#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k40 s GLU 2 N 0.00 2.80 0.21 2.12 0.41 -1.26 -4.92 118.70 118.06 3k40 s GLU 2 Ca 0.00 -1.06 -0.09 0.00 -0.41 0.00 0.00 54.97 53.41 3k40 s GLU 2 Cb 0.00 -2.69 0.26 0.00 -1.78 0.00 0.00 34.13 29.93 3k40 s GLU 2 CO 0.00 -0.35 1.78 0.00 -0.49 0.00 0.00 175.26 176.20 3k40 h ALA 3 N 0.51 0.86 -0.67 5.21 0.00 -2.05 -0.86 119.26 122.25 3k40 h ALA 3 Ca -0.41 0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.55 3k40 h ALA 3 Cb 1.28 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 3k40 h ALA 3 CO 0.48 -0.05 0.43 -1.35 0.00 0.00 0.00 179.25 178.76 3k40 h PRO 4 N 0.57 0.85 -0.48 0.00 0.11 -1.99 0.19 132.00 131.24 3k40 h PRO 4 Ca 0.31 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.30 3k40 h PRO 4 Cb 0.28 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.18 3k40 h PRO 4 CO -0.23 0.56 0.03 0.93 -0.21 0.00 0.00 178.00 179.08 3k40 h GLU 5 N 0.87 0.83 -0.37 1.05 3.07 -1.91 -2.00 114.58 116.12 3k40 h GLU 5 Ca 0.26 -0.25 0.06 0.00 -0.50 0.00 0.00 59.36 58.93 3k40 h GLU 5 Cb -0.05 -0.08 -0.05 0.00 -0.84 0.00 0.00 28.75 27.72 3k40 h GLU 5 CO -0.07 0.85 0.06 0.35 -1.40 0.00 0.00 179.01 178.80 3k40 h PHE 6 N 0.69 0.10 -0.54 4.33 3.57 -0.71 -0.92 116.94 123.45 3k40 h PHE 6 Ca 0.14 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.69 3k40 h PHE 6 Cb 0.46 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.18 3k40 h PHE 6 CO 0.03 0.00 0.33 0.87 -2.23 0.00 0.00 178.31 177.32 3k40 h LYS 7 N 0.18 0.64 -0.29 1.11 1.57 -0.38 0.32 116.57 119.73 3k40 h LYS 7 Ca 0.18 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3k40 h LYS 7 Cb 0.21 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 3k40 h LYS 7 CO -0.24 0.42 0.18 -0.44 -0.57 0.00 0.00 179.45 178.79 3k40 h ASP 8 N 0.66 0.34 0.41 0.86 3.32 -1.08 -0.77 116.42 120.16 3k40 h ASP 8 Ca 0.22 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 3k40 h ASP 8 Cb 0.02 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.48 3k40 h ASP 8 CO -0.09 0.29 -0.20 0.15 -1.72 0.00 0.00 179.24 177.67 3k40 h PHE 9 N 0.37 -0.51 -0.89 4.55 3.57 -0.82 -1.57 116.94 121.64 3k40 h PHE 9 Ca 0.10 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.61 3k40 h PHE 9 Cb 0.01 0.17 -0.05 0.00 2.79 0.00 0.00 35.95 38.87 3k40 h PHE 9 CO -0.04 -0.27 0.58 0.00 -2.23 0.00 0.00 178.31 176.34 3k40 h ALA 10 N -0.05 1.15 -0.14 2.41 0.00 -0.31 -0.27 119.26 122.04 3k40 h ALA 10 Ca -0.06 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 3k40 h ALA 10 Cb 0.46 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3k40 h ALA 10 CO 0.09 0.47 -0.59 0.87 0.00 0.00 0.00 179.25 180.09 3k40 h LYS 11 N 1.16 0.48 -0.95 0.00 1.57 -1.07 -0.45 116.57 117.30 3k40 h LYS 11 Ca 0.34 -0.32 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 3k40 h LYS 11 Cb -0.07 0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.24 3k40 h LYS 11 CO -0.09 0.93 0.63 1.15 -0.57 0.00 0.00 179.45 181.49 3k40 h THR 12 N 0.36 1.24 -0.27 -0.16 2.02 -1.00 -1.94 112.91 113.16 3k40 h THR 12 Ca -0.00 -0.44 -0.11 0.00 0.77 0.00 0.00 66.41 66.63 3k40 h THR 12 Cb 1.13 -0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 3k40 h THR 12 CO 0.11 0.23 -0.29 -0.03 0.37 0.00 0.00 175.52 175.91 3k40 h MET 13 N 1.28 0.55 -0.30 6.66 1.85 -0.46 -0.47 114.93 124.04 3k40 h MET 13 Ca 0.35 -0.23 0.04 0.00 -0.61 0.00 0.00 59.70 59.25 3k40 h MET 13 Cb -0.14 -0.02 -0.04 0.00 0.43 0.00 0.00 31.60 31.84 3k40 h MET 13 CO -0.08 0.78 0.07 0.28 -0.40 0.00 0.00 176.91 177.57 3k40 h VAL 14 N 0.47 0.88 -0.48 -5.77 2.07 -0.75 0.43 116.25 113.10 3k40 h VAL 14 Ca 0.06 -0.06 0.03 0.00 0.82 0.00 0.00 66.70 67.55 3k40 h VAL 14 Cb 0.75 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 3k40 h VAL 14 CO 0.06 0.03 0.25 0.44 0.02 0.00 0.00 177.57 178.38 3k40 h ASP 15 N 0.19 0.38 -0.36 0.57 3.32 -0.97 -2.08 116.42 117.47 3k40 h ASP 15 Ca 0.14 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.21 3k40 h ASP 15 Cb 0.13 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 3k40 h ASP 15 CO -0.17 0.27 0.23 0.15 -1.72 0.00 0.00 179.24 178.00 3k40 h PHE 16 N 0.50 0.46 -0.35 4.55 3.57 -0.57 -0.91 116.94 124.19 3k40 h PHE 16 Ca 0.20 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 3k40 h PHE 16 Cb 0.09 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 3k40 h PHE 16 CO -0.09 0.31 0.17 0.82 -2.23 0.00 0.00 178.31 177.29 3k40 h ILE 17 N 0.49 1.16 -0.41 1.41 2.04 -0.68 0.87 117.51 122.39 3k40 h ILE 17 Ca 0.13 -0.46 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 3k40 h ILE 17 Cb -0.04 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 3k40 h ILE 17 CO -0.03 0.17 0.24 0.00 0.00 0.00 0.00 178.15 178.54 3k40 h ALA 18 N 1.02 0.52 -0.77 1.87 0.00 -1.25 -0.68 119.26 119.97 3k40 h ALA 18 Ca 0.12 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.01 3k40 h ALA 18 Cb 0.12 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 3k40 h ALA 18 CO -0.02 0.01 0.48 0.93 0.00 0.00 0.00 179.25 180.66 3k40 h GLU 19 N 0.54 0.91 0.32 0.00 4.39 -0.89 -0.52 114.58 119.32 3k40 h GLU 19 Ca 0.15 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.78 3k40 h GLU 19 Cb 0.00 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.45 3k40 h GLU 19 CO -0.03 0.60 -0.15 -0.92 -1.16 0.00 0.00 179.01 177.35 3k40 h TYR 20 N 0.94 -0.40 -0.24 4.33 3.20 -0.44 -2.91 116.97 121.45 3k40 h TYR 20 Ca 0.31 -0.01 -0.20 0.00 3.14 0.00 0.00 58.73 61.98 3k40 h TYR 20 Cb 0.04 0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.44 3k40 h TYR 20 CO -0.04 -0.15 -0.62 -0.07 -1.64 0.00 0.00 178.16 175.65 3k40 h LEU 21 N -0.58 0.94 -1.32 2.82 3.38 -1.03 -2.56 115.31 116.96 3k40 h LEU 21 Ca -0.04 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.39 3k40 h LEU 21 Cb 0.43 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3k40 h LEU 21 CO 0.07 1.34 0.00 -0.33 0.09 0.00 0.00 178.44 179.61 3k40 h GLU 22 N 0.61 0.00 -0.06 1.13 4.39 -1.18 -2.82 114.58 116.66 3k40 h GLU 22 Ca -0.01 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 3k40 h GLU 22 Cb 1.23 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.87 3k40 h GLU 22 CO 0.13 0.00 -0.27 0.09 -1.16 0.00 0.00 179.01 177.81 3k40 n ASN 23 N -2.97 2.12 0.26 1.42 4.13 -1.10 -4.81 115.26 114.31 3k40 n ASN 23 Ca 0.01 -3.60 0.13 0.00 1.68 0.00 0.00 54.58 52.81 3k40 n ASN 23 Cb 0.30 -0.51 0.69 0.00 -1.54 0.00 0.00 39.78 38.71 3k40 n ASN 23 CO 0.00 0.00 0.00 -0.29 0.28 0.00 0.00 177.26 177.25 3k40 h ILE 24 N 0.74 0.43 0.00 2.41 2.10 -1.19 -1.21 117.51 120.78 3k40 h ILE 24 Ca 0.03 -0.65 0.00 0.00 1.08 0.00 0.00 64.86 65.32 3k40 h ILE 24 Cb 1.11 1.46 0.00 0.00 -1.09 0.00 0.00 36.82 38.30 3k40 h ILE 24 CO 0.06 0.12 0.00 0.54 -1.08 0.00 0.00 178.15 177.79 3k40 n ARG 25 N -3.44 0.08 0.18 2.19 1.74 -1.26 -1.68 116.66 114.47 3k40 n ARG 25 Ca -0.01 0.42 0.13 0.00 -0.77 0.00 0.00 57.85 57.62 3k40 n ARG 25 Cb 0.29 -1.68 0.32 0.00 -1.02 0.00 0.00 32.46 30.37 3k40 n ARG 25 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3k40 h GLU 26 N 0.00 0.00 -6.89 5.56 5.08 -1.61 -3.46 114.58 113.25 3k40 h GLU 26 Ca 0.00 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.89 3k40 h GLU 26 Cb 0.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3k40 h GLU 26 CO 0.00 0.00 0.37 1.03 -1.00 0.00 0.00 179.01 179.41 3k40 s ARG 27 N -3.22 4.50 0.19 2.33 1.81 -0.68 -5.03 118.95 118.85 3k40 s ARG 27 Ca 0.08 1.40 -0.22 0.00 -1.72 0.00 0.00 55.73 55.27 3k40 s ARG 27 Cb 0.08 -2.78 -0.08 0.00 -0.45 0.00 0.00 34.95 31.72 3k40 s ARG 27 CO 0.62 0.19 0.73 1.03 -0.68 0.00 0.00 175.30 177.19 3k40 s ARG 28 N -2.10 4.37 0.35 3.54 0.52 -1.26 -4.98 118.95 119.39 3k40 s ARG 28 Ca 0.51 0.97 0.19 0.00 -0.52 0.00 0.00 55.73 56.88 3k40 s ARG 28 Cb -0.20 -3.05 0.20 0.00 0.52 0.00 0.00 34.95 32.41 3k40 s ARG 28 CO 0.26 0.48 1.50 -0.39 0.02 0.00 0.00 175.30 177.17 3k40 h VAL 29 N 3.03 0.39 -3.64 3.52 -1.51 -1.91 -3.42 116.25 112.71 3k40 h VAL 29 Ca -0.48 -1.56 -0.63 0.00 -1.23 0.00 0.00 66.70 62.80 3k40 h VAL 29 Cb 1.20 2.17 -0.16 0.00 -2.13 0.00 0.00 31.29 32.37 3k40 h VAL 29 CO 0.65 0.22 -0.53 -0.76 -1.23 0.00 0.00 177.57 175.92 3k40 s LEU 30 N -6.29 3.96 0.40 4.19 1.43 -1.26 -4.81 118.68 116.30 3k40 s LEU 30 Ca 0.05 0.03 -0.27 0.00 -1.03 0.00 0.00 54.13 52.91 3k40 s LEU 30 Cb 0.06 -2.07 -0.10 0.00 0.03 0.00 0.00 46.19 44.12 3k40 s LEU 30 CO 0.71 0.03 1.46 -2.84 0.23 0.00 0.00 176.35 175.94 3k40 s PRO 31 N 1.25 3.98 0.12 1.29 0.02 -1.26 -4.94 135.00 135.46 3k40 s PRO 31 Ca 0.07 2.51 0.04 0.00 0.02 0.00 0.00 61.00 63.64 3k40 s PRO 31 Cb -0.14 -2.87 -0.19 0.00 0.02 0.00 0.00 34.50 31.32 3k40 s PRO 31 CO 0.06 -0.61 1.27 1.05 -0.33 0.00 0.00 177.00 178.43 3k40 h GLU 32 N 2.79 0.08 -7.33 5.54 9.09 -1.96 -3.46 114.58 119.32 3k40 h GLU 32 Ca -0.51 -0.12 -0.51 0.00 0.05 0.00 0.00 59.36 58.27 3k40 h GLU 32 Cb 1.25 0.04 0.08 0.00 -1.65 0.00 0.00 28.75 28.47 3k40 h GLU 32 CO 0.63 1.03 0.39 0.14 0.05 0.00 0.00 179.01 181.25 3k40 s VAL 33 N -2.77 4.27 0.08 -1.06 -7.23 -1.26 -5.07 120.40 107.36 3k40 s VAL 33 Ca -0.00 0.77 0.02 0.00 -1.81 0.00 0.00 61.98 60.95 3k40 s VAL 33 Cb 0.09 -3.57 -0.04 0.00 0.56 0.00 0.00 36.38 33.42 3k40 s VAL 33 CO 0.83 -0.93 0.17 -0.54 -0.31 0.00 0.00 175.10 174.32 3k40 s LYS 34 N -5.00 3.23 0.15 4.82 1.02 -1.26 -5.04 119.74 117.66 3k40 s LYS 34 Ca 0.57 -0.57 -0.33 0.00 0.02 0.00 0.00 55.97 55.67 3k40 s LYS 34 Cb -0.13 -2.91 -0.17 0.00 -0.52 0.00 0.00 37.83 34.11 3k40 s LYS 34 CO 0.53 0.58 0.98 -2.30 -0.92 0.00 0.00 175.35 174.21 3k40 n PRO 35 N 0.19 0.66 -0.26 -1.68 -0.02 -1.26 -1.55 135.00 131.08 3k40 n PRO 35 Ca -0.07 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 3k40 n PRO 35 Cb 0.52 -1.60 0.00 0.00 -0.02 0.00 0.00 33.50 32.39 3k40 n PRO 35 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k40 n GLY 36 N 1.85 0.69 0.26 -1.23 0.00 -1.26 -4.97 105.19 100.52 3k40 n GLY 36 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.31 3k40 n GLY 36 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 3k40 h TYR 37 N 0.00 0.00 0.05 1.61 -0.00 -1.69 -3.36 116.97 113.58 3k40 h TYR 37 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 58.73 58.62 3k40 h TYR 37 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.73 3k40 h TYR 37 CO 0.00 0.12 -0.56 1.25 -0.00 0.00 0.00 178.16 178.98 3k40 h LEU 38 N 0.00 0.17 -0.56 0.10 5.85 -1.93 -3.38 115.31 115.56 3k40 h LEU 38 Ca -0.00 -0.91 0.11 0.00 0.84 0.00 0.00 57.88 57.93 3k40 h LEU 38 Cb 0.38 -0.06 -0.10 0.00 0.37 0.00 0.00 40.66 41.26 3k40 h LEU 38 CO 0.02 1.25 -0.05 0.50 -0.34 0.00 0.00 178.44 179.81 3k40 h LYS 39 N -0.75 0.07 -0.37 1.25 3.64 -1.92 0.18 116.57 118.67 3k40 h LYS 39 Ca -0.12 -0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.36 3k40 h LYS 39 Cb 1.31 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.10 3k40 h LYS 39 CO 0.02 0.04 0.45 -1.35 -2.27 0.00 0.00 179.45 176.35 3k40 h PRO 40 N 0.07 0.00 0.00 1.90 0.11 -1.80 -2.79 132.00 129.50 3k40 h PRO 40 Ca 0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.39 3k40 h PRO 40 Cb 0.44 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.55 3k40 h PRO 40 CO -0.51 0.00 -0.52 1.28 -0.21 0.00 0.00 178.00 178.04 3k40 n LEU 41 N -3.57 0.51 -4.15 2.35 4.77 0.61 -4.91 117.00 112.62 3k40 n LEU 41 Ca 0.06 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.92 3k40 n LEU 41 Cb 0.61 -0.24 -0.11 0.00 -2.33 0.00 0.00 43.42 41.35 3k40 n LEU 41 CO 0.25 0.12 -0.41 0.27 -1.33 0.00 0.00 177.39 176.29 3k40 s ILE 42 N -3.01 0.79 1.01 -0.08 -4.36 -1.05 -5.05 121.20 109.44 3k40 s ILE 42 Ca 0.11 -1.59 -0.11 0.00 -0.26 0.00 0.00 60.65 58.79 3k40 s ILE 42 Cb 0.17 -1.28 0.20 0.00 1.25 0.00 0.00 42.46 42.80 3k40 s ILE 42 CO 0.70 -0.60 1.10 -2.84 0.24 0.00 0.00 174.94 173.54 3k40 s PRO 43 N -2.79 0.32 0.00 0.37 0.02 -1.26 -4.92 135.00 126.74 3k40 s PRO 43 Ca 0.04 1.22 0.27 0.00 0.02 0.00 0.00 61.00 62.54 3k40 s PRO 43 Cb -0.02 -1.67 0.80 0.00 0.02 0.00 0.00 34.50 33.63 3k40 s PRO 43 CO -0.01 -3.00 1.60 -0.25 -0.33 0.00 0.00 177.00 175.00 3k40 n ASP 44 N -4.46 0.83 -3.97 2.53 8.00 -1.26 -4.87 116.55 113.34 3k40 n ASP 44 Ca 0.08 -0.70 -0.09 0.00 0.71 0.00 0.00 54.79 54.79 3k40 n ASP 44 Cb 0.53 0.11 -0.09 0.00 -0.02 0.00 0.00 41.12 41.64 3k40 n ASP 44 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3k40 s ALA 45 N -2.59 0.09 0.62 2.24 0.00 -1.26 -5.16 121.76 115.71 3k40 s ALA 45 Ca 0.23 -0.76 -0.18 0.00 0.00 0.00 0.00 51.96 51.25 3k40 s ALA 45 Cb 0.19 0.28 -0.02 0.00 0.00 0.00 0.00 23.12 23.57 3k40 s ALA 45 CO 0.54 -0.35 1.19 0.00 0.00 0.00 0.00 175.76 177.14 3k40 s ALA 46 N -3.08 2.47 0.34 0.00 0.00 -1.26 -4.98 121.76 115.25 3k40 s ALA 46 Ca -0.01 0.91 -0.27 0.00 0.00 0.00 0.00 51.96 52.59 3k40 s ALA 46 Cb 0.02 -3.43 -0.09 0.00 0.00 0.00 0.00 23.12 19.61 3k40 s ALA 46 CO -0.07 -1.27 1.15 -1.25 0.00 0.00 0.00 175.76 174.32 3k40 s PRO 47 N -3.53 4.34 0.16 0.00 0.04 -1.26 -4.95 135.00 129.80 3k40 s PRO 47 Ca 0.75 1.84 -0.10 0.00 0.04 0.00 0.00 61.00 63.53 3k40 s PRO 47 Cb -0.28 -2.92 -0.00 0.00 0.04 0.00 0.00 34.50 31.34 3k40 s PRO 47 CO 0.36 -0.07 1.53 0.93 0.04 0.00 0.00 177.00 179.79 3k40 h GLU 48 N 3.19 0.99 -6.23 4.56 4.39 -2.08 -3.45 114.58 115.95 3k40 h GLU 48 Ca -0.48 -0.45 -0.59 0.00 0.34 0.00 0.00 59.36 58.18 3k40 h GLU 48 Cb 1.22 -0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 29.77 3k40 h GLU 48 CO 0.65 1.12 -0.59 0.15 -1.16 0.00 0.00 179.01 179.17 3k40 s LYS 49 N -4.61 2.77 0.30 2.33 -0.14 -1.26 -5.09 119.74 114.04 3k40 s LYS 49 Ca -0.11 -0.91 -0.29 0.00 -1.36 0.00 0.00 55.97 53.29 3k40 s LYS 49 Cb 0.12 -2.58 -0.11 0.00 -1.68 0.00 0.00 37.83 33.58 3k40 s LYS 49 CO 0.88 0.49 1.48 -1.25 -0.76 0.00 0.00 175.35 176.18 3k40 s PRO 50 N -2.97 4.21 0.75 -1.68 0.04 -1.26 -5.03 135.00 129.05 3k40 s PRO 50 Ca 0.30 2.43 -0.04 0.00 0.04 0.00 0.00 61.00 63.73 3k40 s PRO 50 Cb -0.10 -3.05 0.13 0.00 0.04 0.00 0.00 34.50 31.51 3k40 s PRO 50 CO 0.22 -0.47 1.03 -1.21 0.04 0.00 0.00 177.00 176.61 3k40 s GLU 51 N -0.94 1.62 -0.02 4.56 2.02 -1.26 -5.08 118.70 119.60 3k40 s GLU 51 Ca 0.58 -0.89 -0.16 0.00 0.02 0.00 0.00 54.97 54.52 3k40 s GLU 51 Cb -0.44 -2.25 -0.06 0.00 0.10 0.00 0.00 34.13 31.49 3k40 s GLU 51 CO 0.50 -1.53 0.43 0.15 0.02 0.00 0.00 175.26 174.82 3k40 s LYS 52 N -5.25 4.02 0.39 1.61 1.02 -1.26 -4.98 119.74 115.29 3k40 s LYS 52 Ca 0.66 0.44 0.08 0.00 0.02 0.00 0.00 55.97 57.17 3k40 s LYS 52 Cb -0.06 -3.26 0.84 0.00 -0.52 0.00 0.00 37.83 34.83 3k40 s LYS 52 CO 0.45 0.59 1.99 0.11 -0.92 0.00 0.00 175.35 177.57 3k40 h TRP 53 N 5.05 0.63 -0.52 3.18 5.08 -1.98 -1.24 115.95 126.15 3k40 h TRP 53 Ca -0.50 0.02 0.02 0.00 1.08 0.00 0.00 58.89 59.51 3k40 h TRP 53 Cb 1.21 -0.21 -0.03 0.00 -3.00 0.00 0.00 29.16 27.14 3k40 h TRP 53 CO 0.69 0.34 0.34 1.96 -1.28 0.00 0.00 178.44 180.49 3k40 h GLN 54 N 0.63 0.63 -0.06 0.12 7.50 -1.99 0.16 115.11 122.10 3k40 h GLN 54 Ca 0.27 -0.04 -0.21 0.00 0.50 0.00 0.00 58.65 59.17 3k40 h GLN 54 Cb 0.25 -0.14 0.00 0.00 0.05 0.00 0.00 27.48 27.64 3k40 h GLN 54 CO -0.08 0.41 -0.84 -0.44 -1.50 0.00 0.00 178.83 176.39 3k40 h ASP 55 N 0.64 0.61 -0.13 1.46 3.32 -1.65 -1.27 116.42 119.41 3k40 h ASP 55 Ca 0.20 -0.44 -0.00 0.00 0.02 0.00 0.00 57.03 56.81 3k40 h ASP 55 Cb 0.01 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 