76 176.49 3k6k n PRO 123 N -2.11 0.18 0.25 0.00 -0.04 -1.26 -3.97 135.00 128.06 3k6k n PRO 123 Ca 0.06 0.05 0.13 0.00 -0.04 0.00 0.00 63.50 63.71 3k6k n PRO 123 Cb 0.54 -1.62 0.63 0.00 -0.04 0.00 0.00 33.50 33.01 3k6k n PRO 123 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 3k6k h GLU 124 N 0.00 0.00 -4.45 0.54 9.09 -1.95 -3.30 114.58 114.51 3k6k h GLU 124 Ca 0.00 0.00 -0.67 0.00 0.05 0.00 0.00 59.36 58.74 3k6k h GLU 124 Cb 0.65 0.00 -0.38 0.00 -1.65 0.00 0.00 28.75 27.38 3k6k h GLU 124 CO 0.00 0.12 -0.63 -0.80 0.05 0.00 0.00 179.01 177.76 3k6k s ASN 125 N -5.98 4.95 0.79 3.06 -0.87 -0.06 -5.08 114.94 111.75 3k6k s ASN 125 Ca -0.00 -2.22 -0.11 0.00 -1.57 0.00 0.00 52.86 48.96 3k6k s ASN 125 Cb 0.11 -1.72 0.07 0.00 -0.02 0.00 0.00 41.25 39.68 3k6k s ASN 125 CO 0.58 -0.43 1.09 -2.84 -2.57 0.00 0.00 177.10 172.93 3k6k s PRO 126 N 0.85 2.11 0.29 -0.60 0.02 -1.25 -3.59 135.00 132.83 3k6k s PRO 126 Ca 0.11 0.89 -0.29 0.00 0.02 0.00 0.00 61.00 61.73 3k6k s PRO 126 Cb -0.21 -1.90 -0.14 0.00 0.02 0.00 0.00 34.50 32.27 3k6k s PRO 126 CO -0.06 -1.66 1.12 0.34 -0.33 0.00 0.00 177.00 176.41 3k6k n PHE 127 N -3.50 1.57 -0.20 6.54 7.35 -1.26 -1.50 117.46 126.46 3k6k n PHE 127 Ca 0.08 0.65 0.04 0.00 -0.76 0.00 0.00 57.45 57.45 3k6k n PHE 127 Cb 0.55 -2.31 0.25 0.00 0.35 0.00 0.00 39.48 38.32 3k6k n PHE 127 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 3k6k n PRO 128 N 0.90 3.42 -0.29 -7.13 -0.04 -1.26 -5.03 135.00 125.57 3k6k n PRO 128 Ca 0.09 -1.98 0.12 0.00 -0.04 0.00 0.00 63.50 61.69 3k6k n PRO 128 Cb 0.32 -1.98 0.28 0.00 -0.04 0.00 0.00 33.50 32.08 3k6k n PRO 128 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3k6k h ALA 129 N 3.22 1.26 0.11 0.55 0.00 -1.54 0.13 119.26 122.98 3k6k h ALA 129 Ca 0.01 0.21 -0.29 0.00 0.00 0.00 0.00 54.91 54.85 3k6k h ALA 129 Cb 1.46 0.29 0.03 0.00 0.00 0.00 0.00 17.79 19.57 3k6k h ALA 129 CO 0.32 -0.44 -1.19 0.00 0.00 0.00 0.00 179.25 177.94 3k6k h ALA 130 N 1.76 -0.01 -0.42 0.00 0.00 -1.83 -1.51 119.26 117.26 3k6k h ALA 130 Ca 0.54 -0.76 0.02 0.00 0.00 0.00 0.00 54.91 54.71 3k6k h ALA 130 Cb 1.07 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 3k6k h ALA 130 CO -0.63 0.65 0.28 0.28 0.00 0.00 0.00 179.25 179.83 3k6k h VAL 131 N 0.23 1.07 -0.18 0.00 2.07 -1.74 -1.13 116.25 116.57 3k6k h VAL 131 Ca -0.18 -0.18 -0.10 0.00 0.82 0.00 0.00 66.70 67.07 3k6k h VAL 131 Cb 1.87 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 32.15 3k6k h VAL 131 CO 0.23 0.09 -0.26 0.44 0.02 0.00 0.00 177.57 178.09 3k6k h ASP 132 N 0.51 0.54 -0.40 0.57 3.45 -0.42 -1.63 116.42 119.05 3k6k h ASP 132 Ca 0.16 -0.52 -0.02 0.00 0.43 0.00 0.00 57.03 57.08 3k6k h ASP 132 Cb 0.02 -0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 38.62 3k6k h ASP 132 CO -0.04 0.96 0.17 0.44 -1.57 0.00 0.00 179.24 179.20 3k6k h ASP 133 N 0.15 0.54 -0.40 6.45 3.32 -0.98 0.14 116.42 125.63 3k6k h ASP 133 Ca 0.02 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 56.91 3k6k h ASP 133 Cb 0.84 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.23 3k6k h ASP 133 CO 0.06 0.54 0.24 0.00 -1.72 0.00 0.00 179.24 178.36 3k6k h VAL 135 N 0.53 0.97 -0.90 0.00 2.07 -0.89 -0.71 116.25 117.32 3k6k h VAL 135 Ca 0.14 -0.38 0.14 0.00 0.82 0.00 0.00 66.70 67.42 3k6k h VAL 135 Cb 0.01 1.21 -0.09 0.00 -1.52 0.00 0.00 31.29 30.90 3k6k h VAL 135 CO -0.03 0.09 0.51 0.00 0.02 0.00 0.00 177.57 178.16 3k6k h ALA 136 N 0.50 1.37 -0.56 1.67 0.00 -0.70 0.73 119.26 122.25 3k6k h ALA 136 Ca -0.02 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3k6k h ALA 136 Cb 0.28 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3k6k h ALA 136 CO 0.03 0.01 0.16 0.00 0.00 0.00 0.00 179.25 179.46 3k6k h ALA 137 N 1.55 0.74 -0.58 0.00 0.00 -0.48 -2.21 119.26 118.27 3k6k h ALA 137 Ca 0.48 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 3k6k h ALA 137 Cb 0.61 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3k6k h ALA 137 CO -0.33 0.41 0.14 -0.92 0.00 0.00 0.00 179.25 178.55 3k6k h TYR 138 N 0.79 0.94 0.60 0.00 5.03 -0.32 0.19 116.97 124.21 3k6k h TYR 138 Ca 0.18 -0.10 -0.02 0.00 2.58 0.00 0.00 58.73 61.37 3k6k h TYR 138 Cb 0.30 -0.27 -0.01 0.00 1.55 0.00 0.00 36.73 38.30 3k6k h TYR 138 CO 0.02 0.79 -0.38 -0.09 -1.32 0.00 0.00 178.16 177.18 3k6k h ARG 139 N 0.87 -0.89 -0.35 1.82 2.43 -0.67 -1.15 114.38 116.43 3k6k h ARG 139 Ca 0.19 0.06 0.07 0.00 -0.81 0.00 0.00 59.98 59.49 3k6k h ARG 139 Cb 0.32 0.20 -0.07 0.00 -0.42 0.00 0.00 29.97 30.01 3k6k h ARG 139 CO 0.00 -0.60 -0.12 0.00 -1.51 0.00 0.00 179.97 177.74 3k6k h ALA 140 N -0.61 0.18 -0.48 2.80 0.00 -1.20 -1.86 119.26 118.09 3k6k h ALA 140 Ca -0.07 0.13 0.11 0.00 0.00 0.00 0.00 54.91 55.08 3k6k h ALA 140 Cb 0.75 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 3k6k h ALA 140 CO 0.07 -0.49 0.33 1.25 0.00 0.00 0.00 179.25 180.41 3k6k h LEU 141 N -0.05 0.13 -1.41 0.00 5.85 -0.39 -0.38 115.31 119.07 3k6k h LEU 141 Ca 0.17 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.84 3k6k h LEU 141 Cb 0.31 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 3k6k h LEU 141 CO -0.39 0.08 -0.20 -0.07 -0.34 0.00 0.00 178.44 177.52 3k6k h LEU 142 N 0.15 0.13 -0.14 2.25 3.38 -0.34 0.64 115.31 121.37 3k6k h LEU 142 Ca 0.22 -0.03 -0.16 0.00 0.09 0.00 0.00 57.88 58.01 3k6k h LEU 142 Cb 0.69 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.41 3k6k h LEU 142 CO -0.03 0.35 -0.53 0.11 0.09 0.00 0.00 178.44 178.43 3k6k h LYS 143 N 0.13 0.61 -0.27 1.13 1.57 -1.00 -2.82 116.57 115.93 3k6k h LYS 143 Ca 0.02 -0.46 -0.18 0.00 -1.87 0.00 0.00 60.65 58.16 3k6k h LYS 143 Cb 0.43 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 3k6k h LYS 143 CO 0.03 1.09 -0.55 1.15 -0.57 0.00 0.00 179.45 180.59 3k6k h THR 144 N 0.26 1.28 -0.32 -0.16 2.02 -1.28 -3.16 112.91 111.56 3k6k h THR 144 Ca -0.02 -1.75 -0.17 0.00 0.77 0.00 0.00 66.41 65.24 3k6k h THR 144 Cb 1.15 1.66 -0.00 0.00 -1.74 0.00 0.00 68.15 69.22 3k6k h THR 144 CO 0.11 0.57 -0.46 0.00 0.37 0.00 0.00 175.52 176.10 3k6k h ALA 145 N 0.75 0.58 0.00 6.16 0.00 -0.98 -3.48 119.26 122.29 3k6k h ALA 145 Ca 0.01 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3k6k h ALA 145 Cb 1.15 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3k6k h ALA 145 CO 0.12 0.68 0.00 0.41 0.00 0.00 0.00 179.25 180.46 3k6k n GLY 146 N 0.21 2.97 3.36 0.00 0.00 -1.06 -4.97 105.19 105.71 3k6k