#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k1x n ARG 3 N 0.00 0.52 -3.75 3.49 1.74 -1.12 -4.68 116.66 112.86 1k1x n ARG 3 Ca 0.00 -2.96 -0.13 0.00 -0.77 0.00 0.00 57.85 53.99 1k1x n ARG 3 Cb 0.00 1.91 -0.14 0.00 -1.02 0.00 0.00 32.46 33.21 1k1x n ARG 3 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1k1x s ILE 4 N -2.99 -0.04 0.23 0.55 1.10 -0.39 -2.85 121.20 116.80 1k1x s ILE 4 Ca 0.24 0.16 -0.27 0.00 -0.51 0.00 0.00 60.65 60.27 1k1x s ILE 4 Cb 0.01 -0.27 -0.09 0.00 0.15 0.00 0.00 42.46 42.27 1k1x s ILE 4 CO 0.17 0.06 0.88 0.20 -2.11 0.00 0.00 174.94 174.15 1k1x s ASN 5 N 1.09 7.48 -0.05 4.50 0.01 -0.87 -0.91 114.94 126.19 1k1x s ASN 5 Ca -0.08 1.81 0.02 0.00 -0.71 0.00 0.00 52.86 53.90 1k1x s ASN 5 Cb -0.10 -2.56 0.01 0.00 0.41 0.00 0.00 41.25 39.01 1k1x s ASN 5 CO -0.06 0.12 -0.10 0.12 -1.51 0.00 0.00 177.10 175.67 1k1x s PHE 6 N -1.27 1.20 -0.13 2.20 5.36 -0.17 -0.90 117.98 124.26 1k1x s PHE 6 Ca 0.41 -0.38 0.02 0.00 -0.96 0.00 0.00 56.93 56.03 1k1x s PHE 6 Cb -0.23 -0.89 0.01 0.00 -0.34 0.00 0.00 43.02 41.57 1k1x s PHE 6 CO 0.28 -0.20 -0.21 0.42 -1.46 0.00 0.00 175.22 174.06 1k1x s ILE 7 N 0.51 1.95 -0.17 3.12 1.01 -0.74 -1.29 121.20 125.58 1k1x s ILE 7 Ca -0.10 -0.92 -0.01 0.00 0.00 0.00 0.00 60.65 59.63 1k1x s ILE 7 Cb -0.13 -1.73 -0.00 0.00 0.01 0.00 0.00 42.46 40.61 1k1x s ILE 7 CO 0.02 0.53 -0.14 0.12 0.00 0.00 0.00 174.94 175.47 1k1x s PHE 8 N 0.83 2.82 0.07 3.97 5.36 -1.26 -1.05 117.98 128.71 1k1x s PHE 8 Ca -0.07 -1.09 -0.02 0.00 -0.96 0.00 0.00 56.93 54.79 1k1x s PHE 8 Cb -0.15 -1.94 -0.03 0.00 -0.34 0.00 0.00 43.02 40.55 1k1x s PHE 8 CO -0.01 -0.53 0.01 0.20 -1.46 0.00 0.00 175.22 173.43 1k1x s GLY 9 N 1.00 0.48 0.04 13.12 0.00 0.23 -0.50 107.32 121.69 1k1x s GLY 9 Ca -0.02 -1.16 0.01 0.00 0.00 0.00 0.00 44.72 43.55 1k1x s GLY 9 CO -0.03 -1.25 -0.05 -0.26 0.00 0.00 0.00 173.10 171.52 1k1x s ILE 10 N -3.93 0.32 -0.24 0.90 -4.36 -0.17 -3.22 121.20 110.51 1k1x s ILE 10 Ca 0.09 -1.31 0.02 0.00 -0.26 0.00 0.00 60.65 59.19 1k1x s ILE 10 Cb 0.07 -0.84 0.05 0.00 1.25 0.00 0.00 42.46 42.99 1k1x s ILE 10 CO -0.09 -0.65 -0.12 -2.28 0.24 0.00 0.00 174.94 172.05 1k1x s HIS 11 N -2.34 3.03 -0.23 1.37 5.65 -0.33 -1.23 115.29 121.22 1k1x s HIS 11 Ca -0.05 -2.10 -0.07 0.00 0.25 0.00 0.00 55.06 53.10 1k1x s HIS 11 Cb -0.04 -1.87 -0.03 0.00 -1.18 0.00 0.00 32.58 29.47 1k1x s HIS 11 CO -0.03 -0.85 0.05 -0.80 -0.65 0.00 0.00 174.74 172.46 1k1x s ASN 12 N 1.19 5.11 0.01 9.88 0.01 0.11 0.49 114.94 131.73 1k1x s ASN 12 Ca -0.06 -0.17 -0.13 0.00 -0.71 0.00 0.00 52.86 51.80 1k1x s ASN 12 Cb -0.18 -1.90 0.02 0.00 0.41 0.00 0.00 41.25 39.59 1k1x s ASN 12 CO -0.07 0.02 0.27 -2.28 -1.51 0.00 0.00 177.10 173.54 1k1x s HIS 13 N 1.27 -0.11 -0.14 2.20 5.65 -1.26 -1.47 115.29 121.43 1k1x s HIS 13 Ca 0.04 0.09 -0.06 0.00 0.25 0.00 0.00 55.06 55.38 1k1x s HIS 13 Cb -0.15 0.06 0.06 0.00 -1.18 0.00 0.00 32.58 31.38 1k1x s HIS 13 CO 0.03 -0.41 0.31 -1.14 -0.65 0.00 0.00 174.74 172.88 1k1x s GLN 14 N -1.74 0.23 0.52 2.88 2.00 -1.26 -5.03 119.66 117.27 1k1x s GLN 14 Ca -0.11 0.75 -0.23 0.00 -2.00 0.00 0.00 55.36 53.77 1k1x s GLN 14 Cb -0.04 0.01 -0.06 0.00 0.80 0.00 0.00 33.01 33.72 1k1x s GLN 14 CO 0.01 -0.23 1.38 -0.35 -0.50 0.00 0.00 175.29 175.60 1k1x n PRO 15 N 4.89 1.85 -1.68 1.67 -0.04 -1.26 -4.25 135.00 136.18 1k1x n PRO 15 Ca -0.14 0.67 -0.45 0.00 -0.04 0.00 0.00 63.50 63.54 1k1x n PRO 15 Cb 0.51 -2.59 -0.04 0.00 -0.04 0.00 0.00 33.50 31.35 1k1x n PRO 15 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1k1x n LEU 16 N -0.76 3.47 0.00 1.53 0.00 -1.26 -1.95 117.00 118.02 1k1x n LEU 16 Ca 0.09 1.04 0.00 0.00 0.00 0.00 0.00 56.01 57.14 1k1x n LEU 16 Cb 0.44 -1.46 0.00 0.00 0.00 0.00 0.00 43.42 42.39 1k1x n LEU 16 CO 0.55 -0.09 0.00 0.61 0.00 0.00 0.00 177.39 178.46 1k1x n GLY 17 N 3.81 0.49 3.81 -3.96 0.00 -1.26 -4.82 105.19 103.27 1k1x n GLY 17 Ca 0.18 -0.90 -0.33 0.00 0.00 0.00 0.00 46.02 44.96 1k1x n GLY 17 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1k1x s ASN 18 N -2.82 6.62 0.17 1.61 2.47 -0.82 -4.64 114.94 117.52 1k1x s ASN 18 Ca 0.00 1.77 -0.33 0.00 0.42 0.00 0.00 52.86 54.72 1k1x s ASN 18 Cb 0.00 -2.54 -0.16 0.00 -1.45 0.00 0.00 41.25 37.10 1k1x s ASN 18 CO 0.00 -0.58 1.14 0.49 -3.72 0.00 0.00 177.10 174.43 1k1x n PHE 19 N -0.95 1.22 -0.18 0.43 0.99 -1.26 -4.83 117.46 112.88 1k1x n PHE 19 Ca 0.08 0.70 0.16 0.00 -0.00 0.00 0.00 57.45 58.39 1k1x n PHE 19 Cb 0.53 -2.26 0.50 0.00 -1.00 0.00 0.00 39.48 37.25 1k1x n PHE 19 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 1k1x h GLY 20 N 3.30 0.74 2.00 1.37 0.00 -2.01 -1.40 103.07 107.07 1k1x h GLY 20 Ca -0.43 -0.18 -0.07 0.00 0.00 0.00 0.00 47.33 46.64 1k1x h GLY 20 CO 0.70 0.05 -0.34 0.11 0.00 0.00 0.00 176.54 177.06 1k1x h TRP 21 N 0.43 0.00 -0.37 5.60 5.08 -1.99 -2.36 115.95 122.33 1k1x h TRP 21 Ca 0.39 0.00 -0.14 0.00 1.08 0.00 0.00 58.89 60.21 1k1x h TRP 21 Cb 0.88 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.04 1k1x h TRP 21 CO -0.00 0.34 -0.33 0.28 -1.28 0.00 0.00 178.44 177.45 1k1x h VAL 22 N 0.00 1.28 -0.67 0.12 2.07 -1.60 0.33 116.25 117.78 1k1x h VAL 22 Ca -0.00 -1.50 0.00 0.00 0.82 0.00 0.00 66.70 66.02 1k1x h VAL 22 Cb 0.83 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.98 1k1x h VAL 22 CO 0.04 0.50 0.43 -0.26 0.02 0.00 0.00 177.57 178.30 1k1x h PHE 23 N 0.68 0.87 -0.30 1.57 -1.00 -1.43 -0.15 116.94 117.17 1k1x h PHE 23 Ca 0.06 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.86 1k1x h PHE 23 Cb 0.92 -0.29 -0.02 0.00 3.61 0.00 0.00 35.95 40.18 1k1x h PHE 23 CO 0.06 0.57 0.20 1.49 -1.61 0.00 0.00 178.31 179.02 1k1x h GLU 24 N 0.91 0.39 0.10 1.51 4.57 -1.13 -0.13 114.58 120.81 1k1x h GLU 24 Ca 0.24 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.40 1k1x h GLU 24 Cb -0.07 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.43 1k1x h GLU 24 CO -0.05 0.26 -0.05 1.49 -1.18 0.00 0.00 179.01 179.48 1k1x h GLU 25 N 0.40 -0.13 0.00 1.92 4.81 -0.51 -1.91 114.58 119.15 1k1x h GLU 25 Ca 0.11 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 1k1x h GLU 25 Cb -0.04 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.37 1k1x h GLU 25 CO -0.03 0.00 -0.11 0.00 -0.73 0.00 0.00 179.01 178.15 1k1x h ALA 26 N 0.65 1.58 -0.03 2.92 0.00 -0.92 -1.27 119.26 122.18 1k1x h ALA 26 Ca -0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1k1x h ALA 26 Cb 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1k1x h ALA 26 CO 0.02 0.13 -0.07 -0.92 0.00 0.00 0.00 179.25 178.41 1k1x h TYR 27 N 0.00 0.13 -0.01 0.00 3.20 -0.67 -2.08 116.97 117.54 1k1x h TYR 27 Ca -0.00 -0.05 -0.19 0.00 3.14 0.00 0.00 58.73 61.63 1k1x h TYR 27 Cb 0.22 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 1k1x h TYR 27 CO 0.00 0.68 -0.82 -0.91 -1.64 0.00 0.00 178.16 175.47 1k1x h ASN 28 N -0.46 0.24 0.69 -2.11 2.35 -1.10 0.25 115.58 115.45 1k1x h ASN 28 Ca -0.00 -0.19 0.00 0.00 -0.55 0.00 0.00 56.30 55.56 1k1x h ASN 28 Cb 0.68 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.97 1k1x h ASN 28 CO 0.02 0.96 -0.59 0.54 -1.65 0.00 0.00 177.43 176.70 1k1x n ARG 29 N -3.69 0.17 0.05 0.81 5.12 -0.50 -4.34 116.66 114.28 1k1x n ARG 29 Ca -0.03 0.04 0.00 0.00 -1.93 0.00 0.00 57.85 55.93 1k1x n ARG 29 Cb 0.77 -1.60 0.00 0.00 -1.16 0.00 0.00 32.46 30.47 1k1x n ARG 29 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1k1x n SER 30 N -1.84 -0.30 -0.15 0.55 2.88 -0.96 -3.95 113.62 109.85 1k1x n SER 30 Ca 0.04 0.19 -0.03 0.00 -1.33 0.00 0.00 58.87 57.74 1k1x n SER 30 Cb 0.40 0.40 0.04 0.00 -0.75 0.00 0.00 64.21 64.29 1k1x n SER 30 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 1k1x h TYR 31 N 0.00 -0.18 0.40 0.66 0.99 -1.39 -0.64 116.97 116.82 1k1x h TYR 31 Ca 0.00 0.04 -0.02 0.00 2.00 0.00 0.00 58.73 60.75 1k1x h TYR 31 Cb 0.00 0.15 0.00 0.00 1.00 0.00 0.00 36.73 37.89 1k1x h TYR 31 CO 0.00 -0.17 -0.19 -0.09 -0.00 0.00 0.00 178.16 177.70 1k1x h ARG 32 N 0.03 -0.52 -0.53 4.88 1.12 -0.73 -3.13 114.38 115.51 1k1x h ARG 32 Ca 0.23 0.04 0.09 0.00 -1.11 0.00 0.00 59.98 59.23 1k1x h ARG 32 Cb 0.36 0.12 -0.07 0.00 -0.01 0.00 0.00 29.97 30.36 1k1x h ARG 32 CO -0.46 -0.21 0.13 -1.35 -3.11 0.00 0.00 179.97 174.97 1k1x h PRO 33 N -0.95 0.27 -0.27 0.20 0.11 -1.72 -1.87 132.00 127.77 1k1x h PRO 33 Ca -0.06 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 66.10 1k1x h PRO 33 Cb 0.55 -0.06 -0.08 0.00 0.11 0.00 0.00 31.00 31.52 1k1x h PRO 33 CO 0.09 0.18 -0.29 0.35 -0.21 0.00 0.00 178.00 178.12 1k1x h PHE 34 N 0.28 -0.78 -0.00 0.65 3.57 -1.20 -1.66 116.94 117.79 1k1x h PHE 34 Ca 0.26 0.04 -0.11 0.00 3.53 0.00 0.00 57.97 61.70 1k1x h PHE 34 Cb 0.35 0.38 -0.02 0.00 2.79 0.00 0.00 35.95 39.46 1k1x h PHE 34 CO -0.21 -0.36 -0.52 0.52 -2.23 0.00 0.00 178.31 175.51 1k1x h MET 35 N -0.28 0.00 -0.36 1.11 2.86 -1.42 -1.13 114.93 115.71 1k1x h MET 35 Ca 0.14 -0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.76 1k1x h MET 35 Cb 0.51 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.15 1k1x h MET 35 CO -0.43 0.52 0.13 0.93 1.06 0.00 0.00 176.91 179.12 1k1x h GLU 36 N 0.00 0.54 -0.29 1.72 5.08 -0.81 -2.11 114.58 118.71 1k1x h GLU 36 Ca -0.00 -0.10 -0.13 0.00 -1.00 0.00 0.00 59.36 58.12 1k1x h GLU 36 Cb 0.91 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 1k1x h GLU 36 CO 0.07 0.54 -0.36 0.82 -1.00 0.00 0.00 179.01 179.07 1k1x h ILE 37 N 0.43 1.29 -0.72 3.13 2.04 -1.17 -2.81 117.51 119.70 1k1x h ILE 37 Ca 0.12 -1.52 0.05 0.00 1.00 0.00 0.00 64.86 64.51 1k1x h ILE 37 Cb 0.21 1.46 -0.04 0.00 -0.74 0.00 0.00 36.82 37.70 1k1x h ILE 37 CO -0.01 0.49 0.47 0.25 0.00 0.00 0.00 178.15 179.36 1k1x h LEU 38 N 0.55 0.71 -2.16 1.44 5.85 -0.97 -0.67 115.31 120.06 1k1x h LEU 38 Ca 0.05 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 1k1x h LEU 38 Cb 0.88 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.75 1k1x h LEU 38 CO 0.08 0.47 -0.03 -0.08 -0.34 0.00 0.00 178.44 178.54 1k1x h GLU 39 N 0.81 0.00 0.00 1.25 4.22 -1.11 -2.30 114.58 117.45 1k1x h GLU 39 Ca 0.30 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.73 1k1x h GLU 39 Cb 0.16 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 1k1x h GLU 39 CO -0.09 0.03 -0.07 0.93 -2.18 0.00 0.00 179.01 177.63 1k1x h GLU 40 N 0.00 0.00 -3.30 1.92 5.08 -1.15 -3.38 114.58 113.75 1k1x h GLU 40 Ca -0.00 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.72 1k1x h GLU 40 Cb 0.06 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 28.90 1k1x h GLU 40 CO 0.00 0.07 -0.57 -0.06 -1.00 0.00 0.00 179.01 177.45 1k1x s PHE 41 N -3.50 3.34 0.63 4.33 0.40 -0.86 -4.95 117.98 117.36 1k1x s PHE 41 Ca 0.03 -3.19 0.26 0.00 -0.60 0.00 0.00 56.93 53.43 1k1x s PHE 41 Cb 0.08 -2.83 1.33 0.00 0.51 0.00 0.00 43.02 42.11 1k1x s PHE 41 CO 0.61 -0.69 1.76 -1.35 0.70 0.00 0.00 175.22 176.25 1k1x h PRO 42 N 6.18 0.00 0.00 0.24 0.11 -1.77 0.14 132.00 136.90 1k1x h PRO 42 Ca 0.00 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.02 1k1x h PRO 42 Cb 0.85 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.95 1k1x h PRO 42 CO 0.71 0.00 -0.81 0.93 -0.21 0.00 0.00 178.00 178.62 1k1x h GLU 43 N 0.00 0.00 -6.44 1.05 5.08 -1.92 -3.46 114.58 108.89 1k1x h GLU 43 Ca 0.13 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.96 1k1x h GLU 43 Cb 1.23 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.49 1k1x h GLU 43 CO -0.00 0.27 0.83 1.41 -1.00 0.00 0.00 179.01 180.52 1k1x s MET 44 N -3.06 4.28 -0.13 2.33 1.75 0.03 -5.00 119.30 119.51 1k1x s MET 44 Ca 0.01 2.07 -0.02 0.00 -1.25 0.00 0.00 55.69 56.51 1k1x s MET 44 Cb 0.08 -3.47 -0.03 0.00 2.84 0.00 0.00 34.83 34.25 1k1x s MET 44 CO 0.76 -0.56 -0.06 0.15 -0.65 0.00 0.00 175.02 174.66 1k1x s LYS 45 N 2.03 3.40 -0.01 4.11 1.02 -1.26 -4.63 119.74 124.40 1k1x s LYS 45 Ca 0.66 -0.56 0.03 0.00 0.02 0.00 0.00 55.97 56.12 1k1x s LYS 45 Cb -0.35 -2.78 -0.01 0.00 -0.52 0.00 0.00 37.83 34.17 1k1x s LYS 45 CO 0.29 0.34 -0.10 0.08 -0.92 0.00 0.00 175.35 175.03 1k1x s VAL 46 N 0.07 0.82 -0.31 3.17 1.01 -0.11 -4.50 120.40 120.55 1k1x s VAL 46 Ca -0.02 -0.44 -0.08 0.00 0.00 0.00 0.00 61.98 61.45 1k1x s VAL 46 Cb -0.14 -0.69 0.01 0.00 0.00 0.00 0.00 36.38 35.56 1k1x s VAL 46 CO 0.03 0.23 0.11 0.20 0.00 0.00 0.00 175.10 175.68 1k1x s ASN 47 N -0.19 5.30 0.02 3.32 0.01 0.34 -1.57 114.94 122.18 1k1x s ASN 47 Ca 0.03 -0.76 0.08 0.00 -0.71 0.00 0.00 52.86 51.51 1k1x s ASN 47 Cb -0.05 -1.92 -0.02 0.00 0.41 0.00 0.00 41.25 39.67 1k1x s ASN 47 CO -0.00 -0.23 -0.24 0.54 -1.51 0.00 0.00 177.10 175.65 1k1x s VAL 48 N 1.52 1.96 -0.19 1.60 0.11 -0.13 -1.00 120.40 124.28 1k1x s VAL 48 Ca 0.02 -1.23 0.00 0.00 -2.93 0.00 0.00 61.98 57.84 1k1x s VAL 48 Cb -0.18 -1.67 0.02 0.00 -1.53 0.00 0.00 36.38 33.02 1k1x s VAL 48 CO 0.04 0.39 -0.18 -2.28 -3.33 0.00 0.00 175.10 169.74 1k1x s HIS 49 N -0.73 2.81 -0.13 1.54 2.46 -0.37 0.77 115.29 121.64 1k1x s HIS 49 Ca 0.10 -1.54 -0.03 0.00 0.47 0.00 0.00 55.06 54.06 1k1x s HIS 49 Cb -0.09 -1.95 -0.03 0.00 -0.13 0.00 0.00 32.58 30.38 1k1x s HIS 49 CO 0.01 -0.77 -0.03 -0.06 -2.47 0.00 0.00 174.74 171.42 1k1x s PHE 50 N 1.31 3.04 0.54 3.88 0.40 -1.26 0.10 117.98 125.99 1k1x s PHE 50 Ca 0.05 -0.16 -0.15 0.00 -0.60 0.00 0.00 56.93 56.07 1k1x s PHE 50 Cb -0.13 -1.90 -0.07 0.00 0.51 0.00 0.00 43.02 41.43 1k1x s PHE 50 CO -0.11 0.10 1.00 -1.54 0.70 0.00 0.00 175.22 175.36 1k1x s SER 51 N 0.01 6.50 0.19 1.36 1.04 -0.54 -4.90 113.70 117.37 1k1x s SER 51 Ca 0.01 1.53 -0.11 0.00 0.48 0.00 0.00 55.95 57.86 1k1x s SER 51 Cb -0.13 -2.50 0.22 0.00 0.10 0.00 0.00 66.02 63.71 1k1x s SER 51 CO 0.03 -0.67 1.73 1.23 0.98 0.00 0.00 173.24 176.53 1k1x h GLY 52 N 0.57 0.71 0.51 7.32 0.00 -0.73 -1.96 103.07 109.50 1k1x h GLY 52 Ca -0.46 -0.07 0.07 0.00 0.00 0.00 0.00 47.33 46.87 1k1x h GLY 52 CO 0.62 -0.04 0.17 -2.55 0.00 0.00 0.00 176.54 174.74 1k1x h PRO 53 N 0.32 0.33 -0.46 4.80 0.11 -1.83 -0.70 132.00 134.56 1k1x h PRO 53 Ca 0.27 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.35 1k1x h PRO 53 Cb 0.34 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.36 1k1x h PRO 53 CO -0.31 0.22 0.26 1.25 -0.21 0.00 0.00 178.00 179.21 1k1x h LEU 54 N 0.34 0.58 -1.24 2.35 6.46 -1.64 -2.38 115.31 119.77 1k1x h LEU 54 Ca 0.24 -0.09 -0.04 0.00 -0.12 0.00 0.00 57.88 57.88 1k1x h LEU 54 Cb 0.26 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.03 1k1x h LEU 54 CO -0.25 0.50 0.11 -0.07 -0.62 0.00 0.00 178.44 178.11 1k1x h LEU 55 N 0.61 0.58 -0.53 2.25 3.38 -0.77 -0.62 115.31 120.22 1k1x h LEU 55 Ca 0.16 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 1k1x h LEU 55 Cb 0.04 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1k1x h LEU 55 CO -0.03 0.58 0.01 -0.33 0.09 0.00 0.00 178.44 178.76 1k1x h GLU 56 N 0.62 0.92 -0.24 1.13 5.08 -0.82 -1.23 114.58 120.04 1k1x h GLU 56 Ca 0.14 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.18 1k1x h GLU 56 Cb 0.22 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1k1x h GLU 56 CO -0.01 0.93 0.02 2.35 -1.00 0.00 0.00 179.01 181.31 1k1x h TRP 57 N 0.79 0.44 -0.28 4.33 7.01 -0.97 -2.76 115.95 124.52 1k1x h TRP 57 Ca 0.15 -0.07 0.00 0.00 2.11 0.00 0.00 58.89 61.08 1k1x h TRP 57 Cb 0.51 -0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 27.44 1k1x h TRP 57 CO 0.04 0.56 0.18 0.82 -2.79 0.00 0.00 178.44 