3k40 h ASP 55 CO -0.05 1.21 0.07 0.58 -1.72 0.00 0.00 179.24 179.34 3k40 h VAL 56 N 0.31 1.09 -0.83 -1.35 2.07 -0.96 -2.33 116.25 114.25 3k40 h VAL 56 Ca -0.06 -0.25 0.10 0.00 0.82 0.00 0.00 66.70 67.31 3k40 h VAL 56 Cb 1.45 1.02 -0.08 0.00 -1.52 0.00 0.00 31.29 32.16 3k40 h VAL 56 CO 0.15 0.08 0.47 -0.03 0.02 0.00 0.00 177.57 178.26 3k40 h MET 57 N 0.12 0.74 -0.16 1.57 1.85 -0.65 0.20 114.93 118.61 3k40 h MET 57 Ca 0.05 -0.04 -0.05 0.00 -0.61 0.00 0.00 59.70 59.04 3k40 h MET 57 Cb 0.07 -0.17 -0.01 0.00 0.43 0.00 0.00 31.60 31.92 3k40 h MET 57 CO -0.01 0.49 -0.14 1.96 -0.40 0.00 0.00 176.91 178.82 3k40 h GLN 58 N 0.77 0.26 0.00 0.39 4.20 -1.09 -2.59 115.11 117.04 3k40 h GLN 58 Ca 0.41 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 59.06 3k40 h GLN 58 Cb 0.41 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.16 3k40 h GLN 58 CO -0.26 0.40 0.00 -0.44 -0.67 0.00 0.00 178.83 177.86 3k40 h ASP 59 N 0.24 0.00 0.61 1.46 3.32 -0.39 -3.12 116.42 118.54 3k40 h ASP 59 Ca 0.05 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 3k40 h ASP 59 Cb 0.40 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.96 3k40 h ASP 59 CO 0.02 0.00 -0.29 0.40 -1.72 0.00 0.00 179.24 177.65 3k40 h ILE 60 N 0.00 0.39 -0.20 0.35 1.08 -1.23 0.39 117.51 118.28 3k40 h ILE 60 Ca 0.00 -0.07 -0.12 0.00 -0.39 0.00 0.00 64.86 64.28 3k40 h ILE 60 Cb 0.46 0.41 -0.01 0.00 -3.07 0.00 0.00 36.82 34.61 3k40 h ILE 60 CO 0.00 0.01 -0.39 -0.33 -0.69 0.00 0.00 178.15 176.75 3k40 h GLU 61 N -0.87 0.45 -0.14 2.37 4.39 -1.75 0.15 114.58 119.18 3k40 h GLU 61 Ca -0.08 -0.22 -0.06 0.00 0.34 0.00 0.00 59.36 59.34 3k40 h GLU 61 Cb 0.65 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.29 3k40 h GLU 61 CO 0.14 0.77 -0.15 -0.09 -1.16 0.00 0.00 179.01 178.52 3k40 h ARG 62 N 0.37 0.34 0.00 2.33 2.43 -1.46 -3.38 114.38 115.01 3k40 h ARG 62 Ca 0.04 -0.18 -0.27 0.00 -0.81 0.00 0.00 59.98 58.75 3k40 h ARG 62 Cb 0.85 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.36 3k40 h ARG 62 CO 0.07 0.74 -2.03 0.28 -1.51 0.00 0.00 179.97 177.52 3k40 n VAL 63 N -4.56 1.03 -0.08 0.20 0.31 0.13 -4.79 118.33 110.58 3k40 n VAL 63 Ca -0.06 -0.44 -0.09 0.00 -0.01 0.00 0.00 64.34 63.74 3k40 n VAL 63 Cb 0.36 -1.05 -0.04 0.00 -0.91 0.00 0.00 33.84 32.20 3k40 n VAL 63 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3k40 n ILE 64 N -2.94 1.45 0.19 2.52 2.08 -0.59 -4.53 119.36 117.53 3k40 n ILE 64 Ca -0.31 0.15 0.06 0.00 0.56 0.00 0.00 62.75 63.22 3k40 n ILE 64 Cb 0.87 -2.31 0.56 0.00 -0.75 0.00 0.00 39.64 38.01 3k40 n ILE 64 CO 0.00 0.00 0.00 0.24 0.56 0.00 0.00 176.55 177.35 3k40 h MET 65 N -1.00 0.13 0.00 0.38 2.86 -1.19 -0.37 114.93 115.74 3k40 h MET 65 Ca -0.09 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.52 3k40 h MET 65 Cb 0.73 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.36 3k40 h MET 65 CO -0.05 0.12 -0.08 -1.35 1.06 0.00 0.00 176.91 176.61 3k40 h PRO 66 N 0.13 0.00 -0.35 -0.22 0.11 -1.80 -2.67 132.00 127.21 3k40 h PRO 66 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 3k40 h PRO 66 Cb 0.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.16 3k40 h PRO 66 CO -0.00 0.08 0.00 0.41 -0.21 0.00 0.00 178.00 178.28 3k40 n GLY 67 N -1.02 1.64 3.77 -0.55 0.00 -0.16 -4.28 105.19 104.59 3k40 n GLY 67 Ca -0.02 -0.71 -0.40 0.00 0.00 0.00 0.00 46.02 44.89 3k40 n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k40 s VAL 68 N -1.49 4.31 -0.13 1.61 1.01 -1.01 -5.05 120.40 119.65 3k40 s VAL 68 Ca 0.36 1.79 -0.22 0.00 0.00 0.00 0.00 61.98 63.91 3k40 s VAL 68 Cb 0.22 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 3k40 s VAL 68 CO 0.30 0.51 0.68 -0.89 0.00 0.00 0.00 175.10 175.71 3k40 s THR 69 N -1.13 5.02 -1.25 3.92 2.01 -1.26 -4.82 115.64 118.14 3k40 s THR 69 Ca 0.37 1.35 -0.13 0.00 0.31 0.00 0.00 61.69 63.59 3k40 s THR 69 Cb -0.24 -4.01 0.15 0.00 0.01 0.00 0.00 72.50 68.42 3k40 s THR 69 CO 0.27 0.18 1.61 1.41 -0.69 0.00 0.00 174.62 177.40 3k40 n HIS 70 N 4.41 4.39 0.05 4.92 8.25 -1.26 -4.82 115.22 131.16 3k40 n HIS 70 Ca -0.01 -3.15 0.18 0.00 -0.26 0.00 0.00 57.72 54.49 3k40 n HIS 70 Cb 0.50 -2.20 0.69 0.00 1.12 0.00 0.00 29.99 30.11 3k40 n HIS 70 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 3k40 h TRP 71 N 6.79 0.00 -0.29 4.41 4.06 -1.94 -1.34 115.95 127.64 3k40 h TRP 71 Ca 0.36 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.31 3k40 h TRP 71 Cb 0.80 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.96 3k40 h TRP 71 CO 1.19 0.00 0.00 0.72 -3.56 0.00 0.00 178.44 176.79 3k40 n HIS 72 N -4.35 0.38 -2.41 0.49 8.25 -1.26 -4.54 115.22 111.77 3k40 n HIS 72 Ca 0.07 -0.19 -0.41 0.00 -0.26 0.00 0.00 57.72 56.93 3k40 n HIS 72 Cb 0.52 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.59 3k40 n HIS 72 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3k40 s SER 73 N -1.45 7.12 0.00 0.41 0.15 -0.51 -4.66 113.70 114.75 3k40 s SER 73 Ca 0.34 2.15 0.08 0.00 0.70 0.00 0.00 55.95 59.23 3k40 s SER 73 Cb 0.19 -2.60 0.41 0.00 -1.71 0.00 0.00 66.02 62.32 3k40 s SER 73 CO 0.27 -0.37 1.15 -0.81 1.20 0.00 0.00 173.24 174.68 3k40 n PRO 74 N 2.83 0.11 0.00 5.44 -0.04 -1.26 -1.21 135.00 140.87 3k40 n PRO 74 Ca 0.05 0.22 0.13 0.00 -0.04 0.00 0.00 63.50 63.86 3k40 n PRO 74 Cb 0.45 -1.50 0.32 0.00 -0.04 0.00 0.00 33.50 32.74 3k40 n PRO 74 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3k40 n LYS 75 N -1.30 0.44 -3.73 0.54 5.02 -1.26 -4.83 118.16 113.04 3k40 n LYS 75 Ca 0.04 -0.26 -0.38 0.00 -2.02 0.00 0.00 58.31 55.69 3k40 n LYS 75 Cb 0.07 -1.49 -0.12 0.00 -0.02 0.00 0.00 35.03 33.46 3k40 n LYS 75 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3k40 s PHE 76 N -2.73 3.19 -0.78 2.13 2.19 -0.35 -1.18 117.98 120.44 3k40 s PHE 76 Ca 0.18 -1.07 -0.08 0.00 0.33 0.00 0.00 56.93 56.29 3k40 s PHE 76 Cb 0.18 -2.29 0.20 0.00 -1.31 0.00 0.00 43.02 39.81 3k40 s PHE 76 CO 0.60 -0.62 0.67 -1.01 1.83 0.00 0.00 175.22 176.70 3k40 s HIS 77 N 1.49 3.68 0.49 10.12 3.76 -0.08 -4.62 115.29 130.14 3k40 s HIS 77 Ca 0.01 -2.43 -0.08 0.00 -0.15 0.00 0.00 55.06 52.41 3k40 s HIS 77 Cb -0.18 -3.53 0.12 0.00 1.11 0.00 0.00 32.58 30.10 3k40 s HIS 77 CO 0.03 -0.90 0.51 0.00 -0.85 0.00 0.00 174.74 173.53 3k40 n ALA 78 N 3.51 -1.19 0.01 -1.40 0.00 -1.26 -4.03 120.51 116.15 3k40 n ALA 78 Ca 0.13 -0.72 -0.11 0.00 0.00 0.00 0.00 53.44 52.74 3k40 n ALA 78 Cb 0.42 -0.05 -0.05 0.00 0.00 0.00 0.00 19.45 19.77 3k40 n ALA 78 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3k40 h TYR 79 N -1.78 0.01 -4.06 0.00 0.05 -1.97 -3.40 116.97 105.83 3k40 h TYR 79 Ca -0.18 0.01 -0.13 0.00 0.05 0.00 0.00 58.73 58.47 3k40 h TYR 79 Cb 0.53 0.01 -0.13 0.00 1.01 0.00 0.00 36.73 38.15 3k40 h TYR 79 CO 0.00 0.00 -0.40 -0.06 -1.05 0.00 0.00 178.16 176.65 3k40 s PHE 80 N -6.19 0.59 0.49 4.88 0.08 -1.26 -4.78 117.98 111.78 3k40 s PHE 80 Ca -0.13 -0.93 -0.24 0.00 0.12 0.00 0.00 56.93 55.75 3k40 s PHE 80 Cb 0.07 -0.18 -0.07 0.00 -0.57 0.00 0.00 43.02 42.28 3k40 s PHE 80 CO 0.67 -0.70 1.38 -1.25 -0.10 0.00 0.00 175.22 175.22 3k40 s PRO 81 N -4.02 3.48 -0.29 0.24 0.04 -1.26 -4.92 135.00 128.27 3k40 s PRO 81 Ca 0.22 2.30 -0.10 0.00 0.04 0.00 0.00 61.00 63.46 3k40 s PRO 81 Cb 0.04 -2.49 -0.03 0.00 0.04 0.00 0.00 34.50 32.07 3k40 s PRO 81 CO 0.03 -0.94 0.16 0.99 0.04 0.00 0.00 177.00 177.28 3k40 s THR 82 N -1.26 4.89 0.36 1.26 2.01 -1.26 -4.57 115.64 117.08 3k40 s THR 82 Ca 0.65 -0.14 -0.27 0.00 0.31 0.00 0.00 61.69 62.24 3k40 s THR 82 Cb -0.41 -3.40 -0.10 0.00 0.01 0.00 0.00 72.50 68.60 3k40 s THR 82 CO 0.52 0.17 1.31 0.00 -0.69 0.00 0.00 174.62 175.92 3k40 s ALA 83 N 1.68 3.39 -0.12 7.40 0.00 -0.12 -4.94 121.76 129.05 3k40 s ALA 83 Ca 0.06 1.25 -0.09 0.00 0.00 0.00 0.00 51.96 53.18 3k40 s ALA 83 Cb -0.16 -3.48 0.04 0.00 0.00 0.00 0.00 23.12 19.51 3k40 s ALA 83 CO 0.08 -0.73 0.30 1.21 0.00 0.00 0.00 175.76 176.62 3k40 s ASN 84 N -0.59 -0.33 0.09 0.00 2.47 -1.26 -4.24 114.94 111.07 3k40 s ASN 84 Ca 0.52 0.62 -0.13 0.00 0.42 0.00 0.00 52.86 54.30 3k40 s ASN 84 Cb -0.39 0.58 0.02 0.00 -1.45 0.00 0.00 41.25 40.01 3k40 s ASN 84 CO 0.51 -0.13 0.30 -0.94 -3.72 0.00 0.00 177.10 173.12 3k40 s SER 85 N 0.64 -0.08 0.14 -4.21 1.04 -1.25 -4.81 113.70 105.17 3k40 s SER 85 Ca -0.04 -0.40 -0.14 0.00 0.48 0.00 0.00 55.95 55.85 3k40 s SER 85 Cb -0.05 0.40 0.01 0.00 0.10 0.00 0.00 66.02 66.47 3k40 s SER 85 CO -0.04 -0.74 1.65 1.88 0.98 0.00 0.00 173.24 176.97 3k40 h TYR 86 N 2.73 0.74 -0.93 5.02 0.05 -2.00 -2.21 116.97 120.37 3k40 h TYR 86 Ca -0.33 -0.08 0.04 0.00 0.05 0.00 0.00 58.73 58.40 3k40 h TYR 86 Cb 1.22 -0.21 -0.05 0.00 1.01 0.00 0.00 36.73 38.69 3k40 h TYR 86 CO 0.40 0.67 0.61 -1.35 -1.05 0.00 0.00 178.16 177.44 3k40 h PRO 87 N 0.60 1.12 -0.20 4.88 0.11 -1.93 -2.36 132.00 134.22 3k40 h PRO 87 Ca 0.14 -0.07 -0.12 0.00 0.11 0.00 0.00 66.00 66.07 3k40 h PRO 87 Cb 0.29 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.14 3k40 h PRO 87 CO -0.00 0.74 -0.38 0.00 -0.21 0.00 0.00 178.00 178.15 3k40 h ALA 88 N 1.46 0.97 -0.45 -0.75 0.00 -1.78 -1.85 119.26 116.86 3k40 h ALA 88 Ca 0.37 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3k40 h ALA 88 Cb 0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3k40 h ALA 88 CO -0.12 0.61 0.28 0.82 0.00 0.00 0.00 179.25 180.84 3k40 h ILE 89 N 0.37 1.13 -0.61 0.00 2.04 -0.95 -0.93 117.51 118.56 3k40 h ILE 89 Ca 0.04 -0.29 -0.09 0.00 1.00 0.00 0.00 64.86 65.52 3k40 h ILE 89 Cb 0.84 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 3k40 h ILE 89 CO 0.07 0.13 0.04 0.58 0.00 0.00 0.00 178.15 178.98 3k40 h VAL 90 N 0.60 1.26 -0.65 1.67 2.07 -1.23 -2.28 116.25 117.70 3k40 h VAL 90 Ca 0.16 -1.09 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 3k40 h VAL 90 Cb -0.02 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 3k40 h VAL 90 CO -0.03 0.40 0.31 0.00 0.02 0.00 0.00 177.57 178.26 3k40 h ALA 91 N 1.00 0.83 0.00 1.67 0.00 -1.07 -2.57 119.26 119.13 3k40 h ALA 91 Ca 0.18 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3k40 h ALA 91 Cb 0.50 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3k40 h ALA 91 CO 0.02 0.40 -0.24 -0.44 0.00 0.00 0.00 179.25 178.99 3k40 h ASP 92 N 0.89 0.00 -0.36 0.00 3.32 -0.84 -0.02 116.42 119.42 3k40 h ASP 92 Ca 0.22 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.29 3k40 h ASP 92 Cb 0.12 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 3k40 h ASP 92 CO -0.03 0.24 0.20 0.24 -1.72 0.00 0.00 179.24 178.18 3k40 h MET 93 N 0.00 0.40 -0.17 3.56 2.86 -1.00 0.74 114.93 121.31 3k40 h MET 93 Ca -0.00 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.56 3k40 h MET 93 Cb 0.52 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.08 3k40 h MET 93 CO 0.03 0.26 -0.10 1.25 1.06 0.00 0.00 176.91 179.41 3k40 h LEU 94 N 0.41 0.38 -1.15 1.22 5.85 -1.24 -2.95 115.31 117.83 3k40 h LEU 94 Ca 0.14 -0.43 0.07 0.00 0.84 0.00 0.00 57.88 58.50 3k40 h LEU 94 Cb 0.02 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 40.88 3k40 h LEU 94 CO -0.08 0.73 0.59 0.28 -0.34 0.00 0.00 178.44 179.62 3k40 h SER 95 N 0.03 0.89 -0.98 1.25 0.02 -0.94 -0.83 113.55 113.00 3k40 h SER 95 Ca 0.03 0.01 0.12 0.00 -0.84 0.00 0.00 61.79 61.11 3k40 h SER 95 Cb 0.60 -0.18 -0.08 0.00 0.14 0.00 0.00 62.40 62.88 3k40 h SER 95 CO 0.03 0.56 0.62 1.23 -1.14 0.00 0.00 176.83 178.13 3k40 h GLY 96 N 1.01 1.54 1.75 -3.77 0.00 -0.74 0.72 103.07 103.59 3k40 h GLY 96 Ca 0.40 -0.41 -0.20 0.00 0.00 0.00 0.00 47.33 47.12 3k40 h GLY 96 CO -0.16 0.17 -1.04 0.00 0.00 0.00 0.00 176.54 175.52 3k40 h ALA 97 N 1.54 0.51 0.00 3.60 0.00 -1.01 -3.40 119.26 120.50 3k40 h ALA 97 Ca 0.48 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3k40 h ALA 97 Cb 0.48 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3k40 h ALA 97 CO -0.24 1.14 -0.70 0.44 0.00 0.00 0.00 179.25 179.89 3k40 n ILE 98 N -3.24 0.00 -2.10 0.00 -5.35 -0.75 -5.08 119.36 102.85 3k40 n ILE 98 Ca -0.03 -0.17 -0.29 0.00 -0.27 0.00 0.00 62.75 61.99 3k40 n ILE 98 Cb 0.90 0.66 0.04 0.00 -1.74 0.00 0.00 39.64 39.50 3k40 n ILE 98 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3k40 s ALA 99 N -1.72 3.07 0.14 -1.28 0.00 0.23 -5.06 121.76 117.14 3k40 s ALA 99 Ca -0.00 -0.48 0.04 0.00 0.00 0.00 0.00 51.96 51.52 3k40 s ALA 99 Cb 0.01 -2.85 -0.04 0.00 0.00 0.00 0.00 23.12 20.23 3k40 s ALA 99 CO 0.03 -0.99 -0.09 0.00 0.00 0.00 0.00 175.76 174.71 3k40 h ILE 101 N 2.80 0.38 0.00 0.00 2.10 -1.96 -2.22 117.51 118.61 3k40 h ILE 101 Ca -0.36 -0.53 0.00 0.00 1.08 0.00 0.00 64.86 65.05 3k40 h ILE 101 Cb 1.19 1.38 0.00 0.00 -1.09 0.00 0.00 36.82 38.30 3k40 h ILE 101 CO 0.64 0.09 0.00 0.61 -1.08 0.00 0.00 178.15 178.41 3k40 n GLY 102 N -0.50 1.84 0.29 8.18 0.00 -1.26 -4.55 105.19 109.19 3k40 n GLY 102 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 3k40 n GLY 102 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3k40 h PHE 103 N 0.00 -0.62 -3.15 1.61 3.04 -2.04 -3.40 116.94 112.37 3k40 h PHE 103 Ca 0.00 -0.01 -0.56 0.00 3.98 0.00 0.00 57.97 61.38 3k40 h PHE 103 Cb 0.00 0.21 -0.03 0.00 2.56 0.00 0.00 35.95 38.68 3k40 h PHE 103 CO 0.00 -0.34 0.66 -0.08 -2.02 0.00 0.00 178.31 176.53 3k40 s THR 104 N -4.01 4.52 -0.21 4.41 -1.32 -1.26 -4.95 115.64 112.82 3k40 s THR 104 Ca -0.11 1.82 -0.40 0.00 -1.21 0.00 0.00 61.69 61.79 3k40 s THR 104 Cb 0.01 -4.17 -0.16 0.00 -1.51 0.00 0.00 72.50 66.67 3k40 s THR 104 CO 0.36 -0.02 1.67 1.87 -2.21 0.00 0.00 174.62 176.29 3k40 n TRP 105 N 5.26 1.95 -2.56 9.09 -0.00 -1.26 -4.88 117.44 125.04 3k40 n TRP 105 Ca 0.10 0.56 -0.42 0.00 -0.00 0.00 0.00 57.50 57.74 3k40 n TRP 105 Cb 0.47 -2.43 -0.02 0.00 -0.00 0.00 0.00 31.31 29.32 3k40 n TRP 105 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 177.69 178.11 3k40 s ILE 106 N 2.99 4.03 -0.33 5.87 1.01 -1.26 -4.87 121.20 128.64 3k40 s ILE 106 Ca 0.96 0.96 0.14 0.00 0.00 0.00 0.00 60.65 62.71 3k40 s ILE 106 Cb -1.05 -4.66 0.79 0.00 0.01 0.00 0.00 42.46 37.55 3k40 s ILE 106 CO 0.62 -1.23 1.70 0.00 0.00 0.00 0.00 174.94 176.03 3k40 n ALA 107 N 8.42 3.81 -2.66 9.38 0.00 -1.26 -4.93 120.51 133.27 3k40 n ALA 107 Ca 0.10 -1.83 -0.41 0.00 0.00 0.00 0.00 53.44 51.29 3k40 n ALA 107 Cb 0.49 -1.12 -0.05 0.00 0.00 0.00 0.00 19.45 18.78 3k40 n ALA 107 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3k40 s SER 108 N -0.76 6.85 0.25 0.00 0.15 -1.26 -4.98 113.70 113.95 3k40 s SER 108 Ca 0.53 1.04 -0.05 0.00 0.70 0.00 0.00 55.95 58.17 3k40 s SER 108 Cb 0.40 -2.42 0.35 0.00 -1.71 0.00 0.00 66.02 62.64 3k40 s SER 108 CO 0.16 -0.42 1.86 -0.65 1.20 0.00 0.00 173.24 175.39 3k40 h PRO 109 N 7.50 0.98 -0.18 5.44 0.11 -1.99 -2.88 132.00 140.98 3k40 h PRO 109 Ca -0.27 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.76 3k40 h PRO 109 Cb 1.12 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 3k40 h PRO 109 CO 0.83 0.65 0.05 0.00 -0.21 0.00 0.00 178.00 179.32 3k40 h ALA 110 N 1.42 0.23 -0.17 -0.75 0.00 -1.98 0.14 119.26 118.15 3k40 h ALA 110 Ca 0.39 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 3k40 h ALA 110 Cb 0.18 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3k40 h ALA 110 CO -0.18 -0.13 0.10 0.00 0.00 0.00 0.00 179.25 179.05 3k40 h THR 112 N 0.19 1.43 -0.35 0.00 2.02 -1.46 -2.96 112.91 111.78 3k40 h THR 112 Ca 0.06 -1.33 -0.12 0.00 0.77 0.00 0.00 66.41 65.79 3k40 h THR 112 Cb 0.05 2.28 -0.01 0.00 -1.74 0.00 0.00 68.15 68.73 3k40 h THR 112 CO -0.01 0.35 -0.29 -0.33 0.37 0.00 0.00 175.52 175.61 3k40 h GLU 113 N -0.47 0.73 -0.51 6.66 5.08 -0.73 -2.04 114.58 123.30 3k40 h GLU 113 Ca 0.00 -0.32 -0.07 0.00 -1.00 0.00 0.00 59.36 57.97 3k40 h GLU 113 Cb 0.59 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 3k40 h GLU 113 CO 0.01 0.93 0.03 1.25 -1.00 0.00 0.00 179.01 180.23 3k40 h LEU 114 N 0.63 0.80 -0.71 1.33 5.85 -1.33 -2.00 115.31 119.87 3k40 h LEU 114 Ca 0.08 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 3k40 h LEU 114 Cb 0.81 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 3k40 h LEU 114 CO 0.07 0.84 0.33 -0.08 -0.34 0.00 0.00 178.44 179.26 3k40 h GLU 115 N 0.78 1.04 -0.13 1.25 4.81 -1.26 0.28 114.58 121.35 3k40 h GLU 115 Ca 0.16 -0.16 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3k40 h GLU 115 Cb 0.43 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 3k40 h GLU 115 CO 0.02 0.83 0.07 0.28 -0.73 0.00 0.00 179.01 179.48 3k40 h VAL 116 N 1.00 1.09 -0.43 0.32 2.07 -1.03 -1.56 116.25 117.71 3k40 h VAL 116 Ca 0.24 -0.25 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 3k40 h VAL 116 Cb 0.15 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 3k40 h VAL 116 CO -0.03 0.08 0.05 0.58 0.02 0.00 0.00 177.57 178.28 3k40 h VAL 117 N 0.11 1.25 -0.52 2.57 2.07 -1.21 -2.26 116.25 118.27 3k40 h VAL 117 Ca 0.04 -0.92 -0.05 0.00 0.82 0.00 0.00 66.70 66.59 3k40 h VAL 117 Cb 0.07 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 3k40 h VAL 117 CO -0.01 0.32 0.12 0.24 0.02 0.00 0.00 177.57 178.26 3k40 h MET 118 N 0.57 0.79 0.00 1.57 2.07 -0.81 0.10 114.93 119.22 3k40 h MET 118 Ca 0.13 -0.16 -0.09 0.00 -2.07 0.00 0.00 59.70 57.52 3k40 h MET 118 Cb 0.41 -0.12 -0.01 0.00 -1.87 0.00 0.00 31.60 30.00 3k40 h MET 118 CO 0.01 0.71 -0.41 0.52 1.07 0.00 0.00 176.91 178.81 3k40 h MET 119 N 0.76 0.00 -0.26 1.72 2.86 -1.18 -0.00 114.93 118.83 3k40 h MET 119 Ca 0.17 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.64 3k40 h MET 119 Cb 0.28 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.94 3k40 h MET 119 CO -0.00 0.41 -0.49 -0.44 1.06 0.00 0.00 176.91 177.45 3k40 h ASP 120 N 0.00 0.88 -0.22 1.22 3.32 -0.65 0.48 116.42 121.45 3k40 h ASP 120 Ca -0.00 -0.54 0.01 0.00 0.02 0.00 0.00 57.03 56.52 3k40 h ASP 120 Cb 0.78 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 3k40 h ASP 120 CO 0.05 1.25 0.10 -0.50 -1.72 0.00 0.00 179.24 178.42 3k40 h TRP 121 N 0.54 0.18 -0.18 4.55 4.06 -0.47 0.53 115.95 125.15 3k40 h TRP 121 Ca 0.01 0.01 -0.19 0.00 2.06 0.00 0.00 58.89 60.78 3k40 h TRP 121 Cb 1.10 -0.05 -0.00 0.00 -1.00 0.00 0.00 29.16 29.20 3k40 h TRP 121 CO 0.08 0.10 -0.64 1.25 -3.56 0.00 0.00 178.44 175.67 3k40 h LEU 122 N 0.22 0.75 -0.73 -4.49 5.85 -1.03 -1.53 115.31 114.36 3k40 h LEU 122 Ca 0.09 -0.44 -0.03 0.00 0.84 0.00 0.00 57.88 58.34 3k40 h LEU 122 Cb 0.03 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 3k40 h LEU 122 CO -0.07 1.20 0.34 1.23 -0.34 0.00 0.00 178.44 180.80 3k40 h GLY 123 N 0.91 1.13 1.24 3.75 0.00 -0.65 -1.65 103.07 107.79 3k40 h GLY 123 Ca -0.01 -0.57 -0.04 0.00 0.00 0.00 0.00 47.33 46.71 3k40 h GLY 123 CO 0.13 0.54 0.26 0.50 0.00 0.00 0.00 176.54 177.97 3k40 h LYS 124 N 1.02 0.97 -0.52 4.80 1.57 -0.74 -1.27 116.57 122.41 3k40 h LYS 124 Ca 0.25 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 3k40 h LYS 124 Cb 0.13 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 3k40 h LYS 124 CO -0.03 0.80 0.29 0.52 -0.57 0.00 0.00 179.45 180.46 3k40 h MET 125 N 0.96 0.71 -0.04 3.15 2.86 -0.42 -1.41 114.93 120.73 3k40 h MET 125 Ca 0.22 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 3k40 h MET 125 Cb 0.19 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.70 3k40 h MET 125 CO -0.02 0.52 0.00 1.28 1.06 0.00 0.00 176.91 179.75 3k40 n LEU 126 N -4.41 0.97 -4.03 1.22 4.77 -0.70 -4.31 117.00 110.51 3k40 n LEU 126 Ca 0.05 -0.35 -0.29 0.00 -0.03 0.00 0.00 56.01 55.39 3k40 n LEU 126 Cb 0.09 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.14 3k40 n LEU 126 CO 0.37 0.18 -0.17 -0.62 -1.33 0.00 0.00 177.39 175.81 3k40 n GLU 127 N -0.21 -3.30 -2.23 3.23 1.02 -0.53 -4.87 120.64 113.75 3k40 n GLU 127 Ca 0.19 0.40 -0.35 0.00 -0.02 0.00 0.00 57.16 57.37 3k40 n GLU 127 Cb 0.25 -4.69 0.01 0.00 -0.02 0.00 0.00 31.44 26.98 3k40 n GLU 127 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3k40 s LEU 128 N -7.07 3.75 0.46 -4.62 1.43 -0.52 -4.96 118.68 107.14 3k40 s LEU 128 Ca 0.23 2.21 -0.22 0.00 -1.03 0.00 0.00 54.13 55.31 3k40 s LEU 128 Cb -0.12 -4.57 -0.10 0.00 0.03 0.00 0.00 46.19 41.42 3k40 s LEU 128 CO 0.90 -1.25 0.81 -2.65 0.23 0.00 0.00 176.35 174.39 3k40 n PRO 129 N -1.30 0.97 0.09 1.29 -0.02 -1.26 -4.85 135.00 129.91 3k40 n PRO 129 Ca 0.12 0.35 0.19 0.00 -2.02 0.00 0.00 63.50 62.14 3k40 n PRO 129 Cb 0.51 -1.86 0.74 0.00 -0.02 0.00 0.00 33.50 32.86 3k40 n PRO 129 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k40 h ALA 130 N 1.05 2.21 0.00 3.55 0.00 -1.96 -1.48 119.26 122.64 3k40 h ALA 130 Ca -0.44 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 3k40 h ALA 130 Cb 1.37 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 3k40 h ALA 130 CO 0.53 -0.52 -0.00 0.93 0.00 0.00 0.00 179.25 180.20 3k40 h GLU 131 N 0.00 0.00 -0.00 0.00 3.07 -1.99 -0.74 114.58 114.92 3k40 h GLU 131 Ca 0.18 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.04 3k40 h GLU 131 Cb 0.82 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.73 3k40 h GLU 131 CO -0.00 0.00 -0.61 1.19 -1.40 0.00 0.00 179.01 178.19 3k40 n PHE 132 N -3.13 0.00 -3.51 4.33 3.72 -0.55 -3.80 117.46 114.52 3k40 n PHE 132 Ca -0.03 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.00 3k40 n PHE 132 Cb 0.07 -0.13 -0.07 0.00 -0.94 0.00 0.00 39.48 38.41 3k40 n PHE 132 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3k40 s LEU 133 N -2.86 4.21 0.34 4.37 1.43 -0.28 -3.15 118.68 122.74 3k40 s LEU 133 Ca 0.13 0.48 0.05 0.00 -1.03 0.00 0.00 54.13 53.76 3k40 s LEU 133 Cb 0.17 -2.39 0.63 0.00 0.03 0.00 0.00 46.19 44.63 3k40 s LEU 133 CO 0.71 0.05 1.88 0.00 0.23 0.00 0.00 176.35 179.22 3k40 h ALA 134 N 6.91 1.39 0.00 4.21 0.00 -1.86 -2.72 119.26 127.19 3k40 h ALA 134 Ca -0.40 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3k40 h ALA 134 Cb 1.16 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3k40 h ALA 134 CO 0.74 0.42 0.00 0.00 0.00 0.00 0.00 179.25 180.42 3k40 h SER 136 N 0.00 0.00 0.00 0.00 4.64 -1.74 -3.47 113.55 112.98 3k40 h SER 136 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3k40 h SER 136 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3k40 h SER 136 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3k40 n GLY 137 N 0.77 0.76 0.00 -0.77 0.00 -0.54 -5.05 105.19 100.35 3k40 n GLY 137 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3k40 n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k40 n GLY 138 N -2.34 -0.18 0.16 -0.02 0.00 -1.26 -4.99 105.19 96.56 3k40 n GLY 138 Ca 0.00 -1.70 0.12 0.00 0.00 0.00 0.00 46.02 44.44 3k40 n GLY 138 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k40 h LYS 139 N 0.00 0.00 -7.29 1.61 1.57 -1.88 -3.48 116.57 107.10 3k40 h LYS 139 Ca 0.00 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.27 3k40 h LYS 139 Cb 0.00 0.00 0.10 0.00 0.08 0.00 0.00 32.23 32.41 3k40 h LYS 139 CO 0.00 0.00 0.36 0.20 -0.57 0.00 0.00 179.45 179.44 3k40 s GLY 140 N -4.14 1.80 0.00 3.86 0.00 -1.03 -4.06 107.32 103.75 3k40 s GLY 140 Ca 0.05 0.24 0.00 0.00 0.00 0.00 0.00 44.72 45.01 3k40 s GLY 140 CO 0.70 0.56 0.00 0.61 0.00 0.00 0.00 173.10 174.97 3k40 n GLY 141 N -1.45 -0.99 3.26 0.20 0.00 -0.84 -3.79 105.19 101.58 3k40 n GLY 141 Ca 0.08 -0.82 -0.14 0.00 0.00 0.00 0.00 46.02 45.14 3k40 n GLY 141 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k40 s GLY 142 N 0.00 1.50 0.01 -0.02 0.00 -1.26 -1.19 107.32 106.37 3k40 s GLY 142 Ca 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 44.72 42.98 3k40 s GLY 142 CO 0.00 -1.52 -0.02 0.54 0.00 0.00 0.00 173.10 172.10 3k40 s VAL 143 N -3.84 0.10 -0.37 1.40 0.11 0.07 -4.82 120.40 113.05 3k40 s VAL 143 Ca 0.34 -0.63 -0.17 0.00 -2.93 0.00 0.00 61.98 58.59 3k40 s VAL 143 Cb 0.07 -0.20 0.00 0.00 -1.53 0.00 0.00 36.38 34.73 3k40 s VAL 143 CO 0.10 -0.33 0.47 -0.63 -3.33 0.00 0.00 175.10 171.38 3k40 s ILE 144 N -0.99 5.05 0.68 7.04 1.01 -1.26 -1.39 121.20 131.34 3k40 s ILE 144 Ca -0.11 0.09 -0.00 0.00 0.00 0.00 0.00 60.65 60.63 3k40 s ILE 144 Cb -0.07 -3.97 0.11 0.00 0.01 0.00 0.00 42.46 38.54 3k40 s ILE 144 CO -0.01 -0.27 0.94 -1.10 0.00 0.00 0.00 174.94 174.51 3k40 s GLN 145 N 2.28 1.88 -0.01 2.79 -1.52 0.14 -4.87 119.66 120.34 3k40 s GLN 145 Ca 0.16 -1.06 -0.12 0.00 -1.95 0.00 0.00 55.36 52.39 3k40 s GLN 145 Cb -0.16 -2.37 -0.32 0.00 -0.22 0.00 0.00 33.01 29.94 3k40 s GLN 145 CO 0.14 -1.28 0.83 0.78 -0.25 0.00 0.00 175.29 175.50 3k40 h GLY 146 N -0.39 0.50 -3.08 3.09 0.00 -1.91 -0.98 103.07 100.30 3k40 h GLY 146 Ca -0.37 -1.27 -0.09 0.00 0.00 0.00 0.00 47.33 45.59 3k40 h GLY 146 CO 0.43 1.12 -0.39 -0.51 0.00 0.00 0.00 176.54 177.19 3k40 s THR 147 N -2.59 0.13 0.29 4.70 -4.23 -1.26 -4.00 115.64 108.68 3k40 s THR 147 Ca -0.12 -1.27 0.15 0.00 -1.18 0.00 0.00 61.69 59.27 3k40 s THR 147 Cb 0.05 -1.46 0.08 0.00 1.34 0.00 0.00 72.50 72.52 3k40 s THR 147 CO 0.89 -0.60 1.76 0.00 -0.54 0.00 0.00 174.62 176.13 3k40 h ALA 148 N 2.74 1.15 -0.44 3.99 0.00 -1.94 -1.55 119.26 123.21 3k40 h ALA 148 Ca -0.34 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.17 3k40 h ALA 148 Cb 1.20 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 3k40 h ALA 148 CO 0.55 0.53 0.21 0.77 0.00 0.00 0.00 179.25 181.32 3k40 h SER 149 N 0.00 0.58 -0.51 0.00 0.02 -1.95 0.09 113.55 111.77 3k40 h SER 149 Ca -0.00 -0.13 -0.05 0.00 -0.84 0.00 0.00 61.79 60.77 3k40 h SER 149 Cb 0.83 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.20 3k40 h SER 149 CO 0.06 0.54 0.14 -0.08 -1.14 0.00 0.00 176.83 176.34 3k40 h GLU 150 N 0.57 0.81 -0.36 3.45 4.81 -1.91 -2.28 114.58 119.67 3k40 h GLU 150 Ca 0.15 -0.19 0.01 0.00 -0.13 0.00 0.00 59.36 59.20 3k40 h GLU 150 Cb 0.12 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 3k40 h GLU 150 CO -0.02 0.77 0.23 0.77 -0.73 0.00 0.00 179.01 180.04 3k40 h SER 151 N 0.71 0.39 -0.67 1.04 0.02 -0.81 0.53 113.55 114.76 3k40 h SER 151 Ca 0.16 -0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.15 3k40 h SER 151 Cb 0.32 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 62.72 3k40 h SER 151 CO -0.00 0.29 0.40 0.74 -1.14 0.00 0.00 176.83 177.11 3k40 h THR 152 N 0.47 1.04 -0.15 -2.27 2.02 -0.91 -0.71 112.91 112.41 3k40 h THR 152 Ca 0.14 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 3k40 h THR 152 Cb -0.04 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 66.58 3k40 h THR 152 CO -0.04 0.14 0.04 0.25 0.37 0.00 0.00 175.52 176.28 3k40 h LEU 153 N 0.76 0.21 -0.69 2.58 5.85 -0.96 -1.06 115.31 122.01 3k40 h LEU 153 Ca 0.28 -0.21 0.07 0.00 0.84 0.00 0.00 57.88 58.86 3k40 h LEU 153 Cb 0.09 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.00 3k40 h LEU 153 CO -0.14 0.37 0.37 0.58 -0.34 0.00 0.00 178.44 179.29 3k40 h VAL 154 N 0.05 0.92 -0.36 1.05 2.07 -0.70 0.29 116.25 119.57 3k40 h VAL 154 Ca 0.05 -0.23 -0.12 0.00 0.82 0.00 0.00 66.70 67.22 3k40 h VAL 154 Cb 0.23 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 3k40 h VAL 154 CO -0.00 0.12 -0.25 0.00 0.02 0.00 0.00 177.57 177.46 3k40 h ALA 155 N 1.38 0.88 -0.46 1.67 0.00 -1.04 -1.27 119.26 120.43 3k40 h ALA 155 Ca 0.32 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3k40 h ALA 155 Cb 0.26 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3k40 h ALA 155 CO -0.21 0.63 0.15 1.25 0.00 0.00 0.00 179.25 181.06 3k40 h LEU 156 N 0.63 0.66 -0.73 0.00 6.46 -0.48 0.11 115.31 121.97 3k40 h LEU 156 Ca 0.08 -0.20 -0.05 0.00 -0.12 0.00 0.00 57.88 57.60 3k40 h LEU 156 Cb 0.75 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.48 3k40 h LEU 156 CO 0.06 0.68 0.27 -0.07 -0.62 0.00 0.00 178.44 178.76 3k40 h LEU 157 N 0.60 1.02 -0.17 2.25 3.38 -0.78 0.12 115.31 121.73 3k40 h LEU 157 Ca 0.15 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3k40 h LEU 157 Cb 0.25 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3k40 h LEU 157 CO -0.01 0.92 0.09 1.23 0.09 0.00 0.00 178.44 180.76 3k40 h GLY 158 N 1.05 0.26 0.78 0.83 0.00 -0.95 -0.83 103.07 104.20 3k40 h GLY 158 Ca 0.24 -0.13 0.05 0.00 0.00 0.00 0.00 47.33 47.49 3k40 h GLY 158 CO -0.02 0.12 0.51 0.00 0.00 0.00 0.00 176.54 177.15 3k40 h ALA 159 N 0.96 1.10 0.05 3.60 0.00 -0.53 -0.58 119.26 123.86 3k40 h ALA 159 Ca 0.06 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3k40 h ALA 159 Cb 0.10 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3k40 h ALA 159 CO -0.01 0.27 -0.03 -0.22 0.00 0.00 0.00 179.25 179.27 3k40 h LYS 160 N 0.95 -0.07 -0.78 0.00 3.64 -0.46 -0.42 116.57 119.42 3k40 h LYS 160 Ca 0.34 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.77 3k40 h LYS 160 Cb 0.11 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.90 3k40 h LYS 160 CO -0.15 -0.01 0.49 0.00 -2.27 0.00 0.00 179.45 177.51 3k40 h ALA 161 N 0.83 1.04 -0.20 5.00 0.00 -0.95 0.11 119.26 125.09 3k40 h ALA 161 Ca -0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3k40 h ALA 161 Cb 0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3k40 h ALA 161 CO 0.01 0.28 0.05 -0.22 0.00 0.00 0.00 179.25 179.37 3k40 h LYS 162 N 0.94 0.31 -0.34 0.00 3.64 -0.92 -1.22 116.57 118.98 3k40 h LYS 162 Ca 0.32 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.60 3k40 h LYS 162 Cb 0.06 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 3k40 h LYS 162 CO -0.13 0.44 0.09 -0.22 -2.27 0.00 0.00 179.45 177.35 3k40 h LYS 163 N 0.13 0.54 -0.43 1.90 1.63 -0.83 -1.23 116.57 118.28 3k40 h LYS 163 Ca 0.06 -0.13 0.09 0.00 -0.85 0.00 0.00 60.65 59.82 3k40 h LYS 163 Cb 0.26 -0.07 -0.09 0.00 -0.60 0.00 0.00 32.23 31.73 3k40 h LYS 163 CO 0.00 0.59 -0.27 1.25 -3.45 0.00 0.00 179.45 177.57 3k40 h LEU 164 N 0.40 -0.92 -0.38 5.20 6.46 -0.66 0.22 115.31 125.63 3k40 h LEU 164 Ca 0.11 0.18 0.00 0.00 -0.12 0.00 0.00 57.88 58.05 3k40 h LEU 164 Cb 0.29 0.46 -0.02 0.00 -0.73 0.00 0.00 40.66 40.66 3k40 h LEU 164 CO 0.00 -0.28 0.24 0.50 -0.62 0.00 0.00 178.44 178.27 3k40 h LYS 165 N -0.19 0.50 -0.43 1.25 1.63 -0.95 -0.29 116.57 118.09 3k40 h LYS 165 Ca 0.20 -0.04 -0.10 0.00 -0.85 0.00 0.00 60.65 59.85 3k40 h LYS 165 Cb 0.50 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 32.01 3k40 h LYS 165 CO -0.54 0.36 -0.15 0.93 -3.45 0.00 0.00 179.45 176.60 3k40 h GLU 166 N 0.50 0.80 -0.00 1.90 5.08 -0.65 -0.57 114.58 121.63 3k40 h GLU 166 Ca 0.14 -0.29 -0.20 0.00 -1.00 0.00 0.00 59.36 58.00 3k40 h GLU 166 Cb -0.02 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 3k40 h GLU 166 CO -0.03 0.91 -0.87 0.28 -1.00 0.00 0.00 179.01 178.30 3k40 h VAL 167 N 0.72 1.46 0.44 3.13 2.07 -0.34 -2.87 116.25 120.85 3k40 h VAL 167 Ca 0.11 -2.53 -0.02 0.00 0.82 0.00 0.00 66.70 65.08 3k40 h VAL 167 Cb 0.65 2.42 0.00 0.00 -1.52 0.00 0.00 31.29 32.84 3k40 h VAL 167 CO 0.05 0.74 -0.21 0.11 0.02 0.00 