n GLY 146 Ca -0.03 -0.27 -0.13 0.00 0.00 0.00 0.00 46.02 45.59 3k6k n GLY 146 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k6k s SER 147 N 0.63 -0.38 0.50 1.61 1.04 -1.26 -4.97 113.70 110.88 3k6k s SER 147 Ca 0.00 0.11 0.28 0.00 0.48 0.00 0.00 55.95 56.82 3k6k s SER 147 Cb 0.00 0.46 1.37 0.00 0.10 0.00 0.00 66.02 67.96 3k6k s SER 147 CO 0.00 -0.69 1.85 0.00 0.98 0.00 0.00 173.24 175.38 3k6k h ALA 148 N 2.88 2.70 0.00 5.32 0.00 -1.87 -2.45 119.26 125.84 3k6k h ALA 148 Ca -0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3k6k h ALA 148 Cb 1.21 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3k6k h ALA 148 CO 0.42 -0.99 0.00 -0.25 0.00 0.00 0.00 179.25 178.43 3k6k n ASP 149 N -4.35 0.12 -0.61 0.00 10.43 -1.26 -1.81 116.55 119.07 3k6k n ASP 149 Ca 0.21 0.52 0.13 0.00 2.57 0.00 0.00 54.79 58.22 3k6k n ASP 149 Cb 0.95 -0.55 0.41 0.00 1.84 0.00 0.00 41.12 43.77 3k6k n ASP 149 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3k6k n ARG 150 N -1.63 1.85 -4.15 -1.24 3.00 -0.92 -4.72 116.66 108.85 3k6k n ARG 150 Ca 0.05 -1.23 -0.34 0.00 -0.01 0.00 0.00 57.85 56.31 3k6k n ARG 150 Cb 0.27 -1.47 -0.11 0.00 0.00 0.00 0.00 32.46 31.14 3k6k n ARG 150 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3k6k s ILE 151 N -2.00 4.23 -0.13 0.55 1.01 -0.75 -0.36 121.20 123.76 3k6k s ILE 151 Ca 0.35 -0.23 -0.03 0.00 0.00 0.00 0.00 60.65 60.74 3k6k s ILE 151 Cb 0.21 -2.90 -0.03 0.00 0.01 0.00 0.00 42.46 39.75 3k6k s ILE 151 CO 0.33 0.46 -0.01 -0.63 0.00 0.00 0.00 174.94 175.08 3k6k s ILE 152 N 0.61 4.17 -0.10 2.92 -1.09 0.05 0.11 121.20 127.86 3k6k s ILE 152 Ca 0.00 -0.28 -0.12 0.00 -2.23 0.00 0.00 60.65 58.03 3k6k s ILE 152 Cb -0.14 -2.80 -0.05 0.00 -1.58 0.00 0.00 42.46 37.90 3k6k s ILE 152 CO 0.02 0.54 0.28 -0.63 -1.23 0.00 0.00 174.94 173.91 3k6k s ILE 153 N -0.19 5.29 0.02 2.92 -1.09 -0.64 -0.50 121.20 126.99 3k6k s ILE 153 Ca 0.05 0.52 -0.05 0.00 -2.23 0.00 0.00 60.65 58.93 3k6k s ILE 153 Cb -0.13 -3.58 -0.01 0.00 -1.58 0.00 0.00 42.46 37.17 3k6k s ILE 153 CO 0.02 0.52 0.09 0.00 -1.23 0.00 0.00 174.94 174.34 3k6k s ALA 154 N -0.47 -0.16 -0.14 9.38 0.00 0.02 -0.17 121.76 130.23 3k6k s ALA 154 Ca 0.18 -0.35 -0.34 0.00 0.00 0.00 0.00 51.96 51.45 3k6k s ALA 154 Cb -0.14 0.16 0.13 0.00 0.00 0.00 0.00 23.12 23.28 3k6k s ALA 154 CO 0.07 -0.23 1.26 0.20 0.00 0.00 0.00 175.76 177.05 3k6k s GLY 155 N -1.62 -0.33 0.15 0.00 0.00 -0.56 -0.97 107.32 103.98 3k6k s GLY 155 Ca -0.12 1.30 0.09 0.00 0.00 0.00 0.00 44.72 45.99 3k6k s GLY 155 CO -0.01 0.39 -0.12 0.51 0.00 0.00 0.00 173.10 173.87 3k6k s ASP 156 N -2.46 4.17 0.88 1.64 -4.77 -1.21 -0.60 116.67 114.31 3k6k s ASP 156 Ca 0.11 -0.54 0.00 0.00 -3.30 0.00 0.00 52.55 48.82 3k6k s ASP 156 Cb 0.01 -0.69 0.00 0.00 -1.09 0.00 0.00 42.92 41.16 3k6k s ASP 156 CO -0.04 0.14 0.00 -0.24 0.70 0.00 0.00 175.17 175.73 3k6k n SER 157 N 0.37 0.00 -0.04 2.11 2.88 -0.21 0.10 113.62 118.82 3k6k n SER 157 Ca -0.13 0.00 0.19 0.00 -1.33 0.00 0.00 58.87 57.61 3k6k n SER 157 Cb 0.54 0.00 0.64 0.00 -0.75 0.00 0.00 64.21 64.64 3k6k n SER 157 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3k6k h ALA 158 N -0.44 2.41 0.00 -1.46 0.00 -1.84 0.05 119.26 117.99 3k6k h ALA 158 Ca 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 3k6k h ALA 158 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3k6k h ALA 158 CO 0.00 -0.58 -0.36 0.78 0.00 0.00 0.00 179.25 179.09 3k6k h GLY 159 N 0.11 0.00 1.00 0.00 0.00 0.68 0.29 103.07 105.15 3k6k h GLY 159 Ca 0.28 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.53 3k6k h GLY 159 CO -0.03 0.00 -0.03 -1.33 0.00 0.00 0.00 176.54 175.15 3k6k h GLY 160 N 1.28 0.92 0.51 4.60 0.00 -0.60 0.79 103.07 110.57 3k6k h GLY 160 Ca -0.00 -0.70 0.05 0.00 0.00 0.00 0.00 47.33 46.68 3k6k h GLY 160 CO 0.05 0.64 -0.06 -1.33 0.00 0.00 0.00 176.54 175.83 3k6k h GLY 161 N 0.70 0.17 2.00 4.60 0.00 -1.29 -2.72 103.07 106.53 3k6k h GLY 161 Ca 0.13 0.08 -0.04 0.00 0.00 0.00 0.00 47.33 47.50 3k6k h GLY 161 CO 0.03 -0.10 -0.20 1.41 0.00 0.00 0.00 176.54 177.68 3k6k h LEU 162 N -0.01 0.00 -1.02 3.11 3.38 -0.77 0.24 115.31 120.24 3k6k h LEU 162 Ca 0.12 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.10 3k6k h LEU 162 Cb 0.18 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 3k6k h LEU 162 CO -0.25 0.20 0.66 0.71 0.09 0.00 0.00 178.44 179.85 3k6k h THR 163 N 0.00 1.24 0.04 0.22 1.35 -0.51 0.05 112.91 115.30 3k6k h THR 163 Ca -0.00 -0.46 -0.09 0.00 -0.55 0.00 0.00 66.41 65.30 3k6k h THR 163 Cb 0.37 -0.22 -0.00 0.00 -1.73 0.00 0.00 68.15 66.57 3k6k h THR 163 CO 0.03 0.24 -0.46 0.74 -0.25 0.00 0.00 175.52 175.82 3k6k h THR 164 N 1.34 1.55 -0.07 6.82 2.02 -1.45 -3.22 112.91 119.90 3k6k h THR 164 Ca 0.37 -2.37 0.04 0.00 0.77 0.00 0.00 66.41 65.22 3k6k h THR 164 Cb -0.12 3.14 -0.06 0.00 -1.74 0.00 0.00 68.15 69.37 3k6k h THR 164 CO -0.09 0.60 -0.35 0.00 0.37 0.00 0.00 175.52 176.05 3k6k h ALA 165 N -0.05 -0.47 -1.01 6.16 0.00 -0.45 0.28 119.26 123.71 3k6k h ALA 165 Ca -0.10 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.85 3k6k h ALA 165 Cb 1.24 0.63 -0.06 0.00 0.00 0.00 0.00 17.79 19.60 3k6k h ALA 165 CO 0.01 -0.85 0.65 0.66 0.00 0.00 0.00 179.25 179.73 3k6k h SER 166 N -0.46 1.08 -0.43 0.00 4.64 -1.15 -1.38 113.55 115.85 3k6k h SER 166 Ca 0.08 -0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.25 3k6k h SER 166 Cb 0.58 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 3k6k h SER 166 CO -0.32 0.72 -0.30 0.24 -0.87 0.00 0.00 176.83 176.30 3k6k h MET 167 N 1.24 0.95 -0.91 4.77 2.86 -1.48 0.20 114.93 122.56 3k6k h MET 167 Ca 0.41 -0.46 0.15 0.00 -2.06 0.00 0.00 59.70 57.75 3k6k h MET 167 Cb 0.07 -0.01 -0.10 0.00 0.06 0.00 0.00 31.60 31.62 3k6k h MET 167 CO -0.14 1.12 0.51 -0.07 1.06 0.00 0.00 176.91 179.38 3k6k h LEU 168 N 0.79 0.65 -0.04 1.22 3.38 0.12 -1.07 115.31 120.35 3k6k h LEU 168 Ca 0.08 0.09 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 3k6k h LEU 168 Cb 0.88 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.61 3k6k h LEU 168 CO 0.08 0.27 -0.21 0.50 0.09 0.00 0.00 178.44 179.17 3k6k h LYS 169 N 0.71 0.22 -0.83 1.13 1.63 -0.96 -2.71 116.57 115.75 3k6k h LYS 169 Ca 0.50 -0.18 0.19 0.00 -0.85 0.00 0.00 60.65 60.31 3k6k h LYS 169 Cb 0.69 0.04 -0.15 0.00 -0.60 0.00 0.00 32.23 32.21 3k6k h LYS 169 CO -0.35 0.83 -0.08 0.00 -3.45 0.00 0.00 179.45 176.39 3k6k h ALA 