177.25 1k1x h ILE 58 N 0.20 1.08 0.00 2.65 2.04 -1.03 0.19 117.51 122.64 1k1x h ILE 58 Ca 0.07 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 1k1x h ILE 58 Cb 0.37 0.69 -0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1k1x h ILE 58 CO 0.01 0.08 -0.03 -0.08 0.00 0.00 0.00 178.15 178.12 1k1x h GLU 59 N 0.37 0.00 0.10 2.37 4.81 -1.20 0.51 114.58 121.54 1k1x h GLU 59 Ca 0.10 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 59.00 1k1x h GLU 59 Cb -0.03 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 1k1x h GLU 59 CO -0.02 0.03 -1.79 1.49 -0.73 0.00 0.00 179.01 178.00 1k1x h GLU 60 N 0.00 0.20 0.01 1.92 4.57 -1.10 -3.36 114.58 116.81 1k1x h GLU 60 Ca -0.00 -0.35 -0.35 0.00 -1.18 0.00 0.00 59.36 57.48 1k1x h GLU 60 Cb 0.08 0.13 -0.06 0.00 -0.16 0.00 0.00 28.75 28.74 1k1x h GLU 60 CO 0.00 1.17 -2.18 0.09 -1.18 0.00 0.00 179.01 176.91 1k1x n ASN 61 N -3.74 0.63 -2.93 1.04 3.02 0.62 -4.71 115.26 109.19 1k1x n ASN 61 Ca -0.32 0.12 -0.18 0.00 -0.03 0.00 0.00 54.58 54.17 1k1x n ASN 61 Cb 0.95 0.40 -0.01 0.00 -0.61 0.00 0.00 39.78 40.51 1k1x n ASN 61 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1k1x n LYS 62 N -2.94 1.62 0.14 3.52 4.01 0.17 -4.95 118.16 119.73 1k1x n LYS 62 Ca -0.30 -3.69 0.19 0.00 -0.51 0.00 0.00 58.31 54.00 1k1x n LYS 62 Cb 1.10 -1.71 0.68 0.00 -0.51 0.00 0.00 35.03 34.59 1k1x n LYS 62 CO 0.00 0.00 0.00 -1.00 -1.11 0.00 0.00 177.40 175.29 1k1x h PRO 63 N 2.95 0.00 0.00 1.97 0.13 -1.59 0.33 132.00 135.80 1k1x h PRO 63 Ca 0.07 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.14 1k1x h PRO 63 Cb 0.95 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.07 1k1x h PRO 63 CO 0.59 0.00 -0.29 -0.44 -0.23 0.00 0.00 178.00 177.62 1k1x h ASP 64 N 0.00 0.00 -0.77 1.44 5.19 -1.92 -2.63 116.42 117.73 1k1x h ASP 64 Ca 0.17 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 56.58 1k1x h ASP 64 Cb 1.25 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.72 1k1x h ASP 64 CO -0.00 0.29 0.51 0.22 -3.12 0.00 0.00 179.24 177.14 1k1x h TYR 65 N 0.00 0.97 0.00 4.55 3.20 -1.27 -1.96 116.97 122.45 1k1x h TYR 65 Ca -0.00 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 1k1x h TYR 65 Cb 0.64 -0.33 -0.00 0.00 1.54 0.00 0.00 36.73 38.57 1k1x h TYR 65 CO 0.00 0.61 -0.16 -0.07 -1.64 0.00 0.00 178.16 176.90 1k1x h LEU 66 N 1.04 0.00 -0.55 2.82 3.38 -1.60 -1.27 115.31 119.13 1k1x h LEU 66 Ca 0.28 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.11 1k1x h LEU 66 Cb -0.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1k1x h LEU 66 CO -0.06 0.16 -0.38 0.44 0.09 0.00 0.00 178.44 178.69 1k1x h ASP 67 N 0.00 0.79 -0.27 -0.43 3.32 -1.38 -1.54 116.42 116.91 1k1x h ASP 67 Ca -0.00 -0.35 -0.03 0.00 0.02 0.00 0.00 57.03 56.67 1k1x h ASP 67 Cb 0.29 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1k1x h ASP 67 CO 0.02 1.09 0.05 0.25 -1.72 0.00 0.00 179.24 178.93 1k1x h LEU 68 N 0.62 0.42 -0.90 1.55 5.85 -0.88 -2.33 115.31 119.63 1k1x h LEU 68 Ca 0.05 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.55 1k1x h LEU 68 Cb 0.93 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.80 1k1x h LEU 68 CO 0.08 0.56 0.59 -0.07 -0.34 0.00 0.00 178.44 179.26 1k1x h LEU 69 N 0.26 0.99 -0.93 2.25 3.38 -1.17 -0.43 115.31 119.66 1k1x h LEU 69 Ca 0.08 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.09 1k1x h LEU 69 Cb 0.31 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 1k1x h LEU 69 CO 0.00 0.69 0.59 0.03 0.09 0.00 0.00 178.44 179.85 1k1x h ARG 70 N 1.16 1.07 0.08 1.13 3.08 -0.98 0.03 114.38 119.94 1k1x h ARG 70 Ca 0.35 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.33 1k1x h ARG 70 Cb -0.04 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 29.77 1k1x h ARG 70 CO -0.10 0.70 -0.04 0.77 -1.07 0.00 0.00 179.97 180.23 1k1x h SER 71 N 1.10 -0.09 -0.63 7.04 0.02 -0.75 -0.17 113.55 120.06 1k1x h SER 71 Ca 0.39 -0.35 0.10 0.00 -0.84 0.00 0.00 61.79 61.09 1k1x h SER 71 Cb 0.12 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.65 1k1x h SER 71 CO -0.16 0.31 0.42 -0.07 -1.14 0.00 0.00 176.83 176.20 1k1x h LEU 72 N -0.52 0.42 -0.13 5.07 3.38 -0.84 0.50 115.31 123.18 1k1x h LEU 72 Ca -0.01 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 1k1x h LEU 72 Cb 0.44 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1k1x h LEU 72 CO 0.02 0.25 -0.44 0.40 0.09 0.00 0.00 178.44 178.76 1k1x h ILE 73 N 0.47 1.36 0.00 1.22 2.04 -0.87 0.15 117.51 121.88 1k1x h ILE 73 Ca 0.29 -1.73 -0.04 0.00 1.00 0.00 0.00 64.86 64.38 1k1x h ILE 73 Cb 0.52 2.08 -0.01 0.00 -0.74 0.00 0.00 36.82 38.67 1k1x h ILE 73 CO -0.09 0.52 -0.19 0.50 0.00 0.00 0.00 178.15 178.90 1k1x h LYS 74 N 0.16 0.00 -0.69 2.37 3.64 0.41 -2.18 116.57 120.28 1k1x h LYS 74 Ca -0.02 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.30 1k1x h LYS 74 Cb 1.07 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.85 1k1x h LYS 74 CO 0.09 0.19 0.08 2.89 -2.27 0.00 0.00 179.45 180.43 1k1x n ARG 75 N -4.03 4.06 -1.39 1.90 1.85 0.03 -4.93 116.66 114.16 1k1x n ARG 75 Ca -0.02 -2.70 -0.13 0.00 -1.00 0.00 0.00 57.85 54.00 1k1x n ARG 75 Cb 0.27 -2.15 -0.06 0.00 -1.05 0.00 0.00 32.46 29.48 1k1x n ARG 75 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1k1x n GLY 76 N 0.34 1.35 0.04 2.89 0.00 -0.82 -4.88 105.19 104.11 1k1x n GLY 76 Ca 0.28 -0.18 0.12 0.00 0.00 0.00 0.00 46.02 46.23 1k1x n GLY 76 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1k1x n GLN 77 N -1.96 0.24 -4.39 1.61 6.02 0.51 -4.84 117.38 114.56 1k1x n GLN 77 Ca -0.13 0.03 -0.20 0.00 -0.01 0.00 0.00 57.00 56.69 1k1x n GLN 77 Cb 0.52 -1.61 -0.15 0.00 1.02 0.00 0.00 30.24 30.01 1k1x n GLN 77 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1k1x s LEU 78 N -3.87 1.81 -0.14 1.08 1.43 -1.00 -0.93 118.68 117.05 1k1x s LEU 78 Ca 0.06 -0.19 -0.00 0.00 -1.03 0.00 0.00 54.13 52.97 1k1x s LEU 78 Cb 0.15 -0.55 -0.01 0.00 0.03 0.00 0.00 46.19 45.81 1k1x s LEU 78 CO 0.76 0.07 -0.13 -0.70 0.23 0.00 0.00 176.35 176.57 1k1x s GLU 79 N 0.16 3.33 -0.19 1.70 2.12 -0.61 -4.62 118.70 120.58 1k1x s GLU 79 Ca -0.03 -0.70 -0.19 0.00 0.36 0.00 0.00 54.97 54.41 1k1x s GLU 79 Cb -0.08 -2.65 -0.03 0.00 0.26 0.00 0.00 34.13 31.63 1k1x s GLU 79 CO 0.00 0.13 0.57 0.42 -0.54 0.00 0.00 175.26 175.84 1k1x s ILE 80 N 0.55 5.07 -0.11 -3.70 -1.09 -1.26 -0.95 121.20 119.71 1k1x s ILE 80 Ca -0.09 1.06 -0.05 0.00 -2.23 0.00 0.00 60.65 59.34 1k1x s ILE 80 Cb -0.16 -3.89 -0.04 0.00 -1.58 0.00 0.00 42.46 36.80 1k1x s ILE 80 CO 0.04 0.16 0.09 -0.69 -1.23 0.00 0.00 174.94 173.30 1k1x s VAL 81 N 1.70 5.07 0.27 2.92 1.01 0.23 -4.58 120.40 127.02 1k1x s VAL 81 Ca 0.26 0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.32 1k1x s VAL 81 Cb -0.16 -3.19 0.03 0.00 0.00 0.00 0.00 36.38 33.07 1k1x s VAL 81 CO 0.10 0.61 0.28 0.52 0.00 0.00 0.00 175.10 176.61 1k1x n VAL 82 N 2.11 0.00 -2.46 2.92 0.31 -0.25 -4.19 118.33 116.77 1k1x n VAL 82 Ca -0.19 -0.99 0.00 0.00 -0.01 0.00 0.00 64.34 63.15 1k1x n VAL 82 Cb 0.54 -0.49 0.00 0.00 -0.91 0.00 0.00 33.84 32.98 1k1x n VAL 82 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1k1x n ALA 83 N -2.56 0.00 -2.70 3.52 0.00 -1.26 -0.56 120.51 116.96 1k1x n ALA 83 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.95 1k1x n ALA 83 Cb 0.29 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.71 1k1x n ALA 83 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1k1x s GLY 84 N 0.00 2.50 0.23 0.00 0.00 -1.26 -4.03 107.32 104.75 1k1x s GLY 84 Ca 0.00 0.30 -0.14 0.00 0.00 0.00 0.00 44.72 44.88 1k1x s GLY 84 CO 0.00 1.66 1.46 0.33 0.00 0.00 0.00 173.10 176.55 1k1x n PHE 85 N 4.52 0.10 -0.05 1.90 7.35 0.73 -0.13 117.46 131.89 1k1x n PHE 85 Ca 0.05 1.15 -0.03 0.00 -0.76 0.00 0.00 57.45 57.86 1k1x n PHE 85 Cb 0.50 -0.90 0.16 0.00 0.35 0.00 0.00 39.48 39.59 1k1x n PHE 85 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 1k1x n TYR 86 N -5.42 1.29 -3.64 -5.13 4.02 -1.26 -0.05 117.16 106.98 1k1x n TYR 86 Ca 0.11 -0.72 -0.21 0.00 -0.01 0.00 0.00 57.90 57.07 1k1x n TYR 86 Cb 0.40 -0.44 0.05 0.00 -0.02 0.00 0.00 39.34 39.33 1k1x n TYR 86 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 1k1x n GLU 87 N 0.04 -5.50 -2.77 -0.72 4.07 0.81 -3.73 120.64 112.85 1k1x n GLU 87 Ca 0.21 0.69 -0.29 0.00 -0.06 0.00 0.00 57.16 57.71 1k1x n GLU 87 Cb 0.89 -5.40 -0.02 0.00 -0.06 0.00 0.00 31.44 26.86 1k1x n GLU 87 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 1k1x s PRO 88 N -5.85 3.65 -0.58 5.31 0.04 -1.25 -2.18 135.00 134.13 1k1x s PRO 88 Ca 0.05 0.30 -0.28 0.00 0.04 0.00 0.00 61.00 61.11 1k1x s PRO 88 Cb -0.03 -2.40 0.03 0.00 0.04 0.00 0.00 34.50 32.14 1k1x s PRO 88 CO 0.79 -0.11 1.23 0.08 0.04 0.00 0.00 177.00 179.03 1k1x s VAL 89 N -2.55 3.97 0.33 -0.36 1.01 -1.26 -4.72 120.40 116.82 1k1x s VAL 89 Ca 0.49 0.86 0.11 0.00 0.00 0.00 0.00 61.98 63.44 1k1x s VAL 89 Cb -0.10 -4.69 0.33 0.00 0.00 0.00 0.00 36.38 31.92 1k1x s VAL 89 CO 0.38 -1.32 1.66 -0.07 0.00 0.00 0.00 175.10 175.74 1k1x h LEU 90 N 12.13 0.36 0.00 3.92 4.07 -1.91 0.37 115.31 134.25 1k1x h LEU 90 Ca -0.25 0.20 0.00 0.00 0.08 0.00 0.00 57.88 57.90 1k1x h LEU 90 Cb 1.06 0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.98 1k1x h LEU 90 CO 1.19 -0.15 0.00 0.00 -1.08 0.00 0.00 178.44 178.40 1k1x n ALA 91 N -2.41 1.74 -0.26 1.53 0.00 -1.26 -2.77 120.51 117.08 1k1x n ALA 91 Ca 0.29 -0.06 0.09 0.00 0.00 0.00 0.00 53.44 53.76 1k1x n ALA 91 Cb 0.91 -1.23 0.25 0.00 0.00 0.00 0.00 19.45 19.38 1k1x n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k1x n ALA 92 N -1.37 2.30 -2.34 0.00 0.00 0.13 -4.97 120.51 114.26 1k1x n ALA 92 Ca 0.05 -1.22 -0.15 0.00 0.00 0.00 0.00 53.44 52.12 1k1x n ALA 92 Cb 0.13 -0.71 -0.10 0.00 0.00 0.00 0.00 19.45 18.76 1k1x n ALA 92 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1k1x s ILE 93 N -1.02 1.21 0.53 0.00 -4.36 -1.11 -4.99 121.20 111.46 1k1x s ILE 93 Ca 0.38 -1.95 -0.20 0.00 -0.26 0.00 0.00 60.65 58.62 1k1x s ILE 93 Cb 0.20 -1.73 -0.08 0.00 1.25 0.00 0.00 42.46 42.10 1k1x s ILE 93 CO 0.26 -0.65 0.87 -2.65 0.24 0.00 0.00 174.94 173.01 1k1x n PRO 94 N 0.04 0.95 0.26 0.37 -0.02 -1.26 -4.77 135.00 130.56 1k1x n PRO 94 Ca -0.12 0.36 0.10 0.00 -2.02 0.00 0.00 63.50 61.81 1k1x n PRO 94 Cb 0.59 -2.00 0.69 0.00 -0.02 0.00 0.00 33.50 32.77 1k1x n PRO 94 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1k1x h LYS 95 N 0.78 0.00 -0.38 -0.52 2.10 -1.99 -1.91 116.57 114.66 1k1x h LYS 95 Ca -0.46 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.12 1k1x h LYS 95 Cb 1.36 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.68 1k1x h LYS 95 CO 0.52 0.04 -0.04 0.93 -2.00 0.00 0.00 179.45 178.90 1k1x h GLU 96 N 0.00 0.69 -0.01 0.07 3.07 -2.01 -2.98 114.58 113.41 1k1x h GLU 96 Ca -0.00 -0.24 -0.10 0.00 -0.50 0.00 0.00 59.36 58.52 1k1x h GLU 96 Cb 0.08 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 27.93 1k1x h GLU 96 CO 0.01 0.82 -0.45 -0.44 -1.40 0.00 0.00 179.01 177.54 1k1x h ASP 97 N 0.50 0.03 -0.88 1.42 3.45 -1.72 -2.85 116.42 116.37 1k1x h ASP 97 Ca 0.10 -0.01 0.05 0.00 0.43 0.00 0.00 57.03 57.60 1k1x h ASP 97 Cb 0.53 -0.01 -0.06 0.00 -0.56 0.00 0.00 39.33 39.23 1k1x h ASP 97 CO 0.03 0.48 0.56 0.03 -1.57 0.00 0.00 179.24 178.77 1k1x h ARG 98 N 0.03 1.02 0.53 3.56 3.08 -1.24 0.81 114.38 122.18 1k1x h ARG 98 Ca -0.00 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 1k1x h ARG 98 Cb 0.81 -0.23 0.01 0.00 0.08 0.00 0.00 29.97 30.64 1k1x h ARG 98 CO 0.06 0.68 -0.26 1.25 -1.07 0.00 0.00 179.97 180.63 1k1x h LEU 99 N 1.05 -0.61 -0.56 3.04 6.46 -1.44 -1.65 115.31 121.60 1k1x h LEU 99 Ca 0.37 -0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 58.10 1k1x h LEU 99 Cb 0.09 0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 40.15 1k1x h LEU 99 CO -0.14 -0.39 0.27 0.58 -0.62 0.00 0.00 178.44 178.14 1k1x h VAL 100 N -0.79 1.21 -0.53 1.05 2.07 -1.47 0.74 116.25 118.53 1k1x h VAL 100 Ca -0.07 -0.58 0.08 0.00 0.82 0.00 0.00 66.70 66.95 1k1x h VAL 100 Cb 0.58 0.56 -0.07 0.00 -1.52 0.00 0.00 31.29 30.84 1k1x h VAL 100 CO 0.12 0.23 0.16 1.56 0.02 0.00 0.00 177.57 179.67 1k1x h GLN 101 N 0.76 0.32 -0.03 1.57 1.08 -0.79 -0.12 115.11 117.90 1k1x h GLN 101 Ca 0.19 -0.02 -0.15 0.00 -1.45 0.00 0.00 58.65 57.23 1k1x h GLN 101 Cb 0.12 -0.07 0.01 0.00 -0.05 0.00 0.00 27.48 27.49 1k1x h GLN 101 CO -0.02 0.21 -0.55 0.82 -0.95 0.00 0.00 178.83 178.33 1k1x h ILE 102 N 0.33 1.41 -0.69 2.54 2.04 -1.06 0.21 117.51 122.29 1k1x h ILE 102 Ca 0.27 -1.99 0.07 0.00 1.00 0.00 0.00 64.86 64.21 1k1x h ILE 102 Cb 0.33 2.49 -0.04 0.00 -0.74 0.00 0.00 36.82 38.85 1k1x h ILE 102 CO -0.30 0.58 0.45 -0.08 0.00 0.00 0.00 178.15 178.81 1k1x h GLU 103 N -0.06 0.64 -0.05 2.37 4.57 -0.63 -0.28 114.58 121.14 1k1x h GLU 103 Ca -0.06 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 1k1x h GLU 103 Cb 1.25 -0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 29.69 1k1x h GLU 103 CO 0.11 0.42 0.03 0.52 -1.18 0.00 0.00 179.01 178.91 1k1x h MET 104 N 0.66 0.07 0.00 1.92 2.86 -1.02 0.02 114.93 119.43 1k1x h MET 104 Ca 0.30 -0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.87 1k1x h MET 104 Cb 0.34 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 1k1x h MET 104 CO -0.10 0.06 -0.33 1.25 1.06 0.00 0.00 176.91 178.85 1k1x h LEU 105 N 0.05 0.00 -0.34 1.22 5.85 -1.44 -1.49 115.31 119.15 1k1x h LEU 105 Ca 0.02 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.57 1k1x h LEU 105 Cb 0.01 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.04 1k1x h LEU 105 CO -0.00 0.33 -0.45 0.50 -0.34 0.00 0.00 178.44 178.48 1k1x h LYS 106 N 0.00 0.91 -0.19 1.25 3.64 -0.78 -0.97 116.57 120.42 1k1x h LYS 106 Ca -0.00 -0.52 -0.14 0.00 -1.27 0.00 0.00 60.65 58.72 1k1x h LYS 106 Cb 0.97 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.81 1k1x h LYS 106 CO 0.04 1.17 -0.47 0.22 -2.27 0.00 0.00 179.45 178.14 1k1x h ASP 107 N 0.72 0.54 -0.33 4.20 1.82 -0.78 -1.87 116.42 120.71 1k1x h ASP 107 Ca 0.04 -0.26 -0.11 0.00 -0.39 0.00 0.00 57.03 56.31 1k1x h ASP 107 Cb 1.05 -0.15 -0.02 0.00 0.68 0.00 0.00 39.33 40.89 1k1x h ASP 107 CO 0.11 0.93 -0.19 0.22 -1.61 0.00 0.00 179.24 178.70 1k1x h TYR 108 N 0.40 0.90 -0.14 0.28 3.20 -1.05 -1.94 116.97 118.61 1k1x h TYR 108 Ca 0.02 -0.19 -0.07 0.00 3.14 0.00 0.00 58.73 61.63 1k1x h TYR 108 Cb 0.98 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 39.02 1k1x h TYR 108 CO 0.04 0.92 -0.23 0.00 -1.64 0.00 0.00 178.16 177.25 1k1x h ALA 109 N 1.08 1.35 -0.30 1.82 0.00 -0.94 -2.31 119.26 119.97 1k1x h ALA 109 Ca 0.10 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.60 1k1x h ALA 109 Cb 0.70 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1k1x h ALA 109 CO 0.05 0.44 -0.37 -0.09 0.00 0.00 0.00 179.25 179.29 1k1x h ARG 110 N 0.23 0.70 0.00 0.00 2.43 -0.77 -0.48 114.38 116.49 1k1x h ARG 110 Ca 0.04 -0.35 -0.02 0.00 -0.81 0.00 0.00 59.98 58.84 1k1x h ARG 110 Cb 0.53 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1k1x h ARG 110 CO 0.04 0.96 -0.09 0.87 -1.51 0.00 0.00 179.97 180.23 1k1x h LYS 111 N 0.58 0.00 0.00 0.20 1.57 -0.81 -0.55 116.57 117.56 1k1x h LYS 111 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1k1x h LYS 111 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.21 1k1x h LYS 111 CO 0.08 0.09 -0.33 1.28 -0.57 0.00 0.00 