0.00 177.57 178.28 3k40 h LYS 168 N 0.15 -0.57 -0.93 1.57 1.57 -0.95 -0.46 116.57 116.94 3k40 h LYS 168 Ca -0.05 0.04 0.27 0.00 -1.87 0.00 0.00 60.65 59.04 3k40 h LYS 168 Cb 1.49 0.13 -0.16 0.00 0.08 0.00 0.00 32.23 33.78 3k40 h LYS 168 CO 0.14 -0.29 0.27 0.93 -0.57 0.00 0.00 179.45 179.92 3k40 h GLU 169 N -0.77 0.15 0.00 3.15 3.07 -1.13 0.11 114.58 119.15 3k40 h GLU 169 Ca -0.06 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 3k40 h GLU 169 Cb 0.54 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.42 3k40 h GLU 169 CO 0.10 0.10 -0.58 1.25 -1.40 0.00 0.00 179.01 178.48 3k40 h LEU 170 N 0.15 0.00 -6.02 1.33 7.12 -1.46 -3.39 115.31 113.05 3k40 h LEU 170 Ca 0.62 -0.02 -0.54 0.00 0.13 0.00 0.00 57.88 58.07 3k40 h LEU 170 Cb 1.34 0.00 -0.36 0.00 -0.53 0.00 0.00 40.66 41.11 3k40 h LEU 170 CO -0.72 0.01 -1.01 1.41 -0.13 0.00 0.00 178.44 178.00 3k40 n HIS 171 N -2.74 -0.84 0.31 1.25 8.25 0.25 -4.99 115.22 116.72 3k40 n HIS 171 Ca 0.02 -3.30 0.20 0.00 -0.26 0.00 0.00 57.72 54.37 3k40 n HIS 171 Cb 0.53 0.01 1.06 0.00 1.12 0.00 0.00 29.99 32.71 3k40 n HIS 171 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3k40 h PRO 172 N 4.52 0.00 0.00 -0.41 0.11 -1.40 -1.28 132.00 133.54 3k40 h PRO 172 Ca 0.12 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.20 3k40 h PRO 172 Cb 0.91 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.01 3k40 h PRO 172 CO 0.41 0.00 -0.14 1.05 -0.21 0.00 0.00 178.00 179.12 3k40 h GLU 173 N 0.00 0.00 -6.72 1.05 9.09 -1.94 -3.45 114.58 112.61 3k40 h GLU 173 Ca 0.00 0.00 -0.50 0.00 0.05 0.00 0.00 59.36 58.91 3k40 h GLU 173 Cb 0.11 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.20 3k40 h GLU 173 CO 0.00 0.14 0.38 -1.58 0.05 0.00 0.00 179.01 178.00 3k40 s TRP 174 N -3.29 3.87 0.64 2.06 0.51 -0.48 -5.06 118.94 117.19 3k40 s TRP 174 Ca 0.05 1.84 -0.07 0.00 -2.12 0.00 0.00 56.10 55.80 3k40 s TRP 174 Cb 0.07 -3.06 0.03 0.00 -0.81 0.00 0.00 33.47 29.69 3k40 s TRP 174 CO 0.66 0.18 0.96 0.16 -0.51 0.00 0.00 176.95 178.41 3k40 s ASP 175 N -0.85 5.31 0.17 2.95 3.84 -1.26 -4.96 116.67 121.86 3k40 s ASP 175 Ca 0.43 0.67 -0.14 0.00 -0.00 0.00 0.00 52.55 53.51 3k40 s ASP 175 Cb -0.27 -1.52 0.06 0.00 -1.38 0.00 0.00 42.92 39.81 3k40 s ASP 175 CO 0.33 -1.28 1.80 -0.33 -0.00 0.00 0.00 175.17 175.70 3k40 h GLU 176 N -0.37 0.70 -0.72 2.11 5.08 -1.99 -2.61 114.58 116.78 3k40 h GLU 176 Ca -0.45 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 3k40 h GLU 176 Cb 1.28 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 30.34 3k40 h GLU 176 CO 0.61 0.51 0.47 1.25 -1.00 0.00 0.00 179.01 180.84 3k40 h HIS 177 N 0.69 0.91 -0.10 4.33 2.76 -1.98 0.23 115.15 122.00 3k40 h HIS 177 Ca 0.19 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.35 3k40 h HIS 177 Cb -0.01 -0.31 -0.00 0.00 1.55 0.00 0.00 27.41 28.63 3k40 h HIS 177 CO -0.03 0.58 -0.03 1.15 -1.30 0.00 0.00 177.93 178.31 3k40 h THR 178 N 0.98 1.30 0.15 6.26 2.02 -1.90 -0.96 112.91 120.76 3k40 h THR 178 Ca 0.26 -0.97 -0.01 0.00 0.77 0.00 0.00 66.41 66.46 3k40 h THR 178 Cb -0.10 1.74 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 3k40 h THR 178 CO -0.06 0.27 -0.07 0.40 0.37 0.00 0.00 175.52 176.44 3k40 h ILE 179 N -0.14 0.87 -0.49 3.11 2.04 -1.08 -3.09 117.51 118.74 3k40 h ILE 179 Ca 0.02 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 3k40 h ILE 179 Cb 0.45 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 3k40 h ILE 179 CO 0.01 0.02 0.30 -0.07 0.00 0.00 0.00 178.15 178.41 3k40 h LEU 180 N -0.24 0.57 -1.24 1.44 3.38 -0.56 -1.29 115.31 117.36 3k40 h LEU 180 Ca -0.02 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3k40 h LEU 180 Cb 0.19 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3k40 h LEU 180 CO 0.03 0.44 0.00 1.23 0.09 0.00 0.00 178.44 180.23 3k40 h GLY 181 N 0.70 0.00 0.56 0.83 0.00 -1.09 -3.05 103.07 101.02 3k40 h GLY 181 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 3k40 h GLY 181 CO -0.03 0.00 -0.85 0.28 0.00 0.00 0.00 176.54 175.94 3k40 n LYS 182 N -2.45 0.11 -2.27 4.80 5.02 -0.49 -4.96 118.16 117.92 3k40 n LYS 182 Ca 0.00 -0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.88 3k40 n LYS 182 Cb 0.17 -1.54 -0.03 0.00 -0.02 0.00 0.00 35.03 33.61 3k40 n LYS 182 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3k40 s LEU 183 N -3.36 4.43 -0.05 -0.35 1.43 -1.15 -0.57 118.68 119.05 3k40 s LEU 183 Ca 0.07 2.34 0.02 0.00 -1.03 0.00 0.00 54.13 55.53 3k40 s LEU 183 Cb 0.16 -3.61 0.01 0.00 0.03 0.00 0.00 46.19 42.78 3k40 s LEU 183 CO 0.79 -0.47 -0.09 0.54 0.23 0.00 0.00 176.35 177.35 3k40 s VAL 184 N 0.04 0.84 0.42 -1.59 0.11 -0.61 -2.62 120.40 116.99 3k40 s VAL 184 Ca 0.55 -0.33 0.08 0.00 -2.93 0.00 0.00 61.98 59.35 3k40 s VAL 184 Cb -0.35 -0.79 -0.03 0.00 -1.53 0.00 0.00 36.38 33.68 3k40 s VAL 184 CO 0.38 0.28 0.34 -0.83 -3.33 0.00 0.00 175.10 171.94 3k40 s GLY 185 N 0.61 2.18 0.03 6.54 0.00 0.14 -1.35 107.32 115.47 3k40 s GLY 185 Ca -0.11 -1.93 0.02 0.00 0.00 0.00 0.00 44.72 42.70 3k40 s GLY 185 CO 0.02 -1.74 -0.06 -0.19 0.00 0.00 0.00 173.10 171.12 3k40 s TYR 186 N -2.50 0.54 0.23 1.90 2.02 -0.03 -0.13 117.35 119.38 3k40 s TYR 186 Ca 0.47 -0.41 -0.17 0.00 -0.37 0.00 0.00 57.07 56.59 3k40 s TYR 186 Cb -0.02 -0.34 0.02 0.00 -0.40 0.00 0.00 41.96 41.23 3k40 s TYR 186 CO 0.27 -0.08 0.56 0.00 -1.57 0.00 0.00 175.55 174.73 3k40 s SER 188 N -2.91 4.74 0.00 0.00 0.15 -1.26 -0.13 113.70 114.29 3k40 s SER 188 Ca 0.12 2.12 0.10 0.00 0.70 0.00 0.00 55.95 58.99 3k40 s SER 188 Cb -0.02 -2.56 0.42 0.00 -1.71 0.00 0.00 66.02 62.14 3k40 s SER 188 CO 0.02 -1.89 1.31 -0.90 1.20 0.00 0.00 173.24 172.98 3k40 n ASP 189 N -2.58 0.00 -1.11 5.45 3.85 -0.30 -1.38 116.55 120.48 3k40 n ASP 189 Ca 0.11 0.49 0.11 0.00 -0.71 0.00 0.00 54.79 54.80 3k40 n ASP 189 Cb 0.51 -0.50 0.20 0.00 -1.35 0.00 0.00 41.12 39.99 3k40 n ASP 189 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3k40 n GLN 190 N -1.50 2.45 -1.68 0.11 1.13 -1.26 -4.99 117.38 111.64 3k40 n GLN 190 Ca 0.02 -2.24 -0.34 0.00 -1.94 0.00 0.00 57.00 52.50 3k40 n GLN 190 Cb 0.11 -1.49 0.06 0.00 0.11 0.00 0.00 30.24 29.03 3k40 n GLN 190 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3k40 s ALA 191 N -1.44 2.34 0.68 -1.58 0.00 -0.48 -4.44 121.76 116.84 3k40 s ALA 191 Ca 0.37 0.79 -0.16 0.00 0.00 0.00 0.00 51.96 52.96 3k40 s ALA 191 Cb 0.22 -3.41 0.01 0.00 0.00 0.00 0.00 23.12 19.94 3k40 s ALA 191 CO 0.30 -1.50 1.19 -1.58 0.00 0.00 0.00 175.76 174.17 3k40 s HIS 192 N -2.02 2.24 0.12 0.00 2.46 -1.26 -4.90 115.29 111.93 3k40 s HIS 192 Ca 0.72 1.57 0.31 0.00 0.47 0.00 0.00 55.06 58.13 3k40 s HIS 192 Cb -0.26 -3.42 1.65 0.00 -0.13 0.00 0.00 32.58 30.41 3k40 s HIS 192 CO 0.41 -2.35 1.95 0.66 -2.47 0.00 0.00 174.74 172.94 3k40 h SER 193 N 0.06 0.00 0.43 9.88 4.64 -2.00 -1.49 113.55 125.07 3k40 h SER 193 Ca -0.48 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.83 3k40 h SER 193 Cb 1.29 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3k40 h SER 193 CO 0.52 0.00 -0.05 0.77 -0.87 0.00 0.00 176.83 177.20 3k40 h SER 194 N 0.00 0.00 -0.14 4.97 4.64 -1.97 -0.37 113.55 120.68 3k40 h SER 194 Ca 0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 3k40 h SER 194 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3k40 h SER 194 CO 0.00 0.05 -0.40 0.58 -0.87 0.00 0.00 176.83 176.19 3k40 h VAL 195 N 0.00 1.36 -0.59 0.95 2.07 -1.63 -1.04 116.25 117.37 3k40 h VAL 195 Ca -0.00 -1.69 0.03 0.00 0.82 0.00 0.00 66.70 65.86 3k40 h VAL 195 Cb 0.28 2.07 -0.04 0.00 -1.52 0.00 0.00 31.29 32.08 3k40 h VAL 195 CO 0.01 0.51 0.36 -0.08 0.02 0.00 0.00 177.57 178.39 3k40 h GLU 196 N 0.13 0.69 -0.42 1.57 4.81 -1.53 -0.28 114.58 119.55 3k40 h GLU 196 Ca -0.01 -0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.25 3k40 h GLU 196 Cb 1.02 -0.15 -0.06 0.00 0.63 0.00 0.00 28.75 30.18 3k40 h GLU 196 CO 0.09 0.45 0.03 0.00 -0.73 0.00 0.00 179.01 178.85 3k40 h ARG 197 N 0.71 0.14 -0.78 1.92 3.08 -1.03 -1.74 114.38 116.68 3k40 h ARG 197 Ca 0.24 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.23 3k40 h ARG 197 Cb 0.03 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 3k40 h ARG 197 CO -0.11 0.09 0.30 0.00 -1.07 0.00 0.00 179.97 179.19 3k40 h ALA 198 N 1.35 1.06 -0.57 0.04 0.00 -0.52 -0.88 119.26 119.73 3k40 h ALA 198 Ca 0.20 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3k40 h ALA 198 Cb 0.28 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3k40 h ALA 198 CO -0.32 0.66 0.35 0.78 0.00 0.00 0.00 179.25 180.72 3k40 h GLY 199 N 1.15 0.83 0.71 0.00 0.00 -0.47 0.17 103.07 105.47 3k40 h GLY 199 Ca 0.26 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 3k40 h GLY 199 CO -0.02 0.33 -0.06 1.41 0.00 0.00 0.00 176.54 178.21 3k40 h LEU 200 N 0.77 -0.14 -1.18 3.11 3.38 -0.94 -0.61 115.31 119.70 3k40 h LEU 200 Ca 0.21 -0.24 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 3k40 h LEU 200 Cb -0.02 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3k40 h LEU 200 CO -0.04 0.17 -0.33 -0.07 0.09 0.00 0.00 178.44 178.26 3k40 h LEU 201 N -0.46 0.15 -0.00 1.67 3.38 -1.15 -2.37 115.31 116.52 3k40 h LEU 201 Ca -0.02 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3k40 h LEU 201 Cb 0.37 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3k40 h LEU 201 CO 0.03 0.47 0.00 0.61 0.09 0.00 0.00 178.44 179.64 3k40 n GLY 202 N -0.46 -1.58 2.86 0.83 0.00 0.59 -4.95 105.19 102.48 3k40 n GLY 202 Ca -0.01 -0.07 -0.16 0.00 0.00 0.00 0.00 46.02 45.78 3k40 n GLY 202 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k40 n GLY 203 N 1.40 -0.02 3.42 -0.02 0.00 -0.31 -5.04 105.19 104.62 3k40 n GLY 203 Ca 0.06 -0.07 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 3k40 n GLY 203 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3k40 s VAL 204 N -3.21 1.30 0.24 1.61 -7.23 -0.74 -4.89 120.40 107.48 3k40 s VAL 204 Ca 0.38 -2.04 -0.29 0.00 -1.81 0.00 0.00 61.98 58.22 3k40 s VAL 204 Cb -0.17 -2.58 -0.09 0.00 0.56 0.00 0.00 36.38 34.10 3k40 s VAL 204 CO 0.47 -0.17 0.92 -0.54 -0.31 0.00 0.00 175.10 175.47 3k40 s LYS 205 N -3.83 4.79 -0.09 4.82 1.02 -1.08 -4.56 119.74 120.81 3k40 s LYS 205 Ca 0.32 1.42 0.04 0.00 0.02 0.00 0.00 55.97 57.78 3k40 s LYS 205 Cb 0.07 -3.22 0.00 0.00 -0.52 0.00 0.00 37.83 34.15 3k40 s LYS 205 CO 0.13 0.50 -0.22 -1.17 -0.92 0.00 0.00 175.35 173.67 3k40 s LEU 206 N -1.28 2.02 -0.16 3.17 2.96 -1.26 0.26 118.68 124.39 3k40 s LEU 206 Ca 0.41 -0.51 -0.06 0.00 -0.22 0.00 0.00 54.13 53.75 3k40 s LEU 206 Cb -0.25 -1.31 -0.04 0.00 0.50 0.00 0.00 46.19 45.09 3k40 s LEU 206 CO 0.30 0.14 0.03 -0.13 -1.32 0.00 0.00 176.35 175.38 3k40 s ARG 207 N 0.36 3.80 -0.07 1.98 1.81 0.81 -4.96 118.95 122.68 3k40 s ARG 207 Ca -0.17 -0.38 -0.29 0.00 -1.72 0.00 0.00 55.73 53.17 3k40 s ARG 207 Cb -0.17 -3.10 -0.02 0.00 -0.45 0.00 0.00 34.95 31.20 3k40 s ARG 207 CO 0.08 0.32 0.95 -1.12 -0.68 0.00 0.00 175.30 174.85 3k40 s SER 208 N 0.20 7.23 -0.21 0.23 0.01 -1.26 -1.56 113.70 118.34 3k40 s SER 208 Ca 0.03 1.50 -0.10 0.00 1.31 0.00 0.00 55.95 58.69 3k40 s SER 208 Cb -0.13 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 63.52 3k40 s SER 208 CO 0.01 -0.34 0.13 -0.69 0.41 0.00 0.00 173.24 172.76 3k40 s VAL 209 N 1.56 5.34 0.08 3.43 1.01 0.82 -4.83 120.40 127.81 3k40 s VAL 209 Ca 0.47 0.17 -0.31 0.00 0.00 0.00 0.00 61.98 62.31 3k40 s VAL 209 Cb -0.19 -3.45 -0.09 0.00 0.00 0.00 0.00 36.38 32.65 3k40 s VAL 209 CO 0.21 0.41 1.65 -1.58 0.00 0.00 0.00 175.10 175.80 3k40 s GLN 210 N 0.57 4.20 0.63 2.72 2.00 -1.26 -1.15 119.66 127.35 3k40 s GLN 210 Ca 0.07 2.35 -0.06 0.00 -2.00 0.00 0.00 55.36 55.73 3k40 s GLN 210 Cb -0.12 -3.54 0.03 0.00 0.80 0.00 0.00 33.01 30.18 3k40 s GLN 210 CO 0.00 -0.73 0.93 -1.54 -0.50 0.00 0.00 175.29 173.45 3k40 s SER 211 N 2.27 5.31 -0.19 6.67 1.04 -1.26 -4.72 113.70 122.82 3k40 s SER 211 Ca 0.74 0.58 0.01 0.00 0.48 0.00 0.00 55.95 57.76 3k40 s SER 211 Cb -0.41 -1.46 0.04 0.00 0.10 0.00 0.00 66.02 64.30 3k40 s SER 211 CO 0.32 -1.25 -0.12 -0.70 0.98 0.00 0.00 173.24 172.48 3k40 s GLU 212 N -5.06 2.22 -1.47 4.02 2.12 0.58 -4.66 118.70 116.46 3k40 s GLU 212 Ca 0.56 -0.84 -0.09 0.00 0.36 0.00 0.00 54.97 54.97 3k40 s GLU 212 Cb -0.11 -2.42 0.06 0.00 0.26 0.00 0.00 34.13 31.92 3k40 s GLU 212 CO 0.45 -0.38 0.83 0.09 -0.54 0.00 0.00 175.26 175.71 3k40 n ASN 213 N 4.67 -3.16 0.00 -1.70 5.03 -1.26 -1.57 115.26 117.26 3k40 n ASN 213 Ca -0.16 -0.83 0.00 0.00 0.87 0.00 0.00 54.58 54.46 3k40 n ASN 213 Cb 0.47 -3.78 0.00 0.00 -1.02 0.00 0.00 39.78 35.45 3k40 n ASN 213 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 3k40 n HIS 214 N -4.52 0.00 -5.22 3.10 8.25 -1.26 -5.00 115.22 110.58 3k40 n HIS 214 Ca -0.09 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.05 3k40 n HIS 214 Cb 0.58 -0.33 -0.17 0.00 1.12 0.00 0.00 29.99 31.20 3k40 n HIS 214 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3k40 s ARG 215 N -0.25 3.01 0.06 -0.41 0.52 -0.61 -4.65 118.95 116.61 3k40 s ARG 215 Ca 0.00 -0.88 -0.30 0.00 -0.52 0.00 0.00 55.73 54.03 3k40 s ARG 215 Cb 0.00 -2.29 -0.05 0.00 0.52 0.00 0.00 34.95 33.13 3k40 s ARG 215 CO 0.00 0.20 1.10 1.41 0.02 0.00 0.00 175.30 178.03 3k40 s MET 216 N 0.29 4.51 0.01 3.54 -2.45 -1.26 -0.30 119.30 123.63 3k40 s MET 216 Ca -0.17 1.63 -0.02 0.00 -1.25 0.00 0.00 55.69 55.88 3k40 s MET 216 Cb -0.18 -3.38 -0.04 0.00 1.25 0.00 0.00 34.83 32.49 3k40 s MET 216 CO 0.08 -0.13 0.19 1.03 1.05 0.00 0.00 175.02 177.25 3k40 s ARG 217 N 0.83 3.44 0.28 4.11 1.81 -1.26 -1.83 118.95 126.32 3k40 s ARG 217 Ca 0.55 -0.35 0.00 0.00 -1.72 0.00 0.00 55.73 54.22 3k40 s ARG 217 Cb -0.26 -3.08 0.54 0.00 -0.45 0.00 0.00 34.95 31.70 3k40 s ARG 217 CO 0.29 0.65 1.82 0.78 -0.68 0.00 0.00 175.30 178.17 3k40 h GLY 218 N 3.60 1.57 1.20 -3.53 0.00 -1.82 -2.06 103.07 102.03 3k40 h GLY 218 Ca -0.48 -0.38 -0.06 0.00 0.00 0.00 0.00 47.33 46.42 3k40 h GLY 218 CO 0.71 0.11 0.18 0.00 0.00 0.00 0.00 176.54 177.54 3k40 h ALA 219 N 1.54 1.10 -0.29 3.60 0.00 -1.95 0.28 119.26 123.54 3k40 h ALA 219 Ca 0.48 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 3k40 h ALA 219 Cb 0.53 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3k40 h ALA 219 CO -0.29 0.61 0.00 0.00 0.00 0.00 0.00 179.25 179.57 3k40 h ALA 220 N 1.24 0.39 -0.21 0.00 0.00 -1.86 -0.94 119.26 117.88 3k40 h ALA 220 Ca 0.21 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3k40 h ALA 220 Cb 0.30 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3k40 h ALA 220 CO -0.00 0.13 0.13 1.25 0.00 0.00 0.00 179.25 180.76 3k40 h LEU 221 N 0.30 0.25 -1.00 0.00 5.85 -1.03 -2.37 115.31 117.31 3k40 h LEU 221 Ca 0.08 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 3k40 h LEU 221 Cb 0.43 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 3k40 h LEU 221 CO 0.01 0.21 0.57 -0.08 -0.34 0.00 0.00 178.44 178.81 3k40 h GLU 222 N 0.27 1.25 -0.51 1.25 4.81 -0.36 -1.26 114.58 120.03 3k40 h GLU 222 Ca 0.08 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3k40 h GLU 222 Cb -0.00 -0.27 -0.03 0.00 0.63 0.00 0.00 28.75 29.09 3k40 h GLU 222 CO -0.02 0.87 0.33 -0.22 -0.73 0.00 0.00 179.01 179.24 3k40 h LYS 223 N 1.28 0.68 -0.34 1.92 3.64 -1.01 -1.02 116.57 121.72 3k40 h LYS 223 Ca 0.33 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.66 