170 N 0.39 0.75 0.01 5.00 0.00 -0.24 -1.71 119.26 123.45 3k6k h ALA 170 Ca -0.01 0.30 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 3k6k h ALA 170 Cb 0.87 0.54 0.00 0.00 0.00 0.00 0.00 17.79 19.21 3k6k h ALA 170 CO 0.04 -0.44 -0.00 -0.22 0.00 0.00 0.00 179.25 178.63 3k6k h LYS 171 N 0.04 -0.01 -0.69 0.00 3.64 -1.01 -1.38 116.57 117.17 3k6k h LYS 171 Ca 0.44 0.00 0.15 0.00 -1.27 0.00 0.00 60.65 59.97 3k6k h LYS 171 Cb 0.76 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 32.48 3k6k h LYS 171 CO -0.79 -0.00 0.10 0.93 -2.27 0.00 0.00 179.45 177.42 3k6k h GLU 172 N -0.02 0.20 0.00 1.90 5.08 -1.03 0.21 114.58 120.92 3k6k h GLU 172 Ca -0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3k6k h GLU 172 Cb 0.01 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.22 3k6k h GLU 172 CO 0.00 0.13 0.00 -0.25 -1.00 0.00 0.00 179.01 177.89 3k6k n ASP 173 N -5.21 0.00 -1.72 1.42 8.00 -0.59 -4.85 116.55 113.60 3k6k n ASP 173 Ca 0.12 -1.26 -0.14 0.00 0.71 0.00 0.00 54.79 54.22 3k6k n ASP 173 Cb 0.41 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.52 3k6k n ASP 173 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3k6k n GLY 174 N 0.30 -0.15 3.87 0.44 0.00 0.72 -5.03 105.19 105.34 3k6k n GLY 174 Ca 0.05 -0.27 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 3k6k n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k6k s LEU 175 N -4.10 3.83 0.37 0.99 1.43 -0.81 -5.02 118.68 115.37 3k6k s LEU 175 Ca 0.08 1.21 -0.26 0.00 -1.03 0.00 0.00 54.13 54.13 3k6k s LEU 175 Cb -0.03 -4.09 -0.09 0.00 0.03 0.00 0.00 46.19 42.01 3k6k s LEU 175 CO 0.10 -0.40 1.07 -2.16 0.23 0.00 0.00 176.35 175.19 3k6k s PRO 176 N -3.77 4.28 0.39 1.29 0.04 -1.26 -4.49 135.00 131.49 3k6k s PRO 176 Ca 0.53 1.62 -0.25 0.00 0.04 0.00 0.00 61.00 62.93 3k6k s PRO 176 Cb -0.10 -2.73 -0.09 0.00 0.04 0.00 0.00 34.50 31.62 3k6k s PRO 176 CO 0.29 -0.06 1.10 -1.64 0.04 0.00 0.00 177.00 176.74 3k6k s MET 177 N -2.19 4.14 0.34 4.56 -1.94 -1.26 -4.93 119.30 118.02 3k6k s MET 177 Ca 0.54 1.67 -0.02 0.00 -1.71 0.00 0.00 55.69 56.17 3k6k s MET 177 Cb -0.25 -2.64 0.07 0.00 2.01 0.00 0.00 34.83 34.02 3k6k s MET 177 CO 0.32 -0.20 0.47 -0.35 -0.01 0.00 0.00 175.02 175.25 3k6k n PRO 178 N 0.07 0.05 0.15 2.03 -0.04 -1.26 -4.72 135.00 131.28 3k6k n PRO 178 Ca 0.04 -1.08 0.00 0.00 -0.04 0.00 0.00 63.50 62.43 3k6k n PRO 178 Cb 0.48 -0.37 0.21 0.00 -0.04 0.00 0.00 33.50 33.78 3k6k n PRO 178 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3k6k h ALA 179 N -0.93 1.00 -1.16 0.55 0.00 -0.25 -3.43 119.26 115.05 3k6k h ALA 179 Ca -0.15 -0.51 0.18 0.00 0.00 0.00 0.00 54.91 54.43 3k6k h ALA 179 Cb 0.52 -0.09 -0.30 0.00 0.00 0.00 0.00 17.79 17.91 3k6k h ALA 179 CO 0.14 0.70 0.83 0.20 0.00 0.00 0.00 179.25 181.13 3k6k s GLY 180 N -4.44 0.19 -0.22 0.00 0.00 -1.25 -4.45 107.32 97.15 3k6k s GLY 180 Ca -0.01 3.15 -0.07 0.00 0.00 0.00 0.00 44.72 47.79 3k6k s GLY 180 CO 0.75 1.64 0.06 1.08 0.00 0.00 0.00 173.10 176.63 3k6k s LEU 181 N -0.32 3.57 -0.19 0.66 1.43 0.21 -1.62 118.68 122.43 3k6k s LEU 181 Ca 0.07 -0.09 -0.04 0.00 -1.03 0.00 0.00 54.13 53.04 3k6k s LEU 181 Cb -0.04 -1.93 -0.02 0.00 0.03 0.00 0.00 46.19 44.23 3k6k s LEU 181 CO -0.11 0.05 -0.04 -0.69 0.23 0.00 0.00 176.35 175.79 3k6k s VAL 182 N 1.08 3.65 -0.07 -1.59 1.01 0.76 -1.00 120.40 124.25 3k6k s VAL 182 Ca 0.04 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.61 3k6k s VAL 182 Cb -0.14 -2.63 0.02 0.00 0.00 0.00 0.00 36.38 33.63 3k6k s VAL 182 CO 0.03 0.45 -0.10 -0.04 0.00 0.00 0.00 175.10 175.44 3k6k s MET 183 N 0.89 1.55 -0.35 2.72 -1.94 -0.23 -1.50 119.30 120.43 3k6k s MET 183 Ca -0.00 -0.34 -0.03 0.00 -1.71 0.00 0.00 55.69 53.61 3k6k s MET 183 Cb -0.15 -1.36 0.08 0.00 2.01 0.00 0.00 34.83 35.41 3k6k s MET 183 CO 0.01 -0.05 0.10 -0.51 -0.01 0.00 0.00 175.02 174.57 3k6k s LEU 184 N 0.91 4.56 -1.30 -0.03 1.02 0.23 -2.21 118.68 121.86 3k6k s LEU 184 Ca -0.10 -1.60 -0.02 0.00 0.02 0.00 0.00 54.13 52.43 3k6k s LEU 184 Cb -0.15 -1.78 0.01 0.00 0.02 0.00 0.00 46.19 44.29 3k6k s LEU 184 CO 0.01 -0.39 0.88 -1.20 0.02 0.00 0.00 176.35 175.66 3k6k n SER 185 N 4.63 -2.36 -4.77 2.29 7.64 -0.42 -1.05 113.62 119.58 3k6k n SER 185 Ca -0.08 -0.72 -0.40 0.00 1.01 0.00 0.00 58.87 58.68 3k6k n SER 185 Cb 0.43 -4.49 0.01 0.00 -1.01 0.00 0.00 64.21 59.15 3k6k n SER 185 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3k6k s PRO 186 N -5.88 3.77 -0.51 1.43 0.04 -1.26 -2.81 135.00 129.78 3k6k s PRO 186 Ca 0.13 2.39 -0.14 0.00 0.04 0.00 0.00 61.00 63.42 3k6k s PRO 186 Cb -0.06 -2.70 0.12 0.00 0.04 0.00 0.00 34.50 31.90 3k6k s PRO 186 CO 0.78 -0.74 0.45 0.12 0.04 0.00 0.00 177.00 177.65 3k6k s PHE 187 N -1.20 3.30 0.00 0.56 5.99 -0.42 -4.59 117.98 121.61 3k6k s PHE 187 Ca 0.59 -1.43 0.00 0.00 0.00 0.00 0.00 56.93 56.09 3k6k s PHE 187 Cb -0.43 -3.66 0.00 0.00 0.00 0.00 0.00 43.02 38.93 3k6k s PHE 187 CO 0.56 -1.00 0.50 1.33 -0.00 0.00 0.00 175.22 176.61 3k6k n VAL 188 N 5.15 0.24 -3.59 3.12 0.24 -1.26 -3.89 118.33 118.34 3k6k n VAL 188 Ca -0.12 -0.42 -0.29 0.00 -2.04 0.00 0.00 64.34 61.47 3k6k n VAL 188 Cb 0.40 1.12 -0.15 0.00 -1.47 0.00 0.00 33.84 33.75 3k6k n VAL 188 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3k6k s ASP 189 N -0.24 3.64 0.00 -1.34 3.68 -1.26 -2.47 116.67 118.67 3k6k s ASP 189 Ca 0.00 -1.48 0.19 0.00 2.13 0.00 0.00 52.55 53.40 3k6k s ASP 189 Cb 0.00 -0.51 1.11 0.00 -1.45 0.00 0.00 42.92 42.07 3k6k s ASP 189 CO 0.00 -0.42 1.72 0.18 0.13 0.00 0.00 175.17 176.78 3k6k n LEU 190 N 5.02 0.13 0.13 -1.34 4.32 -1.26 -2.44 117.00 121.55 3k6k n LEU 190 Ca -0.03 -0.05 0.13 0.00 -0.02 0.00 0.00 56.01 56.03 3k6k n LEU 190 Cb 0.41 -0.01 0.30 0.00 -1.62 0.00 0.00 43.42 42.51 3k6k n LEU 190 CO 0.07 0.03 0.76 0.71 -1.22 0.00 0.00 177.39 177.74 3k6k h THR 191 N 0.18 0.00 -6.68 -5.08 1.35 -1.95 -3.47 112.91 97.25 3k6k h THR 191 Ca 0.00 -0.63 -0.54 0.00 -0.55 0.00 0.00 66.41 64.69 3k6k h THR 191 Cb 0.04 1.55 0.01 0.00 -1.73 0.00 0.00 68.15 68.02 3k6k h THR 191 CO 0.00 0.00 -0.98 0.18 -0.25 0.00 0.00 175.52 174.47 3k6k n LEU 192 N -2.46 -1.23 0.00 3.87 4.77 -1.02 -4.84 117.00 116.08 3k6k n LEU 192 Ca 0.05 -1.19 0.00 0.00 -0.03 0.00 0.00 56.01 54.83 3k6k n LEU 192 Cb 0.46 -1.91 0.00 0.00 -2.33 0.00 0.00 43.42 39.64 3k6k n LEU 192 CO 0.32 0.68 0.13 -1.54 -1.33 0.00 0.00 177.39 175.65 3k6k n SER 193 N -2.38 0.24 -2.33 -1.43 3.41 -1.26 -4.96 113.62 104.91 3k6k n SER 193 Ca -0.12 -1.06 -0.03 0.00 -0.26 0.00 0.00 58.87 57.40 3k6k n SER 193 Cb 0.58 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.55 3k6k n SER 193 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3k6k n ARG 194 N -0.03 0.53 -0.21 4.33 1.74 -1.26 -4.96 116.66 116.80 3k6k n ARG 194 Ca 0.00 -0.36 -0.04 0.00 -0.77 0.00 0.00 57.85 56.68 3k6k n ARG 194 Cb 0.29 -0.09 0.06 0.00 -1.02 0.00 0.00 32.46 31.70 3k6k n ARG 194 CO 0.00 0.00 0.00 2.35 -1.52 0.00 0.00 177.63 178.46 3k6k h TRP 195 N -0.40 0.68 0.01 -1.55 7.01 -1.95 -2.98 115.95 116.76 3k6k h TRP 195 Ca -0.04 0.02 -0.19 0.00 2.11 0.00 0.00 58.89 60.79 3k6k h TRP 195 Cb 0.16 -0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 26.98 3k6k h TRP 195 CO 0.00 0.37 -0.86 0.66 -2.79 0.00 0.00 178.44 175.82 3k6k h SER 196 N 0.71 0.11 -0.97 2.65 4.64 -1.90 -2.05 113.55 116.73 3k6k h SER 196 Ca 0.25 -0.10 0.12 0.00 -0.47 0.00 0.00 61.79 61.59 3k6k h SER 196 Cb 0.06 -0.03 -0.08 0.00 -0.31 0.00 0.00 62.40 62.03 3k6k h SER 196 CO -0.12 0.92 0.60 0.78 -0.87 0.00 0.00 176.83 178.14 3k6k h ASN 197 N 0.04 0.88 0.15 4.97 2.35 -1.33 0.15 115.58 122.79 3k6k h ASN 197 Ca -0.03 0.05 -0.31 0.00 -0.55 0.00 0.00 56.30 55.47 3k6k h ASN 197 Cb 1.50 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.75 3k6k h ASN 197 CO 0.12 0.47 -1.54 0.28 -1.65 0.00 0.00 177.43 175.10 3k6k h SER 198 N 0.95 0.48 1.03 5.81 0.02 -1.67 -3.36 113.55 116.81 3k6k h SER 198 Ca 0.48 -0.89 -0.17 0.00 -0.84 0.00 0.00 61.79 60.37 3k6k h SER 198 Cb 0.48 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 3k6k h SER 198 CO -0.27 1.69 -1.02 0.78 -1.14 0.00 0.00 176.83 176.87 3k6k h ASN 199 N -0.14 0.00 -0.45 3.07 2.35 -0.99 -3.29 115.58 116.13 3k6k h ASN 199 Ca -0.32 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.43 3k6k h ASN 199 Cb 1.90 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.27 3k6k h ASN 199 CO 0.11 0.73 0.00 0.18 -1.65 0.00 0.00 177.43 176.80 3k6k n LEU 200 N -3.16 3.22 0.25 1.61 4.77 0.48 -4.68 117.00 119.50 3k6k n LEU 200 Ca -0.04 -1.93 0.10 0.00 -0.03 0.00 0.00 56.01 54.11 3k6k n LEU 200 Cb 0.86 -0.30 0.66 0.00 -2.33 0.00 0.00 43.42 42.31 3k6k n LEU 200 CO 0.44 0.79 0.97 0.00 -1.33 0.00 0.00 177.39 178.26 3k6k h ALA 201 N 2.85 1.51 0.00 -1.18 0.00 -1.65 0.28 119.26 121.07 3k6k h ALA 201 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3k6k h ALA 201 Cb 0.81 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3k6k h ALA 201 CO 0.00 0.15 0.00 -0.44 0.00 0.00 0.00 179.25 178.96 3k6k h ASP 202 N 0.00 0.00 0.00 0.00 3.32 -1.84 -3.32 116.42 114.57 3k6k h ASP 202 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3k6k h ASP 202 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3k6k h ASP 202 CO 0.02 0.00 -1.11 0.54 -1.72 0.00 0.00 179.24 176.96 3k6k n ARG 203 N -2.54 1.06 -3.48 3.56 1.74 0.05 -4.89 116.66 112.15 3k6k n ARG 203 Ca 0.04 -0.05 -0.41 0.00 -0.77 0.00 0.00 57.85 56.66 3k6k n ARG 203 Cb 0.40 -1.35 -0.10 0.00 -1.02 0.00 0.00 32.46 30.38 3k6k n ARG 203 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3k6k s ASP 204 N -3.05 6.10 0.00 0.55 -1.08 -0.96 -4.84 116.67 113.38 3k6k s ASP 204 Ca 0.03 -0.54 0.21 0.00 -0.52 0.00 0.00 52.55 51.73 3k6k s ASP 204 Cb 0.13 -2.16 -0.19 0.00 -1.46 0.00 0.00 42.92 39.24 3k6k s ASP 204 CO 0.72 -0.32 0.92 0.49 0.52 0.00 0.00 175.17 177.49 3k6k n PHE 205 N 5.18 0.00 -0.11 -5.34 3.72 -1.26 -4.35 117.46 115.30 3k6k n PHE 205 Ca -0.11 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.08 3k6k n PHE 205 Cb 0.49 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.93 3k6k n PHE 205 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3k6k n LEU 206 N -1.26 1.88 -3.75 4.37 4.77 -1.26 -4.69 117.00 117.06 3k6k n LEU 206 Ca 0.05 0.42 -0.37 0.00 -0.03 0.00 0.00 56.01 56.08 3k6k n LEU 206 Cb 0.35 -0.90 -0.02 0.00 -2.33 0.00 0.00 43.42 40.51 3k6k n LEU 206 CO 0.40 0.23 0.73 0.00 -1.33 0.00 0.00 177.39 177.42 3k6k n ALA 207 N -3.72 4.80 -1.80 -1.18 0.00 -1.26 -5.01 120.51 112.33 3k6k n ALA 207 Ca -0.34 -4.79 -0.31 0.00 0.00 0.00 0.00 53.44 48.00 3k6k n ALA 207 Cb 0.67 -1.77 0.02 0.00 0.00 0.00 0.00 19.45 18.37 3k6k n ALA 207 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3k6k s GLU 208 N -2.75 3.38 0.28 0.00 -1.05 -1.26 -4.72 118.70 112.57 3k6k s GLU 208 Ca 0.35 0.78 0.02 0.00 -0.15 0.00 0.00 54.97 55.97 3k6k s GLU 208 Cb 0.10 -2.05 0.65 0.00 -0.44 0.00 0.00 34.13 32.38 3k6k s GLU 208 CO 0.05 -0.73 1.72 -1.35 0.95 0.00 0.00 175.26 175.90 3k6k h PRO 209 N -0.44 0.48 -0.00 -4.83 0.11 -1.91 0.26 132.00 125.67 3k6k h PRO 209 Ca -0.44 -0.03 -0.23 0.00 0.11 0.00 0.00 66.00 65.41 3k6k h PRO 209 Cb 1.20 -0.11 0.01 0.00 0.11 0.00 0.00 31.00 32.21 3k6k h PRO 209 CO 0.61 0.32 -0.96 -0.44 -0.21 0.00 0.00 178.00 177.32 3k6k h ASP 210 N 0.50 0.62 -0.11 -2.05 3.45 -1.98 -0.13 116.42 116.73 3k6k h ASP 210 Ca 0.52 -0.49 -0.01 0.00 0.43 0.00 0.00 57.03 57.47 3k6k h ASP 210 Cb 0.89 -0.19 -0.00 0.00 -0.56 0.00 0.00 39.33 39.47 3k6k h ASP 210 CO -0.46 1.29 0.02 0.00 -1.57 0.00 0.00 179.24 178.52 3k6k h THR 211 N 0.27 1.22 -0.74 0.35 1.03 -1.51 0.70 112.91 114.24 3k6k h THR 211 Ca -0.09 -0.70 -0.02 0.00 -0.01 0.00 0.00 66.41 65.59 3k6k h THR 211 Cb 1.59 1.48 -0.04 0.00 -1.07 0.00 0.00 68.15 70.12 3k6k h THR 211 CO 0.17 0.20 0.37 -0.07 -0.01 0.00 0.00 175.52 176.18 3k6k h LEU 212 N -0.06 0.95 0.18 0.00 3.38 -1.06 0.15 115.31 118.85 3k6k h LEU 212 Ca 0.03 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.92 3k6k h LEU 212 Cb 0.30 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3k6k h LEU 212 CO 0.00 0.79 -0.28 1.23 0.09 0.00 0.00 178.44 180.28 3k6k h GLY 213 N 1.10 -0.56 0.71 0.83 0.00 -0.72 -1.27 103.07 103.16 3k6k h GLY 213 Ca 0.26 0.32 0.03 0.00 0.00 0.00 0.00 47.33 47.94 3k6k h GLY 213 CO -0.04 -0.24 -0.04 -2.09 0.00 0.00 0.00 176.54 174.14 3k6k h GLU 214 N -0.52 -0.00 -0.19 4.80 4.81 0.71 -1.16 114.58 123.02 3k6k h GLU 214 Ca 0.02 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.16 3k6k h GLU 214 Cb 0.52 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 3k6k h GLU 214 CO -0.12 -0.00 -0.25 0.00 -0.73 0.00 0.00 179.01 177.91 3k6k h MET 215 N -0.00 0.36 -0.15 1.92 -0.00 -0.62 0.10 114.93 116.54 3k6k h MET 215 Ca 0.07 -0.13 -0.07 0.00 -0.00 0.00 0.00 59.70 59.57 3k6k h MET 215 Cb 0.11 -0.03 -0.00 0.00 -0.00 0.00 0.00 