179.45 180.01 1k1x n LEU 112 N -3.96 0.66 0.00 2.94 4.77 -0.93 -4.93 117.00 115.55 1k1x n LEU 112 Ca -0.02 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 1k1x n LEU 112 Cb 0.18 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1k1x n LEU 112 CO 0.31 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 1k1x n GLY 113 N 1.36 1.22 3.19 -0.72 0.00 -0.21 -4.44 105.19 105.58 1k1x n GLY 113 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 1k1x n GLY 113 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1k1x s TYR 114 N -2.00 1.95 -0.85 1.61 5.04 -0.23 -4.92 117.35 117.94 1k1x s TYR 114 Ca 0.00 -0.51 -0.18 0.00 -2.44 0.00 0.00 57.07 53.94 1k1x s TYR 114 Cb 0.00 -1.28 0.15 0.00 0.35 0.00 0.00 41.96 41.17 1k1x s TYR 114 CO 0.00 -0.14 0.98 0.34 -1.34 0.00 0.00 175.55 175.39 1k1x s ASP 115 N -0.16 6.60 0.33 4.32 3.68 -1.26 -2.84 116.67 127.33 1k1x s ASP 115 Ca -0.00 -2.10 -0.29 0.00 2.13 0.00 0.00 52.55 52.28 1k1x s ASP 115 Cb -0.11 -2.34 -0.11 0.00 -1.45 0.00 0.00 42.92 38.91 1k1x s ASP 115 CO 0.02 -0.96 1.52 0.00 0.13 0.00 0.00 175.17 175.88 1k1x s ALA 116 N 2.08 3.65 0.00 3.66 0.00 -1.26 -4.91 121.76 124.98 1k1x s ALA 116 Ca 0.26 1.54 0.00 0.00 0.00 0.00 0.00 51.96 53.76 1k1x s ALA 116 Cb -0.09 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.42 1k1x s ALA 116 CO -0.07 -0.98 0.00 1.63 0.00 0.00 0.00 175.76 176.35 1k1x n LYS 117 N 1.40 3.47 -4.37 0.00 4.76 -1.26 -4.89 118.16 117.27 1k1x n LYS 117 Ca 0.05 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.25 1k1x n LYS 117 Cb 0.39 -0.33 -0.08 0.00 -1.84 0.00 0.00 35.03 33.16 1k1x n LYS 117 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1k1x s GLY 118 N -0.58 1.75 0.03 0.72 0.00 -1.26 0.08 107.32 108.06 1k1x s GLY 118 Ca 0.00 -1.73 0.04 0.00 0.00 0.00 0.00 44.72 43.03 1k1x s GLY 118 CO 0.00 -1.81 -0.12 0.14 0.00 0.00 0.00 173.10 171.31 1k1x s VAL 119 N -2.36 0.93 -0.16 1.40 1.01 -0.51 -1.09 120.40 119.63 1k1x s VAL 119 Ca 0.30 -0.91 -0.06 0.00 0.00 0.00 0.00 61.98 61.31 1k1x s VAL 119 Cb -0.06 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 1k1x s VAL 119 CO 0.18 -0.04 0.06 0.86 0.00 0.00 0.00 175.10 176.15 1k1x s TRP 120 N -0.84 3.28 -0.37 5.22 -0.11 0.27 -1.47 118.94 124.92 1k1x s TRP 120 Ca -0.00 0.15 -0.26 0.00 1.22 0.00 0.00 56.10 57.21 1k1x s TRP 120 Cb -0.07 -2.00 0.02 0.00 -1.50 0.00 0.00 33.47 29.91 1k1x s TRP 120 CO 0.01 0.29 0.94 -0.51 -4.62 0.00 0.00 176.95 173.06 1k1x s LEU 121 N -0.06 3.99 0.19 5.86 1.43 -1.26 -4.68 118.68 124.15 1k1x s LEU 121 Ca 0.06 0.60 -0.32 0.00 -1.03 0.00 0.00 54.13 53.45 1k1x s LEU 121 Cb -0.12 -3.28 -0.11 0.00 0.03 0.00 0.00 46.19 42.71 1k1x s LEU 121 CO 0.01 -0.87 1.62 -0.89 0.23 0.00 0.00 176.35 176.46 1k1x s THR 122 N 3.50 2.37 -1.53 5.49 2.01 -1.26 -1.08 115.64 125.14 1k1x s THR 122 Ca 0.39 0.27 0.00 0.00 0.31 0.00 0.00 61.69 62.65 1k1x s THR 122 Cb -0.12 -3.17 0.00 0.00 0.01 0.00 0.00 72.50 69.22 1k1x s THR 122 CO 0.19 0.02 0.00 -0.62 -0.69 0.00 0.00 174.62 173.52 1k1x n GLU 123 N 3.82 -1.43 -1.72 4.92 -0.58 -1.26 -2.51 120.64 121.88 1k1x n GLU 123 Ca 0.14 0.89 -0.19 0.00 -0.42 0.00 0.00 57.16 57.58 1k1x n GLU 123 Cb 0.37 -5.17 -0.07 0.00 -0.57 0.00 0.00 31.44 26.01 1k1x n GLU 123 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1k1x n ARG 124 N -1.75 -1.49 -2.73 3.49 3.00 -0.24 -4.66 116.66 112.27 1k1x n ARG 124 Ca -0.14 1.08 -0.43 0.00 -0.01 0.00 0.00 57.85 58.35 1k1x n ARG 124 Cb 0.52 -5.49 -0.03 0.00 0.00 0.00 0.00 32.46 27.45 1k1x n ARG 124 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1k1x s VAL 125 N -2.68 4.56 -0.10 1.55 1.01 -1.04 -3.87 120.40 119.84 1k1x s VAL 125 Ca 0.00 1.48 -0.01 0.00 0.00 0.00 0.00 61.98 63.45 1k1x s VAL 125 Cb 0.00 -4.36 -0.03 0.00 0.00 0.00 0.00 36.38 31.99 1k1x s VAL 125 CO 0.00 -0.48 -0.05 0.86 0.00 0.00 0.00 175.10 175.43 1k1x s TRP 126 N 3.53 3.01 -0.10 5.22 -0.11 -0.72 -4.84 118.94 124.92 1k1x s TRP 126 Ca 0.41 -0.03 -0.05 0.00 1.22 0.00 0.00 56.10 57.66 1k1x s TRP 126 Cb -0.12 -1.79 0.05 0.00 -1.50 0.00 0.00 33.47 30.10 1k1x s TRP 126 CO 0.16 0.26 0.24 -0.65 -4.62 0.00 0.00 176.95 172.35 1k1x s GLN 127 N -0.51 0.19 0.43 5.86 -0.21 -1.26 -3.61 119.66 120.54 1k1x s GLN 127 Ca 0.08 0.54 0.26 0.00 0.02 0.00 0.00 55.36 56.26 1k1x s GLN 127 Cb -0.12 -0.12 1.30 0.00 1.00 0.00 0.00 33.01 35.07 1k1x s GLN 127 CO 0.02 -0.18 1.71 -1.00 -2.12 0.00 0.00 175.29 173.72 1k1x h PRO 128 N 7.33 0.21 0.00 2.91 0.13 -1.92 -1.45 132.00 139.21 1k1x h PRO 128 Ca -0.38 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1k1x h PRO 128 Cb 1.15 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1k1x h PRO 128 CO 0.35 0.14 0.00 -0.85 -0.23 0.00 0.00 178.00 177.41 1k1x n GLU 129 N -4.59 0.09 0.17 0.86 0.00 -1.26 -2.00 120.64 113.91 1k1x n GLU 129 Ca 0.31 0.59 0.02 0.00 0.00 0.00 0.00 57.16 58.08 1k1x n GLU 129 Cb 1.17 -1.80 0.31 0.00 0.00 0.00 0.00 31.44 31.12 1k1x n GLU 129 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 1k1x h LEU 130 N 0.00 0.00 -0.52 -1.84 3.38 -1.69 -3.20 115.31 111.44 1k1x h LEU 130 Ca 0.00 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.07 1k1x h LEU 130 Cb 0.01 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.67 1k1x h LEU 130 CO 0.00 0.44 0.01 0.58 0.09 0.00 0.00 178.44 179.57 1k1x h VAL 131 N 0.00 0.60 0.36 1.22 2.07 -1.63 0.86 116.25 119.72 1k1x h VAL 131 Ca -0.00 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 1k1x h VAL 131 Cb 0.85 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1k1x h VAL 131 CO 0.06 0.02 -0.17 0.50 0.02 0.00 0.00 177.57 178.00 1k1x h LYS 132 N 0.13 -0.47 -0.32 1.57 1.63 -1.78 -1.59 116.57 115.75 1k1x h LYS 132 Ca 0.27 0.03 0.04 0.00 -0.85 0.00 0.00 60.65 60.14 1k1x h LYS 132 Cb 0.41 0.11 -0.04 0.00 -0.60 0.00 0.00 32.23 32.10 1k1x h LYS 132 CO -0.43 -0.29 0.09 0.77 -3.45 0.00 0.00 179.45 176.15 1k1x h SER 133 N -0.52 0.08 -0.12 4.20 0.02 -1.54 0.20 113.55 115.87 1k1x h SER 133 Ca -0.05 0.04 0.01 0.00 -0.84 0.00 0.00 61.79 60.95 1k1x h SER 133 Cb 0.39 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 1k1x h SER 133 CO 0.08 0.08 0.04 -0.07 -1.14 0.00 0.00 176.83 175.82 1k1x h LEU 134 N 0.22 0.05 -1.11 5.07 3.38 -0.79 -1.71 115.31 120.43 1k1x h LEU 134 Ca 0.15 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 1k1x h LEU 134 Cb 0.14 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1k1x h LEU 134 CO -0.17 0.05 0.17 0.03 0.09 0.00 0.00 178.44 178.61 1k1x h ARG 135 N 0.10 0.80 -0.25 1.13 2.47 -1.01 -1.51 114.38 116.11 1k1x h ARG 135 Ca 0.05 -0.14 -0.05 0.00 -1.26 0.00 0.00 59.98 58.58 1k1x h ARG 135 Cb 0.03 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.20 1k1x h ARG 135 CO -0.05 0.70 -0.06 0.93 0.56 0.00 0.00 179.97 182.04 1k1x h GLU 136 N 0.78 0.39 -0.14 0.04 5.08 -0.57 -1.94 114.58 118.23 1k1x h GLU 136 Ca 0.18 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1k1x h GLU 136 Cb 0.23 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1k1x h GLU 136 CO -0.01 0.47 0.00 0.00 -1.00 0.00 0.00 179.01 178.47 1k1x n ALA 137 N -2.48 2.50 -1.01 3.43 0.00 -0.68 -4.90 120.51 117.38 1k1x n ALA 137 Ca 0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 53.44 53.13 1k1x n ALA 137 Cb 0.26 -1.06 -0.00 0.00 0.00 0.00 0.00 19.45 18.64 1k1x n ALA 137 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k1x n GLY 138 N 0.85 0.41 3.76 0.00 0.00 -0.73 -4.89 105.19 104.58 1k1x n GLY 138 Ca 0.09 -0.94 -0.39 0.00 0.00 0.00 0.00 46.02 44.78 1k1x n GLY 138 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k1x s ILE 139 N -2.01 4.86 -0.15 -0.61 -1.09 -0.66 -4.81 121.20 116.75 1k1x s ILE 139 Ca 0.00 1.35 0.22 0.00 -2.23 0.00 0.00 60.65 59.99 1k1x s ILE 139 Cb 0.00 -3.98 -0.31 0.00 -1.58 0.00 0.00 42.46 36.59 1k1x s ILE 139 CO 0.00 0.40 0.56 -0.62 -1.23 0.00 0.00 174.94 174.05 1k1x n GLU 140 N 2.76 0.58 -3.73 2.79 1.02 0.11 -4.26 120.64 119.92 1k1x n GLU 140 Ca -0.06 -0.16 -0.10 0.00 -0.02 0.00 0.00 57.16 56.82 1k1x n GLU 140 Cb 0.51 -1.53 -0.04 0.00 -0.02 0.00 0.00 31.44 30.36 1k1x n GLU 140 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 1k1x s TYR 141 N -3.45 -0.10 0.01 -0.32 -0.85 -1.01 -2.37 117.35 109.25 1k1x s TYR 141 Ca -0.06 -0.23 0.00 0.00 -0.52 0.00 0.00 57.07 56.26 1k1x s TYR 141 Cb 0.14 0.34 -0.01 0.00 0.38 0.00 0.00 41.96 42.81 1k1x s TYR 141 CO 0.90 -0.86 -0.02 0.54 -1.52 0.00 0.00 175.55 174.59 1k1x s VAL 142 N -3.87 0.10 -0.22 -3.49 0.11 0.83 -1.42 120.40 112.45 1k1x s VAL 142 Ca 0.08 -0.29 -0.17 0.00 -2.93 0.00 0.00 61.98 58.67 1k1x s VAL 142 Cb -0.00 -0.14 -0.03 0.00 -1.53 0.00 0.00 36.38 34.68 1k1x s VAL 142 CO -0.04 -0.12 0.47 -0.69 -3.33 0.00 0.00 175.10 171.39 1k1x s VAL 143 N -0.42 5.13 -0.01 2.04 1.01 -0.55 -0.92 120.40 126.69 1k1x s VAL 143 Ca -0.04 0.84 -0.02 0.00 0.00 0.00 0.00 61.98 62.76 1k1x s VAL 143 Cb -0.03 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.55 1k1x s VAL 143 CO -0.00 0.18 0.05 0.68 0.00 0.00 0.00 175.10 176.01 1k1x s VAL 144 N 1.68 0.03 0.58 2.92 -7.23 -0.28 -3.97 120.40 114.13 1k1x s VAL 144 Ca 0.21 -0.24 -0.20 0.00 -1.81 0.00 0.00 61.98 59.95 1k1x s VAL 144 Cb -0.15 -0.15 -0.04 0.00 0.56 0.00 0.00 36.38 36.60 1k1x s VAL 144 CO 0.09 -0.13 1.27 -1.81 -0.31 0.00 0.00 175.10 174.21 1k1x s ASP 145 N -0.39 5.14 0.50 4.85 1.01 -1.26 -0.30 116.67 126.22 1k1x s ASP 145 Ca -0.04 2.56 0.34 0.00 0.71 0.00 0.00 52.55 56.11 1k1x s ASP 145 Cb -0.03 -2.62 1.73 0.00 1.01 0.00 0.00 42.92 43.01 1k1x s ASP 145 CO 0.00 -1.64 2.03 -2.24 0.21 0.00 0.00 175.17 173.53 1k1x h ASP 146 N 1.08 0.00 -0.93 0.27 3.04 -1.71 -2.00 116.42 116.18 1k1x h ASP 146 Ca -0.51 0.00 0.20 0.00 -3.24 0.00 0.00 57.03 53.49 1k1x h ASP 146 Cb 1.30 0.00 -0.11 0.00 -1.04 0.00 0.00 39.33 39.48 1k1x h ASP 146 CO 0.56 0.00 0.48 0.22 -2.04 0.00 0.00 179.24 178.46 1k1x h TYR 147 N 0.00 0.83 -0.09 4.15 3.20 -1.89 0.28 116.97 123.45 1k1x h TYR 147 Ca 0.00 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 1k1x h TYR 147 Cb 0.12 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.17 1k1x h TYR 147 CO 0.00 0.08 -0.01 0.45 -1.64 0.00 0.00 178.16 177.04 1k1x h HIS 148 N 0.55 0.18 -0.53 -3.82 3.86 -1.68 -2.11 115.15 111.61 1k1x h HIS 148 Ca 0.56 -0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.71 1k1x h HIS 148 Cb 0.97 -0.05 -0.03 0.00 1.06 0.00 0.00 27.41 29.37 1k1x h HIS 148 CO -0.08 0.45 0.24 0.74 0.86 0.00 0.00 177.93 180.14 1k1x h PHE 149 N -0.13 0.74 -0.14 2.45 -1.00 -1.25 -2.16 116.94 115.45 1k1x h PHE 149 Ca 0.02 -0.02 -0.12 0.00 2.81 0.00 0.00 57.97 60.66 1k1x h PHE 149 Cb 0.38 -0.23 -0.01 0.00 3.61 0.00 0.00 35.95 39.69 1k1x h PHE 149 CO 0.04 0.56 -0.45 0.52 -1.61 0.00 0.00 178.31 177.36 1k1x h MET 150 N 0.75 0.33 -0.29 1.51 2.86 -0.42 -1.98 114.93 117.69 1k1x h MET 150 Ca 0.18 -0.17 -0.09 0.00 -2.06 0.00 0.00 59.70 57.56 1k1x h MET 150 Cb 0.10 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 1k1x h MET 150 CO -0.02 0.72 -0.20 0.77 1.06 0.00 0.00 176.91 179.24 1k1x h SER 151 N 0.27 0.52 0.42 1.22 0.02 -0.89 -1.61 113.55 113.49 1k1x h SER 151 Ca 0.02 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1k1x h SER 151 Cb 0.91 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 63.31 1k1x h SER 151 CO 0.08 0.73 -0.01 0.00 -1.14 0.00 0.00 176.83 176.48 1k1x h ALA 152 N 1.32 1.03 0.00 3.77 0.00 -0.77 -3.46 119.26 121.16 1k1x h ALA 152 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1k1x h ALA 152 Cb 0.61 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1k1x h ALA 152 CO 0.04 0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.72 1k1x n GLY 153 N -0.63 1.19 3.82 0.00 0.00 -0.61 -5.08 105.19 103.88 1k1x n GLY 153 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 1k1x n GLY 153 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k1x s LEU 154 N 0.00 4.32 0.37 0.99 2.01 -0.82 -5.01 118.68 120.53 1k1x s LEU 154 Ca 0.00 1.42 -0.04 0.00 0.01 0.00 0.00 54.13 55.52 1k1x s LEU 154 Cb 0.00 -3.65 -0.04 0.00 0.01 0.00 0.00 46.19 42.51 1k1x s LEU 154 CO 0.00 0.01 0.63 -0.94 1.01 0.00 0.00 176.35 177.06 1k1x s SER 155 N -1.71 6.36 0.26 2.29 1.04 -1.26 -4.20 113.70 116.49 1k1x s SER 155 Ca 0.44 0.74 -0.02 0.00 0.48 0.00 0.00 55.95 57.59 1k1x s SER 155 Cb -0.16 -2.16 0.47 0.00 0.10 0.00 0.00 66.02 64.27 1k1x s SER 155 CO 0.21 -0.34 1.81 0.50 0.98 0.00 0.00 173.24 176.39 1k1x h LYS 156 N 1.00 0.79 0.00 4.02 1.63 -1.98 -1.61 116.57 120.42 1k1x h LYS 156 Ca -0.48 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.27 1k1x h LYS 156 Cb 1.20 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 32.65 1k1x h LYS 156 CO 0.63 0.52 0.00 0.93 -3.45 0.00 0.00 179.45 178.09 1k1x h GLU 157 N 0.81 0.00 -0.01 1.90 4.39 -2.05 0.18 114.58 119.80 1k1x h GLU 157 Ca 0.44 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.14 1k1x h GLU 157 Cb 0.46 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 1k1x h GLU 157 CO -0.28 0.00 -0.49 0.39 -1.16 0.00 0.00 179.01 177.47 1k1x n GLU 158 N -2.44 0.63 -1.08 2.33 1.02 -0.61 -4.44 120.64 116.06 1k1x n GLU 158 Ca -0.02 -0.45 -0.23 0.00 -0.02 0.00 0.00 57.16 56.45 1k1x n GLU 158 Cb 0.04 -1.49 0.13 0.00 -0.02 0.00 0.00 31.44 30.11 1k1x n GLU 158 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1k1x n LEU 159 N -0.79 6.46 -1.69 -4.62 4.77 0.05 -4.40 117.00 116.77 1k1x n LEU 159 Ca 0.09 -3.46 -0.17 0.00 -0.03 0.00 0.00 56.01 52.44 1k1x n LEU 159 Cb 0.38 -0.84 0.12 0.00 -2.33 0.00 0.00 43.42 40.75 1k1x n LEU 159 CO 0.31 1.07 0.71 0.49 -1.33 0.00 0.00 177.39 178.63 1k1x n PHE 160 N -0.83 2.08 -3.62 -1.77 3.01 -1.26 -4.80 117.46 110.27 1k1x n PHE 160 Ca 0.52 -2.09 -0.16 0.00 1.01 0.00 0.00 57.45 56.73 1k1x n PHE 160 Cb 1.31 -0.65 -0.07 0.00 -0.01 0.00 0.00 39.48 40.05 1k1x n PHE 160 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 1k1x s TRP 161 N -3.48 -0.54 0.78 1.38 0.51 -1.26 -0.52 118.94 115.81 1k1x s TRP 161 Ca 0.51 1.02 -0.12 0.00 -2.12 0.00 0.00 56.10 55.39 1k1x s TRP 161 Cb 0.43 0.29 0.06 0.00 -0.81 0.00 0.00 33.47 33.43 1k1x s TRP 161 CO 0.01 -0.49 1.11 -1.25 -0.51 0.00 0.00 176.95 175.82 1k1x s PRO 162 N -0.88 2.27 0.31 4.98 0.04 -1.26 -4.67 135.00 135.80 1k1x s PRO 162 Ca -0.09 0.52 0.03 0.00 0.04 0.00 0.00 61.00 61.50 1k1x s PRO 162 Cb -0.02 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.52 1k1x s PRO 162 CO 0.06 -1.46 0.10 0.71 0.04 0.00 0.00 177.00 176.45 1k1x s TYR 163 N -3.26 1.73 0.22 0.56 1.51 -0.50 -1.70 117.35 115.91 1k1x s TYR 163 Ca 0.60 -1.15 0.05 0.00 -1.01 0.00 0.00 57.07 55.57 1k1x s TYR 163 Cb -0.13 -1.06 -0.03 0.00 -0.11 0.00 0.00 41.96 40.62 1k1x s TYR 163 CO 0.53 -0.24 0.27 0.71 -1.11 0.00 0.00 175.55 175.71 1k1x s TYR 164 N -3.50 3.31 -0.08 2.71 4.12 0.20 -0.54 117.35 123.57 1k1x s TYR 164 Ca 0.35 -0.03 -0.13 0.00 0.02 0.00 0.00 57.07 57.28 1k1x s TYR 164 Cb 0.07 -1.52 0.03 0.00 -1.52 0.00 0.00 41.96 39.01 1k1x s TYR 164 CO 0.15 0.49 0.32 -0.08 0.02 0.00 0.00 175.55 176.45 1k1x s THR 165 N -1.96 0.02 0.13 -0.71 -1.32 -0.91 -0.97 115.64 109.92 1k1x s THR 165 Ca 0.33 -0.20 0.05 0.00 -1.21 0.00 0.00 61.69 60.66 1k1x s THR 165 Cb -0.09 -0.52 -0.04 0.00 -1.51 0.00 0.00 72.50 70.34 1k1x s THR 165 CO 0.27 -0.11 -0.11 -1.83 -2.21 0.00 0.00 174.62 170.63 1k1x s GLU 166 N -0.43 0.99 -0.21 7.08 4.04 -1.26 -1.82 118.70 127.09 1k1x s GLU 166 Ca -0.05 -1.32 -0.28 0.00 0.04 0.00 0.00 54.97 53.35 1k1x s GLU 166 Cb -0.04 -0.65 0.12 0.00 0.02 0.00 0.00 34.13 33.59 1k1x s GLU 166 CO 0.02 0.10 1.01 0.34 -1.84 0.00 0.00 175.26 174.89 1k1x s ASP 167 N -2.82 -0.41 -1.41 0.83 -1.08 -0.34 -4.91 116.67 106.54 1k1x s ASP 167 Ca 0.12 0.62 0.00 0.00 -0.52 0.00 0.00 52.55 52.77 1k1x s ASP 167 Cb -0.01 0.57 0.00 0.00 -1.46 0.00 0.00 42.92 42.02 1k1x s ASP 167 CO 0.01 -0.26 0.00 0.61 0.52 0.00 0.00 175.17 176.05 1k1x n GLY 168 N 1.42 1.33 2.35 2.66 0.00 -1.26 -1.84 105.19 109.86 1k1x n GLY 168 Ca -0.11 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1k1x n GLY 168 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k1x n GLY 169 N -0.56 3.06 3.93 -0.02 0.00 -1.26 -5.02 105.19 105.32 1k1x n GLY 169 Ca -0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.63 1k1x n GLY 169 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k1x s GLU 170 N -0.29 3.54 0.26 1.61 2.02 -0.77 -5.07 118.70 120.01 1k1x s GLU 170 Ca 0.00 -0.17 0.10 0.00 0.02 0.00 0.00 54.97 54.91 1k1x s GLU 170 Cb 0.00 -2.64 -0.05 0.00 0.10 0.00 0.00 34.13 31.54 1k1x s GLU 170 CO 0.00 0.15 -0.15 0.14 0.02 0.00 0.00 175.26 175.42 1k1x s VAL 171 N -2.25 2.10 0.05 2.63 -7.23 -1.26 -1.20 120.40 113.24 1k1x s VAL 171 Ca 0.42 -2.28 -0.12 0.00 -1.81 0.00 0.00 61.98 58.18 1k1x s VAL 171 Cb -0.10 -2.28 0.01 0.00 0.56 0.00 0.00 36.38 34.58 1k1x s VAL 171 CO 0.34 -0.43 0.26 -0.51 -0.31 0.00 0.00 175.10 174.46 1k1x s ILE 172 N -2.74 0.10 0.13 -0.62 2.07 -0.75 -4.97 121.20 114.41 1k1x s ILE 172 Ca 0.28 -0.79 -0.21 0.00 -1.41 0.00 0.00 60.65 58.52 1k1x s ILE 172 Cb -0.02 -0.96 -0.07 0.00 0.13 0.00 0.00 42.46 41.54 1k1x s ILE 172 CO 0.12 -0.43 0.66 -0.89 -1.91 0.00 0.00 174.94 172.49 1k1x s THR 173 N -2.68 4.58 -0.07 4.00 2.01 -1.00 -2.14 115.64 120.35 1k1x s THR 173 Ca -0.04 1.39 0.01 0.00 0.31 0.00 0.00 61.69 63.36 1k1x s THR 173 Cb -0.00 -3.97 0.02 0.00 0.01 0.00 0.00 72.50 68.55 1k1x s THR 173 CO -0.04 0.49 -0.09 0.68 -0.69 0.00 0.00 174.62 174.96 1k1x s VAL 174 N -1.19 0.93 -0.27 3.82 -7.23 0.30 -0.12 120.40 116.64 1k1x s VAL 174 Ca 0.34 -0.33 -0.10 0.00 -1.81 0.00 0.00 61.98 60.07 1k1x s VAL 174 Cb -0.20 -0.89 -0.05 0.00 0.56 0.00 0.00 36.38 35.80 1k1x s VAL 174 CO 0.22 0.32 0.16 -0.36 -0.31 0.00 0.00 175.10 175.13 1k1x s PHE 175 N 0.94 3.20 0.20 2.82 0.40 -0.10 -1.41 117.98 124.04 1k1x s PHE 175 Ca -0.10 0.02 -0.30 0.00 -0.60 0.00 0.00 56.93 55.95 1k1x s PHE 175 Cb -0.15 -2.34 -0.08 0.00 0.51 0.00 0.00 43.02 40.97 1k1x s PHE 175 CO 0.00 -0.17 1.05 -1.25 0.70 0.00 0.00 175.22 175.55 1k1x s PRO 176 N 1.64 4.67 -0.24 0.24 0.04 -1.24 -1.12 135.00 138.99 1k1x s PRO 176 Ca 0.07 1.65 -0.14 0.00 0.04 0.00 0.00 61.00 62.62 1k1x s PRO 176 Cb -0.16 -3.27 -0.04 0.00 0.04 0.00 0.00 34.50 31.07 1k1x s PRO 176 CO 0.09 0.21 0.33 0.42 0.04 0.00 0.00 177.00 178.09 1k1x s ILE 177 N -0.58 5.23 0.02 0.56 1.01 0.58 -4.47 121.20 123.56 1k1x s ILE 177 Ca 0.46 0.51 -0.30 0.00 0.00 0.00 0.00 60.65 61.33 1k1x s ILE 177 Cb -0.28 -3.66 -0.08 0.00 0.01 0.00 0.00 42.46 38.45 1k1x s ILE 177 CO 0.35 0.23 1.88 -0.62 0.00 0.00 0.00 174.94 176.78 1k1x s ASP 178 N 1.35 6.50 0.17 3.58 -1.08 -0.43 -2.00 116.67 124.76 1k1x s ASP 178 Ca 0.14 2.58 -0.11 0.00 -0.52 0.00 0.00 52.55 54.65 1k1x s ASP 178 Cb -0.15 -2.53 0.06 0.00 -1.46 0.00 0.00 42.92 38.84 1k1x s ASP 178 CO 0.08 -1.02 1.66 -0.08 0.52 0.00 0.00 175.17 176.34 1k1x h GLU 179 N 10.19 0.99 -0.64 4.34 4.81 -1.96 -3.14 114.58 129.17 1k1x h GLU 179 Ca -0.47 -0.27 -0.00 0.00 -0.13 0.00 0.00 59.36 58.49 1k1x h GLU 179 Cb 1.22 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.46 1k1x h GLU 179 CO 0.94 0.93 0.39 -0.22 -0.73 0.00 0.00 179.01 180.33 1k1x h LYS 180 N 0.89 0.87 -0.13 1.92 3.64 -1.97 -2.38 116.57 119.40 1k1x h LYS 180 Ca 0.18 -0.08 0.04 0.00 -1.27 0.00 0.00 60.65 59.52 1k1x h LYS 180 Cb 0.43 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1k1x h LYS 180 CO 0.01 0.61 0.10 -0.07 -2.27 0.00 0.00 179.45 177.83 1k1x h LEU 181 N 0.87 0.00 -1.07 5.20 3.38 -1.90 -0.52 115.31 121.27 1k1x h LEU 181 Ca 0.23 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.10 1k1x h LEU 181 Cb -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1k1x h LEU 181 CO -0.04 0.00 -0.44 0.03 0.09 0.00 0.00 178.44 178.07 1k1x h ARG 182 N 0.00 0.05 0.06 1.13 3.08 -1.44 0.36 114.38 117.63 1k1x h ARG 182 Ca 0.06 -0.03 -0.24 0.00 0.07 0.00 0.00 59.98 59.85 1k1x h ARG 182 Cb 0.26 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 1k1x h ARG 182 CO -0.00 0.49 -1.08 -0.92 -1.07 0.00 0.00 179.97 177.39 1k1x h TYR 183 N 0.04 0.27 0.16 3.04 3.20 -1.11 -3.35 116.97 119.22 1k1x h TYR 183 Ca 0.00 -0.19 -0.29 0.00 3.14 0.00 0.00 58.73 61.39 1k1x h TYR 183 Cb 0.80 -0.01 0.02 0.00 1.54 0.00 0.00 36.73 39.07 1k1x h TYR 183 CO 0.00 1.12 -1.29 -0.07 -1.64 0.00 0.00 178.16 176.28 1k1x h LEU 184 N 0.05 0.60 -8.69 2.82 3.38 -1.04 -3.37 115.31 109.06 1k1x h LEU 184 Ca -0.07 -0.62 -0.65 0.00 0.09 0.00 0.00 57.88 56.63 1k1x h LEU 184 Cb 1.81 -0.19 -0.22 0.00 0.09 0.00 0.00 40.66 42.15 1k1x h LEU 184 CO 0.16 1.47 -0.61 -0.63 0.09 0.00 0.00 178.44 178.92 1k1x s ILE 185 N -2.72 4.43 -0.55 1.22 1.01 0.09 -1.31 121.20 123.38 1k1x s ILE 185 Ca -0.06 -0.13 0.14 0.00 0.00 0.00 0.00 60.65 60.59 1k1x s ILE 185 Cb 0.06 -3.07 0.42 0.00 0.01 0.00 0.00 42.46 39.88 1k1x s ILE 185 CO 0.91 0.34 1.34 -0.81 0.00 0.00 0.00 174.94 176.71 1k1x n PRO 186 N 4.86 2.92 0.10 2.79 -0.04 -1.26 -4.68 135.00 139.68 1k1x n PRO 186 Ca -0.16 -2.44 0.02 0.00 -0.04 0.00 0.00 63.50 60.88 1k1x n PRO 186 Cb 0.52 -1.56 0.38 0.00 -0.04 0.00 0.00 33.50 32.80 1k1x n PRO 186 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1k1x h PHE 187 N 1.92 0.30 -1.90 0.54 0.04 -1.75 -3.45 116.94 112.63 1k1x h PHE 187 Ca 0.00 -0.03 -0.44 0.00 2.80 0.00 0.00 57.97 60.30 1k1x h PHE 187 Cb 1.09 -0.09 0.02 0.00 2.20 0.00 0.00 35.95 39.17 1k1x h PHE 187 CO 0.37 0.39 -0.26 1.03 -0.60 0.00 0.00 178.31 179.23 1k1x s ARG 188 N -4.80 2.99 0.33 1.51 1.81 -0.43 -5.06 118.95 115.30 1k1x s ARG 188 Ca -0.06 -0.98 -0.29 0.00 -1.72 0.00 0.00 55.73 52.68 1k1x s ARG 188 Cb 0.15 -2.74 -0.12 0.00 -0.45 0.00 0.00 34.95 31.80 1k1x s ARG 188 CO 0.74 -0.14 1.49 -2.30 -0.68 0.00 0.00 175.30 174.41 1k1x n PRO 189 N -1.82 2.53 -0.31 3.54 -0.02 -1.26 -4.83 135.00 132.83 1k1x n PRO 189 Ca 0.03 0.89 0.14 0.00 -2.02 0.00 0.00 63.50 62.54 1k1x n PRO 189 Cb 0.58 -2.61 0.29 0.00 -0.02 0.00 0.00 33.50 31.74 1k1x n PRO 189 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1k1x h VAL 190 N 3.05 0.21 0.00 -1.45 2.07 -1.92 0.15 116.25 118.36 1k1x h VAL 190 Ca -0.48 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 1k1x h VAL 190 Cb 1.25 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1k1x h VAL 190 CO 0.71 0.02 -0.06 0.07 0.02 0.00 0.00 177.57 178.33 1k1x h LYS 191 N 0.12 0.00 -0.54 1.57 5.09 -1.98 -1.79 116.57 119.04 1k1x h LYS 191 Ca 0.57 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 61.30 1k1x h LYS 191 Cb 1.17 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 33.47 1k1x h LYS 191 CO -0.75 0.06 0.31 -0.22 -2.09 0.00 0.00 179.45 176.76 1k1x h LYS 192 N 0.00 0.73 0.07 0.07 1.63 -1.04 0.25 116.57 118.28 1k1x h LYS 192 Ca -0.00 -0.07 -0.28 0.00 -0.85 0.00 0.00 60.65 59.45 1k1x h LYS 192 Cb 0.13 -0.15 0.03 0.00 -0.60 0.00 0.00 32.23 31.63 1k1x h LYS 192 CO 0.01 0.53 -1.16 1.15 -3.45 0.00 0.00 179.45 176.53 1k1x h THR 193 N 0.74 1.28 -0.61 1.00 2.02 -1.39 -2.68 112.91 113.27 1k1x h THR 193 Ca 0.19 -2.38 -0.04 0.00 0.77 0.00 0.00 66.41 64.96 1k1x h THR 193 Cb -0.00 2.56 -0.03 0.00 -1.74 0.00 0.00 68.15 68.94 1k1x h THR 193 CO -0.03 0.73 0.23 0.40 0.37 0.00 0.00 175.52 177.22 1k1x h ILE 194 N 0.33 1.23 0.01 3.11 1.08 -1.06 -1.69 117.51 120.53 1k1x h ILE 194 Ca -0.16 -0.75 -0.00 0.00 -0.39 0.00 0.00 64.86 63.56 1k1x h ILE 194 Cb 1.82 0.58 0.00 0.00 -3.07 0.00 0.00 36.82 36.14 1k1x h ILE 194 CO 0.22 0.29 -0.01 -0.33 -0.69 0.00 0.00 178.15 177.64 1k1x h GLU 195 N 0.86 -0.02 -0.37 2.37 5.08 -0.57 -0.70 114.58 121.23 1k1x h GLU 195 Ca 0.20 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.62 1k1x h GLU 195 Cb 0.22 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.42 1k1x h GLU 195 CO -0.01 0.06 0.05 -0.92 -1.00 0.00 0.00 179.01 177.19 1k1x h TYR 196 N -0.10 0.08 -0.26 4.33 3.20 -1.29 -1.30 116.97 121.63 1k1x h TYR 196 Ca -0.00 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 1k1x h TYR 196 Cb 0.09 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 1k1x h TYR 196 CO -0.05 -0.01 0.07 -0.07 -1.64 0.00 0.00 178.16 176.46 1k1x h LEU 197 N 0.17 0.39 -2.06 2.82 3.38 -1.18 -2.42 115.31 116.41 1k1x h LEU 197 Ca 0.18 -0.23 0.07 0.00 0.09 0.00 0.00 57.88 57.99 1k1x h LEU 197 Cb 0.22 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1k1x h LEU 197 CO -0.25 0.51 0.18 -0.33 0.09 0.00 0.00 178.44 178.64 1k1x h GLU 198 N 0.25 0.00 0.00 1.13 5.08 -0.85 0.14 114.58 120.33 1k1x h GLU 198 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1k1x h GLU 198 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1k1x h GLU 198 CO 0.00 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.67 1k1x h SER 199 N 0.00 0.00 0.73 1.42 4.64 -0.74 -2.94 113.55 116.66 1k1x h SER 199 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1k1x h SER 199 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1k1x h SER 199 CO -0.00 0.00 -0.34 0.18 -0.87 0.00 0.00 176.83 175.80 1k1x n LEU 200 N -3.01 0.37 -4.22 5.97 4.77 0.47 -4.96 117.00 116.39 1k1x n LEU 200 Ca 0.02 0.20 -0.41 0.00 -0.03 0.00 0.00 56.01 55.79 1k1x n LEU 200 Cb 0.38 -0.32 -0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1k1x n LEU 200 CO 0.29 0.06 -0.45 0.41 -1.33 0.00 0.00 177.39 176.37 1k1x n THR 201 N -1.59 0.57 -3.84 -5.08 -1.04 -1.11 -4.91 114.28 97.29 1k1x n THR 201 Ca 0.06 -0.49 -0.06 0.00 -2.04 0.00 0.00 64.05 61.51 1k1x n THR 201 Cb 0.35 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 68.88 1k1x n THR 201 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1k1x s SER 202 N -0.98 -0.02 0.11 8.00 0.01 -1.13 -4.95 113.70 114.74 1k1x s SER 202 Ca 0.58 -0.91 0.09 0.00 1.31 0.00 0.00 55.95 57.02 1k1x s SER 202 Cb -0.61 0.70 -0.18 0.00 0.21 0.00 0.00 66.02 66.13 1k1x s SER 202 CO 0.62 -1.37 1.18 -2.24 0.41 0.00 0.00 173.24 171.84 1k1x h ASP 203 N 2.00 0.00 -2.56 2.44 2.03 -1.95 -2.96 116.42 115.42 1k1x h ASP 203 Ca -0.29 0.00 -0.58 0.00 -0.73 0.00 0.00 57.03 55.43 1k1x h ASP 203 Cb 1.24 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.71 1k1x h ASP 203 CO 0.37 0.94 1.30 -0.62 -1.03 0.00 0.00 179.24 180.21 1k1x s ASP 204 N -6.56 5.82 0.00 4.15 2.15 -1.26 -4.86 116.67 116.11 1k1x s ASP 204 Ca 0.00 1.36 0.17 0.00 0.43 0.00 0.00 52.55 54.51 1k1x s ASP 204 Cb 0.09 -2.52 0.99 0.00 -0.30 0.00 0.00 42.92 41.18 1k1x s ASP 204 CO 0.81 -1.76 1.40 -0.81 -0.17 0.00 0.00 175.17 174.65 1k1x n PRO 205 N 8.48 0.57 0.00 4.34 -0.04 -1.26 -2.99 135.00 144.10 1k1x n PRO 205 Ca 0.24 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.75 1k1x n PRO 205 Cb 0.47 -1.46 -0.01 0.00 -0.04 0.00 0.00 33.50 32.46 1k1x n PRO 205 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1k1x n SER 206 N -0.96 1.21 -4.77 3.54 3.41 -1.26 -4.86 113.62 109.93 1k1x n SER 206 Ca 0.12 -1.11 -0.41 0.00 -0.26 0.00 0.00 58.87 57.22 1k1x n SER 206 Cb 0.06 0.53 -0.01 0.00 -0.26 0.00 0.00 64.21 64.52 1k1x n SER 206 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1k1x s LYS 207 N -1.52 4.14 -0.00 4.33 2.20 -1.16 -4.85 119.74 122.87 1k1x s LYS 207 Ca 0.09 2.54 -0.07 0.00 -0.36 0.00 0.00 55.97 58.17 1k1x s LYS 207 Cb 0.09 -3.00 0.00 0.00 -1.51 0.00 0.00 37.83 33.42 1k1x s LYS 207 CO 0.30 -0.53 0.13 0.54 -0.36 0.00 0.00 175.35 175.43 1k1x s VAL 208 N -0.79 0.07 -0.07 4.02 0.11 0.32 -2.05 120.40 122.01 1k1x s VAL 208 Ca 0.55 -0.61 0.05 0.00 -2.93 0.00 0.00 61.98 59.04 1k1x s VAL 208 Cb -0.46 -0.40 -0.01 0.00 -1.53 0.00 0.00 36.38 33.98 1k1x s VAL 208 CO 0.58 -0.34 -0.21 0.00 -3.33 0.00 0.00 175.10 171.80 1k1x s ALA 209 N -1.20 2.34 -0.11 1.54 0.00 -0.08 -4.22 121.76 120.04 1k1x s ALA 209 Ca -0.13 -1.01 0.03 0.00 0.00 0.00 0.00 51.96 50.86 1k1x s ALA 209 Cb -0.07 -0.82 0.00 0.00 0.00 0.00 0.00 23.12 22.24 1k1x s ALA 209 CO 0.01 0.42 -0.22 0.08 0.00 0.00 0.00 175.76 176.05 1k1x s VAL 210 N -0.21 1.94 -0.11 0.00 1.01 -1.26 -1.80 120.40 119.96 1k1x s VAL 210 Ca -0.01 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.04 1k1x s VAL 210 Cb -0.13 -1.69 -0.02 0.00 0.00 0.00 0.00 36.38 34.54 1k1x s VAL 210 CO 0.03 0.53 -0.13 0.12 0.00 0.00 0.00 175.10 175.65 1k1x s PHE 211 N 0.51 2.78 -0.29 5.22 5.36 -0.22 -1.31 117.98 130.03 1k1x s PHE 211 Ca -0.15 -0.55 0.02 0.00 -0.96 0.00 0.00 56.93 55.29 1k1x s PHE 211 Cb -0.17 -1.80 0.20 0.00 -0.34 0.00 0.00 43.02 40.91 1k1x s PHE 211 CO 0.06 -0.13 0.67 -1.58 -1.46 0.00 0.00 175.22 172.78 1k1x s HIS 212 N 0.12 -1.59 0.37 10.12 2.46 -1.25 -0.60 115.29 124.92 1k1x s HIS 212 Ca -0.06 1.04 0.06 0.00 0.47 0.00 0.00 55.06 56.57 1k1x s HIS 212 Cb -0.15 0.31 -0.02 0.00 -0.13 0.00 0.00 32.58 32.59 1k1x s HIS 212 CO 0.05 -0.92 0.23 0.34 -2.47 0.00 0.00 174.74 171.97 1k1x s ASP 213 N 2.86 2.23 0.27 9.88 -1.08 -1.20 -4.96 116.67 124.66 1k1x s ASP 213 Ca 0.14 -1.77 -0.31 0.00 -0.52 0.00 0.00 52.55 50.09 1k1x s ASP 213 Cb -0.09 0.59 -0.12 0.00 -1.46 0.00 0.00 42.92 41.83 1k1x s ASP 213 CO -0.24 -1.05 1.51 0.47 0.52 0.00 0.00 175.17 176.38 1k1x n ASP 214 N -1.57 3.34 0.25 -0.34 8.00 -1.26 -1.19 116.55 123.78 1k1x n ASP 214 Ca 0.02 1.14 0.13 0.00 0.71 0.00 0.00 54.79 56.80 1k1x n ASP 214 Cb 0.63 -1.51 0.59 0.00 -0.02 0.00 0.00 41.12 40.80 1k1x n ASP 214 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1k1x h GLY 215 N 4.55 0.00 2.00 0.44 0.00 -0.29 -2.89 103.07 106.87 1k1x h GLY 215 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1k1x h GLY 215 CO 0.78 0.00 0.00 1.18 0.00 0.00 0.00 176.54 178.50 1k1x n GLU 216 N -3.31 0.17 0.26 4.80 4.71 -1.26 -1.79 120.64 124.23 1k1x n GLU 216 Ca -0.00 0.50 0.13 0.00 -0.01 0.00 0.00 57.16 57.78 1k1x n GLU 216 Cb 0.36 -1.90 0.70 0.00 -1.01 0.00 0.00 31.44 29.58 1k1x n GLU 216 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 1k1x h LYS 217 N 0.00 0.00 -2.51 3.49 1.57 -1.89 -1.21 116.57 116.01 1k1x h LYS 217 Ca 0.00 0.00 -0.78 0.00 -1.87 0.00 0.00 60.65 58.00 1k1x h LYS 217 Cb 0.23 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 32.34 1k1x h LYS 217 CO 0.00 0.13 1.60 1.19 -0.57 0.00 0.00 179.45 181.80 1k1x n PHE 218 N -3.53 2.67 0.00 -1.35 3.01 -0.74 -4.63 117.46 112.90 1k1x n PHE 218 Ca -0.01 -2.67 0.00 0.00 1.01 0.00 0.00 57.45 55.77 1k1x n PHE 218 Cb 0.27 -1.49 0.00 0.00 -0.01 0.00 0.00 39.48 38.25 1k1x n PHE 218 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1k1x n GLY 219 N 0.88 4.33 0.08 1.37 0.00 -1.23 -4.33 105.19 106.30 1k1x n GLY 219 Ca 0.51 -0.77 -0.14 0.00 0.00 0.00 0.00 46.02 45.62 1k1x n GLY 219 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1k1x h VAL 220 N 0.00 1.18 -2.84 1.61 2.07 -1.42 -3.18 116.25 113.68 1k1x h VAL 220 Ca 0.00 -2.03 -0.59 0.00 0.82 0.00 0.00 66.70 64.90 1k1x h VAL 220 Cb 0.00 2.37 0.16 0.00 -1.52 0.00 0.00 31.29 32.30 1k1x h VAL 220 CO 0.00 0.40 -0.28 0.79 0.02 0.00 0.00 177.57 178.50 1k1x n TRP 221 N -4.58 -0.27 -1.48 