3k40 h LYS 223 Cb -0.07 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.58 3k40 h LYS 223 CO -0.06 0.47 0.21 0.00 -2.27 0.00 0.00 179.45 177.79 3k40 h ALA 224 N 1.18 0.43 -0.16 5.00 0.00 -0.87 -1.76 119.26 123.08 3k40 h ALA 224 Ca 0.19 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3k40 h ALA 224 Cb -0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3k40 h ALA 224 CO -0.04 -0.08 0.07 0.82 0.00 0.00 0.00 179.25 180.03 3k40 h ILE 225 N 0.45 1.00 -0.79 0.00 2.04 -0.93 -2.59 117.51 116.67 3k40 h ILE 225 Ca 0.12 -0.06 0.03 0.00 1.00 0.00 0.00 64.86 65.96 3k40 h ILE 225 Cb -0.01 0.82 -0.05 0.00 -0.74 0.00 0.00 36.82 36.84 3k40 h ILE 225 CO -0.02 0.03 0.50 -0.33 0.00 0.00 0.00 178.15 178.33 3k40 h GLU 226 N 0.16 0.95 -0.74 2.37 5.08 -0.98 -1.23 114.58 120.19 3k40 h GLU 226 Ca 0.06 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3k40 h GLU 226 Cb 0.01 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.01 3k40 h GLU 226 CO -0.05 0.63 0.49 1.96 -1.00 0.00 0.00 179.01 181.04 3k40 h GLN 227 N 0.98 0.98 -0.21 2.33 4.20 -1.06 -0.38 115.11 121.94 3k40 h GLN 227 Ca 0.32 -0.06 -0.14 0.00 0.06 0.00 0.00 58.65 58.83 3k40 h GLN 227 Cb 0.03 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.58 3k40 h GLN 227 CO -0.12 0.65 -0.45 -0.44 -0.67 0.00 0.00 178.83 177.80 3k40 h ASP 228 N 1.00 0.56 -0.63 1.46 3.32 -1.06 -2.45 116.42 118.63 3k40 h ASP 228 Ca 0.27 -0.26 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 3k40 h ASP 228 Cb -0.11 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.25 3k40 h ASP 228 CO -0.06 0.93 0.24 0.58 -1.72 0.00 0.00 179.24 179.22 3k40 h VAL 229 N 0.42 1.23 0.00 -1.35 2.07 -0.84 -0.28 116.25 117.51 3k40 h VAL 229 Ca 0.03 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.79 3k40 h VAL 229 Cb 0.96 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 3k40 h VAL 229 CO 0.08 0.30 0.00 0.00 0.02 0.00 0.00 177.57 177.98 3k40 h ALA 230 N 1.31 1.00 -0.02 1.67 0.00 -0.62 -1.02 119.26 121.57 3k40 h ALA 230 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3k40 h ALA 230 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3k40 h ALA 230 CO -0.02 0.00 -0.09 0.39 0.00 0.00 0.00 179.25 179.54 3k40 n GLU 231 N -2.95 1.81 -0.85 0.00 1.02 -0.74 -4.95 120.64 113.98 3k40 n GLU 231 Ca -0.01 -1.34 0.00 0.00 -0.02 0.00 0.00 57.16 55.79 3k40 n GLU 231 Cb 0.18 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 3k40 n GLU 231 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3k40 n GLY 232 N 1.30 0.72 3.85 0.62 0.00 -0.39 -5.05 105.19 106.24 3k40 n GLY 232 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 3k40 n GLY 232 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k40 s LEU 233 N 0.00 2.37 -0.41 0.99 1.43 -0.19 -4.99 118.68 117.88 3k40 s LEU 233 Ca 0.00 0.90 0.03 0.00 -1.03 0.00 0.00 54.13 54.03 3k40 s LEU 233 Cb 0.00 -3.37 0.12 0.00 0.03 0.00 0.00 46.19 42.97 3k40 s LEU 233 CO 0.00 -2.09 0.16 -0.63 0.23 0.00 0.00 176.35 174.02 3k40 s ILE 234 N -3.43 2.03 0.29 -0.59 1.01 0.26 -4.23 121.20 116.53 3k40 s ILE 234 Ca 0.62 -2.57 -0.30 0.00 0.00 0.00 0.00 60.65 58.40 3k40 s ILE 234 Cb -0.12 -2.46 -0.12 0.00 0.01 0.00 0.00 42.46 39.77 3k40 s ILE 234 CO 0.51 -0.73 1.60 -2.65 0.00 0.00 0.00 174.94 173.67 3k40 n PRO 235 N 3.83 2.70 0.00 2.79 -0.02 -1.26 -1.57 135.00 141.46 3k40 n PRO 235 Ca 0.04 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.48 3k40 n PRO 235 Cb 0.37 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.11 3k40 n PRO 235 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 3k40 n PHE 236 N 2.27 0.00 -3.63 6.00 -1.74 -0.46 -4.67 117.46 115.23 3k40 n PHE 236 Ca 0.09 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 56.87 3k40 n PHE 236 Cb 0.36 0.00 -0.07 0.00 1.52 0.00 0.00 39.48 41.29 3k40 n PHE 236 CO 0.00 0.00 0.00 -0.47 -0.56 0.00 0.00 176.76 175.73 3k40 s TYR 237 N -0.04 -0.77 -0.03 2.97 5.04 -1.25 -1.36 117.35 121.91 3k40 s TYR 237 Ca 0.00 1.78 -0.03 0.00 -2.44 0.00 0.00 57.07 56.37 3k40 s TYR 237 Cb 0.00 0.36 0.01 0.00 0.35 0.00 0.00 41.96 42.68 3k40 s TYR 237 CO 0.00 -0.37 0.09 0.00 -1.34 0.00 0.00 175.55 173.93 3k40 s ALA 238 N 0.65 -0.23 -0.23 3.97 0.00 -0.09 -0.85 121.76 124.99 3k40 s ALA 238 Ca -0.02 0.24 -0.09 0.00 0.00 0.00 0.00 51.96 52.10 3k40 s ALA 238 Cb -0.05 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 3k40 s ALA 238 CO -0.05 -0.05 0.12 0.08 0.00 0.00 0.00 175.76 175.85 3k40 s VAL 239 N 0.01 4.92 -0.22 0.00 1.01 -0.18 -1.02 120.40 124.92 3k40 s VAL 239 Ca -0.00 0.03 -0.08 0.00 0.00 0.00 0.00 61.98 61.93 3k40 s VAL 239 Cb -0.01 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 3k40 s VAL 239 CO 0.00 0.36 0.08 -0.69 0.00 0.00 0.00 175.10 174.85 3k40 s VAL 240 N 1.15 4.63 -0.24 2.92 1.01 0.14 -4.17 120.40 125.83 3k40 s VAL 240 Ca 0.06 -0.08 -0.08 0.00 0.00 0.00 0.00 61.98 61.88 3k40 s VAL 240 Cb -0.14 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 3k40 s VAL 240 CO 0.04 0.39 0.10 -0.89 0.00 0.00 0.00 175.10 174.75 3k40 s THR 241 N 1.04 4.76 -0.62 3.92 2.01 -1.26 -0.94 115.64 124.55 3k40 s THR 241 Ca 0.04 -0.02 -0.07 0.00 0.31 0.00 0.00 61.69 61.95 3k40 s THR 241 Cb -0.14 -3.22 0.16 0.00 0.01 0.00 0.00 72.50 69.31 3k40 s THR 241 CO 0.03 0.35 0.48 -0.76 -0.69 0.00 0.00 174.62 174.03 3k40 s LEU 242 N 1.28 5.71 0.00 4.42 1.43 -0.31 -0.64 118.68 130.58 3k40 s LEU 242 Ca 0.06 -2.53 0.00 0.00 -1.03 0.00 0.00 54.13 50.63 3k40 s LEU 242 Cb -0.15 -1.98 0.00 0.00 0.03 0.00 0.00 46.19 44.10 3k40 s LEU 242 CO 0.05 -0.51 0.00 0.61 0.23 0.00 0.00 176.35 176.73 3k40 n GLY 243 N 4.02 0.75 3.74 -3.19 0.00 0.33 -4.26 105.19 106.59 3k40 n GLY 243 Ca 0.05 -0.70 -0.34 0.00 0.00 0.00 0.00 46.02 45.03 3k40 n GLY 243 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3k40 s THR 244 N -0.96 2.64 0.18 2.61 -4.23 0.10 -4.68 115.64 111.29 3k40 s THR 244 Ca 0.00 0.32 -0.08 0.00 -1.18 0.00 0.00 61.69 60.75 3k40 s THR 244 Cb 0.00 -2.89 0.01 0.00 1.34 0.00 0.00 72.50 70.96 3k40 s THR 244 CO 0.00 -0.16 1.58 0.71 -0.54 0.00 0.00 174.62 176.20 3k40 h THR 245 N -0.03 1.27 0.02 3.99 1.35 -1.93 0.23 112.91 117.80 3k40 h THR 245 Ca -0.48 -1.37 -0.00 0.00 -0.55 0.00 0.00 66.41 64.01 3k40 h THR 245 Cb 1.28 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.86 3k40 h THR 245 CO 0.52 0.47 -0.01 0.78 -0.25 0.00 0.00 175.52 177.03 3k40 h ASN 246 N 0.80 -0.02 0.00 5.36 2.35 -1.92 -3.39 115.58 118.76 3k40 h ASN 246 Ca 0.10 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 3k40 h ASN 246 Cb 0.78 0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.16 3k40 h ASN 246 CO 0.06 0.14 0.00 -1.54 -1.65 0.00 0.00 177.43 174.44 3k40 n SER 247 N -5.03 0.41 -3.68 5.81 3.41 -1.24 -4.96 113.62 108.35 3k40 n SER 247 Ca -0.08 -1.18 -0.23 0.00 -0.26 0.00 0.00 58.87 57.12 3k40 n SER 247 Cb 0.11 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.11 3k40 n SER 247 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k40 s ALA 249 N -3.43 3.15 -0.19 0.00 0.00 -1.26 -4.50 121.76 115.53 3k40 s ALA 249 Ca 0.30 -0.40 0.01 0.00 0.00 0.00 0.00 51.96 51.87 3k40 s ALA 249 Cb -0.14 -2.85 0.03 0.00 0.00 0.00 0.00 23.12 20.16 3k40 s ALA 249 CO 0.78 -0.78 -0.17 -0.06 0.00 0.00 0.00 175.76 175.53 3k40 s PHE 250 N -3.10 2.70 0.78 0.00 0.40 -1.26 -0.51 117.98 116.98 3k40 s PHE 250 Ca 0.54 -1.66 -0.14 0.00 -0.60 0.00 0.00 56.93 55.08 3k40 s PHE 250 Cb -0.11 -1.84 0.07 0.00 0.51 0.00 0.00 43.02 41.65 3k40 s PHE 250 CO 0.49 -0.79 1.20 -0.51 0.70 0.00 0.00 175.22 176.31 3k40 s ASP 251 N 1.31 3.85 -1.03 1.36 1.01 0.19 -4.64 116.67 118.72 3k40 s ASP 251 Ca 0.03 2.33 -0.21 0.00 0.71 0.00 0.00 52.55 55.40 3k40 s ASP 251 Cb -0.14 -2.58 0.08 0.00 1.01 0.00 0.00 42.92 41.28 3k40 s ASP 251 CO -0.11 -2.49 1.38 -0.31 0.21 0.00 0.00 175.17 173.85 3k40 s TYR 252 N -2.14 2.77 0.45 4.23 1.51 -0.76 -4.80 117.35 118.61 3k40 s TYR 252 Ca 0.73 -1.14 0.13 0.00 -1.01 0.00 0.00 57.07 55.78 3k40 s TYR 252 Cb -0.28 -4.56 1.02 0.00 -0.11 0.00 0.00 41.96 38.02 3k40 s TYR 252 CO 0.49 -1.77 2.02 1.25 -1.11 0.00 0.00 175.55 176.43 3k40 h LEU 253 N 11.93 0.08 -1.45 -1.29 5.85 -1.88 0.79 115.31 129.35 3k40 h LEU 253 Ca 0.22 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.93 3k40 h LEU 253 Cb 0.99 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.00 3k40 h LEU 253 CO 1.33 0.19 0.00 -2.24 -0.34 0.00 0.00 178.44 177.38 3k40 h ASP 254 N 0.09 0.00 0.02 1.25 2.03 -1.80 0.02 116.42 118.03 3k40 h ASP 254 Ca 0.02 0.00 -0.34 0.00 -0.73 0.00 0.00 57.03 55.98 3k40 h ASP 254 Cb 0.21 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 38.67 3k40 h ASP 254 CO 0.01 0.00 -1.86 -0.62 -1.03 0.00 0.00 179.24 175.74 3k40 n GLU 255 N -3.07 0.61 0.04 4.15 1.02 -0.92 -4.48 120.64 117.99 3k40 n GLU 255 Ca 0.01 0.40 -0.07 0.00 -0.02 0.00 0.00 57.16 57.47 3k40 n GLU 255 Cb 0.30 -1.65 0.09 0.00 -0.02 0.00 0.00 31.44 30.17 3k40 n GLU 255 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3k40 h GLY 257 N 1.24 -0.65 0.70 0.00 0.00 -1.22 -0.31 103.07 102.83 3k40 h GLY 257 Ca 0.00 0.24 0.09 0.00 0.00 0.00 0.00 47.33 47.66 3k40 h GLY 257 CO 0.10 -0.24 0.61 -2.55 0.00 0.00 0.00 176.54 174.47 3k40 h PRO 258 N -0.72 1.00 0.20 4.80 0.11 -1.74 -0.23 132.00 135.42 3k40 h PRO 258 Ca -0.06 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.99 3k40 h PRO 258 Cb 0.52 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 31.39 3k40 h PRO 258 CO 0.10 0.66 -0.19 0.28 -0.21 0.00 0.00 178.00 178.64 3k40 h VAL 259 N 1.03 0.58 -0.51 3.15 2.07 -1.26 0.28 116.25 121.59 3k40 h VAL 259 Ca 0.43 0.00 0.08 0.00 0.82 0.00 0.00 66.70 68.04 3k40 h VAL 259 Cb 0.31 0.58 -0.07 0.00 -1.52 0.00 0.00 31.29 30.59 3k40 h VAL 259 CO -0.19 0.00 0.12 1.23 0.02 0.00 0.00 177.57 178.75 3k40 h GLY 260 N -0.42 0.64 0.92 2.17 0.00 -0.70 -2.01 103.07 103.68 3k40 h GLY 260 Ca -0.00 -0.04 0.01 0.00 0.00 0.00 0.00 47.33 47.30 3k40 h GLY 260 CO -0.04 -0.06 0.18 3.43 0.00 0.00 0.00 176.54 180.05 3k40 h ASN 261 N 0.26 0.29 -0.92 0.19 2.35 -0.71 0.57 115.58 117.61 3k40 h ASN 261 Ca 0.26 0.00 0.03 0.00 -0.55 0.00 0.00 56.30 56.04 3k40 h ASN 261 Cb 0.34 -0.06 -0.05 0.00 0.05 0.00 0.00 38.32 38.59 3k40 h ASN 261 CO -0.32 0.21 0.60 0.50 -1.65 0.00 0.00 177.43 176.77 3k40 h LYS 262 N 0.37 1.14 -0.43 0.81 3.64 -0.63 -1.30 116.57 120.17 3k40 h LYS 262 Ca 0.12 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3k40 h LYS 262 Cb 0.00 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.57 3k40 h LYS 262 CO -0.06 0.75 0.00 0.72 -2.27 0.00 0.00 179.45 178.59 3k40 n HIS 263 N -4.50 0.57 -3.65 1.91 8.25 -0.78 -4.95 115.22 112.07 3k40 n HIS 263 Ca 0.12 -0.28 -0.24 0.00 -0.26 0.00 0.00 57.72 57.05 3k40 n HIS 263 Cb 0.08 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.26 3k40 n HIS 263 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3k40 n ASN 264 N 0.88 -5.32 -4.89 0.41 5.15 -0.38 -4.97 115.26 106.14 3k40 n ASN 264 Ca 0.16 -0.61 -0.34 0.00 -0.60 0.00 0.00 54.58 53.19 3k40 n ASN 264 Cb 0.41 -4.76 -0.05 0.00 -0.53 0.00 0.00 39.78 34.85 3k40 n ASN 264 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3k40 s LEU 265 N -7.17 4.37 0.05 1.20 1.02 0.05 -4.77 118.68 113.43 3k40 s LEU 265 Ca 0.51 0.52 -0.31 0.00 0.02 0.00 0.00 54.13 54.87 3k40 s LEU 265 Cb -0.23 -2.67 -0.06 0.00 0.02 0.00 0.00 46.19 43.24 3k40 s LEU 265 CO 0.76 0.25 1.36 0.86 0.02 0.00 0.00 176.35 179.60 3k40 s TRP 266 N -1.31 3.09 -0.30 0.29 -0.11 -0.46 -4.30 118.94 115.83 3k40 s TRP 266 Ca 0.28 0.95 -0.11 0.00 1.22 0.00 0.00 56.10 58.43 3k40 s TRP 266 Cb -0.13 -3.63 -0.03 0.00 -1.50 0.00 0.00 33.47 28.18 3k40 s TRP 266 CO 0.17 -2.23 0.20 0.42 -4.62 0.00 0.00 176.95 170.89 3k40 s ILE 267 N 1.73 5.15 -0.17 5.86 -1.09 -1.26 -0.91 121.20 130.51 3k40 s ILE 267 Ca 0.63 -0.07 -0.05 0.00 -2.23 0.00 0.00 60.65 58.94 3k40 s ILE 267 Cb -0.33 -3.54 -0.03 0.00 -1.58 0.00 0.00 42.46 36.98 3k40 s ILE 267 CO 0.28 0.14 -0.01 -2.28 -1.23 0.00 0.00 174.94 171.84 3k40 s HIS 268 N 1.72 3.07 -0.33 3.97 5.65 -0.19 -0.53 115.29 128.65 3k40 s HIS 268 Ca 0.06 -0.27 -0.12 0.00 0.25 0.00 0.00 55.06 54.99 3k40 s HIS 268 Cb -0.17 -2.00 -0.02 0.00 -1.18 0.00 0.00 32.58 29.21 3k40 s HIS 268 CO 0.10 -0.05 0.22 0.08 -0.65 0.00 0.00 174.74 174.44 3k40 s VAL 269 N 0.50 5.15 -0.52 0.89 1.01 -0.27 -0.68 120.40 126.47 3k40 s VAL 269 Ca -0.02 -0.21 -0.17 0.00 0.00 0.00 0.00 61.98 61.57 3k40 s VAL 269 Cb -0.14 -3.62 0.09 0.00 0.00 0.00 0.00 36.38 32.71 3k40 s VAL 269 CO 0.02 0.03 0.55 -0.62 0.00 0.00 0.00 175.10 175.09 3k40 s ASP 270 N 1.70 6.18 -0.28 3.32 2.15 -0.12 -1.27 116.67 128.36 3k40 s ASP 270 Ca 0.06 -1.35 0.08 0.00 0.43 0.00 0.00 52.55 51.77 3k40 s ASP 270 Cb -0.17 -2.24 0.46 0.00 -0.30 0.00 0.00 42.92 40.66 3k40 s ASP 270 CO 0.10 -0.87 1.19 0.00 -0.17 0.00 0.00 175.17 175.42 3k40 n ALA 271 N 5.72 4.87 -0.30 3.66 0.00 0.22 -1.16 120.51 133.52 3k40 n ALA 271 Ca -0.11 -3.73 0.01 0.00 0.00 0.00 0.00 53.44 49.61 3k40 n ALA 271 Cb 0.43 -0.33 0.07 0.00 0.00 0.00 0.00 19.45 19.62 3k40 n ALA 271 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k40 h ALA 272 N 2.08 0.34 0.00 0.00 0.00 -1.80 0.53 119.26 120.42 3k40 h ALA 272 Ca 0.33 0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.53 3k40 h ALA 272 Cb 1.49 0.77 0.00 0.00 0.00 0.00 0.00 17.79 20.05 3k40 h ALA 272 CO 0.69 -0.51 -0.33 -0.92 0.00 0.00 0.00 179.25 178.18 3k40 h TYR 273 N -0.03 0.00 0.00 0.00 3.20 -1.86 0.58 116.97 118.86 3k40 h TYR 273 Ca 0.36 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.23 3k40 h TYR 273 Cb 0.61 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.88 3k40 h TYR 273 CO -0.72 0.00 -0.03 0.00 -1.64 0.00 0.00 178.16 175.77 3k40 h ALA 274 N -1.17 1.06 -0.09 1.82 0.00 -1.72 -3.12 119.26 116.04 3k40 h ALA 274 Ca 0.00 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3k40 h ALA 274 Cb 0.33 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 3k40 h ALA 274 CO 0.00 0.04 0.08 0.78 0.00 0.00 0.00 179.25 180.15 3k40 h GLY 275 N 1.07 0.00 1.98 0.00 0.00 -1.12 -1.13 103.07 103.88 3k40 h GLY 275 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 3k40 h GLY 275 CO 0.00 0.00 0.01 1.76 0.00 0.00 0.00 176.54 178.31 3k40 h SER 276 N 0.00 0.03 0.93 0.19 0.02 -1.78 -1.61 113.55 111.32 3k40 h SER 276 Ca 0.04 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3k40 h SER 276 Cb 0.21 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.74 3k40 h SER 276 CO -0.00 0.02 0.00 0.00 -1.14 0.00 0.00 176.83 175.71 3k40 h ALA 277 N 1.98 1.00 0.00 3.77 0.00 -1.46 -3.06 119.26 121.49 3k40 h ALA 277 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3k40 h ALA 277 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3k40 h ALA 277 CO -0.00 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.44 3k40 n PHE 278 N -2.86 0.00 0.70 0.00 3.72 -0.60 -1.41 117.46 117.00 3k40 n PHE 278 Ca 0.01 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.52 3k40 n PHE 278 Cb 0.28 -0.17 0.46 0.00 -0.94 0.00 0.00 39.48 39.10 3k40 n PHE 278 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 3k40 n ILE 279 N -1.17 0.55 -3.73 4.37 -5.35 -1.16 -4.50 119.36 108.37 3k40 n ILE 279 Ca 0.09 0.10 -0.37 0.00 -0.27 0.00 0.00 62.75 62.31 3k40 n ILE 279 Cb 0.09 -0.78 -0.11 0.00 -1.74 0.00 0.00 39.64 