31.60 31.68 3k6k h MET 215 CO -0.15 0.59 -0.20 0.66 -0.00 0.00 0.00 176.91 177.81 3k6k h SER 216 N 0.32 0.43 -0.29 -0.10 4.64 -1.07 -1.35 113.55 116.13 3k6k h SER 216 Ca 0.05 -0.52 0.06 0.00 -0.47 0.00 0.00 61.79 60.91 3k6k h SER 216 Cb 0.61 -0.12 -0.08 0.00 -0.31 0.00 0.00 62.40 62.50 3k6k h SER 216 CO 0.04 0.86 -0.45 -0.08 -0.87 0.00 0.00 176.83 176.34 3k6k h GLU 217 N 0.01 -0.40 -0.38 4.77 4.81 -1.05 -0.22 114.58 122.12 3k6k h GLU 217 Ca 0.02 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 3k6k h GLU 217 Cb 0.76 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.22 3k6k h GLU 217 CO 0.05 -0.27 0.15 -0.07 -0.73 0.00 0.00 179.01 178.14 3k6k h LEU 218 N -0.41 0.53 -0.15 1.64 3.38 -0.93 0.11 115.31 119.48 3k6k h LEU 218 Ca 0.10 -0.17 -0.16 0.00 0.09 0.00 0.00 57.88 57.73 3k6k h LEU 218 Cb 0.61 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.23 3k6k h LEU 218 CO -0.50 0.56 -0.55 0.22 0.09 0.00 0.00 178.44 178.26 3k6k h TYR 219 N 0.47 0.84 0.32 1.13 -0.00 -1.23 -3.32 116.97 115.18 3k6k h TYR 219 Ca 0.13 -0.35 -0.02 0.00 -0.00 0.00 0.00 58.73 58.49 3k6k h TYR 219 Cb 0.20 -0.14 0.00 0.00 -0.00 0.00 0.00 36.73 36.80 3k6k h TYR 219 CO 0.00 1.14 -0.15 0.28 -0.00 0.00 0.00 178.16 179.43 3k6k h VAL 220 N 0.29 0.64 0.00 1.81 2.07 -1.04 -3.41 116.25 116.62 3k6k h VAL 220 Ca -0.03 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.86 3k6k h VAL 220 Cb 1.18 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 3k6k h VAL 220 CO 0.12 0.12 0.00 0.61 0.02 0.00 0.00 177.57 178.43 3k6k n GLY 221 N -0.20 3.03 0.32 2.17 0.00 0.02 -1.41 105.19 109.12 3k6k n GLY 221 Ca -0.09 0.28 0.21 0.00 0.00 0.00 0.00 46.02 46.42 3k6k n GLY 221 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3k6k h GLY 222 N 0.00 0.00 -1.20 -0.02 0.00 -1.90 -3.46 103.07 96.49 3k6k h GLY 222 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.87 3k6k h GLY 222 CO 0.00 0.00 0.23 -0.54 0.00 0.00 0.00 176.54 176.23 3k6k s GLU 223 N -4.08 1.38 -0.02 4.80 0.41 -0.50 -5.04 118.70 115.66 3k6k s GLU 223 Ca -0.05 -0.78 -0.30 0.00 -0.41 0.00 0.00 54.97 53.43 3k6k s GLU 223 Cb 0.12 -2.15 -0.03 0.00 -1.78 0.00 0.00 34.13 30.29 3k6k s GLU 223 CO 0.38 -1.75 1.03 0.34 -0.49 0.00 0.00 175.26 174.77 3k6k s ASP 224 N -4.76 7.28 0.39 -0.19 -1.08 -1.26 -4.97 116.67 112.07 3k6k s ASP 224 Ca 0.68 1.69 0.13 0.00 -0.52 0.00 0.00 52.55 54.53 3k6k s ASP 224 Cb -0.05 -2.57 0.94 0.00 -1.46 0.00 0.00 42.92 39.78 3k6k s ASP 224 CO 0.47 -0.36 1.87 0.03 0.52 0.00 0.00 175.17 177.71 3k6k h ARG 225 N 6.92 0.54 -0.53 4.34 3.08 -1.95 -2.69 114.38 124.08 3k6k h ARG 225 Ca -0.38 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.64 3k6k h ARG 225 Cb 1.20 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.13 3k6k h ARG 225 CO 0.79 0.36 0.00 1.63 -1.07 0.00 0.00 179.97 181.68 3k6k n LYS 226 N -4.54 2.29 -1.66 0.04 5.02 -1.26 -4.08 118.16 113.96 3k6k n LYS 226 Ca 0.18 -1.90 -0.57 0.00 -2.02 0.00 0.00 58.31 53.99 3k6k n LYS 226 Cb 0.55 -1.44 -0.07 0.00 -0.02 0.00 0.00 35.03 34.05 3k6k n LYS 226 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3k6k n ASN 227 N 1.01 1.92 0.11 4.39 4.05 -1.02 -4.74 115.26 121.00 3k6k n ASN 227 Ca 0.18 1.10 0.10 0.00 0.45 0.00 0.00 54.58 56.41 3k6k n ASN 227 Cb 0.47 -1.12 0.59 0.00 1.23 0.00 0.00 39.78 40.94 3k6k n ASN 227 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 3k6k h PRO 228 N 5.95 0.15 0.00 1.20 0.11 -1.85 0.43 132.00 137.98 3k6k h PRO 228 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3k6k h PRO 228 Cb 1.33 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3k6k h PRO 228 CO 0.89 0.10 0.00 1.28 -0.21 0.00 0.00 178.00 180.05 3k6k n LEU 229 N -4.49 0.78 -0.13 2.35 4.32 -1.26 -3.04 117.00 115.53 3k6k n LEU 229 Ca 0.02 0.59 -0.25 0.00 -0.02 0.00 0.00 56.01 56.36 3k6k n LEU 229 Cb 0.23 -0.37 -0.10 0.00 -1.62 0.00 0.00 43.42 41.56 3k6k n LEU 229 CO 0.35 -0.25 -1.36 -0.38 -1.22 0.00 0.00 177.39 174.52 3k6k n ILE 230 N -2.25 1.41 -3.84 -0.08 5.41 0.12 -4.73 119.36 115.39 3k6k n ILE 230 Ca 0.05 -0.40 -0.32 0.00 1.00 0.00 0.00 62.75 63.08 3k6k n ILE 230 Cb 0.39 -1.73 -0.11 0.00 -0.71 0.00 0.00 39.64 37.48 3k6k n ILE 230 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 3k6k s SER 231 N -7.08 4.90 0.57 4.38 0.01 0.79 -4.72 113.70 112.54 3k6k s SER 231 Ca -0.35 -3.32 0.27 0.00 1.31 0.00 0.00 55.95 53.86 3k6k s SER 231 Cb 0.13 -1.73 1.55 0.00 0.21 0.00 0.00 66.02 66.17 3k6k s SER 231 CO 0.48 -0.21 2.06 -0.65 0.41 0.00 0.00 173.24 175.33 3k6k h PRO 232 N 6.24 0.00 -1.35 12.44 0.11 -1.40 0.12 132.00 148.16 3k6k h PRO 232 Ca 0.03 0.00 0.45 0.00 0.11 0.00 0.00 66.00 66.59 3k6k h PRO 232 Cb 0.85 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 31.85 3k6k h PRO 232 CO 0.73 0.00 0.89 0.28 -0.21 0.00 0.00 178.00 179.68 3k6k n VAL 233 N -4.00 -0.19 1.43 3.15 0.31 -1.16 0.85 118.33 118.72 3k6k n VAL 233 Ca 0.04 1.60 0.12 0.00 -0.01 0.00 0.00 64.34 66.08 3k6k n VAL 233 Cb 0.39 -2.62 0.48 0.00 -0.91 0.00 0.00 33.84 31.18 3k6k n VAL 233 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3k6k n TYR 234 N -4.40 0.10 -2.13 3.52 4.01 0.03 -4.97 117.16 113.33 3k6k n TYR 234 Ca 0.37 -0.05 -0.28 0.00 -0.16 0.00 0.00 57.90 57.78 3k6k n TYR 234 Cb 1.50 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 40.57 3k6k n TYR 234 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3k6k s ALA 235 N -1.90 3.07 -0.58 -0.72 0.00 0.25 -4.74 121.76 117.14 3k6k s ALA 235 Ca 0.35 -0.59 -0.26 0.00 0.00 0.00 0.00 51.96 51.46 3k6k s ALA 235 Cb 0.19 -2.79 0.04 0.00 0.00 0.00 0.00 23.12 20.55 3k6k s ALA 235 CO 0.29 -1.07 1.07 0.34 0.00 0.00 0.00 175.76 176.39 3k6k s ASP 236 N -4.38 6.37 0.00 0.00 2.15 -1.26 -4.90 116.67 114.66 3k6k s ASP 236 Ca 0.57 -0.17 0.26 0.00 0.43 0.00 0.00 52.55 53.63 3k6k s ASP 236 Cb -0.11 -2.49 0.58 0.00 -0.30 0.00 0.00 42.92 40.60 3k6k s ASP 236 CO 0.48 -1.37 1.46 0.18 -0.17 0.00 0.00 175.17 175.75 3k6k n LEU 237 N 7.99 1.49 -4.75 -1.34 4.77 -1.26 -4.96 117.00 118.93 3k6k n LEU 237 Ca 0.05 -0.47 -0.41 0.00 -0.03 0.00 0.00 56.01 55.14 3k6k n LEU 237 Cb 0.48 -0.06 0.01 0.00 -2.33 0.00 0.00 43.42 41.51 3k6k n LEU 237 CO 0.67 0.27 1.06 -1.54 -1.33 0.00 0.00 177.39 176.52 3k6k n SER 238 N -0.22 3.37 0.00 -1.43 3.41 -1.26 -2.82 113.62 114.68 3k6k n SER 238 Ca 0.13 1.18 0.00 0.00 -0.26 0.00 0.00 58.87 59.92 3k6k n SER 238 Cb 0.40 -1.58 0.00 0.00 -0.26 