1.57 7.02 -0.67 -4.73 117.44 114.30 1k1x n TRP 221 Ca -0.15 0.50 -0.63 0.00 -1.02 0.00 0.00 57.50 56.20 1k1x n TRP 221 Cb 0.46 -2.02 -0.11 0.00 -2.42 0.00 0.00 31.31 27.22 1k1x n TRP 221 CO 0.00 0.00 0.00 -2.30 -2.02 0.00 0.00 177.69 173.37 1k1x n PRO 222 N 0.10 0.00 -1.10 -0.99 -0.02 -1.26 -1.29 135.00 130.44 1k1x n PRO 222 Ca 0.11 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.56 1k1x n PRO 222 Cb 0.44 -1.49 -0.02 0.00 -0.02 0.00 0.00 33.50 32.42 1k1x n PRO 222 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1k1x n GLY 223 N 5.79 0.57 0.12 -1.23 0.00 -1.26 -4.90 105.19 104.27 1k1x n GLY 223 Ca 0.43 -0.19 0.07 0.00 0.00 0.00 0.00 46.02 46.33 1k1x n GLY 223 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1k1x h THR 224 N 0.00 0.23 -0.45 2.61 1.35 -1.45 -3.17 112.91 112.04 1k1x h THR 224 Ca -0.07 -1.44 -0.12 0.00 -0.55 0.00 0.00 66.41 64.23 1k1x h THR 224 Cb 0.56 1.79 -0.01 0.00 -1.73 0.00 0.00 68.15 68.75 1k1x h THR 224 CO 0.11 0.13 -0.22 0.22 -0.25 0.00 0.00 175.52 175.51 1k1x h TYR 225 N 0.00 1.03 -0.18 4.73 3.20 -1.74 0.18 116.97 124.19 1k1x h TYR 225 Ca -0.06 -0.24 -0.16 0.00 3.14 0.00 0.00 58.73 61.41 1k1x h TYR 225 Cb 1.24 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 39.27 1k1x h TYR 225 CO 0.00 1.03 -0.52 1.49 -1.64 0.00 0.00 178.16 178.52 1k1x h GLU 226 N 0.78 0.67 -0.19 1.82 4.81 -1.90 -1.45 114.58 119.11 1k1x h GLU 226 Ca 0.10 -0.48 -0.19 0.00 -0.13 0.00 0.00 59.36 58.66 1k1x h GLU 226 Cb 0.77 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.23 1k1x h GLU 226 CO 0.06 1.10 -0.65 2.35 -0.73 0.00 0.00 179.01 181.14 1k1x h TRP 227 N 0.36 0.93 0.16 0.92 2.91 -1.51 0.13 115.95 119.85 1k1x h TRP 227 Ca -0.01 -0.37 -0.28 0.00 1.13 0.00 0.00 58.89 59.35 1k1x h TRP 227 Cb 1.14 -0.16 0.01 0.00 -0.51 0.00 0.00 29.16 29.64 1k1x h TRP 227 CO 0.09 1.17 -1.38 0.28 -1.03 0.00 0.00 178.44 177.57 1k1x h VAL 228 N 0.52 1.14 0.00 2.65 2.07 -0.70 -3.14 116.25 118.79 1k1x h VAL 228 Ca -0.02 -2.50 -0.34 0.00 0.82 0.00 0.00 66.70 64.67 1k1x h VAL 228 Cb 1.25 2.87 -0.05 0.00 -1.52 0.00 0.00 31.29 33.84 1k1x h VAL 228 CO 0.13 0.76 -2.14 -1.22 0.02 0.00 0.00 177.57 175.12 1k1x n TYR 229 N -3.86 0.00 -0.01 1.57 4.02 -0.59 -2.40 117.16 115.89 1k1x n TYR 229 Ca -0.22 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.68 1k1x n TYR 229 Cb 0.95 -0.73 0.32 0.00 -0.02 0.00 0.00 39.34 39.86 1k1x n TYR 229 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 1k1x h GLU 230 N -0.66 0.56 -0.24 -0.72 5.08 -1.28 -2.69 114.58 114.64 1k1x h GLU 230 Ca -0.51 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 57.76 1k1x h GLU 230 Cb 1.47 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.63 1k1x h GLU 230 CO -0.29 0.52 0.00 1.63 -1.00 0.00 0.00 179.01 179.87 1k1x n LYS 231 N -4.33 2.34 -1.53 2.33 5.02 0.44 -5.00 118.16 117.42 1k1x n LYS 231 Ca 0.02 -2.09 -0.11 0.00 -2.02 0.00 0.00 58.31 54.10 1k1x n LYS 231 Cb 0.19 -1.47 -0.04 0.00 -0.02 0.00 0.00 35.03 33.69 1k1x n LYS 231 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1k1x n GLY 232 N 1.37 0.96 0.18 0.72 0.00 -1.01 -4.94 105.19 102.46 1k1x n GLY 232 Ca 0.16 -0.48 -0.05 0.00 0.00 0.00 0.00 46.02 45.66 1k1x n GLY 232 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1k1x h TRP 233 N 0.00 0.24 -0.53 1.61 7.01 -1.42 0.41 115.95 123.27 1k1x h TRP 233 Ca -0.24 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 60.78 1k1x h TRP 233 Cb 0.85 -0.04 -0.03 0.00 -2.10 0.00 0.00 29.16 27.84 1k1x h TRP 233 CO 0.32 0.08 0.33 1.25 -2.79 0.00 0.00 178.44 177.63 1k1x h LEU 234 N 0.29 0.63 -0.20 0.65 7.12 -1.76 0.23 115.31 122.27 1k1x h LEU 234 Ca 0.20 -0.05 -0.01 0.00 0.13 0.00 0.00 57.88 58.15 1k1x h LEU 234 Cb 0.21 -0.16 -0.01 0.00 -0.53 0.00 0.00 40.66 40.17 1k1x h LEU 234 CO -0.22 0.49 0.07 -0.09 -0.13 0.00 0.00 178.44 178.55 1k1x h ARG 235 N 0.72 0.30 -0.92 1.25 2.43 -1.69 -0.10 114.38 116.37 1k1x h ARG 235 Ca 0.19 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1k1x h ARG 235 Cb -0.03 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.43 1k1x h ARG 235 CO -0.04 0.40 0.56 1.49 -1.51 0.00 0.00 179.97 180.87 1k1x h GLU 236 N 0.15 1.25 0.13 0.20 4.81 -0.66 -2.00 114.58 118.46 1k1x h GLU 236 Ca 0.06 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1k1x h GLU 236 Cb 0.22 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.33 1k1x h GLU 236 CO -0.00 0.87 -0.06 0.35 -0.73 0.00 0.00 179.01 179.44 1k1x h PHE 237 N 1.27 -0.16 -0.22 0.92 3.57 -0.23 -1.33 116.94 120.77 1k1x h PHE 237 Ca 0.33 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.85 1k1x h PHE 237 Cb -0.06 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 1k1x h PHE 237 CO 0.00 0.13 0.15 0.74 -2.23 0.00 0.00 178.31 177.10 1k1x h PHE 238 N -0.45 0.21 -0.05 0.41 -1.00 -0.93 -0.15 116.94 114.99 1k1x h PHE 238 Ca -0.02 0.01 -0.03 0.00 2.81 0.00 0.00 57.97 60.74 1k1x h PHE 238 Cb 0.36 -0.07 0.00 0.00 3.61 0.00 0.00 35.95 39.85 1k1x h PHE 238 CO 0.02 0.13 -0.09 0.22 -1.61 0.00 0.00 178.31 176.98 1k1x h ASP 239 N 0.22 0.16 -0.28 2.17 3.58 -1.19 -2.62 116.42 118.46 1k1x h ASP 239 Ca 0.09 -0.55 -0.03 0.00 0.42 0.00 0.00 57.03 56.95 1k1x h ASP 239 Cb 0.08 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.07 1k1x h ASP 239 CO -0.02 0.68 0.04 0.00 -2.88 0.00 0.00 179.24 177.07 1k1x h ALA 240 N 0.48 0.37 -0.47 -0.78 0.00 -0.84 -3.00 119.26 115.02 1k1x h ALA 240 Ca 0.00 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.75 1k1x h ALA 240 Cb 0.65 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1k1x h ALA 240 CO 0.02 0.06 0.31 0.82 0.00 0.00 0.00 179.25 180.47 1k1x h ILE 241 N 0.28 1.06 -0.15 0.00 1.08 -1.12 -2.76 117.51 115.90 1k1x h ILE 241 Ca 0.08 -0.19 0.00 0.00 -0.39 0.00 0.00 64.86 64.36 1k1x h ILE 241 Cb 0.35 0.46 0.00 0.00 -3.07 0.00 0.00 36.82 34.56 1k1x h ILE 241 CO 0.01 0.10 0.00 0.35 -0.69 0.00 0.00 178.15 177.92 1k1x n THR 242 N -4.47 0.18 -2.36 -0.27 -2.24 -0.99 -4.25 114.28 99.87 1k1x n THR 242 Ca 0.05 -0.40 0.03 0.00 -2.27 0.00 0.00 64.05 61.46 1k1x n THR 242 Cb 0.13 0.62 0.06 0.00 -2.10 0.00 0.00 70.33 69.03 1k1x n THR 242 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1k1x n SER 243 N 0.57 1.37 -4.27 3.42 3.41 -1.05 -5.02 113.62 112.06 1k1x n SER 243 Ca 0.17 -2.42 -0.36 0.00 -0.26 0.00 0.00 58.87 56.00 1k1x n SER 243 Cb 0.41 -0.37 -0.14 0.00 -0.26 0.00 0.00 64.21 63.85 1k1x n SER 243 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1k1x s ASN 244 N -2.54 4.63 0.60 4.04 3.84 -1.19 -4.99 114.94 119.32 1k1x s ASN 244 Ca 0.34 -0.75 0.30 0.00 0.21 0.00 0.00 52.86 52.97 1k1x s ASN 244 Cb 0.38 -1.76 1.77 0.00 -0.55 0.00 0.00 41.25 41.09 1k1x s ASN 244 CO -0.13 -0.14 2.16 1.05 -2.79 0.00 0.00 177.10 177.26 1k1x h GLU 245 N 8.11 0.00 -0.01 0.43 4.11 -1.95 -1.98 114.58 123.29 1k1x h GLU 245 Ca -0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.10 1k1x h GLU 245 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1k1x h GLU 245 CO 0.59 0.00 -0.16 1.63 0.07 0.00 0.00 179.01 181.14 1k1x n LYS 246 N -3.72 1.12 -4.09 1.06 5.02 -1.26 -4.80 118.16 111.49 1k1x n LYS 246 Ca -0.00 -0.64 -0.32 0.00 -2.02 0.00 0.00 58.31 55.32 1k1x n LYS 246 Cb 0.23 -1.49 -0.16 0.00 -0.02 0.00 0.00 35.03 33.60 1k1x n LYS 246 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1k1x s ILE 247 N -2.32 2.07 -0.42 -0.18 1.01 -0.75 -1.27 121.20 119.34 1k1x s ILE 247 Ca 0.30 -1.20 -0.13 0.00 0.00 0.00 0.00 60.65 59.62 1k1x s ILE 247 Cb 0.20 -2.00 0.05 0.00 0.01 0.00 0.00 42.46 40.72 1k1x s ILE 247 CO 0.45 0.30 0.30 0.21 0.00 0.00 0.00 174.94 176.20 1k1x s ASN 248 N 1.23 5.93 0.24 3.58 3.04 -0.09 -4.72 114.94 124.14 1k1x s ASN 248 Ca -0.01 -1.20 -0.30 0.00 0.04 0.00 0.00 52.86 51.40 1k1x s ASN 248 Cb -0.16 -2.10 -0.09 0.00 -1.54 0.00 0.00 41.25 37.37 1k1x s ASN 248 CO -0.10 -0.52 0.94 -0.22 -3.04 0.00 0.00 177.10 174.17 1k1x s LEU 249 N 1.58 4.65 0.30 3.21 2.96 -1.26 -1.00 118.68 129.12 1k1x s LEU 249 Ca 0.03 1.95 -0.20 0.00 -0.22 0.00 0.00 54.13 55.70 1k1x s LEU 249 Cb -0.22 -3.61 0.04 0.00 0.50 0.00 0.00 46.19 42.90 1k1x s LEU 249 CO 0.06 0.15 0.77 0.00 -1.32 0.00 0.00 176.35 176.01 1k1x s MET 250 N -1.17 1.88 0.25 1.98 0.23 -0.41 -4.90 119.30 117.16 1k1x s MET 250 Ca 0.41 -1.10 0.06 0.00 -1.03 0.00 0.00 55.69 54.03 1k1x s MET 250 Cb -0.26 0.60 -0.03 0.00 -1.53 0.00 0.00 34.83 33.60 1k1x s MET 250 CO 0.32 -0.87 0.33 0.95 -2.03 0.00 0.00 175.02 173.72 1k1x s THR 251 N -3.33 4.91 0.20 3.16 -4.23 -1.26 -4.33 115.64 110.77 1k1x s THR 251 Ca 0.13 -1.11 -0.11 0.00 -1.18 0.00 0.00 61.69 59.42 1k1x s THR 251 Cb -0.05 -3.69 0.15 0.00 1.34 0.00 0.00 72.50 70.24 1k1x s THR 251 CO 0.08 -0.32 1.71 1.88 -0.54 0.00 0.00 174.62 177.43 1k1x h TYR 252 N 1.23 0.19 -0.16 3.99 -1.99 -1.97 -1.07 116.97 117.19 1k1x h TYR 252 Ca -0.50 0.03 -0.07 0.00 2.00 0.00 0.00 58.73 60.19 1k1x h TYR 252 Cb 1.23 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.95 1k1x h TYR 252 CO 0.48 -0.02 -0.22 0.77 -0.00 0.00 0.00 178.16 179.17 1k1x h SER 253 N 0.26 0.28 -0.31 3.88 0.02 -1.98 -1.65 113.55 114.04 1k1x h SER 253 Ca 0.29 -0.08 -0.09 0.00 -0.84 0.00 0.00 61.79 61.08 1k1x h SER 253 Cb 0.42 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 1k1x h SER 253 CO -0.38 0.51 -0.14 -0.08 -1.14 0.00 0.00 176.83 175.60 1k1x h GLU 254 N 0.26 0.65 0.10 3.45 4.81 -1.74 -2.33 114.58 119.78 1k1x h GLU 254 Ca 0.04 -0.28 0.01 0.00 -0.13 0.00 0.00 59.36 59.00 1k1x h GLU 254 Cb 0.54 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 1k1x h GLU 254 CO 0.04 0.87 -0.11 -0.92 -0.73 0.00 0.00 179.01 178.15 1k1x h TYR 255 N 0.42 -0.29 0.00 0.92 3.20 -0.87 -1.90 116.97 118.45 1k1x h TYR 255 Ca 0.07 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1k1x h TYR 255 Cb 0.67 0.11 0.00 0.00 1.54 0.00 0.00 36.73 39.05 1k1x h TYR 255 CO 0.06 -0.17 0.00 1.28 -1.64 0.00 0.00 178.16 177.69 1k1x n LEU 256 N -5.23 0.30 0.10 2.82 4.77 -0.65 -0.22 117.00 118.89 1k1x n LEU 256 Ca -0.07 0.59 0.12 0.00 -0.03 0.00 0.00 56.01 56.62 1k1x n LEU 256 Cb 0.15 -0.58 0.18 0.00 -2.33 0.00 0.00 43.42 40.85 1k1x n LEU 256 CO 0.31 -0.51 0.46 0.77 -1.33 0.00 0.00 177.39 177.09 1k1x h SER 257 N 0.00 0.00 0.00 -1.43 4.64 -0.77 -3.38 113.55 112.61 1k1x h SER 257 Ca 0.00 -0.10 -0.21 0.00 -0.47 0.00 0.00 61.79 61.02 1k1x h SER 257 Cb 0.20 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.25 1k1x h SER 257 CO 0.00 0.05 -1.78 0.29 -0.87 0.00 0.00 176.83 174.52 1k1x n LYS 258 N -2.40 0.50 -4.33 4.77 5.02 -0.23 -5.05 118.16 116.44 1k1x n LYS 258 Ca 0.03 0.07 -0.22 0.00 -2.02 0.00 0.00 58.31 56.17 1k1x n LYS 258 Cb 0.47 -1.28 -0.11 0.00 -0.02 0.00 0.00 35.03 34.09 1k1x n LYS 258 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1k1x s PHE 259 N -2.27 1.82 0.24 2.13 0.40 0.70 -5.12 117.98 115.87 1k1x s PHE 259 Ca -0.17 -0.46 0.07 0.00 -0.60 0.00 0.00 56.93 55.76 1k1x s PHE 259 Cb 0.05 -0.92 -0.04 0.00 0.51 0.00 0.00 43.02 42.62 1k1x s PHE 259 CO 0.33 0.31 0.19 0.95 0.70 0.00 0.00 175.22 177.70 1k1x s THR 260 N -1.94 4.44 0.77 0.64 -4.23 -1.26 -4.21 115.64 109.85 1k1x s THR 260 Ca 0.15 -1.37 -0.15 0.00 -1.18 0.00 0.00 61.69 59.14 1k1x s THR 260 Cb -0.06 -3.38 0.03 0.00 1.34 0.00 0.00 72.50 70.43 1k1x s THR 260 CO 0.06 -0.32 0.99 -2.65 -0.54 0.00 0.00 174.62 172.16 1k1x n PRO 261 N -1.06 0.32 0.00 3.99 -0.02 -1.26 -4.89 135.00 132.08 1k1x n PRO 261 Ca -0.08 0.17 0.13 0.00 -2.02 0.00 0.00 63.50 61.70 1k1x n PRO 261 Cb 0.57 -2.25 0.38 0.00 -0.02 0.00 0.00 33.50 32.18 1k1x n PRO 261 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1k1x n ARG 262 N -2.29 0.01 -3.50 -0.52 0.63 -0.69 -4.95 116.66 105.35 1k1x n ARG 262 Ca 0.13 0.01 0.00 0.00 -0.92 0.00 0.00 57.85 57.06 1k1x n ARG 262 Cb 0.50 -1.51 0.00 0.00 0.45 0.00 0.00 32.46 31.90 1k1x n ARG 262 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1k1x n GLY 263 N 1.49 -1.37 3.37 5.14 0.00 -1.26 -5.05 105.19 107.52 1k1x n GLY 263 Ca 0.06 -1.03 -0.32 0.00 0.00 0.00 0.00 46.02 44.73 1k1x n GLY 263 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1k1x s LEU 264 N 0.00 2.44 0.04 0.99 2.96 -1.26 0.60 118.68 124.45 1k1x s LEU 264 Ca 0.00 -0.35 -0.08 0.00 -0.22 0.00 0.00 54.13 53.48 1k1x s LEU 264 Cb 0.00 -1.48 -0.00 0.00 0.50 0.00 0.00 46.19 45.21 1k1x s LEU 264 CO 0.00 0.28 0.16 0.54 -1.32 0.00 0.00 176.35 176.01 1k1x s VAL 265 N -0.37 0.12 -0.15 1.68 0.11 -0.15 -4.93 120.40 116.72 1k1x s VAL 265 Ca 0.03 -0.95 -0.00 0.00 -2.93 0.00 0.00 61.98 58.13 1k1x s VAL 265 Cb -0.12 -0.89 -0.01 0.00 -1.53 0.00 0.00 36.38 33.83 1k1x s VAL 265 CO 0.02 -0.53 -0.13 -0.31 -3.33 0.00 0.00 175.10 170.82 1k1x s TYR 266 N -2.54 2.81 -0.03 1.54 1.51 -1.26 -4.10 117.35 115.27 1k1x s TYR 266 Ca -0.05 -0.84 -0.12 0.00 -1.01 0.00 0.00 57.07 55.05 1k1x s TYR 266 Cb -0.01 -1.88 -0.05 0.00 -0.11 0.00 0.00 41.96 39.90 1k1x s TYR 266 CO -0.04 -0.35 0.33 -0.51 -1.11 0.00 0.00 175.55 173.87 1k1x s LEU 267 N 0.63 4.44 0.91 -1.29 1.43 -1.26 -4.83 118.68 118.72 1k1x s LEU 267 Ca -0.07 0.80 -0.14 0.00 -1.03 0.00 0.00 54.13 53.69 1k1x s LEU 267 Cb -0.16 -2.46 0.15 0.00 0.03 0.00 0.00 46.19 43.75 1k1x s LEU 267 CO 0.03 0.34 1.21 -2.16 0.23 0.00 0.00 176.35 176.00 1k1x s PRO 268 N -1.13 1.10 -0.53 1.29 0.04 -1.26 -4.79 135.00 129.71 1k1x s PRO 268 Ca 0.22 -0.02 -0.26 0.00 0.04 0.00 0.00 61.00 60.98 1k1x s PRO 268 Cb -0.15 -1.86 0.03 0.00 0.04 0.00 0.00 34.50 32.56 1k1x s PRO 268 CO 0.11 -2.17 1.01 0.42 0.04 0.00 0.00 177.00 176.41 1k1x s ILE 269 N -3.56 4.31 0.33 0.56 1.01 -1.26 -4.78 121.20 117.80 1k1x s ILE 269 Ca 0.67 0.62 -0.15 0.00 0.00 0.00 0.00 60.65 61.79 1k1x s ILE 269 Cb -0.10 -4.56 0.03 0.00 0.01 0.00 0.00 42.46 37.84 1k1x s ILE 269 CO 0.52 -1.08 0.68 0.00 0.00 0.00 0.00 174.94 175.06 1k1x s ALA 270 N 4.17 -0.63 0.00 9.38 0.00 -1.24 -4.96 121.76 128.48 1k1x s ALA 270 Ca 0.36 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.60 1k1x s ALA 270 Cb -0.10 0.85 0.00 0.00 0.00 0.00 0.00 23.12 23.87 1k1x s ALA 270 CO 0.24 -0.96 0.00 -1.13 0.00 0.00 0.00 175.76 173.90 1k1x n SER 271 N -0.96 0.00 -3.70 0.00 3.41 -1.25 -1.76 113.62 109.36 1k1x n SER 271 Ca -0.05 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.45 1k1x n SER 271 Cb 0.60 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.49 1k1x n SER 271 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1k1x s TYR 272 N 0.00 -0.15 0.19 7.33 -0.85 -1.26 -4.83 117.35 117.78 1k1x s TYR 272 Ca 0.00 -0.07 -0.22 0.00 -0.52 0.00 0.00 57.07 56.26 1k1x s TYR 272 Cb 0.00 0.17 0.11 0.00 0.38 0.00 0.00 41.96 42.62 1k1x s TYR 272 CO 0.00 -0.60 1.57 0.35 -1.52 0.00 0.00 175.55 175.35 1k1x h PHE 273 N 2.79 -1.10 -0.75 -3.49 3.57 -2.00 -1.72 116.94 114.24 1k1x h PHE 273 Ca -0.33 0.08 0.02 0.00 3.53 0.00 0.00 57.97 61.27 1k1x h PHE 273 Cb 1.22 0.58 -0.04 0.00 2.79 0.00 0.00 35.95 40.50 1k1x h PHE 273 CO 0.39 -0.40 0.49 0.93 -2.23 0.00 0.00 178.31 177.49 1k1x h GLU 274 N -0.15 0.95 -0.76 1.11 3.07 -2.00 -2.38 114.58 114.42 1k1x h GLU 274 Ca 0.23 -0.06 0.07 0.00 -0.50 0.00 0.00 59.36 59.11 1k1x h GLU 274 Cb 0.56 -0.21 -0.06 0.00 -0.84 0.00 0.00 28.75 28.19 1k1x h GLU 274 CO -0.75 0.63 0.44 0.52 -1.40 0.00 0.00 179.01 178.45 1k1x h MET 275 N 0.98 0.77 0.00 2.33 2.86 -1.75 0.45 114.93 120.57 1k1x h MET 275 Ca 0.29 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.87 