37.11 3k40 n ILE 279 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3k40 h PRO 281 N 7.74 0.41 0.00 0.00 0.11 -1.86 -0.99 132.00 137.41 3k40 h PRO 281 Ca -0.37 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3k40 h PRO 281 Cb 1.18 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3k40 h PRO 281 CO 0.62 0.27 0.00 -0.85 -0.21 0.00 0.00 178.00 177.83 3k40 n GLU 282 N -4.49 0.16 0.00 1.05 0.00 -1.26 -2.75 120.64 113.35 3k40 n GLU 282 Ca 0.16 0.44 0.06 0.00 0.00 0.00 0.00 57.16 57.82 3k40 n GLU 282 Cb 0.59 -1.84 -0.03 0.00 0.00 0.00 0.00 31.44 30.17 3k40 n GLU 282 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3k40 n TYR 283 N -2.14 0.00 0.27 -1.84 4.01 -0.39 -4.59 117.16 112.48 3k40 n TYR 283 Ca 0.02 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.88 3k40 n TYR 283 Cb 0.19 0.00 0.77 0.00 -0.31 0.00 0.00 39.34 39.99 3k40 n TYR 283 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3k40 h ARG 284 N 0.77 0.00 -0.60 -0.72 3.08 -1.36 -1.90 114.38 113.65 3k40 h ARG 284 Ca 0.00 0.00 0.17 0.00 0.07 0.00 0.00 59.98 60.22 3k40 h ARG 284 Cb 0.35 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 3k40 h ARG 284 CO 0.00 0.08 0.55 1.12 -1.07 0.00 0.00 179.97 180.66 3k40 h HIS 285 N 0.00 0.00 0.00 3.04 2.07 -1.81 -1.21 115.15 117.24 3k40 h HIS 285 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3k40 h HIS 285 Cb 0.21 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.19 3k40 h HIS 285 CO 0.00 0.00 0.00 -0.07 -3.07 0.00 0.00 177.93 174.79 3k40 h LEU 286 N 0.00 0.00 -3.35 6.12 3.38 -1.69 -1.94 115.31 117.82 3k40 h LEU 286 Ca 0.29 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.11 3k40 h LEU 286 Cb 1.39 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 42.05 3k40 h LEU 286 CO -0.00 0.00 -0.03 1.15 0.09 0.00 0.00 178.44 179.65 3k40 n MET 287 N -2.74 2.10 -1.65 1.13 0.00 -0.46 -4.85 117.12 110.64 3k40 n MET 287 Ca 0.01 -3.09 -0.46 0.00 0.00 0.00 0.00 57.70 54.17 3k40 n MET 287 Cb 0.28 -1.83 -0.03 0.00 0.00 0.00 0.00 33.22 31.63 3k40 n MET 287 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 3k40 n LYS 288 N -0.99 1.82 0.00 3.17 4.81 -0.73 -1.40 118.16 124.83 3k40 n LYS 288 Ca 0.31 0.65 0.00 0.00 -0.87 0.00 0.00 58.31 58.40 3k40 n LYS 288 Cb 1.02 -2.28 0.00 0.00 0.02 0.00 0.00 35.03 33.79 3k40 n LYS 288 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3k40 n GLY 289 N 2.26 0.48 0.45 3.14 0.00 -1.26 -2.50 105.19 107.76 3k40 n GLY 289 Ca 0.13 0.00 0.26 0.00 0.00 0.00 0.00 46.02 46.41 3k40 n GLY 289 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3k40 h ILE 290 N 0.00 0.58 0.00 -0.61 6.09 -1.56 0.18 117.51 122.19 3k40 h ILE 290 Ca 0.00 -0.04 -0.00 0.00 -1.37 0.00 0.00 64.86 63.45 3k40 h ILE 290 Cb 0.00 0.46 -0.00 0.00 0.47 0.00 0.00 36.82 37.75 3k40 h ILE 290 CO 0.00 0.02 -0.01 -0.33 -3.07 0.00 0.00 178.15 174.76 3k40 h GLU 291 N 0.11 0.00 0.00 2.19 3.07 -1.94 -1.23 114.58 116.78 3k40 h GLU 291 Ca 0.44 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.30 3k40 h GLU 291 Cb 1.58 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.49 3k40 h GLU 291 CO -0.06 0.01 -0.07 -1.13 -1.40 0.00 0.00 179.01 176.36 3k40 n SER 292 N -3.75 0.44 -4.75 1.42 3.41 0.05 -4.91 113.62 105.53 3k40 n SER 292 Ca -0.03 0.46 -0.40 0.00 -0.26 0.00 0.00 58.87 58.64 3k40 n SER 292 Cb 0.09 -0.54 -0.05 0.00 -0.26 0.00 0.00 64.21 63.45 3k40 n SER 292 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k40 s ALA 293 N -3.06 3.37 0.04 7.33 0.00 -0.47 -4.73 121.76 124.25 3k40 s ALA 293 Ca 0.12 0.77 0.10 0.00 0.00 0.00 0.00 51.96 52.94 3k40 s ALA 293 Cb 0.16 -3.29 -0.18 0.00 0.00 0.00 0.00 23.12 19.80 3k40 s ALA 293 CO 0.58 -0.04 1.14 -0.44 0.00 0.00 0.00 175.76 177.00 3k40 h ASP 294 N 4.32 0.00 -5.02 0.00 3.32 -1.14 -3.44 116.42 114.46 3k40 h ASP 294 Ca -0.45 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.48 3k40 h ASP 294 Cb 1.21 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.57 3k40 h ASP 294 CO 0.69 0.93 -0.32 -0.94 -1.72 0.00 0.00 179.24 177.87 3k40 s SER 295 N -6.50 -0.10 -0.04 6.45 1.04 -0.79 -1.46 113.70 112.31 3k40 s SER 295 Ca -0.00 -0.11 -0.02 0.00 0.48 0.00 0.00 55.95 56.30 3k40 s SER 295 Cb 0.09 0.30 0.02 0.00 0.10 0.00 0.00 66.02 66.53 3k40 s SER 295 CO 0.81 -0.49 0.08 0.12 0.98 0.00 0.00 173.24 174.74 3k40 s PHE 296 N -1.84 -0.08 -0.01 5.02 5.36 -0.44 -1.11 117.98 124.88 3k40 s PHE 296 Ca -0.10 0.26 0.02 0.00 -0.96 0.00 0.00 56.93 56.14 3k40 s PHE 296 Cb -0.04 -0.07 0.00 0.00 -0.34 0.00 0.00 43.02 42.57 3k40 s PHE 296 CO 0.01 -0.09 -0.05 1.21 -1.46 0.00 0.00 175.22 174.84 3k40 s ASN 297 N 0.64 0.67 0.13 6.13 3.04 -0.40 -0.78 114.94 124.37 3k40 s ASN 297 Ca -0.05 -0.10 -0.04 0.00 0.04 0.00 0.00 52.86 52.71 3k40 s ASN 297 Cb -0.07 -0.14 -0.03 0.00 -1.54 0.00 0.00 41.25 39.48 3k40 s ASN 297 CO -0.03 0.04 0.13 0.72 -3.04 0.00 0.00 177.10 174.92 3k40 s PHE 298 N 0.11 0.66 -0.45 0.43 -0.71 -0.79 -0.61 117.98 116.62 3k40 s PHE 298 Ca -0.01 -1.04 -0.09 0.00 -1.04 0.00 0.00 56.93 54.75 3k40 s PHE 298 Cb -0.05 -0.32 0.10 0.00 -1.21 0.00 0.00 43.02 41.54 3k40 s PHE 298 CO -0.00 -0.57 0.31 -0.80 -1.34 0.00 0.00 175.22 172.81 3k40 s ASN 299 N -3.01 5.65 0.60 1.98 0.01 0.20 -0.48 114.94 119.90 3k40 s ASN 299 Ca 0.20 -1.77 0.29 0.00 -0.71 0.00 0.00 52.86 50.87 3k40 s ASN 299 Cb 0.06 -1.99 1.53 0.00 0.41 0.00 0.00 41.25 41.26 3k40 s ASN 299 CO -0.00 -0.63 1.93 -0.65 -1.51 0.00 0.00 177.10 176.24 3k40 h PRO 300 N 8.41 0.00 -1.89 -0.60 0.11 -1.80 -3.28 132.00 132.96 3k40 h PRO 300 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 3k40 h PRO 300 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3k40 h PRO 300 CO 0.81 0.00 0.00 -2.39 -0.21 0.00 0.00 178.00 176.21 3k40 n HIS 301 N -3.56 0.00 0.00 0.65 1.44 -1.12 -1.36 115.22 111.27 3k40 n HIS 301 Ca 0.05 -0.87 0.00 0.00 -2.01 0.00 0.00 57.72 54.89 3k40 n HIS 301 Cb 0.56 -0.45 0.00 0.00 0.12 0.00 0.00 29.99 30.22 3k40 n HIS 301 CO 0.00 0.00 0.00 1.87 -2.81 0.00 0.00 176.34 175.40 3k40 n TRP 303 N 1.42 0.00 -1.54 -1.40 -0.00 -1.24 -0.94 117.44 113.73 3k40 n TRP 303 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.50 57.56 3k40 n TRP 303 Cb 0.46 0.00 0.20 0.00 -0.00 0.00 0.00 31.31 31.97 3k40 n TRP 303 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 177.69 177.57 3k40 n MET 304 N -0.70 1.53 -1.25 5.87 1.56 -0.46 -4.89 117.12 118.77 3k40 n MET 304 Ca 0.00 -3.20 -0.09 0.00 -0.27 0.00 0.00 57.70 54.14 3k40 n MET 304 Cb 0.00 -1.59 -0.04 0.00 2.15 0.00 0.00 33.22 33.75 3k40 n MET 304 CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 175.97 176.52 3k40 n LEU 305 N -1.14 -0.50 -4.31 -0.89 4.77 -1.14 -4.96 117.00 108.83 3k40 n LEU 305 Ca 0.18 0.22 -0.39 0.00 -0.03 0.00 0.00 56.01 55.99 3k40 n LEU 305 Cb 0.69 -1.75 -0.11 0.00 -2.33 0.00 0.00 43.42 39.92 3k40 n LEU 305 CO -0.03 -0.59 -0.18 -0.69 -1.33 0.00 0.00 177.39 174.57 3k40 s VAL 306 N -2.19 4.19 0.32 4.08 1.01 -1.14 -3.93 120.40 122.74 3k40 s VAL 306 Ca 0.00 -1.10 -0.27 0.00 0.00 0.00 0.00 61.98 60.61 3k40 s VAL 306 Cb 0.00 -3.41 -0.14 0.00 0.00 0.00 0.00 36.38 32.83 3k40 s VAL 306 CO 0.00 -0.29 0.89 0.59 0.00 0.00 0.00 175.10 176.30 3k40 n ASN 307 N 4.91 0.73 -4.55 3.32 4.13 -1.26 -3.38 115.26 119.16 3k40 n ASN 307 Ca -0.11 1.11 -0.40 0.00 1.68 0.00 0.00 54.58 56.86 3k40 n ASN 307 Cb 0.45 -1.24 0.03 0.00 -1.54 0.00 0.00 39.78 37.48 3k40 n ASN 307 CO 0.00 0.00 0.00 2.22 0.28 0.00 0.00 177.26 179.76 3k40 n PHE 308 N -0.07 0.36 -3.95 3.10 1.16 -1.26 -4.35 117.46 112.45 3k40 n PHE 308 Ca 0.11 0.50 -0.35 0.00 -1.87 0.00 0.00 57.45 55.84 3k40 n PHE 308 Cb 0.33 -2.10 -0.06 0.00 -1.61 0.00 0.00 39.48 36.05 3k40 n PHE 308 CO 0.00 0.00 0.00 0.16 -1.87 0.00 0.00 176.76 175.05 3k40 s ASP 309 N -1.02 6.23 -0.32 5.98 3.84 -1.26 -5.14 116.67 124.98 3k40 s ASP 309 Ca 0.68 0.36 0.06 0.00 -0.00 0.00 0.00 52.55 53.66 3k40 s ASP 309 Cb -0.49 -1.96 0.19 0.00 -1.38 0.00 0.00 42.92 39.28 3k40 s ASP 309 CO 0.54 0.33 0.59 0.00 -0.00 0.00 0.00 175.17 176.63 3k40 s SER 311 N 2.57 4.26 -0.24 0.00 0.15 -0.37 -2.78 113.70 117.29 3k40 s SER 311 Ca 0.11 -1.18 -0.17 0.00 0.70 0.00 0.00 55.95 55.42 3k40 s SER 311 Cb -0.09 -1.58 -0.03 0.00 -1.71 0.00 0.00 66.02 62.61 3k40 s SER 311 CO -0.22 -0.16 0.47 0.00 1.20 0.00 0.00 173.24 174.54 3k40 s ALA 312 N 1.19 3.57 -0.08 5.45 0.00 0.37 0.24 121.76 132.50 3k40 s ALA 312 Ca -0.05 -0.60 0.02 0.00 0.00 0.00 0.00 51.96 51.33 3k40 s ALA 312 Cb -0.18 -2.80 0.01 0.00 0.00 0.00 0.00 23.12 20.15 3k40 s ALA 312 CO -0.06 -0.61 -0.14 1.41 0.00 0.00 0.00 175.76 176.36 3k40 s MET 313 N 2.00 1.97 0.10 0.00 0.00 -0.49 -1.88 119.30 121.01 3k40 s MET 313 Ca 0.20 -0.50 0.07 0.00 0.00 0.00 0.00 55.69 55.46 3k40 s MET 313 Cb -0.15 -1.61 -0.04 0.00 0.00 0.00 0.00 34.83 33.03 3k40 s MET 313 CO 0.09 0.03 -0.09 -1.58 0.00 0.00 0.00 175.02 173.47 3k40 s TRP 314 N 0.68 2.76 0.00 4.11 0.51 0.04 -0.75 118.94 126.29 3k40 s TRP 314 Ca -0.14 -0.14 0.00 0.00 -2.12 0.00 0.00 56.10 53.70 3k40 s TRP 314 Cb -0.16 -1.45 -0.00 0.00 -0.81 0.00 0.00 33.47 31.04 3k40 s TRP 314 CO 0.04 0.43 -0.02 -0.51 -0.51 0.00 0.00 176.95 176.38 3k40 s LEU 315 N -2.17 2.05 0.41 2.99 1.02 -0.33 -1.32 118.68 121.33 3k40 s LEU 315 Ca 0.21 -0.12 0.09 0.00 0.02 0.00 0.00 54.13 54.34 3k40 s LEU 315 Cb -0.11 -0.03 0.85 0.00 0.02 0.00 0.00 46.19 46.92 3k40 s LEU 315 CO 0.14 -0.05 1.98 0.11 0.02 0.00 0.00 176.35 178.55 3k40 h LYS 316 N 5.82 0.32 -2.23 1.70 1.57 -1.51 -2.23 116.57 120.01 3k40 h LYS 316 Ca -0.26 -0.05 -0.48 0.00 -1.87 0.00 0.00 60.65 57.99 3k40 h LYS 316 Cb 1.21 -0.06 -0.35 0.00 0.08 0.00 0.00 32.23 33.11 3k40 h LYS 316 CO 0.49 0.34 -0.79 0.34 -0.57 0.00 0.00 179.45 179.26 3k40 s ASP 317 N -6.84 1.86 0.55 0.86 -1.08 -1.26 -2.46 116.67 108.30 3k40 s ASP 317 Ca -0.06 -2.03 0.26 0.00 -0.52 0.00 0.00 52.55 50.20 3k40 s ASP 317 Cb 0.16 0.08 1.43 0.00 -1.46 0.00 0.00 42.92 43.14 3k40 s ASP 317 CO 0.73 -0.26 1.78 -0.65 0.52 0.00 0.00 175.17 177.29 3k40 h PRO 318 N 6.79 0.00 0.00 4.34 0.11 -1.73 -2.76 132.00 138.75 3k40 h PRO 318 Ca 0.08 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.05 3k40 h PRO 318 Cb 1.00 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 3k40 h PRO 318 CO 0.24 0.00 -0.69 0.66 -0.21 0.00 0.00 178.00 178.00 3k40 h SER 319 N 0.00 0.00 -0.13 -2.05 4.64 -1.95 -3.32 113.55 110.74 3k40 h SER 319 Ca 0.00 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.36 3k40 h SER 319 Cb 0.53 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 3k40 h SER 319 CO 0.00 0.69 0.14 -0.50 -0.87 0.00 0.00 176.83 176.29 3k40 h TRP 320 N 0.00 0.00 0.00 4.77 -0.00 -1.87 -3.52 115.95 115.33 3k40 h TRP 320 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.88 3k40 h TRP 320 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.40 3k40 h TRP 320 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 178.44 179.77 3k40 n VAL 321 N -3.87 0.00 0.00 1.49 0.24 -1.25 -4.46 118.33 110.47 3k40 n VAL 321 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3k40 n VAL 321 Cb 0.25 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.62 3k40 n VAL 321 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 3k40 n PRO 349 N 0.00 0.00 -4.43 7.34 -0.02 -1.26 -4.88 135.00 131.75 3k40 n PRO 349 Ca 0.00 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.16 3k40 n PRO 349 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.38 3k40 n PRO 349 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3k40 s LEU 350 N -2.81 3.26 0.00 2.45 1.02 -1.26 -4.61 118.68 116.73 3k40 s LEU 350 Ca 0.00 -0.10 0.00 0.00 0.02 0.00 0.00 54.13 54.05 3k40 s LEU 350 Cb 0.00 -1.85 0.00 0.00 0.02 0.00 0.00 46.19 44.36 3k40 s LEU 350 CO 0.00 0.29 0.00 0.61 0.02 0.00 0.00 176.35 177.27 3k40 n GLY 351 N 1.59 0.80 3.68 -3.19 0.00 -1.26 -4.58 105.19 102.22 3k40 n GLY 351 Ca -0.15 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.39 3k40 n GLY 351 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k40 n ARG 352 N -2.24 2.21 -0.95 1.61 3.00 -1.26 -1.26 116.66 117.77 3k40 n ARG 352 Ca 0.00 0.81 0.00 0.00 -0.01 0.00 0.00 57.85 58.65 3k40 n ARG 352 Cb 0.00 -2.68 0.00 0.00 0.00 0.00 0.00 32.46 29.78 3k40 n ARG 352 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3k40 n ARG 353 N 6.79 -0.43 -4.10 5.56 1.74 -0.84 -3.86 116.66 121.53 3k40 n ARG 353 Ca 0.23 0.11 -0.32 0.00 -0.77 0.00 0.00 57.85 57.10 3k40 n ARG 353 Cb 0.30 -3.47 -0.02 0.00 -1.02 0.00 0.00 32.46 28.25 3k40 n ARG 353 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3k40 n PHE 354 N -2.46 -1.77 0.31 -1.55 -0.00 -0.39 -4.82 117.46 106.77 3k40 n PHE 354 Ca 0.00 0.79 0.17 0.00 -0.00 0.00 0.00 57.45 58.41 3k40 n PHE 354 Cb 0.11 -3.33 0.76 0.00 -0.00 0.00 0.00 39.48 37.01 3k40 n PHE 354 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3k40 h ARG 355 N -1.69 0.00 0.00 -4.13 3.08 -1.82 -2.01 114.38 107.81 3k40 h ARG 355 Ca -0.60 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.43 3k40 h ARG 355 Cb 1.38 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.43 3k40 h ARG 355 CO 0.72 0.00 -0.09 0.00 -1.07 0.00 0.00 179.97 179.52 3k40 h ALA 356 N 2.06 1.14 -0.13 0.04 0.00 -1.89 -3.13 119.26 117.35 3k40 h ALA 356 Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3k40 h ALA 356 Cb 0.30 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3k40 h ALA 356 CO 0.00 0.12 0.05 1.25 0.00 0.00 0.00 179.25 180.67 3k40 h LEU 357 N 0.00 0.18 -0.85 0.00 5.85 -1.74 -0.17 115.31 118.58 3k40 h LEU 357 Ca -0.00 -0.17 -0.10 0.00 0.84 0.00 0.00 57.88 58.45 3k40 h LEU 357 Cb 0.39 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 3k40 h LEU 357 CO 0.01 0.30 -0.20 0.07 -0.34 0.00 0.00 178.44 178.28 3k40 h LYS 358 N 0.05 0.63 -0.34 1.25 2.10 -1.74 -0.92 116.57 117.59 3k40 h LYS 358 Ca 0.04 -0.23 0.00 0.00 -2.00 0.00 0.00 60.65 58.46 3k40 h LYS 358 Cb 0.18 -0.04 -0.02 0.00 -0.90 0.00 0.00 32.23 31.45 3k40 h LYS 358 CO -0.00 0.79 0.22 1.25 -2.00 0.00 0.00 179.45 179.70 3k40 h LEU 359 N 0.56 0.41 -0.66 7.07 5.85 -1.51 -0.71 115.31 126.32 3k40 h LEU 359 Ca 0.09 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.80 3k40 h LEU 359 Cb 0.66 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 3k40 h LEU 359 CO 0.05 0.32 0.40 -0.25 -0.34 0.00 0.00 178.44 178.62 3k40 h TRP 360 N 0.46 0.75 -0.49 1.25 7.01 -0.72 -1.17 115.95 123.03 3k40 h TRP 360 Ca 0.12 0.02 -0.06 0.00 2.11 0.00 0.00 58.89 61.09 3k40 h TRP 360 Cb -0.02 -0.24 -0.02 0.00 -2.10 0.00 0.00 29.16 26.78 3k40 h TRP 360 CO -0.04 0.42 0.07 0.74 -2.79 0.00 0.00 178.44 176.83 3k40 h PHE 361 N 0.78 0.88 0.05 2.65 -1.00 -0.82 -0.82 116.94 118.66 3k40 h PHE 361 Ca 0.27 -0.13 -0.00 0.00 2.81 0.00 0.00 57.97 60.92 3k40 h PHE 361 Cb 0.05 -0.24 0.00 0.00 3.61 0.00 0.00 35.95 39.37 3k40 h PHE 361 CO -0.05 0.81 -0.02 0.28 -1.61 0.00 0.00 178.31 177.71 3k40 h VAL 362 N 0.69 1.17 -0.99 -0.55 2.07 -0.88 0.15 116.25 117.91 3k40 h VAL 362 Ca 0.15 -0.75 0.01 0.00 0.82 0.00 0.00 66.70 66.94 3k40 h VAL 362 Cb 0.41 1.66 -0.05 0.00 -1.52 0.00 0.00 31.29 31.79 3k40 h VAL 362 CO 0.01 0.19 0.66 -0.07 0.02 0.00 0.00 177.57 178.38 3k40 h LEU 363 N -0.40 1.13 -0.21 2.57 3.38 -1.19 0.27 115.31 120.87 3k40 h LEU 363 Ca -0.01 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.79 