0.00 0.00 64.21 62.76 3k6k n SER 238 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k6k n GLY 239 N 0.57 1.64 3.76 5.00 0.00 -1.26 -5.07 105.19 109.83 3k6k n GLY 239 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 3k6k n GLY 239 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k6k s LEU 240 N 0.00 3.81 0.00 0.99 1.43 -1.13 -4.98 118.68 118.80 3k6k s LEU 240 Ca 0.00 2.39 -0.08 0.00 -1.03 0.00 0.00 54.13 55.41 3k6k s LEU 240 Cb 0.00 -4.44 0.12 0.00 0.03 0.00 0.00 46.19 41.90 3k6k s LEU 240 CO 0.00 -1.34 0.46 -0.81 0.23 0.00 0.00 176.35 174.89 3k6k n PRO 241 N -1.14 -1.77 -2.38 1.29 -0.04 -1.26 -4.75 135.00 124.95 3k6k n PRO 241 Ca 0.11 -0.73 -0.36 0.00 -0.04 0.00 0.00 63.50 62.48 3k6k n PRO 241 Cb 0.49 -0.66 -0.02 0.00 -0.04 0.00 0.00 33.50 33.27 3k6k n PRO 241 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3k6k s GLU 242 N -4.03 3.77 -0.07 0.54 2.02 -1.26 -4.67 118.70 114.99 3k6k s GLU 242 Ca 0.29 1.60 0.05 0.00 0.02 0.00 0.00 54.97 56.93 3k6k s GLU 242 Cb -0.03 -2.29 -0.01 0.00 0.10 0.00 0.00 34.13 31.91 3k6k s GLU 242 CO 0.22 -0.50 -0.24 -1.64 0.02 0.00 0.00 175.26 173.13 3k6k s MET 243 N -2.89 2.75 -0.15 1.61 -1.94 0.12 0.68 119.30 119.48 3k6k s MET 243 Ca 0.65 -0.88 -0.01 0.00 -1.71 0.00 0.00 55.69 53.74 3k6k s MET 243 Cb -0.24 -2.24 -0.01 0.00 2.01 0.00 0.00 34.83 34.36 3k6k s MET 243 CO 0.28 0.32 -0.12 -1.17 -0.01 0.00 0.00 175.02 174.32 3k6k s LEU 244 N 0.00 2.67 -0.17 -0.03 2.96 -0.17 -0.96 118.68 122.99 3k6k s LEU 244 Ca -0.08 -0.38 0.01 0.00 -0.22 0.00 0.00 54.13 53.45 3k6k s LEU 244 Cb -0.15 -1.62 0.03 0.00 0.50 0.00 0.00 46.19 44.95 3k6k s LEU 244 CO 0.05 0.11 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.44 3k6k s ILE 245 N 0.69 1.58 0.04 6.68 1.01 0.28 -1.07 121.20 130.42 3k6k s ILE 245 Ca -0.06 -0.81 0.03 0.00 0.00 0.00 0.00 60.65 59.80 3k6k s ILE 245 Cb -0.15 -1.58 -0.04 0.00 0.01 0.00 0.00 42.46 40.69 3k6k s ILE 245 CO 0.02 0.30 0.03 -1.00 0.00 0.00 0.00 174.94 174.30 3k6k s HIS 246 N 1.45 3.11 -0.05 3.97 3.76 -0.94 -1.02 115.29 125.57 3k6k s HIS 246 Ca 0.02 0.07 -0.26 0.00 -0.15 0.00 0.00 55.06 54.73 3k6k s HIS 246 Cb -0.15 -1.63 0.06 0.00 1.11 0.00 0.00 32.58 31.97 3k6k s HIS 246 CO -0.09 0.49 0.59 0.54 -0.85 0.00 0.00 174.74 175.42 3k6k s VAL 247 N -1.24 0.01 0.52 -0.90 0.11 -0.94 -1.30 120.40 116.65 3k6k s VAL 247 Ca 0.24 -0.12 -0.11 0.00 -2.93 0.00 0.00 61.98 59.06 3k6k s VAL 247 Cb -0.12 -0.90 -0.06 0.00 -1.53 0.00 0.00 36.38 33.78 3k6k s VAL 247 CO 0.16 -0.06 0.91 -0.83 -3.33 0.00 0.00 175.10 171.95 3k6k s GLY 248 N -1.13 1.80 0.34 6.54 0.00 -1.26 -1.82 107.32 111.79 3k6k s GLY 248 Ca -0.11 -0.12 0.02 0.00 0.00 0.00 0.00 44.72 44.52 3k6k s GLY 248 CO 0.08 0.12 1.94 1.48 0.00 0.00 0.00 173.10 176.71 3k6k h SER 249 N 0.47 0.65 -0.31 1.64 4.64 -1.23 -3.32 113.55 116.09 3k6k h SER 249 Ca -0.46 -0.07 -0.26 0.00 -0.47 0.00 0.00 61.79 60.53 3k6k h SER 249 Cb 1.19 -0.17 -0.10 0.00 -0.31 0.00 0.00 62.40 63.02 3k6k h SER 249 CO 0.62 0.57 -0.11 -0.62 -0.87 0.00 0.00 176.83 176.43 3k6k n GLU 250 N -4.36 2.01 -4.32 4.77 -0.58 0.29 -4.89 120.64 113.56 3k6k n GLU 250 Ca 0.04 -1.30 -0.33 0.00 -0.42 0.00 0.00 57.16 55.15 3k6k n GLU 250 Cb 0.14 -1.93 -0.16 0.00 -0.57 0.00 0.00 31.44 28.92 3k6k n GLU 250 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3k6k s GLU 251 N 0.04 3.00 0.53 3.49 2.02 -1.25 -4.16 118.70 122.37 3k6k s GLU 251 Ca 0.57 -0.84 0.24 0.00 0.02 0.00 0.00 54.97 54.96 3k6k s GLU 251 Cb 0.30 -2.52 1.46 0.00 0.10 0.00 0.00 34.13 33.47 3k6k s GLU 251 CO -0.06 -0.14 2.13 0.00 0.02 0.00 0.00 175.26 177.21 3k6k h ALA 252 N 7.72 1.57 -0.51 5.21 0.00 -1.82 -1.31 119.26 130.13 3k6k h ALA 252 Ca -0.41 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3k6k h ALA 252 Cb 1.16 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3k6k h ALA 252 CO 0.61 0.09 0.00 1.28 0.00 0.00 0.00 179.25 181.23 3k6k n LEU 253 N -4.01 4.14 -0.15 0.00 4.77 -1.26 -2.59 117.00 117.90 3k6k n LEU 253 Ca -0.03 -2.09 -0.02 0.00 -0.03 0.00 0.00 56.01 53.84 3k6k n LEU 253 Cb 0.16 -0.55 0.06 0.00 -2.33 0.00 0.00 43.42 40.76 3k6k n LEU 253 CO 0.31 0.64 0.85 0.25 -1.33 0.00 0.00 177.39 178.11 3k6k h LEU 254 N 3.27 -0.20 -2.31 2.23 5.85 -1.54 -1.16 115.31 121.45 3k6k h LEU 254 Ca 0.00 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 3k6k h LEU 254 Cb 1.34 0.20 -0.00 0.00 0.37 0.00 0.00 40.66 42.57 3k6k h LEU 254 CO 0.24 -0.07 -0.04 0.28 -0.34 0.00 0.00 178.44 178.51 3k6k h SER 255 N 0.12 0.00 -0.21 1.25 0.02 -1.82 -0.85 113.55 112.06 3k6k h SER 255 Ca 0.25 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.13 3k6k h SER 255 Cb 0.37 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 3k6k h SER 255 CO -0.41 0.04 -0.07 0.44 -1.14 0.00 0.00 176.83 175.70 3k6k h ASP 256 N 0.00 0.53 -0.22 3.07 3.45 -1.53 0.54 116.42 122.26 3k6k h ASP 256 Ca -0.00 -0.13 -0.16 0.00 0.43 0.00 0.00 57.03 57.18 3k6k h ASP 256 Cb 0.18 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 38.81 3k6k h ASP 256 CO 0.01 0.65 -0.48 0.28 -1.57 0.00 0.00 179.24 178.13 3k6k h SER 257 N 0.52 0.80 1.33 6.45 0.02 -1.09 -1.14 113.55 120.44 3k6k h SER 257 Ca 0.10 -0.55 -0.14 0.00 -0.84 0.00 0.00 61.79 60.36 3k6k h SER 257 Cb 0.45 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 3k6k h SER 257 CO 0.02 1.21 -0.67 0.71 -1.14 0.00 0.00 176.83 176.96 3k6k h THR 258 N 0.43 1.16 -0.07 -2.27 1.35 -1.26 -1.96 112.91 110.29 3k6k h THR 258 Ca 0.00 -2.63 -0.25 0.00 -0.55 0.00 0.00 66.41 62.98 3k6k h THR 258 Cb 1.08 2.57 0.02 0.00 -1.73 0.00 0.00 68.15 70.09 3k6k h THR 258 CO 0.11 0.66 -0.93 0.74 -0.25 0.00 0.00 175.52 175.84 3k6k h THR 259 N 0.00 1.28 -0.44 6.82 2.02 -0.98 0.12 112.91 121.73 3k6k h THR 259 Ca -0.01 -2.12 0.02 0.00 0.77 0.00 0.00 66.41 65.07 3k6k h THR 259 Cb 1.52 2.20 -0.03 0.00 -1.74 0.00 0.00 68.15 70.10 3k6k h THR 259 CO 0.09 0.67 0.25 0.25 0.37 0.00 0.00 175.52 177.14 3k6k h LEU 260 N 0.46 0.39 0.27 2.58 6.46 -1.10 0.03 115.31 124.41 3k6k h LEU 260 Ca -0.10 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.68 3k6k h LEU 260 Cb 1.57 -0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 41.40 3k6k h LEU 260 CO 0.19 0.28 -0.33 0.00 -0.62 0.00 0.00 178.44 177.96 3k6k h ALA 261 N 1.20 -0.66 -0.49 1.25 0.00 -1.29 0.21 119.26 119.48 3k6k h ALA 261 Ca 0.18 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.09 3k6k h ALA 261 Cb 