1k1x h MET 275 Cb -0.05 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 31.43 1k1x h MET 275 CO -0.08 0.51 -0.07 0.66 1.06 0.00 0.00 176.91 178.99 1k1x h SER 276 N 0.79 0.00 0.02 1.22 4.64 -0.89 0.69 113.55 120.02 1k1x h SER 276 Ca 0.35 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1k1x h SER 276 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1k1x h SER 276 CO -0.20 0.07 -0.01 -0.08 -0.87 0.00 0.00 176.83 175.74 1k1x h GLU 277 N 0.00 -0.02 -0.47 4.77 4.81 -0.76 0.56 114.58 123.47 1k1x h GLU 277 Ca -0.00 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1k1x h GLU 277 Cb 0.19 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 1k1x h GLU 277 CO 0.01 0.63 0.31 -1.49 -0.73 0.00 0.00 179.01 177.74 1k1x h TRP 278 N -0.97 0.56 0.00 0.92 6.55 -0.61 -2.38 115.95 120.02 1k1x h TRP 278 Ca -0.00 0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.85 1k1x h TRP 278 Cb 0.66 -0.19 0.00 0.00 -0.86 0.00 0.00 29.16 28.77 1k1x h TRP 278 CO 0.18 0.35 0.00 -1.13 -1.05 0.00 0.00 178.44 176.78 1k1x n SER 279 N -4.47 0.37 -4.78 -3.49 3.41 0.19 -4.77 113.62 100.08 1k1x n SER 279 Ca 0.04 0.59 -0.38 0.00 -0.26 0.00 0.00 58.87 58.87 1k1x n SER 279 Cb 0.08 -0.67 -0.06 0.00 -0.26 0.00 0.00 64.21 63.30 1k1x n SER 279 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1k1x s LEU 280 N -3.80 4.40 0.49 1.04 1.43 -0.90 -4.46 118.68 116.88 1k1x s LEU 280 Ca 0.06 1.85 -0.24 0.00 -1.03 0.00 0.00 54.13 54.77 1k1x s LEU 280 Cb 0.10 -3.93 -0.07 0.00 0.03 0.00 0.00 46.19 42.31 1k1x s LEU 280 CO 0.34 -0.02 1.35 -0.81 0.23 0.00 0.00 176.35 177.45 1k1x n PRO 281 N 0.74 1.93 -0.29 1.29 -0.04 -1.26 -4.49 135.00 132.88 1k1x n PRO 281 Ca 0.01 0.69 0.01 0.00 -0.04 0.00 0.00 63.50 64.18 1k1x n PRO 281 Cb 0.49 -2.54 0.06 0.00 -0.04 0.00 0.00 33.50 31.47 1k1x n PRO 281 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1k1x n ALA 282 N -0.57 0.00 -0.35 0.55 0.00 -1.26 -0.28 120.51 118.60 1k1x n ALA 282 Ca 0.08 0.79 0.03 0.00 0.00 0.00 0.00 53.44 54.34 1k1x n ALA 282 Cb 0.42 -0.40 0.18 0.00 0.00 0.00 0.00 19.45 19.66 1k1x n ALA 282 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1k1x h LYS 283 N 0.00 1.02 -0.00 0.00 3.64 -1.90 -0.50 116.57 118.83 1k1x h LYS 283 Ca 0.30 -0.06 -0.19 0.00 -1.27 0.00 0.00 60.65 59.43 1k1x h LYS 283 Cb 0.49 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1k1x h LYS 283 CO -0.77 0.67 -0.85 0.37 -2.27 0.00 0.00 179.45 176.60 1k1x h GLN 284 N 1.05 0.15 -0.03 1.90 5.75 -0.97 -2.91 115.11 120.05 1k1x h GLN 284 Ca 0.43 -0.17 -0.09 0.00 -0.15 0.00 0.00 58.65 58.68 1k1x h GLN 284 Cb 0.27 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.86 1k1x h GLN 284 CO -0.20 0.91 -0.38 0.00 -2.65 0.00 0.00 178.83 176.50 1k1x h ALA 285 N 1.03 1.32 -0.04 3.38 0.00 -0.24 0.88 119.26 125.59 1k1x h ALA 285 Ca -0.03 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1k1x h ALA 285 Cb 1.46 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 1k1x h ALA 285 CO 0.13 0.50 0.01 -0.22 0.00 0.00 0.00 179.25 179.67 1k1x h LYS 286 N 0.04 0.07 -0.89 0.00 1.63 -1.02 -0.44 116.57 115.96 1k1x h LYS 286 Ca 0.00 -0.02 0.05 0.00 -0.85 0.00 0.00 60.65 59.84 1k1x h LYS 286 Cb 0.70 -0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 32.26 1k1x h LYS 286 CO 0.05 0.27 0.57 1.25 -3.45 0.00 0.00 179.45 178.14 1k1x h LEU 287 N -0.15 0.92 0.01 5.20 6.46 -1.23 -1.11 115.31 125.41 1k1x h LEU 287 Ca 0.01 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.78 1k1x h LEU 287 Cb 0.23 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 39.97 1k1x h LEU 287 CO 0.00 0.61 -0.01 0.15 -0.62 0.00 0.00 178.44 178.57 1k1x h PHE 288 N 1.06 -0.02 -0.96 1.25 3.57 -0.55 -1.29 116.94 120.01 1k1x h PHE 288 Ca 0.37 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.93 1k1x h PHE 288 Cb 0.09 0.01 -0.06 0.00 2.79 0.00 0.00 35.95 38.78 1k1x h PHE 288 CO -0.02 0.15 0.62 0.28 -2.23 0.00 0.00 178.31 177.10 1k1x h VAL 289 N -0.18 1.09 -0.36 1.41 2.07 -0.72 -0.98 116.25 118.58 1k1x h VAL 289 Ca -0.00 -0.39 0.02 0.00 0.82 0.00 0.00 66.70 67.14 1k1x h VAL 289 Cb 0.17 -0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 29.78 1k1x h VAL 289 CO 0.00 0.21 0.21 -0.33 0.02 0.00 0.00 177.57 177.68 1k1x h GLU 290 N 1.13 0.42 0.56 1.57 5.08 -0.93 -1.40 114.58 121.01 1k1x h GLU 290 Ca 0.41 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.72 1k1x h GLU 290 Cb 0.14 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1k1x h GLU 290 CO -0.16 0.28 -0.29 0.35 -1.00 0.00 0.00 179.01 178.18 1k1x h PHE 291 N 0.43 -0.76 -0.03 4.33 3.57 -0.30 -0.32 116.94 123.87 1k1x h PHE 291 Ca 0.14 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.64 1k1x h PHE 291 Cb 0.00 0.26 -0.00 0.00 2.79 0.00 0.00 35.95 39.00 1k1x h PHE 291 CO -0.07 -0.46 0.05 0.28 -2.23 0.00 0.00 178.31 175.87 1k1x h VAL 292 N -0.79 0.31 0.04 1.41 2.07 -1.14 -1.70 116.25 116.46 1k1x h VAL 292 Ca -0.07 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 1k1x h VAL 292 Cb 0.61 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1k1x h VAL 292 CO 0.11 0.00 -0.02 -0.33 0.02 0.00 0.00 177.57 177.35 1k1x h GLU 293 N 0.00 -0.06 -0.52 1.57 4.39 -0.58 -2.53 114.58 116.86 1k1x h GLU 293 Ca 0.01 0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.78 1k1x h GLU 293 Cb 0.11 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 1k1x h GLU 293 CO -0.00 0.49 0.34 0.37 -1.16 0.00 0.00 179.01 179.06 1k1x h GLN 294 N -0.95 0.42 -0.34 2.33 4.15 -0.73 0.25 115.11 120.24 1k1x h GLN 294 Ca -0.01 -0.03 -0.16 0.00 0.77 0.00 0.00 58.65 59.23 1k1x h GLN 294 Cb 0.58 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 28.17 1k1x h GLN 294 CO 0.01 0.28 -0.41 -0.07 -1.93 0.00 0.00 178.83 176.71 1k1x h LEU 295 N 0.44 0.94 -0.56 -2.39 3.38 -1.40 -2.63 115.31 113.09 1k1x h LEU 295 Ca 0.23 -0.49 -0.13 0.00 0.09 0.00 0.00 57.88 57.58 1k1x h LEU 295 Cb 0.33 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1k1x h LEU 295 CO -0.06 1.24 -0.26 0.11 0.09 0.00 0.00 178.44 179.56 1k1x h LYS 296 N 0.67 0.88 -0.92 1.13 1.57 -0.79 0.11 116.57 119.22 1k1x h LYS 296 Ca 0.04 -0.39 0.01 0.00 -1.87 0.00 0.00 60.65 58.44 1k1x h LYS 296 Cb 1.00 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 33.25 1k1x h LYS 296 CO 0.10 1.04 0.61 1.49 -0.57 0.00 0.00 179.45 182.11 1k1x h GLU 297 N 0.75 1.21 -0.60 3.15 4.81 -0.96 -1.98 114.58 120.96 1k1x h GLU 297 Ca 0.09 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1k1x h GLU 297 Cb 0.82 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 29.93 1k1x h GLU 297 CO 0.07 0.80 0.00 0.39 -0.73 0.00 0.00 179.01 179.54 1k1x n GLU 298 N -4.39 2.88 -2.39 1.92 1.02 -1.00 -4.93 120.64 113.74 1k1x n GLU 298 Ca 0.11 -2.05 -0.17 0.00 -0.02 0.00 0.00 57.16 55.02 1k1x n GLU 298 Cb 0.02 -1.68 -0.01 0.00 -0.02 0.00 0.00 31.44 29.75 1k1x n GLU 298 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1k1x n GLY 299 N 0.97 -0.44 0.01 0.62 0.00 -0.75 -4.85 105.19 100.75 1k1x n GLY 299 Ca 0.19 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.31 1k1x n GLY 299 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1k1x n LYS 300 N -2.91 0.41 0.06 1.61 4.76 0.34 -4.60 118.16 117.84 1k1x n LYS 300 Ca -0.21 -0.12 -0.12 0.00 -2.87 0.00 0.00 58.31 54.99 1k1x n LYS 300 Cb 0.65 -1.51 -0.06 0.00 -1.84 0.00 0.00 35.03 32.27 1k1x n LYS 300 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 1k1x h PHE 301 N 0.00 -0.13 -0.96 2.13 3.57 -1.80 -3.08 116.94 116.67 1k1x h PHE 301 Ca 0.00 0.00 0.28 0.00 3.53 0.00 0.00 57.97 61.79 1k1x h PHE 301 Cb 0.81 0.05 -0.14 0.00 2.79 0.00 0.00 35.95 39.46 1k1x h PHE 301 CO 0.00 -0.08 0.44 0.93 -2.23 0.00 0.00 178.31 177.37 1k1x h GLU 302 N -0.11 0.29 0.00 1.11 5.08 -1.90 -1.07 114.58 117.98 1k1x h GLU 302 Ca 0.01 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1k1x h GLU 302 Cb 0.12 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1k1x h GLU 302 CO -0.03 0.19 -0.97 0.36 -1.00 0.00 0.00 179.01 177.56 1k1x n LYS 303 N -5.11 0.03 -0.04 2.33 2.85 -1.22 -4.36 118.16 112.63 1k1x n LYS 303 Ca 0.27 -0.01 0.04 0.00 -1.05 0.00 0.00 58.31 57.57 1k1x n LYS 303 Cb 0.85 -1.50 0.06 0.00 -0.65 0.00 0.00 35.03 33.79 1k1x n LYS 303 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1k1x n TYR 304 N -1.53 0.10 -0.17 5.58 0.53 -0.94 -4.72 117.16 116.01 1k1x n TYR 304 Ca 0.04 -0.16 0.06 0.00 -1.02 0.00 0.00 57.90 56.81 1k1x n TYR 304 Cb 0.34 -0.01 0.35 0.00 -1.03 0.00 0.00 39.34 38.99 1k1x n TYR 304 CO 0.00 0.00 0.00 0.07 -1.02 0.00 0.00 176.86 175.91 1k1x h ARG 305 N 1.47 0.74 0.00 -0.72 0.11 -1.41 -1.19 114.38 113.38 1k1x h ARG 305 Ca 0.00 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.04 1k1x h ARG 305 Cb 0.43 -0.17 0.00 0.00 1.11 0.00 0.00 29.97 31.34 1k1x h ARG 305 CO 0.00 0.49 0.00 1.33 0.10 0.00 0.00 179.97 181.89 1k1x n VAL 306 N -4.47 1.02 -0.50 0.08 0.24 -1.26 -1.31 118.33 112.13 1k1x n VAL 306 Ca 0.10 0.54 0.08 0.00 -2.04 0.00 0.00 64.34 63.02 1k1x n VAL 306 Cb 0.20 -1.51 0.26 0.00 -1.47 0.00 0.00 33.84 31.32 1k1x n VAL 306 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1k1x n PHE 307 N -2.19 0.95 -4.09 6.34 0.99 -0.45 -4.74 117.46 114.27 1k1x n PHE 307 Ca -0.00 -0.61 -0.30 0.00 -0.00 0.00 0.00 57.45 56.55 1k1x n PHE 307 Cb 0.10 -0.15 -0.16 0.00 -1.00 0.00 0.00 39.48 38.27 1k1x n PHE 307 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 1k1x s VAL 308 N -1.61 1.56 0.11 -4.37 1.01 -0.42 -5.11 120.40 111.56 1k1x s VAL 308 Ca 0.39 -0.63 -0.17 0.00 0.00 0.00 0.00 61.98 61.57 1k1x s VAL 308 Cb 0.25 -1.46 0.04 0.00 0.00 0.00 0.00 36.38 35.20 1k1x s VAL 308 CO 0.20 0.46 0.41 -0.13 0.00 0.00 0.00 175.10 176.03 1k1x s ARG 309 N 1.41 1.04 0.00 2.72 0.52 -1.26 -4.98 118.95 118.41 1k1x s ARG 309 Ca 0.03 -0.62 0.00 0.00 -0.52 0.00 0.00 55.73 54.62 1k1x s ARG 309 Cb -0.13 0.46 0.00 0.00 0.52 0.00 0.00 34.95 35.80 1k1x s ARG 309 CO -0.09 -0.40 0.00 0.41 0.02 0.00 0.00 175.30 175.24 1k1x n GLY 310 N -0.06 1.13 0.00 -3.53 0.00 -1.25 -5.05 105.19 96.43 1k1x n GLY 310 Ca -0.17 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1k1x n GLY 310 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k1x n GLY 311 N 5.00 -0.17 3.49 -0.02 0.00 0.19 -4.96 105.19 108.72 1k1x n GLY 311 Ca 0.00 -1.78 -0.26 0.00 0.00 0.00 0.00 46.02 43.98 1k1x n GLY 311 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1k1x s ILE 312 N -0.07 2.71 0.21 -0.61 -4.36 -1.26 -4.31 121.20 113.50 1k1x s ILE 312 Ca 0.00 -1.97 -0.14 0.00 -0.26 0.00 0.00 60.65 58.28 1k1x s ILE 312 Cb 0.00 -2.34 0.23 0.00 1.25 0.00 0.00 42.46 41.59 1k1x s ILE 312 CO 0.00 -0.18 1.63 -0.25 0.24 0.00 0.00 174.94 176.38 1k1x h TRP 313 N 2.87 -0.34 0.00 1.37 7.01 -1.94 -0.24 115.95 124.68 1k1x h TRP 313 Ca -0.45 0.06 0.00 0.00 2.11 0.00 0.00 58.89 60.60 1k1x h TRP 313 Cb 1.22 0.25 0.00 0.00 -2.10 0.00 0.00 29.16 28.52 1k1x h TRP 313 CO 0.70 -0.27 0.00 1.63 -2.79 0.00 0.00 178.44 177.71 1k1x n LYS 314 N -5.43 0.01 0.00 2.65 5.02 -1.26 -1.10 118.16 118.06 1k1x n LYS 314 Ca 0.07 0.34 0.15 0.00 -2.02 0.00 0.00 58.31 56.85 1k1x n LYS 314 Cb 0.32 -1.50 0.81 0.00 -0.02 0.00 0.00 35.03 34.64 1k1x n LYS 314 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1k1x n ASN 315 N -1.36 0.00 0.23 4.39 5.15 -0.10 -2.87 115.26 120.70 1k1x n ASN 315 Ca 0.00 -0.44 0.10 0.00 -0.60 0.00 0.00 54.58 53.65 1k1x n ASN 315 Cb 0.01 -0.18 0.57 0.00 -0.53 0.00 0.00 39.78 39.64 1k1x n ASN 315 CO 0.00 0.00 0.00 -0.26 1.40 0.00 0.00 177.26 178.40 1k1x h PHE 316 N 0.00 0.00 0.00 1.20 -1.00 -1.29 -0.55 116.94 115.30 1k1x h PHE 316 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1k1x h PHE 316 Cb 0.18 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.74 1k1x h PHE 316 CO 0.00 0.20 0.00 0.74 -1.61 0.00 0.00 178.31 177.64 1k1x h PHE 317 N 0.00 0.00 0.07 -0.55 0.05 -1.76 0.21 116.94 114.96 1k1x h PHE 317 Ca -0.00 0.00 -0.32 0.00 3.82 0.00 0.00 57.97 61.47 1k1x h PHE 317 Cb 0.56 0.00 -0.03 0.00 2.00 0.00 0.00 35.95 38.48 1k1x h PHE 317 CO 0.00 0.00 -1.77 0.34 -0.18 0.00 0.00 178.31 176.70 1k1x n PHE 318 N -2.87 1.07 -0.15 -0.55 7.35 -0.36 -4.24 117.46 117.71 1k1x n PHE 318 Ca 0.01 0.31 -0.06 0.00 -0.76 0.00 0.00 57.45 56.95 1k1x n PHE 318 Cb 0.29 -1.13 0.12 0.00 0.35 0.00 0.00 39.48 39.11 1k1x n PHE 318 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 1k1x h LYS 319 N -0.37 0.89 -4.54 -4.13 3.64 -0.92 -3.39 116.57 107.75 1k1x h LYS 319 Ca -0.42 -0.25 -0.65 0.00 -1.27 0.00 0.00 60.65 58.07 1k1x h LYS 319 Cb 1.75 -0.10 -0.40 0.00 -0.41 0.00 0.00 32.23 33.07 1k1x h LYS 319 CO -0.05 0.88 -0.74 0.71 -2.27 0.00 0.00 179.45 177.98 1k1x s TYR 320 N -5.02 3.36 0.35 1.91 4.12 0.71 -4.99 117.35 117.80 1k1x s TYR 320 Ca -0.10 -2.69 0.08 0.00 0.02 0.00 0.00 57.07 54.37 1k1x s TYR 320 Cb 0.14 -2.58 0.79 0.00 -1.52 0.00 0.00 41.96 38.79 1k1x s TYR 320 CO 0.83 -0.92 1.86 -1.35 0.02 0.00 0.00 175.55 175.99 1k1x h PRO 321 N 7.71 0.70 -0.28 -1.71 0.11 -1.77 -0.61 132.00 136.15 1k1x h PRO 321 Ca -0.08 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.90 1k1x h PRO 321 Cb 1.02 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 1k1x h PRO 321 CO 0.50 0.47 -0.21 0.93 -0.21 0.00 0.00 178.00 179.47 1k1x h GLU 322 N 0.73 0.53 -0.35 1.05 3.07 -1.94 -0.26 114.58 117.41 1k1x h GLU 322 Ca 0.45 -0.19 -0.09 0.00 -0.50 0.00 0.00 59.36 59.04 1k1x h GLU 322 Cb 0.69 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.56 1k1x h GLU 322 CO -0.21 0.71 -0.13 1.03 -1.40 0.00 0.00 179.01 179.01 1k1x h SER 323 N 0.47 0.72 -0.10 1.42 0.87 -1.46 -1.75 113.55 113.71 1k1x h SER 323 Ca 0.07 -0.39 -0.00 0.00 -1.23 0.00 0.00 61.79 60.24 1k1x h SER 323 Cb 0.63 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.39 1k1x h SER 323 CO 0.05 0.94 0.05 -1.13 -0.53 0.00 0.00 176.83 176.21 1k1x h ASN 324 N 0.49 0.12 -0.13 6.23 -1.24 -0.97 -0.35 115.58 119.73 1k1x h ASN 324 Ca 0.08 -0.08 0.03 0.00 0.71 0.00 0.00 56.30 57.04 1k1x h ASN 324 Cb 0.65 -0.03 -0.02 0.00 0.73 0.00 0.00 38.32 39.65 1k1x h ASN 324 CO 0.04 0.17 -0.03 0.15 -1.29 0.00 0.00 177.43 176.48 1k1x h PHE 325 N 0.07 -0.06 -0.48 0.67 3.57 -1.02 0.37 116.94 120.07 1k1x h PHE 325 Ca 0.03 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.58 1k1x h PHE 325 Cb 0.07 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.82 1k1x h PHE 325 CO -0.04 -0.05 0.25 1.98 -2.23 0.00 0.00 178.31 178.22 1k1x h MET 326 N 0.01 0.49 -0.57 1.11 4.05 -1.22 -0.83 114.93 117.97 1k1x h MET 326 Ca 0.06 -0.03 -0.06 0.00 -0.28 0.00 0.00 59.70 59.40 1k1x h MET 326 Cb 0.09 -0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 30.76 1k1x h MET 326 CO -0.13 0.32 0.13 1.25 0.23 0.00 0.00 176.91 178.71 1k1x h HIS 327 N 0.50 0.92 0.00 1.39 -0.00 -0.61 -2.51 115.15 114.84 1k1x h HIS 327 Ca 0.20 -0.09 -0.16 0.00 -0.00 0.00 0.00 60.37 60.33 1k1x h HIS 327 Cb 0.09 -0.27 -0.02 0.00 -0.00 0.00 0.00 27.41 27.21 1k1x h HIS 327 CO -0.09 0.77 -0.74 0.87 -0.00 0.00 0.00 177.93 178.74 1k1x h LYS 328 N 0.85 0.00 0.00 5.26 1.79 -0.48 -1.82 116.57 122.17 1k1x h LYS 328 Ca 0.18 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.54 1k1x h LYS 328 Cb 0.32 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.96 1k1x h LYS 328 CO 0.00 0.74 -0.56 0.00 -1.08 0.00 0.00 179.45 178.55 1k1x h ARG 329 N 0.00 0.00 -0.22 3.15 2.47 -1.05 -0.65 114.38 118.09 1k1x h ARG 329 Ca -0.01 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.57 1k1x h ARG 329 Cb 1.41 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.73 1k1x h ARG 329 CO 0.10 0.56 -0.42 0.00 0.56 0.00 0.00 179.97 180.77 1k1x h MET 330 N 0.00 0.67 -0.26 0.04 -0.00 -1.20 -1.07 114.93 113.10 1k1x h MET 330 Ca -0.01 -0.43 -0.01 0.00 -0.00 0.00 0.00 59.70 59.26 1k1x h MET 330 Cb 1.01 0.05 -0.01 0.00 -0.00 0.00 0.00 31.60 32.65 1k1x h MET 330 CO 0.07 1.05 0.13 -0.07 -0.00 0.00 0.00 176.91 178.09 1k1x h LEU 331 N 0.37 0.34 -0.39 -0.10 3.38 -1.15 0.39 115.31 118.14 1k1x h LEU 331 Ca 0.01 -0.11 0.08 0.00 0.09 0.00 0.00 57.88 57.95 1k1x h LEU 331 Cb 1.02 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.61 1k1x h LEU 331 CO 0.09 0.35 -0.12 -0.03 0.09 0.00 0.00 178.44 178.82 1k1x h MET 332 N 0.30 -0.03 -0.31 1.13 4.05 -1.04 -1.21 114.93 117.82 1k1x h MET 332 Ca 0.09 0.00 -0.18 0.00 -0.28 0.00 0.00 59.70 59.33 1k1x h MET 332 Cb 0.10 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 30.90 1k1x h MET 332 CO -0.01 -0.02 -0.51 0.28 0.23 0.00 0.00 176.91 176.87 1k1x h VAL 333 N -0.03 1.27 -0.88 -5.77 2.07 -0.90 -2.56 116.25 109.45 1k1x h VAL 333 Ca 0.19 -1.69 0.09 0.00 0.82 0.00 0.00 66.70 66.11 1k1x h VAL 333 Cb 0.32 1.57 -0.07 0.00 -1.52 0.00 0.00 31.29 31.59 1k1x h VAL 333 CO -0.42 0.56 0.53 -1.28 0.02 0.00 0.00 177.57 176.97 1k1x h SER 334 N 0.70 0.79 -0.32 0.57 0.87 0.30 -0.96 113.55 115.50 1k1x h SER 334 Ca 0.03 0.04 -0.11 0.00 -1.23 0.00 0.00 61.79 60.51 1k1x h SER 334 Cb 1.12 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.95 1k1x h SER 334 CO 0.12 0.47 -0.25 0.50 -0.53 0.00 0.00 176.83 177.13 1k1x h LYS 335 N 0.91 0.73 0.00 2.24 3.64 -1.20 -2.07 116.57 120.82 1k1x h LYS 335 Ca 0.41 -0.36 -0.04 0.00 -1.27 0.00 0.00 60.65 59.39 1k1x h LYS 335 Cb 0.32 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1k1x h LYS 335 CO -0.23 0.98 -0.17 0.00 -2.27 0.00 0.00 179.45 177.76 1k1x h ALA 336 N 0.74 1.24 -0.23 5.00 0.00 -0.92 -3.03 119.26 122.06 1k1x h ALA 336 Ca 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1k1x h ALA 336 Cb 0.81 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1k1x h ALA 336 CO 0.07 0.21 0.00 1.33 0.00 0.00 0.00 179.25 180.86 1k1x n VAL 337 N -3.64 1.17 -0.34 0.00 0.24 -0.44 -4.73 118.33 110.59 1k1x n VAL 337 Ca -0.01 -1.14 0.24 0.00 -2.04 0.00 0.00 64.34 61.38 1k1x n VAL 337 Cb 0.30 0.39 0.50 0.00 -1.47 0.00 0.00 33.84 33.57 1k1x n VAL 337 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1k1x h ARG 338 N 1.36 0.37 -0.05 7.34 2.43 -1.24 0.90 114.38 125.48 1k1x h ARG 338 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1k1x h ARG 338 Cb 0.75 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 1k1x h ARG 338 CO 0.02 0.25 0.00 -0.25 -1.51 0.00 0.00 179.97 178.48 1k1x n ASP 339 N -4.69 2.04 -4.16 -3.80 9.92 -1.26 -4.68 116.55 109.91 1k1x n ASP 339 Ca 0.27 -1.69 -0.39 0.00 -0.53 0.00 0.00 54.79 52.45 1k1x n ASP 339 Cb 0.93 -0.02 -0.08 0.00 -0.64 0.00 0.00 41.12 41.30 1k1x n ASP 339 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 1k1x s ASN 340 N -1.94 5.59 0.27 -2.24 3.84 0.31 -4.97 114.94 115.81 1k1x s ASN 340 Ca 0.35 -2.50 -0.02 0.00 0.21 0.00 0.00 52.86 50.90 1k1x s ASN 340 Cb 0.20 -1.94 0.60 0.00 -0.55 0.00 0.00 41.25 39.56 1k1x s ASN 340 CO 0.32 -0.50 1.64 -0.65 -2.79 0.00 0.00 177.10 175.12 1k1x h PRO 341 N 7.61 0.16 -0.18 0.43 0.11 -1.83 0.19 132.00 138.49 1k1x h PRO 341 Ca -0.06 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.96 1k1x h PRO 341 Cb 1.01 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 1k1x h PRO 341 CO 0.75 0.11 -0.26 1.49 -0.21 0.00 0.00 178.00 179.87 1k1x h GLU 342 N 0.16 0.33 0.09 1.05 4.81 -1.93 -2.36 114.58 116.73 1k1x h GLU 342 Ca 0.50 -0.12 -0.28 0.00 -0.13 0.00 0.00 59.36 59.33 1k1x h GLU 342 Cb 0.96 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 1k1x h GLU 342 CO -0.67 0.58 -1.40 0.00 -0.73 0.00 0.00 179.01 176.79 1k1x h ALA 343 N 1.43 0.30 -0.07 2.92 0.00 -1.46 -3.32 119.26 119.07 1k1x h ALA 343 Ca 0.04 -1.07 -0.07 0.00 0.00 0.00 0.00 54.91 53.82 1k1x h ALA 343 Cb 0.63 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1k1x h ALA 343 CO 0.05 1.17 -0.27 -0.09 0.00 0.00 0.00 179.25 180.11 1k1x h ARG 344 N 0.05 0.12 -0.95 0.00 2.43 -0.58 -2.60 114.38 112.84 1k1x h ARG 344 Ca -0.19 -0.04 0.18 0.00 -0.81 0.00 0.00 59.98 59.13 1k1x h ARG 344 Cb 1.96 -0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 31.40 1k1x h ARG 344 CO 0.16 0.39 0.54 -0.22 -1.51 0.00 0.00 179.97 179.32 1k1x h LYS 345 N 0.11 0.68 -0.22 0.20 3.11 -1.53 -1.70 116.57 117.22 1k1x h LYS 345 Ca 0.02 -0.04 -0.19 0.00 -2.81 0.00 0.00 60.65 57.62 1k1x h LYS 345 Cb 0.54 -0.15 0.00 0.00 -1.00 0.00 0.00 32.23 31.62 1k1x h LYS 345 CO 0.04 0.45 -0.61 1.88 -2.81 0.00 0.00 179.45 178.40 1k1x h TYR 346 N 0.70 1.04 -0.16 1.91 -1.99 -1.65 -3.24 116.97 113.58 1k1x h TYR 346 Ca 0.54 -0.41 -0.05 0.00 2.00 0.00 0.00 58.73 60.81 1k1x h TYR 346 Cb 0.83 -0.18 -0.01 0.00 2.00 0.00 0.00 36.73 39.37 1k1x h TYR 346 CO -0.04 1.23 -0.13 0.97 -0.00 0.00 0.00 178.16 180.19 1k1x h ILE 347 N 0.56 1.18 -0.64 -2.88 6.09 -1.33 -2.10 117.51 118.39 1k1x h ILE 347 Ca -0.01 -0.80 -0.07 0.00 -1.37 0.00 0.00 64.86 62.61 1k1x h ILE 347 Cb 1.23 1.20 -0.03 0.00 0.47 0.00 0.00 36.82 39.70 1k1x h ILE 347 CO 0.13 0.25 0.11 -0.07 -3.07 0.00 0.00 178.15 175.50 1k1x h LEU 348 N 0.24 1.00 -1.43 2.19 3.38 -1.46 -2.47 115.31 116.75 1k1x h LEU 348 Ca 0.05 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1k1x h LEU 348 Cb 0.38 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1k1x h LEU 348 CO 0.02 0.99 0.21 0.11 0.09 0.00 0.00 178.44 179.86 1k1x h LYS 349 N 0.98 0.59 0.00 1.13 1.57 -1.41 -1.93 116.57 117.50 1k1x h LYS 349 Ca 0.20 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1k1x h LYS 349 Cb 0.41 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1k1x h LYS 349 CO 0.01 0.46 0.00 0.00 -0.57 0.00 0.00 179.45 179.35 1k1x n ALA 350 N -2.47 1.90 0.75 3.86 0.00 -0.93 -3.21 120.51 120.41 1k1x n ALA 350 Ca 0.03 -0.08 0.10 0.00 0.00 0.00 0.00 53.44 53.49 1k1x n ALA 350 Cb 0.12 -1.26 0.27 0.00 0.00 0.00 0.00 19.45 18.58 1k1x n ALA 350 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1k1x n GLN 351 N -1.26 2.03 -1.70 0.00 6.02 -0.73 -4.83 117.38 116.92 1k1x n GLN 351 Ca 0.08 -1.57 -0.43 0.00 -0.01 0.00 0.00 57.00 55.07 1k1x n GLN 351 Cb 0.12 -1.41 -0.03 0.00 1.02 0.00 0.00 30.24 29.94 1k1x n GLN 351 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1k1x h ASN 353 N 7.70 0.76 -0.87 0.00 7.08 -1.65 -3.36 115.58 125.24 1k1x h ASN 353 Ca -0.45 -0.17 0.25 0.00 -3.08 0.00 0.00 56.30 52.85 1k1x h ASN 353 Cb 1.22 -0.20 -0.16 0.00 -2.08 0.00 0.00 38.32 37.10 1k1x h ASN 353 CO 0.95 0.73 0.06 0.47 -2.08 0.00 0.00 177.43 177.56 1k1x n ASP 354 N -4.50 -0.06 0.00 6.14 8.00 -1.26 -0.74 116.55 124.12 1k1x n ASP 354 Ca 0.03 1.47 0.11 0.00 0.71 0.00 0.00 54.79 57.11 1k1x n ASP 354 Cb 0.16 -0.55 0.52 0.00 -0.02 0.00 0.00 41.12 41.23 1k1x n ASP 354 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k1x n ALA 355 N -3.14 2.08 1.19 2.24 0.00 -1.26 -3.54 120.51 118.09 1k1x n ALA 355 Ca 0.22 -0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.70 1k1x n ALA 355 Cb 0.71 -1.36 0.38 0.00 0.00 0.00 0.00 19.45 19.18 1k1x n ALA 355 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1k1x n TYR 356 N -1.41 0.00 -4.16 0.00 4.02 0.08 -3.20 117.16 112.49 1k1x n TYR 356 Ca 0.08 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.81 1k1x n TYR 356 Cb 0.23 -0.17 -0.06 0.00 -0.02 0.00 0.00 39.34 39.31 1k1x n TYR 356 CO 0.00 0.00 0.00 1.67 -1.01 0.00 0.00 176.86 177.52 1k1x s TRP 357 N -2.65 1.26 -0.13 -0.72 1.48 -1.23 -4.81 118.94 112.14 1k1x s TRP 357 Ca 0.21 -1.39 -0.05 0.00 -1.06 0.00 0.00 56.10 53.81 1k1x s TRP 357 Cb 0.19 -0.33 0.07 0.00 -1.16 0.00 0.00 33.47 32.23 1k1x s TRP 357 CO 0.56 -0.98 0.28 -1.58 -4.06 0.00 0.00 176.95 171.17 1k1x s HIS 358 N -3.39 -0.46 0.00 1.66 2.46 -1.26 -0.70 115.29 113.60 1k1x s HIS 358 Ca 0.34 1.02 0.00 0.00 0.47 0.00 0.00 55.06 56.89 1k1x s HIS 358 Cb 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 32.58 32.46 1k1x s HIS 358 CO 0.21 -0.36 0.00 0.41 -2.47 0.00 0.00 174.74 172.53 1k1x n GLY 359 N 5.30 0.59 0.03 1.59 0.00 -1.26 -4.82 105.19 106.62 1k1x n GLY 359 Ca -0.07 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.98 1k1x n GLY 359 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1k1x n VAL 360 N 0.00 0.33 -3.62 1.61 0.24 -1.26 -4.96 118.33 110.66 1k1x n VAL 360 Ca 0.00 -0.46 -0.15 0.00 -2.04 0.00 0.00 64.34 61.68 1k1x n VAL 360 Cb 0.00 -0.10 -0.07 0.00 -1.47 0.00 0.00 33.84 32.19 1k1x n VAL 360 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 1k1x s PHE 361 N -2.90 -0.60 0.00 6.34 5.36 -1.26 -4.40 117.98 120.52 1k1x s PHE 361 Ca -0.07 1.25 0.00 0.00 -0.96 0.00 0.00 56.93 57.15 1k1x s PHE 361 Cb 0.09 0.28 0.00 0.00 -0.34 0.00 0.00 43.02 43.05 1k1x s PHE 361 CO 0.67 -0.44 0.00 0.41 -1.46 0.00 0.00 175.22 174.40 1k1x n GLY 362 N 1.84 0.71 7.00 13.12 0.00 -1.26 -5.01 105.19 121.59 1k1x n GLY 362 Ca -0.17 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.02 1k1x n GLY 362 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k1x n GLY 363 N 0.00 2.64 0.28 -0.02 0.00 -1.26 -2.29 105.19 104.54 1k1x n GLY 363 Ca 0.00 -0.41 0.14 0.00 0.00 0.00 0.00 46.02 45.75 1k1x n GLY 363 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1k1x h ILE 364 N 0.00 0.00 -0.00 -0.61 2.10 -0.88 0.07 117.51 118.19 1k1x h ILE 364 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1k1x h ILE 364 Cb 0.00 0.62 0.00 0.00 -1.09 0.00 0.00 36.82 36.35 1k1x h ILE 364 CO 0.00 0.00 -0.02 -1.22 -1.08 0.00 0.00 178.15 175.83 1k1x n TYR 365 N -2.67 0.00 -3.28 2.19 4.02 -0.97 -4.63 117.16 111.82 1k1x n TYR 365 Ca -0.02 0.00 -0.45 0.00 -0.01 0.00 0.00 57.90 57.42 1k1x n TYR 365 Cb 0.28 -0.19 -0.06 0.00 -0.02 0.00 0.00 39.34 39.35 1k1x n TYR 365 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1k1x s LEU 366 N -2.39 5.72 0.31 7.72 1.43 0.01 -4.97 118.68 126.52 1k1x s LEU 366 Ca 0.34 -1.48 0.08 0.00 -1.03 0.00 0.00 54.13 52.04 1k1x s LEU 366 Cb 0.21 -2.25 0.88 0.00 0.03 0.00 0.00 46.19 45.06 1k1x s LEU 366 CO 0.44 -0.84 1.65 -0.65 0.23 0.00 0.00 176.35 177.17 1k1x h PRO 367 N 8.91 0.24 0.00 1.29 0.11 -1.87 -0.04 132.00 140.65 1k1x h PRO 367 Ca -0.29 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.76 1k1x h PRO 367 Cb 1.10 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1k1x h PRO 367 CO 0.99 0.16 -0.20 1.12 -0.21 0.00 0.00 178.00 179.86 1k1x h HIS 368 N 0.25 0.00 0.11 0.65 2.07 -1.93 -0.09 115.15 116.21 1k1x h HIS 368 Ca 0.64 0.00 -0.27 0.00 -2.85 0.00 0.00 60.37 57.89 1k1x h HIS 368 Cb 1.38 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.35 1k1x h HIS 368 CO -0.16 0.20 -1.25 -0.07 -3.07 0.00 0.00 177.93 173.58 1k1x h LEU 369 N 0.00 0.37 -0.40 6.12 3.38 -1.29 -3.17 115.31 120.32 1k1x h LEU 369 Ca -0.00 -0.41 -0.13 0.00 0.09 0.00 0.00 57.88 57.44 1k1x h LEU 369 Cb 0.64 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1k1x h LEU 369 CO 0.03 1.32 -0.24 0.03 0.09 0.00 0.00 178.44 179.67 1k1x h ARG 370 N 0.06 0.87 -0.12 1.13 3.08 -0.99 -3.06 114.38 115.35 1k1x h ARG 370 Ca -0.13 -0.40 -0.03 0.00 0.07 0.00 0.00 59.98 59.49 1k1x h ARG 370 Cb 1.95 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.98 1k1x h ARG 370 CO 0.19 1.05 -0.06 0.00 -1.07 0.00 0.00 179.97 180.08 1k1x h ARG 371 N 0.69 0.18 -0.72 0.04 3.08 -1.10 -2.17 114.38 114.39 1k1x h ARG 371 Ca 0.08 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 60.03 1k1x h ARG 371 Cb 0.81 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.80 1k1x h ARG 371 CO 0.07 0.25 0.17 1.15 -1.07 0.00 0.00 179.97 180.54 1k1x h THR 372 N 0.18 1.26 0.20 2.04 2.02 -1.50 0.13 112.91 117.24 1k1x h THR 372 Ca 0.04 -0.99 -0.01 0.00 0.77 0.00 0.00 66.41 66.23 1k1x h THR 372 Cb 0.22 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 67.17 1k1x h THR 372 CO 0.01 0.38 -0.10 0.58 0.37 0.00 0.00 175.52 176.76 1k1x h VAL 373 N 1.09 0.90 -0.78 3.16 2.07 -1.42 -2.79 116.25 118.47 1k1x h VAL 373 Ca 0.22 -0.62 0.01 0.00 0.82 0.00 0.00 66.70 67.13 1k1x h VAL 373 Cb 0.38 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 1k1x h VAL 373 CO 0.00 0.14 0.51 -0.50 0.02 0.00 0.00 177.57 177.74 1k1x h TRP 374 N -0.58 0.99 -0.20 1.57 4.06 -1.32 -1.78 115.95 118.69 1k1x h TRP 374 Ca -0.03 0.02 0.04 0.00 2.06 0.00 0.00 58.89 60.98 1k1x h TRP 374 Cb 0.43 -0.33 -0.03 0.00 -1.00 0.00 0.00 29.16 28.22 1k1x h TRP 374 CO 0.02 0.63 -0.03 1.49 -3.56 0.00 0.00 178.44 177.00 1k1x h GLU 375 N 1.07 0.03 0.00 0.49 4.81 -0.71 -1.40 114.58 118.87 1k1x h GLU 375 Ca 0.29 -0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.40 1k1x h GLU 375 Cb -0.11 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 1k1x h GLU 375 CO -0.06 0.02 -0.53 -0.91 -0.73 0.00 0.00 179.01 176.80 1k1x h ASN 376 N 0.03 0.00 -0.19 1.04 4.21 -1.19 0.27 115.58 119.76 1k1x h ASN 376 Ca 0.10 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.58 1k1x h ASN 376 Cb 0.13 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.33 1k1x h ASN 376 CO -0.18 0.53 0.02 0.40 -1.29 0.00 0.00 177.43 176.91 1k1x h ILE 377 N 0.00 1.23 0.09 2.81 2.04 -1.03 -1.42 117.51 121.24 1k1x h ILE 377 Ca -0.01 -0.77 -0.00 0.00 1.00 0.00 0.00 64.86 65.08 1k1x h ILE 377 Cb 0.98 1.38 0.00 0.00 -0.74 0.00 0.00 36.82 38.44 1k1x h ILE 377 CO 0.07 0.23 -0.05 0.40 0.00 0.00 0.00 178.15 178.81 1k1x h ILE 378 N 0.10 1.02 -0.06 -0.67 2.04 -1.06 -0.17 117.51 118.71 1k1x h ILE 378 Ca 0.06 -0.41 0.02 0.00 1.00 0.00 0.00 64.86 65.53 1k1x h ILE 378 Cb 0.33 1.28 -0.00 0.00 -0.74 0.00 0.00 36.82 37.69 1k1x h ILE 378 CO 0.01 0.10 0.06 0.11 0.00 0.00 0.00 178.15 178.43 1k1x h LYS 379 N -0.31 0.00 0.03 2.37 1.57 -0.93 0.27 116.57 119.56 1k1x h LYS 379 Ca -0.01 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 1k1x h LYS 379 Cb 0.26 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.58 1k1x h LYS 379 CO 0.02 0.00 -0.22 0.00 -0.57 0.00 0.00 179.45 178.68 1k1x h ALA 380 N 1.93 -0.01 -0.11 3.86 0.00 -0.82 -3.35 119.26 120.77 1k1x h ALA 380 Ca 0.03 -0.51 -0.09 0.00 0.00 0.00 0.00 54.91 54.33 1k1x h ALA 380 Cb 0.15 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1k1x h ALA 380 CO -0.00 0.08 -0.35 0.37 0.00 0.00 0.00 179.25 179.35 1k1x h GLN 381 N -0.72 0.22 0.00 0.00 4.15 -0.17 -3.05 115.11 115.55 1k1x h GLN 381 Ca -0.03 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.30 1k1x h GLN 381 Cb 1.09 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.77 1k1x h GLN 381 CO 0.04 0.54 0.18 0.07 -1.93 0.00 0.00 178.83 177.74 1k1x h ARG 382 N 0.19 0.00 0.00 1.69 0.11 -0.64 0.18 114.38 115.92 1k1x h ARG 382 Ca 0.02 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.10 1k1x h ARG 382 Cb 0.71 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.79 1k1x h ARG 382 CO 0.05 0.00 0.00 0.66 0.10 0.00 0.00 179.97 180.78 1k1x n TYR 383 N -2.45 0.89 -3.62 4.08 4.02 -1.15 -4.81 117.16 114.11 1k1x n TYR 383 Ca -0.02 0.30 -0.28 0.00 -0.01 0.00 0.00 57.90 57.89 1k1x n TYR 383 Cb 0.22 -0.98 -0.03 0.00 -0.02 0.00 0.00 39.34 38.52 1k1x n TYR 383 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1k1x