3k40 h LEU 363 Cb 0.36 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3k40 h LEU 363 CO 0.01 0.81 -0.42 0.03 0.09 0.00 0.00 178.44 178.96 3k40 h ARG 364 N 1.33 0.66 0.00 1.13 3.08 -1.06 -0.70 114.38 118.82 3k40 h ARG 364 Ca 0.37 -0.43 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3k40 h ARG 364 Cb -0.13 0.05 0.00 0.00 0.08 0.00 0.00 29.97 29.97 3k40 h ARG 364 CO -0.09 1.05 -0.79 1.28 -1.07 0.00 0.00 179.97 180.35 3k40 n LEU 365 N -4.21 0.69 -0.08 3.04 4.77 0.03 -3.79 117.00 117.45 3k40 n LEU 365 Ca -0.06 0.18 -0.23 0.00 -0.03 0.00 0.00 56.01 55.87 3k40 n LEU 365 Cb 0.55 -0.14 -0.12 0.00 -2.33 0.00 0.00 43.42 41.38 3k40 n LEU 365 CO 0.46 -0.05 -0.72 -1.22 -1.33 0.00 0.00 177.39 174.54 3k40 n TYR 366 N -2.15 0.93 -0.41 -1.77 4.02 0.06 -5.07 117.16 112.77 3k40 n TYR 366 Ca 0.02 0.34 0.05 0.00 -0.01 0.00 0.00 57.90 58.30 3k40 n TYR 366 Cb 0.45 -1.10 -0.03 0.00 -0.02 0.00 0.00 39.34 38.65 3k40 n TYR 366 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3k40 n GLY 367 N 1.56 -2.81 0.10 2.72 0.00 -0.27 -4.11 105.19 102.38 3k40 n GLY 367 Ca -0.35 -1.34 -0.11 0.00 0.00 0.00 0.00 46.02 44.23 3k40 n GLY 367 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3k40 h VAL 368 N -0.41 1.11 -0.54 1.61 2.07 -1.95 -2.49 116.25 115.64 3k40 h VAL 368 Ca -0.06 -0.29 0.10 0.00 0.82 0.00 0.00 66.70 67.27 3k40 h VAL 368 Cb 0.40 1.00 -0.08 0.00 -1.52 0.00 0.00 31.29 31.08 3k40 h VAL 368 CO 0.02 0.10 0.05 -0.33 0.02 0.00 0.00 177.57 177.43 3k40 h GLU 369 N 0.16 0.17 -0.20 1.57 5.08 -1.98 0.16 114.58 119.54 3k40 h GLU 369 Ca 0.06 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.31 3k40 h GLU 369 Cb 0.08 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3k40 h GLU 369 CO -0.01 0.11 -0.32 -0.91 -1.00 0.00 0.00 179.01 176.88 3k40 h ASN 370 N 0.17 0.40 -0.39 1.42 2.35 -1.68 -0.56 115.58 117.30 3k40 h ASN 370 Ca 0.28 -0.15 -0.15 0.00 -0.55 0.00 0.00 56.30 55.73 3k40 h ASN 370 Cb 0.42 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 3k40 h ASN 370 CO -0.41 0.71 -0.35 -0.07 -1.65 0.00 0.00 177.43 175.65 3k40 h LEU 371 N 0.34 0.99 -0.68 1.61 3.38 -0.87 -1.78 115.31 118.30 3k40 h LEU 371 Ca 0.04 -0.44 -0.08 0.00 0.09 0.00 0.00 57.88 57.50 3k40 h LEU 371 Cb 0.73 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 3k40 h LEU 371 CO 0.06 1.23 0.11 1.56 0.09 0.00 0.00 178.44 181.49 3k40 h GLN 372 N 0.78 1.12 -0.86 1.13 4.20 -0.70 -2.55 115.11 118.23 3k40 h GLN 372 Ca 0.07 -0.30 0.03 0.00 0.06 0.00 0.00 58.65 58.51 3k40 h GLN 372 Cb 0.94 -0.13 -0.05 0.00 0.30 0.00 0.00 27.48 28.54 3k40 h GLN 372 CO 0.09 1.02 0.56 0.00 -0.67 0.00 0.00 178.83 179.84 3k40 h ALA 373 N 1.06 1.46 -0.02 3.87 0.00 -0.95 -1.12 119.26 123.56 3k40 h ALA 373 Ca 0.20 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3k40 h ALA 373 Cb 0.45 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3k40 h ALA 373 CO 0.01 0.46 0.01 1.25 0.00 0.00 0.00 179.25 180.98 3k40 h HIS 374 N 1.07 0.04 -0.40 0.00 -0.00 -0.95 -0.03 115.15 114.88 3k40 h HIS 374 Ca 0.34 -0.00 0.03 0.00 -0.00 0.00 0.00 60.37 60.73 3k40 h HIS 374 Cb 0.02 -0.01 -0.03 0.00 -0.00 0.00 0.00 27.41 27.38 3k40 h HIS 374 CO -0.00 0.22 0.20 0.82 -0.00 0.00 0.00 177.93 179.17 3k40 h ILE 375 N -0.16 0.99 -0.50 6.26 1.08 -1.20 -2.16 117.51 121.82 3k40 h ILE 375 Ca 0.01 -0.14 -0.10 0.00 -0.39 0.00 0.00 64.86 64.24 3k40 h ILE 375 Cb 0.20 0.54 -0.02 0.00 -3.07 0.00 0.00 36.82 34.47 3k40 h ILE 375 CO -0.00 0.08 -0.06 0.03 -0.69 0.00 0.00 178.15 177.50 3k40 h ARG 376 N 0.41 0.92 -0.24 2.37 3.08 -0.99 -1.02 114.38 118.91 3k40 h ARG 376 Ca 0.17 -0.32 0.01 0.00 0.07 0.00 0.00 59.98 59.91 3k40 h ARG 376 Cb 0.07 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 3k40 h ARG 376 CO -0.11 0.98 0.13 0.00 -1.07 0.00 0.00 179.97 179.90 3k40 h ARG 377 N 0.78 0.27 -0.58 0.04 3.08 -0.90 -0.86 114.38 116.20 3k40 h ARG 377 Ca 0.13 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.17 3k40 h ARG 377 Cb 0.60 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.56 3k40 h ARG 377 CO 0.04 0.18 0.37 0.45 -1.07 0.00 0.00 179.97 179.93 3k40 h HIS 378 N 0.27 0.75 -0.69 3.04 3.86 -1.10 0.61 115.15 121.89 3k40 h HIS 378 Ca 0.10 0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.35 3k40 h HIS 378 Cb 0.01 -0.25 -0.05 0.00 1.06 0.00 0.00 27.41 28.18 3k40 h HIS 378 CO -0.08 0.50 0.42 0.00 0.86 0.00 0.00 177.93 179.63 3k40 h ASN 380 N 0.81 1.00 -0.62 0.00 2.35 -0.76 -1.75 115.58 116.62 3k40 h ASN 380 Ca 0.29 -0.36 0.04 0.00 -0.55 0.00 0.00 56.30 55.71 3k40 h ASN 380 Cb 0.07 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.12 3k40 h ASN 380 CO -0.13 1.15 0.36 -0.26 -1.65 0.00 0.00 177.43 176.90 3k40 h PHE 381 N 0.86 0.67 -0.54 1.19 0.04 -0.66 0.02 116.94 118.52 3k40 h PHE 381 Ca 0.12 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.88 3k40 h PHE 381 Cb 0.75 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.67 3k40 h PHE 381 CO 0.05 0.36 0.24 0.00 -0.60 0.00 0.00 178.31 178.35 3k40 h ALA 382 N 1.29 0.70 -0.77 2.45 0.00 -1.01 -0.97 119.26 120.94 3k40 h ALA 382 Ca 0.26 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3k40 h ALA 382 Cb 0.08 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 3k40 h ALA 382 CO -0.13 0.29 0.51 -0.22 0.00 0.00 0.00 179.25 179.70 3k40 h LYS 383 N 0.73 1.00 -0.29 0.00 1.63 -1.07 0.13 116.57 118.70 3k40 h LYS 383 Ca 0.18 -0.06 0.01 0.00 -0.85 0.00 0.00 60.65 59.93 3k40 h LYS 383 Cb 0.17 -0.22 -0.02 0.00 -0.60 0.00 0.00 32.23 31.55 3k40 h LYS 383 CO -0.02 0.66 0.18 0.37 -3.45 0.00 0.00 179.45 177.19 3k40 h GLN 384 N 1.03 0.35 -0.57 1.90 4.15 -0.51 0.52 115.11 121.99 3k40 h GLN 384 Ca 0.29 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.66 3k40 h GLN 384 Cb -0.09 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.50 3k40 h GLN 384 CO -0.07 0.23 0.23 0.35 -1.93 0.00 0.00 178.83 177.63 3k40 h PHE 385 N 0.36 0.87 -0.91 3.99 3.57 -0.94 -1.92 116.94 121.95 3k40 h PHE 385 Ca 0.11 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 3k40 h PHE 385 Cb -0.02 -0.26 -0.04 0.00 2.79 0.00 0.00 35.95 38.41 3k40 h PHE 385 CO -0.07 0.70 0.57 0.78 -2.23 0.00 0.00 178.31 178.06 3k40 h GLY 386 N 0.78 1.31 1.07 2.40 0.00 -0.28 -0.77 103.07 107.57 3k40 h GLY 386 Ca 0.19 -0.52 -0.07 0.00 0.00 0.00 0.00 47.33 46.93 3k40 h GLY 386 CO -0.02 0.51 0.19 -0.55 0.00 0.00 0.00 176.54 176.68 3k40 h ASP 387 N 1.25 1.09 -0.58 0.19 3.32 -0.72 -0.76 116.42 120.20 3k40 h ASP 387 Ca 0.33 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 3k40 h ASP 387 Cb -0.09 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.15 3k40 h ASP 387 CO -0.07 1.03 0.32 -0.07 -1.72 0.00 0.00 179.24 178.73 3k40 h LEU 388 N 1.09 0.73 0.25 1.55 3.38 -0.90 -2.30 115.31 119.11 3k40 h LEU 388 Ca 0.23 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3k40 h LEU 388 Cb 0.36 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3k40 h LEU 388 CO -0.00 0.61 -0.12 0.00 0.09 0.00 0.00 178.44 179.02 3k40 h VAL 390 N -0.49 0.21 0.00 0.00 -1.51 -1.14 -1.41 116.25 111.92 3k40 h VAL 390 Ca -0.03 -0.66 -0.01 0.00 -1.23 0.00 0.00 66.70 64.77 3k40 h VAL 390 Cb 0.37 1.54 -0.00 0.00 -2.13 0.00 0.00 31.29 31.07 3k40 h VAL 390 CO 0.06 0.07 -0.05 0.00 -1.23 0.00 0.00 177.57 176.42 3k40 h ALA 391 N 1.93 1.15 -2.01 5.19 0.00 -1.30 -3.38 119.26 120.85 3k40 h ALA 391 Ca -0.00 -0.05 -0.65 0.00 0.00 0.00 0.00 54.91 54.21 3k40 h ALA 391 Cb 0.54 -0.01 -0.15 0.00 0.00 0.00 0.00 17.79 18.17 3k40 h ALA 391 CO 0.01 0.07 0.27 0.34 0.00 0.00 0.00 179.25 179.94 3k40 s ASP 392 N -5.77 6.30 0.08 0.00 -1.08 -0.53 -4.94 116.67 110.72 3k40 s ASP 392 Ca -0.03 -0.54 0.07 0.00 -0.52 0.00 0.00 52.55 51.53 3k40 s ASP 392 Cb 0.12 -2.36 0.34 0.00 -1.46 0.00 0.00 42.92 39.57 3k40 s ASP 392 CO 0.52 -0.99 1.21 -1.54 0.52 0.00 0.00 175.17 174.89 3k40 n SER 393 N 6.69 0.14 0.25 -0.34 3.41 -1.26 -1.26 113.62 121.25 3k40 n SER 393 Ca -0.02 0.56 0.15 0.00 -0.26 0.00 0.00 58.87 59.30 3k40 n SER 393 Cb 0.47 -0.58 0.46 0.00 -0.26 0.00 0.00 64.21 64.30 3k40 n SER 393 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3k40 h ARG 394 N 0.00 0.00 -6.14 4.33 3.08 -1.92 -3.47 114.38 110.27 3k40 h ARG 394 Ca 0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.50 3k40 h ARG 394 Cb 0.04 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.01 3k40 h ARG 394 CO 0.00 0.01 -0.57 -0.06 -1.07 0.00 0.00 179.97 178.27 3k40 s PHE 395 N -3.47 2.74 0.00 3.04 0.40 -0.39 -1.03 117.98 119.27 3k40 s PHE 395 Ca 0.04 -0.31 -0.06 0.00 -0.60 0.00 0.00 56.93 55.99 3k40 s PHE 395 Cb 0.07 -1.48 -0.00 0.00 0.51 0.00 0.00 43.02 42.12 3k40 s PHE 395 CO 0.60 0.44 0.12 -1.83 0.70 0.00 0.00 175.22 175.25 3k40 s GLU 396 N -3.79 0.46 0.42 0.44 -1.05 0.09 -4.77 118.70 110.50 3k40 s GLU 396 Ca 0.35 -0.42 -0.25 0.00 -0.15 0.00 0.00 54.97 54.50 3k40 s GLU 396 Cb -0.04 0.19 -0.08 0.00 -0.44 0.00 0.00 34.13 33.76 3k40 s GLU 396 CO 0.22 -0.11 1.25 -0.51 0.95 0.00 0.00 175.26 177.06 3k40 s LEU 397 N -1.38 4.14 0.00 1.83 1.43 -1.26 -1.17 118.68 122.27 3k40 s LEU 397 Ca -0.15 2.53 0.22 0.00 -1.03 0.00 0.00 54.13 55.70 3k40 s LEU 397 Cb -0.08 -4.02 -0.01 0.00 0.03 0.00 0.00 46.19 42.11 3k40 s LEU 397 CO 0.01 -0.88 1.05 0.00 0.23 0.00 0.00 176.35 176.76 3k40 n ALA 398 N -0.08 4.39 -3.41 4.21 0.00 0.78 -4.85 120.51 121.55 3k40 n ALA 398 Ca 0.05 -0.53 -0.12 0.00 0.00 0.00 0.00 53.44 52.84 3k40 n ALA 398 Cb 0.45 -0.87 -0.02 0.00 0.00 0.00 0.00 19.45 19.01 3k40 n ALA 398 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k40 s ALA 399 N -2.98 -1.59 0.53 0.00 0.00 -1.23 -4.98 121.76 111.51 3k40 s ALA 399 Ca 0.09 0.51 -0.22 0.00 0.00 0.00 0.00 51.96 52.34 3k40 s ALA 399 Cb 0.17 0.85 -0.05 0.00 0.00 0.00 0.00 23.12 24.08 3k40 s ALA 399 CO 0.81 -0.75 1.30 -1.83 0.00 0.00 0.00 175.76 175.29 3k40 s GLU 400 N -3.65 3.29 0.01 0.00 -1.05 -1.26 -4.65 118.70 111.39 3k40 s GLU 400 Ca 0.01 2.10 -0.30 0.00 -0.15 0.00 0.00 54.97 56.62 3k40 s GLU 400 Cb -0.01 -2.28 -0.05 0.00 -0.44 0.00 0.00 34.13 31.35 3k40 s GLU 400 CO -0.12 -1.03 1.31 0.42 0.95 0.00 0.00 175.26 176.79 3k40 s ILE 401 N -1.38 3.87 -0.02 1.83 1.01 -1.26 -4.87 121.20 120.39 3k40 s ILE 401 Ca 0.70 1.27 0.01 0.00 0.00 0.00 0.00 60.65 62.63 3k40 s ILE 401 Cb -0.37 -3.82 0.01 0.00 0.01 0.00 0.00 42.46 38.29 3k40 s ILE 401 CO 0.44 0.03 -0.04 0.20 0.00 0.00 0.00 174.94 175.56 3k40 s ASN 402 N 1.55 0.67 1.43 3.58 0.01 -1.22 -5.06 114.94 115.88 3k40 s ASN 402 Ca 0.61 -0.09 0.00 0.00 -0.71 0.00 0.00 52.86 52.66 3k40 s ASN 402 Cb -0.30 -0.19 0.00 0.00 0.41 0.00 0.00 41.25 41.18 3k40 s ASN 402 CO 0.26 0.01 0.00 0.23 -1.51 0.00 0.00 177.10 176.09 3k40 n MET 403 N 3.40 0.00 -0.79 -0.60 2.81 -1.26 -1.96 117.12 118.72 3k40 n MET 403 Ca -0.18 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.70 3k40 n MET 403 Cb 0.55 0.00 0.28 0.00 -0.71 0.00 0.00 33.22 33.34 3k40 n MET 403 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3k40 n GLY 404 N 0.00 3.03 3.11 3.03 0.00 -1.26 -4.41 105.19 108.69 3k40 n GLY 404 Ca 0.00 -0.77 -0.28 0.00 0.00 0.00 0.00 46.02 44.97 3k40 n GLY 404 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3k40 s LEU 405 N -2.31 1.85 -0.13 0.99 2.96 -0.83 -0.92 118.68 120.29 3k40 s LEU 405 Ca 0.44 -0.42 0.02 0.00 -0.22 0.00 0.00 54.13 53.96 3k40 s LEU 405 Cb 0.35 -1.09 0.01 0.00 0.50 0.00 0.00 46.19 45.96 3k40 s LEU 405 CO 0.12 0.09 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.34 3k40 s VAL 406 N 0.50 1.95 -0.22 1.68 1.01 0.15 -3.46 120.40 122.01 3k40 s VAL 406 Ca -0.16 -0.91 -0.06 0.00 0.00 0.00 0.00 61.98 60.85 3k40 s VAL 406 Cb -0.17 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 3k40 s VAL 406 CO 0.06 0.53 0.03 0.00 0.00 0.00 0.00 175.10 175.71 3k40 s PHE 408 N 1.22 0.13 0.11 0.00 -0.71 -0.35 -0.16 117.98 118.21 3k40 s PHE 408 Ca 0.04 -0.49 -0.25 0.00 -1.04 0.00 0.00 56.93 55.19 3k40 s PHE 408 Cb -0.15 0.11 0.07 0.00 -1.21 0.00 0.00 43.02 41.85 3k40 s PHE 408 CO 0.02 -0.74 0.61 -0.98 -1.34 0.00 0.00 175.22 172.79 3k40 s ARG 409 N -3.90 1.22 0.29 1.99 1.70 -0.31 -0.28 118.95 119.66 3k40 s ARG 409 Ca 0.11 -0.30 -0.30 0.00 -0.47 0.00 0.00 55.73 54.78 3k40 s ARG 409 Cb 0.02 0.56 -0.11 0.00 -0.57 0.00 0.00 34.95 34.86 3k40 s ARG 409 CO -0.04 -0.50 1.52 -0.51 -1.08 0.00 0.00 175.30 174.69 3k40 s LEU 410 N -2.36 4.36 0.41 -1.89 1.43 -1.26 -0.73 118.68 118.63 3k40 s LEU 410 Ca -0.02 2.87 -0.25 0.00 -1.03 0.00 0.00 54.13 55.70 3k40 s LEU 410 Cb -0.01 -3.64 -0.10 0.00 0.03 0.00 0.00 46.19 42.47 3k40 s LEU 410 CO -0.07 -0.83 1.14 0.29 0.23 0.00 0.00 176.35 177.10 3k40 n LYS 411 N 1.90 1.63 0.00 1.70 5.02 -0.20 -4.67 118.16 123.53 3k40 n LYS 411 Ca 0.06 0.58 0.00 0.00 -2.02 0.00 0.00 58.31 56.93 3k40 n LYS 411 Cb 0.39 -2.20 0.00 0.00 -0.02 0.00 0.00 35.03 33.20 3k40 n LYS 411 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3k40 n GLY 412 N 1.01 0.54 3.79 0.72 0.00 -1.26 -5.01 105.19 104.98 3k40 n GLY 412 Ca 0.08 -1.75 -0.33 0.00 0.00 0.00 0.00 46.02 44.02 3k40 n GLY 412 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k40 s SER 413 N -4.00 5.43 0.23 1.61 1.04 -1.26 -4.96 113.70 111.79 3k40 s SER 413 Ca 0.00 1.88 -0.06 0.00 0.48 0.00 0.00 55.95 58.25 3k40 s SER 413 Cb 0.00 -2.54 0.22 0.00 0.10 0.00 0.00 66.02 63.80 3k40 s SER 413 CO 0.00 -1.41 1.80 0.78 0.98 0.00 0.00 173.24 175.39 3k40 h ASN 414 N 0.14 1.05 -0.66 7.02 2.35 -1.91 -3.18 115.58 120.38 3k40 h ASN 414 Ca -0.46 -0.16 -0.07 0.00 -0.55 0.00 0.00 56.30 55.06 3k40 h ASN 414 Cb 1.23 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 39.30 3k40 h ASN 414 CO 0.56 0.93 0.15 1.05 -1.65 0.00 0.00 177.43 178.46 3k40 h GLU 415 N 1.11 1.08 -0.10 0.81 9.09 -1.97 0.14 114.58 124.74 3k40 h GLU 415 Ca 0.26 -0.26 -0.03 0.00 0.05 0.00 0.00 59.36 59.37 3k40 h GLU 415 Cb 0.21 -0.14 -0.01 0.00 -1.65 0.00 0.00 28.75 27.16 3k40 h GLU 415 CO -0.02 0.97 -0.09 0.07 0.05 0.00 0.00 179.01 179.99 3k40 h ARG 416 N 1.03 0.15 -0.05 1.06 0.11 -1.96 -0.50 114.38 114.22 3k40 h ARG 416 Ca 0.21 -0.03 -0.23 0.00 0.10 0.00 0.00 59.98 60.04 3k40 h ARG 416 Cb 0.38 -0.02 0.02 0.00 1.11 0.00 0.00 29.97 31.45 3k40 h ARG 416 CO 0.00 0.25 -0.85 -0.91 0.10 0.00 0.00 179.97 178.56 3k40 h ASN 417 N 0.15 0.83 -0.88 0.08 2.35 -1.24 -1.18 115.58 115.69 3k40 h ASN 417 Ca 0.03 -0.70 0.09 0.00 -0.55 0.00 0.00 56.30 55.17 3k40 h ASN 417 Cb 0.25 -0.25 -0.07 0.00 0.05 0.00 0.00 38.32 38.30 3k40 h ASN 417 CO 0.01 1.42 0.53 -0.33 -1.65 0.00 0.00 177.43 177.41 3k40 h GLU 418 N 0.33 0.87 -0.45 0.81 5.08 -0.42 -0.52 114.58 120.28 3k40 h GLU 418 Ca -0.09 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 3k40 h GLU 418 Cb 1.51 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.54 3k40 h GLU 418 CO 0.17 0.58 0.20 0.00 -1.00 0.00 0.00 179.01 178.95 3k40 h ALA 419 N 1.46 0.58 -0.43 3.43 0.00 -0.99 -2.15 119.26 121.17 3k40 h ALA 419 Ca 0.41 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 3k40 h ALA 419 Cb 0.33 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3k40 h ALA 419 CO -0.23 0.17 0.19 1.25 0.00 0.00 0.00 179.25 180.64 3k40 h LEU 420 N 0.59 0.58 -0.30 0.00 5.85 -0.47 -0.48 115.31 121.08 3k40 h LEU 420 Ca 0.15 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 3k40 h LEU 420 Cb 0.16 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 