0.03 0.49 -0.10 0.00 0.00 0.00 0.00 17.79 18.21 3k6k h ALA 261 CO -0.09 -0.91 -0.30 1.49 0.00 0.00 0.00 179.25 179.44 3k6k h GLU 262 N -0.64 -0.17 0.12 0.00 4.81 -0.36 0.12 114.58 118.45 3k6k h GLU 262 Ca -0.00 0.01 -0.27 0.00 -0.13 0.00 0.00 59.36 58.96 3k6k h GLU 262 Cb 0.61 0.04 0.01 0.00 0.63 0.00 0.00 28.75 30.03 3k6k h GLU 262 CO -0.10 -0.12 -1.22 0.00 -0.73 0.00 0.00 179.01 176.85 3k6k h ARG 263 N -0.18 0.32 -0.21 1.92 2.47 -0.86 -0.93 114.38 116.90 3k6k h ARG 263 Ca 0.21 -0.51 -0.08 0.00 -1.26 0.00 0.00 59.98 58.34 3k6k h ARG 263 Cb 0.53 0.18 -0.00 0.00 -1.65 0.00 0.00 29.97 29.02 3k6k h ARG 263 CO -0.60 1.23 -0.20 0.00 0.56 0.00 0.00 179.97 180.96 3k6k h ALA 264 N 0.56 0.31 -0.24 0.04 0.00 -0.49 -1.59 119.26 117.85 3k6k h ALA 264 Ca -0.14 -0.35 0.03 0.00 0.00 0.00 0.00 54.91 54.45 3k6k h ALA 264 Cb 1.93 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.62 3k6k h ALA 264 CO 0.20 0.24 0.05 0.78 0.00 0.00 0.00 179.25 180.52 3k6k h GLY 265 N 0.19 0.27 0.39 0.00 0.00 -0.78 -0.87 103.07 102.27 3k6k h GLY 265 Ca 0.04 -0.02 0.13 0.00 0.00 0.00 0.00 47.33 47.48 3k6k h GLY 265 CO 0.05 -0.00 0.58 0.00 0.00 0.00 0.00 176.54 177.17 3k6k h ALA 266 N 1.17 1.46 0.00 3.60 0.00 -1.10 0.47 119.26 124.87 3k6k h ALA 266 Ca 0.11 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3k6k h ALA 266 Cb 0.11 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3k6k h ALA 266 CO -0.14 0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.23 3k6k n ALA 267 N -2.36 2.34 -0.48 0.00 0.00 -0.61 -4.86 120.51 114.55 3k6k n ALA 267 Ca 0.19 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3k6k n ALA 267 Cb 0.39 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.47 3k6k n ALA 267 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k6k n GLY 268 N 0.44 0.71 3.77 0.00 0.00 0.16 -4.20 105.19 106.06 3k6k n GLY 268 Ca 0.17 -0.51 -0.39 0.00 0.00 0.00 0.00 46.02 45.29 3k6k n GLY 268 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k6k s VAL 269 N -2.00 4.83 -0.03 1.61 1.01 -0.40 -4.87 120.40 120.56 3k6k s VAL 269 Ca 0.00 1.29 -0.30 0.00 0.00 0.00 0.00 61.98 62.97 3k6k s VAL 269 Cb 0.00 -3.95 -0.07 0.00 0.00 0.00 0.00 36.38 32.37 3k6k s VAL 269 CO 0.00 0.45 1.77 -0.55 0.00 0.00 0.00 175.10 176.77 3k6k s SER 270 N -0.43 6.57 -0.04 3.32 0.15 -1.26 -4.14 113.70 117.87 3k6k s SER 270 Ca 0.31 2.36 0.06 0.00 0.70 0.00 0.00 55.95 59.38 3k6k s SER 270 Cb -0.19 -2.53 -0.01 0.00 -1.71 0.00 0.00 66.02 61.58 3k6k s SER 270 CO 0.18 -0.99 -0.22 -0.69 1.20 0.00 0.00 173.24 172.72 3k6k s VAL 271 N 4.27 1.77 -0.10 4.45 1.01 -1.26 -0.70 120.40 129.83 3k6k s VAL 271 Ca 0.79 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.86 3k6k s VAL 271 Cb -0.36 -1.49 0.02 0.00 0.00 0.00 0.00 36.38 34.55 3k6k s VAL 271 CO 0.34 0.50 -0.13 -1.61 0.00 0.00 0.00 175.10 174.20 3k6k s GLU 272 N -0.22 1.94 -0.10 2.72 2.02 -0.13 -4.97 118.70 119.94 3k6k s GLU 272 Ca 0.00 -0.45 0.04 0.00 0.02 0.00 0.00 54.97 54.58 3k6k s GLU 272 Cb -0.11 -1.72 0.00 0.00 0.10 0.00 0.00 34.13 32.40 3k6k s GLU 272 CO 0.02 -0.11 -0.23 -1.17 0.02 0.00 0.00 175.26 173.79 3k6k s LEU 273 N 1.14 2.06 -0.11 1.80 0.20 -1.26 -0.55 118.68 121.95 3k6k s LEU 273 Ca -0.04 -0.55 0.01 0.00 0.69 0.00 0.00 54.13 54.24 3k6k s LEU 273 Cb -0.14 -1.37 0.02 0.00 -0.43 0.00 0.00 46.19 44.26 3k6k s LEU 273 CO -0.03 0.13 -0.14 -0.75 -0.29 0.00 0.00 176.35 175.28 3k6k s LYS 274 N 0.46 2.10 -0.14 1.98 2.20 -0.19 -4.99 119.74 121.16 3k6k s LYS 274 Ca -0.16 -0.51 -0.04 0.00 -0.36 0.00 0.00 55.97 54.89 3k6k s LYS 274 Cb -0.17 -1.85 -0.03 0.00 -1.51 0.00 0.00 37.83 34.26 3k6k s LYS 274 CO 0.07 -0.12 0.02 0.42 -0.36 0.00 0.00 175.35 175.38 3k6k s ILE 275 N 1.15 4.45 -0.35 5.43 1.01 -1.26 -2.22 121.20 129.41 3k6k s ILE 275 Ca -0.03 -0.17 -0.03 0.00 0.00 0.00 0.00 60.65 60.41 3k6k s ILE 275 Cb -0.14 -2.94 0.07 0.00 0.01 0.00 0.00 42.46 39.46 3k6k s ILE 275 CO -0.04 0.53 0.10 0.26 0.00 0.00 0.00 174.94 175.79 3k6k s TRP 276 N -0.17 3.40 0.21 3.97 0.52 -0.76 -4.90 118.94 121.21 3k6k s TRP 276 Ca 0.06 -2.04 -0.32 0.00 0.02 0.00 0.00 56.10 53.81 3k6k s TRP 276 Cb -0.12 -2.58 -0.13 0.00 -1.15 0.00 0.00 33.47 29.48 3k6k s TRP 276 CO 0.02 -0.86 1.52 -0.35 0.02 0.00 0.00 176.95 177.29 3k6k n PRO 277 N 4.63 2.19 -0.82 4.98 -0.04 -1.26 -1.94 135.00 142.74 3k6k n PRO 277 Ca -0.08 0.78 0.00 0.00 -0.04 0.00 0.00 63.50 64.16 3k6k n PRO 277 Cb 0.43 -2.51 0.00 0.00 -0.04 0.00 0.00 33.50 31.37 3k6k n PRO 277 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3k6k n ASP 278 N 2.80 0.00 -4.74 3.54 8.00 -1.26 -4.88 116.55 120.01 3k6k n ASP 278 Ca 0.14 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.23 3k6k n ASP 278 Cb 0.31 -0.40 -0.05 0.00 -0.02 0.00 0.00 41.12 40.96 3k6k n ASP 278 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3k6k s MET 279 N -0.15 4.61 0.91 -1.24 -1.94 -0.99 -4.78 119.30 115.72 3k6k s MET 279 Ca 0.00 1.27 -0.13 0.00 -1.71 0.00 0.00 55.69 55.12 3k6k s MET 279 Cb 0.00 -3.36 0.17 0.00 2.01 0.00 0.00 34.83 33.65 3k6k s MET 279 CO 0.00 0.26 1.26 -1.25 -0.01 0.00 0.00 175.02 175.28 3k6k s PRO 280 N -0.09 0.96 -0.27 2.03 0.04 -1.26 -0.55 135.00 135.85 3k6k s PRO 280 Ca 0.43 -0.43 -0.43 0.00 0.04 0.00 0.00 61.00 60.61 3k6k s PRO 280 Cb -0.22 -1.92 -0.19 0.00 0.04 0.00 0.00 34.50 32.21 3k6k s PRO 280 CO 0.27 -2.18 1.50 1.58 0.04 0.00 0.00 177.00 178.21 3k6k n HIS 281 N -3.58 1.57 -3.96 0.56 -0.00 -1.26 -2.14 115.22 106.41 3k6k n HIS 281 Ca 0.14 0.92 -0.29 0.00 -0.00 0.00 0.00 57.72 58.49 3k6k n HIS 281 Cb 0.60 -2.27 -0.02 0.00 -0.00 0.00 0.00 29.99 28.30 3k6k n HIS 281 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3k6k n VAL 282 N 3.45 -3.28 0.13 3.57 0.31 -1.26 -4.83 118.33 116.42 3k6k n VAL 282 Ca 0.26 -0.60 0.08 0.00 -0.01 0.00 0.00 64.34 64.07 3k6k n VAL 282 Cb 0.05 -2.72 0.42 0.00 -0.91 0.00 0.00 33.84 30.68 3k6k n VAL 282 CO 0.00 0.00 0.00 2.22 -1.32 0.00 0.00 176.83 177.73 3k6k n PHE 283 N -4.45 0.52 0.86 3.52 1.16 -0.91 -2.12 117.46 116.03 3k6k n PHE 283 Ca -0.26 0.27 0.09 0.00 -1.87 0.00 0.00 57.45 55.69 3k6k n PHE 283 Cb 0.66 -0.87 0.46 0.00 -1.61 0.00 0.00 39.48 38.12 3k6k n PHE 283 CO 0.00 0.00 0.00 1.04 -1.87 0.00 0.00 176.76 175.93 3k6k n GLN 284 N -2.05 0.25 0.17 3.97 3.00 -1.26 -2.03 117.38 119.43 3k6k n GLN 284 Ca -0.01 0.12 0.13 0.00 -0.01 0.00 0.00 57.00 57.23 3k6k n GLN 284 Cb 0.11 -1.50 0.39 0.00 