3k40 h LEU 420 CO -0.02 0.56 0.12 0.25 -0.34 0.00 0.00 178.44 179.01 3k40 h LEU 421 N 0.55 0.41 -0.55 2.25 5.85 -1.01 0.41 115.31 123.23 3k40 h LEU 421 Ca 0.15 -0.17 0.08 0.00 0.84 0.00 0.00 57.88 58.78 3k40 h LEU 421 Cb 0.15 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.00 3k40 h LEU 421 CO -0.02 0.47 0.20 0.11 -0.34 0.00 0.00 178.44 178.86 3k40 h LYS 422 N 0.33 0.37 -0.27 1.25 1.57 -1.22 -0.38 116.57 118.23 3k40 h LYS 422 Ca 0.10 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 3k40 h LYS 422 Cb 0.19 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3k40 h LYS 422 CO -0.01 0.24 0.05 0.00 -0.57 0.00 0.00 179.45 179.16 3k40 h ARG 423 N 0.38 0.44 -0.12 3.15 3.08 -0.67 -0.78 114.38 119.85 3k40 h ARG 423 Ca 0.27 -0.11 0.02 0.00 0.07 0.00 0.00 59.98 60.23 3k40 h ARG 423 Cb 0.31 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 3k40 h ARG 423 CO -0.28 0.55 -0.03 0.82 -1.07 0.00 0.00 179.97 179.96 3k40 h ILE 424 N 0.25 0.87 -0.12 2.04 2.04 -0.64 -1.43 117.51 120.52 3k40 h ILE 424 Ca 0.08 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.83 3k40 h ILE 424 Cb 0.32 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 3k40 h ILE 424 CO 0.00 0.00 -0.40 0.78 0.00 0.00 0.00 178.15 178.53 3k40 h ASN 425 N -0.00 0.27 0.52 1.72 2.35 -0.93 -2.46 115.58 117.04 3k40 h ASN 425 Ca 0.06 -0.11 -0.04 0.00 -0.55 0.00 0.00 56.30 55.65 3k40 h ASN 425 Cb 0.09 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 3k40 h ASN 425 CO -0.13 0.65 -0.21 1.23 -1.65 0.00 0.00 177.43 177.32 3k40 h GLY 426 N 1.20 0.00 2.00 2.83 0.00 -0.78 -2.86 103.07 105.46 3k40 h GLY 426 Ca 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.30 3k40 h GLY 426 CO 0.06 0.00 -0.22 3.21 0.00 0.00 0.00 176.54 179.59 3k40 h ARG 427 N 0.00 0.00 -0.61 4.80 3.08 -0.77 -3.48 114.38 117.41 3k40 h ARG 427 Ca -0.00 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.88 3k40 h ARG 427 Cb 0.53 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.53 3k40 h ARG 427 CO 0.03 0.22 -0.17 0.41 -1.07 0.00 0.00 179.97 179.39 3k40 n GLY 428 N 0.42 0.75 0.13 0.04 0.00 -1.08 -4.90 105.19 100.55 3k40 n GLY 428 Ca 0.01 -0.63 -0.17 0.00 0.00 0.00 0.00 46.02 45.22 3k40 n GLY 428 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3k40 n HIS 429 N -3.10 0.39 -4.32 1.61 8.25 -1.26 -4.38 115.22 112.40 3k40 n HIS 429 Ca -0.09 0.09 -0.17 0.00 -0.26 0.00 0.00 57.72 57.29 3k40 n HIS 429 Cb 0.35 -1.05 -0.10 0.00 1.12 0.00 0.00 29.99 30.31 3k40 n HIS 429 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 3k40 s ILE 430 N -2.53 0.40 -0.06 1.59 -4.36 -1.26 -4.86 121.20 110.12 3k40 s ILE 430 Ca -0.27 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.15 3k40 s ILE 430 Cb 0.08 -2.56 0.01 0.00 1.25 0.00 0.00 42.46 41.23 3k40 s ILE 430 CO 0.68 0.00 -0.14 -2.28 0.24 0.00 0.00 174.94 173.44 3k40 s HIS 431 N -3.72 1.57 0.31 1.37 5.65 -0.33 -4.55 115.29 115.60 3k40 s HIS 431 Ca 0.37 -0.53 0.06 0.00 0.25 0.00 0.00 55.06 55.21 3k40 s HIS 431 Cb 0.06 -1.11 -0.06 0.00 -1.18 0.00 0.00 32.58 30.30 3k40 s HIS 431 CO 0.15 -0.23 -0.02 -0.51 -0.65 0.00 0.00 174.74 173.48 3k40 s LEU 432 N 0.39 2.46 0.05 8.88 1.43 -1.26 -0.90 118.68 129.74 3k40 s LEU 432 Ca -0.10 -1.26 0.05 0.00 -1.03 0.00 0.00 54.13 51.79 3k40 s LEU 432 Cb -0.14 -0.62 -0.02 0.00 0.03 0.00 0.00 46.19 45.44 3k40 s LEU 432 CO 0.03 -0.41 -0.15 0.68 0.23 0.00 0.00 176.35 176.73 3k40 s VAL 433 N -3.03 1.19 0.44 -1.59 -7.23 -1.21 -4.96 120.40 104.00 3k40 s VAL 433 Ca 0.32 -1.11 -0.02 0.00 -1.81 0.00 0.00 61.98 59.36 3k40 s VAL 433 Cb 0.06 -1.09 -0.03 0.00 0.56 0.00 0.00 36.38 35.88 3k40 s VAL 433 CO 0.14 -0.03 0.69 -2.16 -0.31 0.00 0.00 175.10 173.43 3k40 s PRO 434 N -1.31 3.41 0.28 4.82 0.04 -1.26 -0.28 135.00 140.70 3k40 s PRO 434 Ca 0.02 -0.11 -0.02 0.00 0.04 0.00 0.00 61.00 60.93 3k40 s PRO 434 Cb -0.08 -2.50 -0.02 0.00 0.04 0.00 0.00 34.50 31.94 3k40 s PRO 434 CO 0.02 -0.12 0.33 0.00 0.04 0.00 0.00 177.00 177.27 3k40 s ALA 435 N -2.58 0.90 -0.12 8.56 0.00 -0.37 -4.86 121.76 123.29 3k40 s ALA 435 Ca 0.45 -1.55 -0.07 0.00 0.00 0.00 0.00 51.96 50.79 3k40 s ALA 435 Cb -0.10 1.27 0.04 0.00 0.00 0.00 0.00 23.12 24.34 3k40 s ALA 435 CO 0.41 -0.72 0.29 0.21 0.00 0.00 0.00 175.76 175.95 3k40 s LYS 436 N -3.66 0.28 -0.13 0.00 2.20 -1.26 -0.94 119.74 116.22 3k40 s LYS 436 Ca 0.33 0.54 0.00 0.00 -0.36 0.00 0.00 55.97 56.49 3k40 s LYS 436 Cb 0.02 -0.03 0.02 0.00 -1.51 0.00 0.00 37.83 36.34 3k40 s LYS 436 CO 0.17 -0.13 -0.13 0.42 -0.36 0.00 0.00 175.35 175.32 3k40 s ILE 437 N 0.98 1.43 -0.63 5.43 1.01 -0.74 -4.92 121.20 123.75 3k40 s ILE 437 Ca -0.07 -0.55 -0.01 0.00 0.00 0.00 0.00 60.65 60.02 3k40 s ILE 437 Cb -0.08 -1.35 0.00 0.00 0.01 0.00 0.00 42.46 41.04 3k40 s ILE 437 CO -0.07 0.43 0.46 0.29 0.00 0.00 0.00 174.94 176.06 3k40 n LYS 438 N 4.69 -1.20 -0.74 2.79 5.02 -1.26 -1.38 118.16 126.08 3k40 n LYS 438 Ca -0.16 0.58 0.00 0.00 -2.02 0.00 0.00 58.31 56.71 3k40 n LYS 438 Cb 0.50 -1.70 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 3k40 n LYS 438 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3k40 n ASP 439 N -1.89 -0.03 -4.37 4.39 2.03 -1.26 -4.96 116.55 110.47 3k40 n ASP 439 Ca -0.25 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.65 3k40 n ASP 439 Cb 0.54 -1.33 -0.10 0.00 -0.72 0.00 0.00 41.12 39.51 3k40 n ASP 439 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3k40 s VAL 440 N -2.40 4.71 0.05 5.18 1.01 -0.48 -4.93 120.40 123.54 3k40 s VAL 440 Ca 0.00 -0.96 -0.21 0.00 0.00 0.00 0.00 61.98 60.81 3k40 s VAL 440 Cb 0.00 -3.70 -0.06 0.00 0.00 0.00 0.00 36.38 32.62 3k40 s VAL 440 CO 0.00 -0.35 0.62 -0.47 0.00 0.00 0.00 175.10 174.90 3k40 s TYR 441 N 1.56 3.76 0.23 5.22 5.04 -1.26 -1.80 117.35 130.11 3k40 s TYR 441 Ca 0.03 1.29 -0.09 0.00 -2.44 0.00 0.00 57.07 55.87 3k40 s TYR 441 Cb -0.21 -2.59 -0.02 0.00 0.35 0.00 0.00 41.96 39.49 3k40 s TYR 441 CO 0.06 0.46 0.36 -0.59 -1.34 0.00 0.00 175.55 174.50 3k40 s PHE 442 N -0.65 0.65 0.08 4.97 -0.12 -0.12 -4.87 117.98 117.92 3k40 s PHE 442 Ca 0.31 -0.96 0.02 0.00 -0.05 0.00 0.00 56.93 56.25 3k40 s PHE 442 Cb -0.19 -0.07 -0.04 0.00 -0.63 0.00 0.00 43.02 42.09 3k40 s PHE 442 CO 0.19 -0.88 0.15 -0.51 -0.05 0.00 0.00 175.22 174.12 3k40 s LEU 443 N -3.07 4.06 -0.07 -1.99 1.02 0.62 -1.24 118.68 118.01 3k40 s LEU 443 Ca 0.28 0.11 0.05 0.00 0.02 0.00 0.00 54.13 54.60 3k40 s LEU 443 Cb 0.02 -2.70 -0.01 0.00 0.02 0.00 0.00 46.19 43.52 3k40 s LEU 443 CO 0.10 0.16 -0.24 -0.13 0.02 0.00 0.00 176.35 176.26 3k40 s ARG 444 N -2.53 2.59 -0.33 1.70 0.52 0.62 -1.21 118.95 120.31 3k40 s ARG 444 Ca 0.32 -0.87 -0.01 0.00 -0.52 0.00 0.00 55.73 54.66 3k40 s ARG 444 Cb -0.12 -2.13 0.07 0.00 0.52 0.00 0.00 34.95 33.29 3k40 s ARG 444 CO 0.25 0.32 0.04 1.41 0.02 0.00 0.00 175.30 177.34 3k40 s MET 445 N -0.02 2.17 -0.11 3.54 1.75 0.00 -3.35 119.30 123.28 3k40 s MET 445 Ca -0.07 -1.49 -0.04 0.00 -1.25 0.00 0.00 55.69 52.83 3k40 s MET 445 Cb -0.15 -3.24 -0.04 0.00 2.84 0.00 0.00 34.83 34.24 3k40 s MET 445 CO 0.05 -0.77 0.07 0.00 -0.65 0.00 0.00 175.02 173.72 3k40 s ALA 446 N 1.16 3.57 -0.28 4.11 0.00 -1.26 -0.67 121.76 128.38 3k40 s ALA 446 Ca -0.00 -0.72 -0.29 0.00 0.00 0.00 0.00 51.96 50.94 3k40 s ALA 446 Cb -0.20 -1.73 0.01 0.00 0.00 0.00 0.00 23.12 21.19 3k40 s ALA 446 CO -0.03 0.59 1.19 0.42 0.00 0.00 0.00 175.76 177.92 3k40 s ILE 447 N -0.91 4.34 -0.04 0.00 -1.09 -0.10 -4.58 121.20 118.82 3k40 s ILE 447 Ca 0.14 1.55 -0.07 0.00 -2.23 0.00 0.00 60.65 60.04 3k40 s ILE 447 Cb -0.12 -4.25 -0.03 0.00 -1.58 0.00 0.00 42.46 36.48 3k40 s ILE 447 CO 0.03 -0.41 -0.15 0.00 -1.23 0.00 0.00 174.94 173.18 3k40 s SER 449 N -5.98 6.67 0.04 0.00 0.15 -1.26 -4.63 113.70 108.69 3k40 s SER 449 Ca -0.13 2.61 0.12 0.00 0.70 0.00 0.00 55.95 59.25 3k40 s SER 449 Cb 0.03 -2.61 0.52 0.00 -1.71 0.00 0.00 66.02 62.24 3k40 s SER 449 CO 0.18 -0.72 1.37 -2.11 1.20 0.00 0.00 173.24 173.17 3k40 n ARG 450 N 2.88 0.03 -0.06 5.44 1.85 -1.26 -2.37 116.66 123.17 3k40 n ARG 450 Ca 0.09 0.35 0.11 0.00 -1.00 0.00 0.00 57.85 57.40 3k40 n ARG 450 Cb 0.40 -1.56 0.42 0.00 -1.05 0.00 0.00 32.46 30.67 3k40 n ARG 450 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3k40 n PHE 451 N -1.61 0.16 -1.98 2.89 3.72 -1.26 -4.96 117.46 114.41 3k40 n PHE 451 Ca 0.02 -0.08 -0.41 0.00 -0.05 0.00 0.00 57.45 56.94 3k40 n PHE 451 Cb 0.12 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.65 3k40 n PHE 451 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3k40 s THR 452 N -1.84 2.42 0.25 4.37 2.01 -1.00 -4.92 115.64 116.93 3k40 s THR 452 Ca 0.33 0.42 0.05 0.00 0.31 0.00 0.00 61.69 62.80 3k40 s THR 452 Cb 0.18 -3.26 -0.05 0.00 0.01 0.00 0.00 72.50 69.37 3k40 s THR 452 CO 0.28 0.10 -0.03 -1.10 -0.69 0.00 0.00 174.62 173.17 3k40 s GLN 453 N -1.98 1.43 0.44 4.92 -0.21 -1.26 -5.05 119.66 117.95 3k40 s GLN 453 Ca 0.52 -1.72 0.11 0.00 0.02 0.00 0.00 55.36 54.28 3k40 s GLN 453 Cb -0.42 -0.85 0.98 0.00 1.00 0.00 0.00 33.01 33.72 3k40 s GLN 453 CO 0.57 -0.04 2.06 0.66 -2.12 0.00 0.00 175.29 176.42 3k40 h SER 454 N 2.39 0.26 0.60 5.90 4.64 -1.97 -0.91 113.55 124.45 3k40 h SER 454 Ca -0.39 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 60.91 3k40 h SER 454 Cb 1.23 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3k40 h SER 454 CO 0.66 0.24 -0.02 -0.33 -0.87 0.00 0.00 176.83 176.51 3k40 h GLU 455 N 0.30 0.00 -0.23 4.77 4.39 -2.00 -0.72 114.58 121.10 3k40 h GLU 455 Ca 0.08 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.71 3k40 h GLU 455 Cb 0.05 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 3k40 h GLU 455 CO -0.01 0.02 -0.14 -0.44 -1.16 0.00 0.00 179.01 177.28 3k40 h ASP 456 N 0.00 0.36 -0.40 1.42 3.32 -1.56 -0.16 116.42 119.40 3k40 h ASP 456 Ca -0.00 -0.09 -0.05 0.00 0.02 0.00 0.00 57.03 56.91 3k40 h ASP 456 Cb 0.32 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 3k40 h ASP 456 CO 0.00 0.53 0.04 0.24 -1.72 0.00 0.00 179.24 178.34 3k40 h MET 457 N 0.35 0.68 -0.49 3.56 2.86 -1.22 0.13 114.93 120.79 3k40 h MET 457 Ca 0.07 -0.19 0.01 0.00 -2.06 0.00 0.00 59.70 57.52 3k40 h MET 457 Cb 0.46 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.02 3k40 h MET 457 CO 0.03 0.74 0.32 0.93 1.06 0.00 0.00 176.91 179.98 3k40 h GLU 458 N 0.52 0.63 0.02 1.72 4.39 -1.42 -0.24 114.58 120.19 3k40 h GLU 458 Ca 0.12 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 3k40 h GLU 458 Cb 0.40 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 3k40 h GLU 458 CO 0.01 0.41 -0.01 -0.92 -1.16 0.00 0.00 179.01 177.35 3k40 h TYR 459 N 0.64 -0.02 -0.64 4.33 5.03 -0.87 -0.27 116.97 125.18 3k40 h TYR 459 Ca 0.18 -0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.50 3k40 h TYR 459 Cb -0.06 0.01 -0.03 0.00 1.55 0.00 0.00 36.73 38.19 3k40 h TYR 459 CO -0.05 0.22 0.42 0.77 -1.32 0.00 0.00 178.16 178.20 3k40 h SER 460 N -0.26 0.71 -0.28 -2.11 0.02 -0.68 -1.40 113.55 109.55 3k40 h SER 460 Ca -0.00 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 3k40 h SER 460 Cb 0.25 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 3k40 h SER 460 CO 0.00 0.51 0.11 -0.25 -1.14 0.00 0.00 176.83 176.07 3k40 h TRP 461 N 0.84 0.42 -0.35 3.45 2.91 -0.86 -1.86 115.95 120.51 3k40 h TRP 461 Ca 0.24 -0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.22 3k40 h TRP 461 Cb -0.07 -0.13 -0.02 0.00 -0.51 0.00 0.00 29.16 28.44 3k40 h TRP 461 CO -0.03 0.42 0.16 0.87 -1.03 0.00 0.00 178.44 178.82 3k40 h LYS 462 N 0.30 0.49 -0.19 2.65 1.57 -0.84 0.27 116.57 120.83 3k40 h LYS 462 Ca 0.09 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.74 3k40 h LYS 462 Cb 0.17 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 3k40 h LYS 462 CO -0.01 0.40 -0.19 1.49 -0.57 0.00 0.00 179.45 180.57 3k40 h GLU 463 N 0.49 0.46 -0.46 3.15 4.57 -0.96 0.01 114.58 121.85 3k40 h GLU 463 Ca 0.12 -0.24 0.06 0.00 -1.18 0.00 0.00 59.36 58.12 3k40 h GLU 463 Cb 0.08 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.62 3k40 h GLU 463 CO -0.02 0.81 0.15 0.28 -1.18 0.00 0.00 179.01 179.06 3k40 h VAL 464 N 0.13 0.83 -0.44 0.32 2.07 -0.71 -0.90 116.25 117.55 3k40 h VAL 464 Ca 0.03 -0.11 -0.12 0.00 0.82 0.00 0.00 66.70 67.32 3k40 h VAL 464 Cb 0.73 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 3k40 h VAL 464 CO 0.05 0.06 -0.22 -1.28 0.02 0.00 0.00 177.57 176.19 3k40 h SER 465 N 0.31 0.91 -0.51 0.57 0.87 -0.84 -1.34 113.55 113.51 3k40 h SER 465 Ca 0.22 -0.34 -0.10 0.00 -1.23 0.00 0.00 61.79 60.34 3k40 h SER 465 Cb 0.23 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 3k40 h SER 465 CO -0.24 1.09 -0.09 0.00 -0.53 0.00 0.00 176.83 177.07 3k40 h ALA 466 N 0.97 0.70 -0.67 6.23 0.00 -0.83 0.67 119.26 126.33 3k40 h ALA 466 Ca 0.10 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.70 3k40 h ALA 466 Cb 0.77 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 3k40 h ALA 466 CO 0.06 0.59 0.42 0.00 0.00 0.00 0.00 179.25 180.33 3k40 h ALA 467 N 0.91 0.87 -0.53 0.00 0.00 -0.83 -1.90 119.26 117.78 3k40 h ALA 467 Ca 0.13 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 3k40 h ALA 467 Cb 0.64 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3k40 h ALA 467 CO 0.04 0.20 -0.10 0.00 0.00 0.00 0.00 179.25 179.39 3k40 h ALA 468 N 1.28 0.81 -0.47 0.00 0.00 -0.90 -1.91 119.26 118.06 3k40 h ALA 468 Ca 0.26 -0.35 0.07 0.00 0.00 0.00 0.00 54.91 54.90 3k40 h ALA 468 Cb -0.01 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.52 3k40 h ALA 468 CO -0.09 0.66 0.12 -0.44 0.00 0.00 0.00 179.25 179.50 3k40 h ASP 469 N 0.89 0.07 -0.78 0.00 3.32 -0.56 -2.15 116.42 117.20 3k40 h ASP 469 Ca 0.14 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.24 3k40 h ASP 469 Cb 0.66 0.09 -0.04 0.00 0.22 0.00 0.00 39.33 40.26 3k40 h ASP 469 CO 0.05 0.07 0.38 -0.33 -1.72 0.00 0.00 179.24 177.68 3k40 h GLU 470 N 0.27 1.12 -0.26 3.56 5.08 -1.03 -2.26 114.58 121.05 3k40 h GLU 470 Ca 0.23 -0.16 0.02 0.00 -1.00 0.00 0.00 59.36 58.45 3k40 h GLU 470 Cb 0.27 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 3k40 h GLU 470 CO -0.27 0.87 0.10 0.52 -1.00 0.00 0.00 179.01 179.23 3k40 h MET 471 N 1.10 0.22 -0.97 2.33 2.86 -1.03 -2.73 114.93 116.72 3k40 h MET 471 Ca 0.27 -0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.97 3k40 h MET 471 Cb 0.11 -0.05 -0.07 0.00 0.06 0.00 0.00 31.60 31.65 3k40 h MET 471 CO -0.03 0.15 0.63 0.93 1.06 0.00 0.00 176.91 179.64 3k40 h GLU 472 N 0.23 1.07 -0.66 1.72 5.08 -1.04 -2.16 114.58 118.83 3k40 h GLU 472 Ca 0.11 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3k40 h GLU 472 Cb 0.07 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.07 3k40 h GLU 472 CO -0.10 0.71 0.00 1.04 -1.00 0.00 0.00 179.01 179.66 3k40 n GLN 473 N -4.50 2.92 -0.70 2.33 6.02 -0.88 -3.88 117.38 118.68 3k40 n GLN 473 Ca 0.15 -1.79 -0.11 0.00 -0.01 0.00 0.00 57.00 55.25 3k40 n GLN 473 Cb 0.20 -1.77 0.03 0.00 1.02 0.00 0.00 30.24 29.73 3k40 n GLN 473 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 3k40 n GLU 474 N 0.50 1.54 -0.51 -1.09 4.07 -0.81 -5.03 120.64 119.30 3k40 n GLU 474 Ca 0.16 -1.09 0.00 0.00 -0.06 0.00 0.00 57.16 56.17 3k40 n GLU 474 Cb 0.68 -1.43 0.00 0.00 -0.06 0.00 0.00 31.44 30.63 3k40 n GLU 474 CO 0.00 0.00 0.00 0.94 -0.06 0.00 0.00 177.13 178.01