0.00 0.00 0.00 30.24 29.25 3k6k n GLN 284 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.06 177.58 3k6k h MET 285 N 0.00 0.00 -0.28 -1.09 2.86 -1.79 -3.38 114.93 111.25 3k6k h MET 285 Ca 0.00 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.49 3k6k h MET 285 Cb 0.18 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 31.75 3k6k h MET 285 CO 0.00 0.00 -0.20 0.66 1.06 0.00 0.00 176.91 178.43 3k6k n TYR 286 N -2.63 0.88 0.31 -0.22 4.02 -0.86 -4.71 117.16 113.95 3k6k n TYR 286 Ca 0.04 -1.62 0.17 0.00 -0.01 0.00 0.00 57.90 56.48 3k6k n TYR 286 Cb 0.41 -0.44 0.87 0.00 -0.02 0.00 0.00 39.34 40.16 3k6k n TYR 286 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 3k6k h GLY 287 N 1.03 0.00 1.84 2.72 0.00 -1.74 0.51 103.07 107.43 3k6k h GLY 287 Ca 0.18 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.46 3k6k h GLY 287 CO 0.32 0.00 -0.14 1.70 0.00 0.00 0.00 176.54 178.42 3k6k h LYS 288 N 0.00 0.20 0.00 4.80 1.63 -1.95 -3.35 116.57 117.90 3k6k h LYS 288 Ca 0.02 -0.04 -0.20 0.00 -0.85 0.00 0.00 60.65 59.57 3k6k h LYS 288 Cb 0.59 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 32.16 3k6k h LYS 288 CO -0.00 0.34 -1.91 1.19 -3.45 0.00 0.00 179.45 175.63 3k6k n PHE 289 N -4.28 0.00 -3.71 1.91 3.01 0.17 -4.90 117.46 109.65 3k6k n PHE 289 Ca -0.01 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.33 3k6k n PHE 289 Cb 0.26 -0.62 -0.12 0.00 -0.01 0.00 0.00 39.48 38.99 3k6k n PHE 289 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 3k6k s VAL 290 N -2.48 -0.11 -0.82 -4.37 -7.23 -0.40 -3.02 120.40 101.97 3k6k s VAL 290 Ca -0.07 0.15 0.22 0.00 -1.81 0.00 0.00 61.98 60.48 3k6k s VAL 290 Cb 0.05 -0.46 0.21 0.00 0.56 0.00 0.00 36.38 36.75 3k6k s VAL 290 CO 0.58 0.06 1.70 -3.20 -0.31 0.00 0.00 175.10 173.94 3k6k n ASN 291 N 4.44 0.32 0.18 4.85 4.05 -1.26 -2.51 115.26 125.32 3k6k n ASN 291 Ca -0.22 0.56 0.14 0.00 0.45 0.00 0.00 54.58 55.51 3k6k n ASN 291 Cb 0.53 -0.63 0.71 0.00 1.23 0.00 0.00 39.78 41.62 3k6k n ASN 291 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3k6k h ALA 292 N 2.57 2.08 -0.46 5.20 0.00 -1.95 -2.40 119.26 124.30 3k6k h ALA 292 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3k6k h ALA 292 Cb 0.43 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3k6k h ALA 292 CO 0.00 -0.25 0.19 0.00 0.00 0.00 0.00 179.25 179.19 3k6k h ALA 293 N 1.88 0.60 -0.61 0.00 0.00 -1.74 -0.75 119.26 118.64 3k6k h ALA 293 Ca 0.09 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 3k6k h ALA 293 Cb 0.39 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3k6k h ALA 293 CO -0.00 0.20 0.07 -0.44 0.00 0.00 0.00 179.25 179.08 3k6k h ASP 294 N 0.60 0.97 -0.01 0.00 3.45 -1.65 -1.75 116.42 118.02 3k6k h ASP 294 Ca 0.15 -0.23 -0.00 0.00 0.43 0.00 0.00 57.03 57.38 3k6k h ASP 294 Cb 0.19 -0.26 -0.00 0.00 -0.56 0.00 0.00 39.33 38.70 3k6k h ASP 294 CO -0.01 0.98 0.01 0.40 -1.57 0.00 0.00 179.24 179.05 3k6k h ILE 295 N 0.94 1.15 -0.32 0.35 2.04 -1.26 -0.19 117.51 120.23 3k6k h ILE 295 Ca 0.18 -0.45 0.05 0.00 1.00 0.00 0.00 64.86 65.65 3k6k h ILE 295 Cb 0.45 1.43 -0.05 0.00 -0.74 0.00 0.00 36.82 37.91 3k6k h ILE 295 CO 0.02 0.12 0.02 -1.28 0.00 0.00 0.00 178.15 177.02 3k6k h SER 296 N -0.16 -0.09 -0.51 1.72 0.87 -1.11 -1.59 113.55 112.67 3k6k h SER 296 Ca 0.00 0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.63 3k6k h SER 296 Cb 0.19 0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 3k6k h SER 296 CO -0.00 -0.01 0.31 0.40 -0.53 0.00 0.00 176.83 177.00 3k6k h ILE 297 N 0.11 1.16 -0.33 2.23 2.04 -1.04 0.16 117.51 121.84 3k6k h ILE 297 Ca 0.15 -0.35 0.07 0.00 1.00 0.00 0.00 64.86 65.74 3k6k h ILE 297 Cb 0.20 0.46 -0.08 0.00 -0.74 0.00 0.00 36.82 36.65 3k6k h ILE 297 CO -0.24 0.16 -0.24 0.50 0.00 0.00 0.00 178.15 178.33 3k6k h LYS 298 N 0.69 -0.19 -0.39 2.37 1.63 -0.68 0.28 116.57 120.27 3k6k h LYS 298 Ca 0.18 0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.97 3k6k h LYS 298 Cb -0.02 0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.64 3k6k h LYS 298 CO -0.03 -0.13 0.14 0.93 -3.45 0.00 0.00 179.45 176.91 3k6k h GLU 299 N -0.20 0.59 -0.81 1.90 5.08 -0.97 0.83 114.58 121.00 3k6k h GLU 299 Ca 0.17 -0.12 0.12 0.00 -1.00 0.00 0.00 59.36 58.53 3k6k h GLU 299 Cb 0.46 -0.09 -0.08 0.00 0.50 0.00 0.00 28.75 29.54 3k6k h GLU 299 CO -0.45 0.58 0.43 0.82 -1.00 0.00 0.00 179.01 179.39 3k6k h ILE 300 N 0.48 0.82 -0.50 3.13 2.04 -0.56 -0.19 117.51 122.73 3k6k h ILE 300 Ca 0.13 -0.23 -0.12 0.00 1.00 0.00 0.00 64.86 65.63 3k6k h ILE 300 Cb 0.22 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.36 3k6k h ILE 300 CO -0.01 0.12 -0.16 0.00 0.00 0.00 0.00 178.15 178.10 3k6k h HIS 302 N 0.85 0.62 -0.61 0.00 -0.00 -0.39 0.22 115.15 115.84 3k6k h HIS 302 Ca 0.12 -0.15 -0.08 0.00 -0.00 0.00 0.00 60.37 60.26 3k6k h HIS 302 Cb 0.72 -0.14 -0.02 0.00 -0.00 0.00 0.00 27.41 27.97 3k6k h HIS 302 CO 0.05 0.79 0.06 2.35 -0.00 0.00 0.00 177.93 181.18 3k6k h TRP 303 N 0.46 1.11 -0.19 5.26 7.01 -0.83 0.23 115.95 129.00 3k6k h TRP 303 Ca 0.05 -0.17 -0.00 0.00 2.11 0.00 0.00 58.89 60.88 3k6k h TRP 303 Cb 0.78 -0.30 -0.01 0.00 -2.10 0.00 0.00 29.16 27.54 3k6k h TRP 303 CO 0.03 0.97 0.10 0.82 -2.79 0.00 0.00 178.44 177.57 3k6k h ILE 304 N 0.93 1.11 -0.26 2.65 2.04 -0.01 -2.00 117.51 121.98 3k6k h ILE 304 Ca 0.18 -0.29 -0.14 0.00 1.00 0.00 0.00 64.86 65.60 3k6k h ILE 304 Cb 0.48 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 3k6k h ILE 304 CO 0.02 0.10 -0.42 0.77 0.00 0.00 0.00 178.15 178.63 3k6k h SER 305 N 0.20 0.67 -0.76 1.72 4.64 -0.32 -2.46 113.55 117.24 3k6k h SER 305 Ca 0.07 -0.30 0.08 0.00 -0.47 0.00 0.00 61.79 61.17 3k6k h SER 305 Cb 0.07 -0.19 -0.05 0.00 -0.31 0.00 0.00 62.40 61.93 3k6k h SER 305 CO -0.01 1.00 0.50 0.00 -0.87 0.00 0.00 176.83 177.45 3k6k h ALA 306 N 1.03 1.75 0.00 5.18 0.00 -0.41 -1.86 119.26 124.95 3k6k h ALA 306 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3k6k h ALA 306 Cb 0.94 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3k6k h ALA 306 CO 0.08 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.44 3k6k h ARG 307 N 0.73 0.00 -0.02 0.00 2.47 -0.88 -3.51 114.38 113.16 3k6k h ARG 307 Ca 0.34 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.06 3k6k h ARG 307 Cb 0.38 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.70 3k6k h ARG 307 CO -0.12 0.00 0.00 -0.89 0.56 0.00 0.00 179.97 179.52