s LEU 384 N -4.52 4.20 0.17 7.72 1.43 0.63 -5.07 118.68 123.24 1k1x s LEU 384 Ca 0.08 0.50 -0.30 0.00 -1.03 0.00 0.00 54.13 53.37 1k1x s LEU 384 Cb 0.11 -3.27 -0.08 0.00 0.03 0.00 0.00 46.19 42.99 1k1x s LEU 384 CO 0.50 -0.05 1.16 -0.54 0.23 0.00 0.00 176.35 177.65 1k1x s LYS 385 N -3.23 4.52 0.38 1.70 1.02 -1.26 -4.96 119.74 117.91 1k1x s LYS 385 Ca 0.40 1.80 -0.25 0.00 0.02 0.00 0.00 55.97 57.94 1k1x s LYS 385 Cb -0.11 -3.27 -0.12 0.00 -0.52 0.00 0.00 37.83 33.82 1k1x s LYS 385 CO 0.28 -0.05 1.04 -2.30 -0.92 0.00 0.00 175.35 173.40 1k1x n PRO 386 N 2.61 1.43 -3.59 -1.68 -0.02 -1.26 -4.99 135.00 127.50 1k1x n PRO 386 Ca 0.04 0.51 -0.01 0.00 -2.02 0.00 0.00 63.50 62.02 1k1x n PRO 386 Cb 0.45 -2.03 -0.04 0.00 -0.02 0.00 0.00 33.50 31.86 1k1x n PRO 386 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1k1x s GLU 387 N -1.89 0.52 0.22 -0.52 2.12 -1.26 -5.01 118.70 112.87 1k1x s GLU 387 Ca 0.61 1.23 -0.30 0.00 0.36 0.00 0.00 54.97 56.87 1k1x s GLU 387 Cb -0.59 0.65 -0.08 0.00 0.26 0.00 0.00 34.13 34.37 1k1x s GLU 387 CO 0.58 -0.17 1.02 -0.80 -0.54 0.00 0.00 175.26 175.36 1k1x s ASN 388 N 2.57 7.45 -0.01 -1.70 0.01 -1.26 -4.67 114.94 117.32 1k1x s ASN 388 Ca -0.06 2.04 -0.18 0.00 -0.71 0.00 0.00 52.86 53.95 1k1x s ASN 388 Cb -0.09 -2.61 0.03 0.00 0.41 0.00 0.00 41.25 38.99 1k1x s ASN 388 CO -0.19 -0.03 0.39 -1.59 -1.51 0.00 0.00 177.10 174.17 1k1x s LYS 389 N -0.89 0.77 -0.22 -0.60 -2.85 -0.63 -5.00 119.74 110.31 1k1x s LYS 389 Ca 0.45 -0.13 -0.05 0.00 -1.00 0.00 0.00 55.97 55.24 1k1x s LYS 389 Cb -0.28 0.35 -0.02 0.00 -2.06 0.00 0.00 37.83 35.82 1k1x s LYS 389 CO 0.35 -0.22 -0.00 0.42 0.10 0.00 0.00 175.35 175.99 1k1x s ILE 390 N -1.42 3.80 -0.09 3.79 -1.09 -1.26 -0.96 121.20 123.96 1k1x s ILE 390 Ca -0.12 -0.35 -0.30 0.00 -2.23 0.00 0.00 60.65 57.65 1k1x s ILE 390 Cb -0.04 -2.74 0.11 0.00 -1.58 0.00 0.00 42.46 38.22 1k1x s ILE 390 CO 0.05 0.40 0.92 -1.48 -1.23 0.00 0.00 174.94 173.60 1k1x s LEU 391 N 1.33 -0.41 -0.69 2.97 2.34 -0.29 -4.92 118.68 119.01 1k1x s LEU 391 Ca 0.04 0.32 -0.25 0.00 0.06 0.00 0.00 54.13 54.30 1k1x s LEU 391 Cb -0.15 2.01 0.05 0.00 -0.56 0.00 0.00 46.19 47.54 1k1x s LEU 391 CO 0.00 -0.47 1.13 -0.62 -1.06 0.00 0.00 176.35 175.34 1k1x s ASP 392 N -1.55 6.19 -0.07 1.48 2.15 -1.26 0.12 116.67 123.73 1k1x s ASP 392 Ca -0.01 -0.62 -0.27 0.00 0.43 0.00 0.00 52.55 52.08 1k1x s ASP 392 Cb -0.01 -2.50 -0.23 0.00 -0.30 0.00 0.00 42.92 39.89 1k1x s ASP 392 CO -0.01 -1.63 1.06 0.58 -0.17 0.00 0.00 175.17 175.00 1k1x h VAL 393 N 6.01 1.56 -0.60 1.11 2.07 -1.91 -3.35 116.25 121.14 1k1x h VAL 393 Ca -0.28 -1.68 -0.23 0.00 0.82 0.00 0.00 66.70 65.33 1k1x h VAL 393 Cb 1.06 2.68 -0.14 0.00 -1.52 0.00 0.00 31.29 33.37 1k1x h VAL 393 CO 1.23 0.44 0.29 -0.90 0.02 0.00 0.00 177.57 178.65 1k1x n ASP 394 N -4.72 3.88 -3.99 0.57 3.85 -1.26 -4.81 116.55 110.06 1k1x n ASP 394 Ca -0.09 -2.97 -0.31 0.00 -0.71 0.00 0.00 54.79 50.71 1k1x n ASP 394 Cb 0.37 -0.70 -0.02 0.00 -1.35 0.00 0.00 41.12 39.42 1k1x n ASP 394 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.20 176.68 1k1x n PHE 395 N -0.25 -1.58 0.06 2.11 0.99 -1.26 -4.88 117.46 112.66 1k1x n PHE 395 Ca 0.34 0.55 0.01 0.00 -0.00 0.00 0.00 57.45 58.36 1k1x n PHE 395 Cb 1.19 -3.34 0.02 0.00 -1.00 0.00 0.00 39.48 36.35 1k1x n PHE 395 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.76 176.36 1k1x n ASP 396 N -2.77 1.64 0.00 4.37 5.68 -1.26 -4.99 116.55 119.22 1k1x n ASP 396 Ca -0.24 -1.47 0.00 0.00 -0.50 0.00 0.00 54.79 52.58 1k1x n ASP 396 Cb 0.65 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.61 1k1x n ASP 396 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1k1x n GLY 397 N 0.01 0.82 3.01 6.12 0.00 -1.26 -5.01 105.19 108.89 1k1x n GLY 397 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 1k1x n GLY 397 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k1x s ARG 398 N -0.16 1.58 0.28 1.61 0.52 -1.26 -5.04 118.95 116.48 1k1x s ARG 398 Ca 0.00 -1.99 -0.19 0.00 -0.52 0.00 0.00 55.73 53.03 1k1x s ARG 398 Cb 0.00 -3.24 -0.13 0.00 0.52 0.00 0.00 34.95 32.10 1k1x s ARG 398 CO 0.00 -0.97 0.18 0.00 0.02 0.00 0.00 175.30 174.53 1k1x n ALA 399 N 4.09 -2.65 -2.82 2.13 0.00 -1.26 -4.78 120.51 115.22 1k1x n ALA 399 Ca 0.04 0.18 -0.22 0.00 0.00 0.00 0.00 53.44 53.44 1k1x n ALA 399 Cb 0.41 -1.24 -0.04 0.00 0.00 0.00 0.00 19.45 18.57 1k1x n ALA 399 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1k1x s GLU 400 N -0.82 2.92 -0.20 0.00 8.01 0.32 -4.47 118.70 124.46 1k1x s GLU 400 Ca 0.50 -1.05 0.01 0.00 0.01 0.00 0.00 54.97 54.44 1k1x s GLU 400 Cb -0.60 -2.56 0.04 0.00 -4.31 0.00 0.00 34.13 26.69 1k1x s GLU 400 CO 0.50 0.40 -0.15 0.42 0.01 0.00 0.00 175.26 176.44 1k1x s ILE 401 N -2.13 1.93 -0.31 -1.63 1.01 -0.02 -1.14 121.20 118.92 1k1x s ILE 401 Ca 0.33 -1.09 -0.08 0.00 0.00 0.00 0.00 60.65 59.80 1k1x s ILE 401 Cb -0.08 -1.89 0.01 0.00 0.01 0.00 0.00 42.46 40.51 1k1x s ILE 401 CO 0.25 0.30 0.12 -0.04 0.00 0.00 0.00 174.94 175.57 1k1x s MET 402 N 1.29 3.14 -0.10 2.79 -1.94 -0.14 -0.16 119.30 124.18 1k1x s MET 402 Ca 0.00 -0.84 -0.03 0.00 -1.71 0.00 0.00 55.69 53.12 1k1x s MET 402 Cb -0.15 -3.49 -0.03 0.00 2.01 0.00 0.00 34.83 33.16 1k1x s MET 402 CO -0.10 -0.47 0.01 0.08 -0.01 0.00 0.00 175.02 174.53 1k1x s VAL 403 N 1.55 4.36 -0.15 -6.03 1.01 0.39 -1.61 120.40 119.92 1k1x s VAL 403 Ca 0.03 -0.22 -0.26 0.00 0.00 0.00 0.00 61.98 61.53 1k1x s VAL 403 Cb -0.17 -2.85 0.06 0.00 0.00 0.00 0.00 36.38 33.42 1k1x s VAL 403 CO 0.04 0.59 0.64 -1.83 0.00 0.00 0.00 175.10 174.54 1k1x s GLU 404 N -0.71 0.88 0.00 2.72 -1.05 -1.26 -0.17 118.70 119.11 1k1x s GLU 404 Ca 0.11 0.56 0.00 0.00 -0.15 0.00 0.00 54.97 55.50 1k1x s GLU 404 Cb -0.12 0.42 0.00 0.00 -0.44 0.00 0.00 34.13 33.99 1k1x s GLU 404 CO 0.02 -0.20 0.00 0.27 0.95 0.00 0.00 175.26 176.31 1k1x n ASN 405 N 1.87 1.58 0.00 0.83 0.23 -0.88 -4.38 115.26 114.51 1k1x n ASN 405 Ca -0.17 -0.19 0.13 0.00 -0.53 0.00 0.00 54.58 53.83 1k1x n ASN 405 Cb 0.56 0.00 0.60 0.00 -2.08 0.00 0.00 39.78 38.86 1k1x n ASN 405 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1k1x n ASP 406 N -0.27 0.00 -0.02 0.53 8.00 -1.26 -3.79 116.55 119.75 1k1x n ASP 406 Ca 0.00 0.43 0.02 0.00 0.71 0.00 0.00 54.79 55.95 1k1x n ASP 406 Cb 0.00 -0.48 -0.07 0.00 -0.02 0.00 0.00 41.12 40.55 1k1x n ASP 406 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1k1x n GLY 407 N 1.31 -0.42 3.08 0.44 0.00 -1.26 -4.81 105.19 103.53 1k1x n GLY 407 Ca 0.07 -0.19 -0.07 0.00 0.00 0.00 0.00 46.02 45.83 1k1x n GLY 407 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1k1x s PHE 408 N -2.51 0.48 -0.16 1.61 0.40 -1.25 -0.09 117.98 116.46 1k1x s PHE 408 Ca -0.04 -0.99 -0.00 0.00 -0.60 0.00 0.00 56.93 55.30 1k1x s PHE 408 Cb 0.05 -0.36 0.04 0.00 0.51 0.00 0.00 43.02 43.26 1k1x s PHE 408 CO 0.37 -0.36 -0.06 0.42 0.70 0.00 0.00 175.22 176.30 1k1x s ILE 409 N -3.61 1.10 -0.17 0.64 1.01 -0.56 -2.06 121.20 117.56 1k1x s ILE 409 Ca 0.04 -0.59 -0.01 0.00 0.00 0.00 0.00 60.65 60.09 1k1x s ILE 409 Cb 0.06 -1.26 -0.01 0.00 0.01 0.00 0.00 42.46 41.26 1k1x s ILE 409 CO -0.09 0.16 -0.11 0.00 0.00 0.00 0.00 174.94 174.90 1k1x s ALA 410 N 1.64 2.65 -0.25 9.38 0.00 0.76 -0.53 121.76 135.41 1k1x s ALA 410 Ca 0.01 -1.03 -0.05 0.00 0.00 0.00 0.00 51.96 50.89 1k1x s ALA 410 Cb -0.15 -1.38 -0.00 0.00 0.00 0.00 0.00 23.12 21.59 1k1x s ALA 410 CO -0.08 -0.07 0.01 0.99 0.00 0.00 0.00 175.76 176.62 1k1x s THR 411 N 0.87 3.67 -0.01 0.00 2.01 0.44 -0.46 115.64 122.15 1k1x s THR 411 Ca -0.03 -0.55 0.02 0.00 0.31 0.00 0.00 61.69 61.44 1k1x s THR 411 Cb -0.15 -2.77 -0.03 0.00 0.01 0.00 0.00 72.50 69.56 1k1x s THR 411 CO 0.00 0.28 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.53 1k1x s ILE 412 N 1.49 3.81 -0.57 1.82 1.01 0.77 -0.67 121.20 128.87 1k1x s ILE 412 Ca 0.04 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.03 1k1x s ILE 412 Cb -0.16 -2.65 0.14 0.00 0.01 0.00 0.00 42.46 39.81 1k1x s ILE 412 CO -0.00 0.43 0.35 -0.54 0.00 0.00 0.00 174.94 175.17 1k1x s LYS 413 N -1.34 2.27 0.42 2.79 1.02 -0.88 -0.84 119.74 123.18 1k1x s LYS 413 Ca 0.17 -2.52 0.18 0.00 0.02 0.00 0.00 55.97 53.82 1k1x s LYS 413 Cb -0.11 -3.55 1.10 0.00 -0.52 0.00 0.00 37.83 34.75 1k1x s LYS 413 CO 0.07 -1.14 1.85 -1.35 -0.92 0.00 0.00 175.35 173.86 1k1x h PRO 414 N 6.88 0.38 0.00 -1.68 0.11 -1.86 -0.86 132.00 134.97 1k1x h PRO 414 Ca -0.05 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1k1x h PRO 414 Cb 0.93 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1k1x h PRO 414 CO 0.70 0.25 0.00 1.12 -0.21 0.00 0.00 178.00 179.86 1k1x h HIS 415 N 0.39 0.00 -3.05 0.65 2.07 -1.85 0.11 115.15 113.48 1k1x h HIS 415 Ca 0.48 0.00 -0.62 0.00 -2.85 0.00 0.00 60.37 57.38 1k1x h HIS 415 Cb 1.23 0.00 -0.41 0.00 2.57 0.00 0.00 27.41 30.79 1k1x h HIS 415 CO -0.00 0.00 -0.64 -0.47 -3.07 0.00 0.00 177.93 173.75 1k1x s TYR 416 N -3.60 3.09 0.00 6.12 5.04 -0.35 -2.71 117.35 124.94 1k1x s TYR 416 Ca 0.02 -3.12 0.00 0.00 -2.44 0.00 0.00 57.07 51.52 1k1x s TYR 416 Cb 0.09 -2.45 0.00 0.00 0.35 0.00 0.00 41.96 39.95 1k1x s TYR 416 CO 0.49 -0.63 0.00 0.41 -1.34 0.00 0.00 175.55 174.48 1k1x n GLY 417 N 2.40 0.20 2.42 8.97 0.00 -0.25 -3.23 105.19 115.70 1k1x n GLY 417 Ca 0.17 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.04 1k1x n GLY 417 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k1x n GLY 418 N -0.64 -0.41 3.99 -0.02 0.00 -1.11 -4.74 105.19 102.27 1k1x n GLY 418 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1k1x n GLY 418 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1k1x s SER 419 N -2.05 5.74 -0.27 1.61 1.04 -1.20 -4.79 113.70 113.78 1k1x s SER 419 Ca 0.00 -0.23 -0.26 0.00 0.48 0.00 0.00 55.95 55.94 1k1x s SER 419 Cb 0.00 -0.96 0.00 0.00 0.10 0.00 0.00 66.02 65.16 1k1x s SER 419 CO 0.00 -0.68 0.92 -0.63 0.98 0.00 0.00 173.24 173.83 1k1x s ILE 420 N -2.35 4.72 -0.70 -1.02 1.01 0.59 -2.08 121.20 121.36 1k1x s ILE 420 Ca 0.51 1.60 0.22 0.00 0.00 0.00 0.00 60.65 62.98 1k1x s ILE 420 Cb -0.10 -4.24 -0.19 0.00 0.01 0.00 0.00 42.46 37.95 1k1x s ILE 420 CO 0.33 -0.24 0.92 0.49 0.00 0.00 0.00 174.94 176.44 1k1x n PHE 421 N 6.33 0.10 -3.72 3.97 3.01 0.15 0.04 117.46 127.34 1k1x n PHE 421 Ca 0.08 0.03 -0.12 0.00 1.01 0.00 0.00 57.45 58.45 1k1x n PHE 421 Cb 0.47 -0.26 -0.13 0.00 -0.01 0.00 0.00 39.48 39.56 1k1x n PHE 421 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1k1x s GLU 422 N -3.16 0.24 -0.37 -1.08 2.12 -1.10 -4.81 118.70 110.54 1k1x s GLU 422 Ca 0.04 0.61 0.00 0.00 0.36 0.00 0.00 54.97 55.98 1k1x s GLU 422 Cb 0.15 -0.09 0.14 0.00 0.26 0.00 0.00 34.13 34.59 1k1x s GLU 422 CO 0.84 -0.17 0.21 -1.17 -0.54 0.00 0.00 175.26 174.43 1k1x s LEU 423 N 1.39 1.44 -0.11 2.70 2.96 -1.25 -0.42 118.68 125.39 1k1x s LEU 423 Ca -0.09 -2.27 -0.16 0.00 -0.22 0.00 0.00 54.13 51.40 1k1x s LEU 423 Cb -0.10 -0.57 -0.05 0.00 0.50 0.00 0.00 46.19 45.97 1k1x s LEU 423 CO -0.09 -0.30 0.40 -0.44 -1.32 0.00 0.00 176.35 174.60 1k1x s SER 424 N 0.92 6.63 -0.39 3.68 0.01 0.31 -1.39 113.70 123.48 1k1x s SER 424 Ca 0.18 0.75 -0.19 0.00 1.31 0.00 0.00 55.95 58.00 1k1x s SER 424 Cb -0.23 -2.25 0.01 0.00 0.21 0.00 0.00 66.02 63.76 1k1x s SER 424 CO -0.00 0.10 0.55 -0.55 0.41 0.00 0.00 173.24 173.74 1k1x s SER 425 N 0.21 6.31 0.48 2.44 0.15 -0.03 -1.49 113.70 121.76 1k1x s SER 425 Ca 0.23 -0.20 0.24 0.00 0.70 0.00 0.00 55.95 56.92 1k1x s SER 425 Cb -0.15 -2.28 1.23 0.00 -1.71 0.00 0.00 66.02 63.11 1k1x s SER 425 CO 0.09 -0.59 1.98 0.11 1.20 0.00 0.00 173.24 176.04 1k1x h LYS 426 N 8.62 0.00 0.04 5.44 1.57 -0.82 0.62 116.57 132.05 1k1x h LYS 426 Ca -0.27 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1k1x h LYS 426 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.42 1k1x h LYS 426 CO 0.81 0.18 -0.02 -0.09 -0.57 0.00 0.00 179.45 179.76 1k1x h ARG 427 N 0.00 -0.06 0.00 3.15 2.43 -1.89 -3.32 114.38 114.69 1k1x h ARG 427 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1k1x h ARG 427 Cb 0.47 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 1k1x h ARG 427 CO 0.02 0.59 -0.21 1.63 -1.51 0.00 0.00 179.97 180.50 1k1x n LYS 428 N -4.76 0.17 -3.80 0.20 5.02 -1.18 -4.94 118.16 108.86 1k1x n LYS 428 Ca -0.08 0.10 -0.24 0.00 -2.02 0.00 0.00 58.31 56.07 1k1x n LYS 428 Cb 0.33 -1.66 0.02 0.00 -0.02 0.00 0.00 35.03 33.70 1k1x n LYS 428 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1k1x n ALA 429 N -1.69 -1.87 -2.41 7.82 0.00 0.22 -4.98 120.51 117.60 1k1x n ALA 429 Ca 0.05 -0.12 -0.12 0.00 0.00 0.00 0.00 53.44 53.25 1k1x n ALA 429 Cb 0.40 -2.32 -0.11 0.00 0.00 0.00 0.00 19.45 17.42 1k1x n ALA 429 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1k1x s VAL 430 N -3.66 0.75 -0.32 0.00 0.11 -1.17 -4.01 120.40 112.10 1k1x s VAL 430 Ca 0.13 -1.67 -0.05 0.00 -2.93 0.00 0.00 61.98 57.47 1k1x s VAL 430 Cb -0.07 -1.37 0.04 0.00 -1.53 0.00 0.00 36.38 33.46 1k1x s VAL 430 CO 0.83 -0.67 0.06 0.21 -3.33 0.00 0.00 175.10 172.20 1k1x s ASN 431 N -2.56 5.13 0.48 3.54 3.04 -1.26 -0.85 114.94 122.46 1k1x s ASN 431 Ca 0.05 -1.15 0.30 0.00 0.04 0.00 0.00 52.86 52.11 1k1x s ASN 431 Cb -0.00 -1.81 1.63 0.00 -1.54 0.00 0.00 41.25 39.52 1k1x s ASN 431 CO -0.02 -0.29 1.90 1.88 -3.04 0.00 0.00 177.10 177.53 1k1x h TYR 432 N 8.14 0.00 -0.40 0.43 -1.99 -1.62 -0.45 116.97 121.08 1k1x h TYR 432 Ca -0.23 0.00 -0.19 0.00 2.00 0.00 0.00 58.73 60.31 1k1x h TYR 432 Cb 1.08 0.00 -0.11 0.00 2.00 0.00 0.00 36.73 39.70 1k1x h TYR 432 CO 0.60 0.00 -0.00 -1.71 -0.00 0.00 0.00 178.16 177.05 1k1x n ASN 433 N -2.60 2.76 -3.41 3.88 5.15 -1.26 -1.22 115.26 118.57 1k1x n ASN 433 Ca -0.02 -3.67 -0.35 0.00 -0.60 0.00 0.00 54.58 49.94 1k1x n ASN 433 Cb 0.12 -0.64 -0.03 0.00 -0.53 0.00 0.00 39.78 38.70 1k1x n ASN 433 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1k1x n ASP 434 N -1.05 5.15 -4.56 1.20 -0.08 -0.18 -4.82 116.55 112.21 1k1x n ASP 434 Ca 0.34 -2.56 -0.27 0.00 -1.51 0.00 0.00 54.79 50.80 1k1x n ASP 434 Cb 1.08 -1.32 -0.10 0.00 2.34 0.00 0.00 41.12 43.12 1k1x n ASP 434 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1k1x s VAL 435 N 3.42 1.55 -0.01 5.18 1.01 -1.26 -4.71 120.40 125.58 1k1x s VAL 435 Ca 0.52 -2.00 0.02 0.00 0.00 0.00 0.00 61.98 60.53 1k1x s VAL 435 Cb 0.14 -2.78 -0.01 0.00 0.00 0.00 0.00 36.38 33.73 1k1x s VAL 435 CO -0.02 0.00 -0.08 -0.76 0.00 0.00 0.00 175.10 174.25 1k1x s LEU 436 N -3.66 2.01 1.01 3.92 1.43 -1.26 -5.00 118.68 117.13 1k1x s LEU 436 Ca 0.31 -0.14 -0.15 0.00 -1.03 0.00 0.00 54.13 53.12 1k1x s LEU 436 Cb 0.08 -0.39 0.20 0.00 0.03 0.00 0.00 46.19 46.10 1k1x s LEU 436 CO 0.15 0.09 1.18 -2.16 0.23 0.00 0.00 176.35 175.84 1k1x s PRO 437 N -0.18 0.33 -0.39 1.29 0.04 -1.26 -4.91 135.00 129.92 1k1x s PRO 437 Ca 0.03 0.01 -0.19 0.00 0.04 0.00 0.00 61.00 60.89 1k1x s PRO 437 Cb -0.03 -1.77 0.01 0.00 0.04 0.00 0.00 34.50 32.75 1k1x s PRO 437 CO -0.00 -2.70 0.58 1.03 0.04 0.00 0.00 177.00 175.95 1k1x s ARG 438 N -5.46 3.47 0.10 4.56 0.52 -1.26 -4.97 118.95 115.90 1k1x s ARG 438 Ca 0.68 -0.23 0.09 0.00 -0.52 0.00 0.00 55.73 55.75 1k1x s ARG 438 Cb -0.11 -3.87 -0.04 0.00 0.52 0.00 0.00 34.95 31.46 1k1x s ARG 438 CO 0.54 -0.81 -0.20 1.03 0.02 0.00 0.00 175.30 175.89 1k1x s ARG 439 N 2.59 1.79 -0.07 3.54 0.52 -1.26 -0.15 118.95 125.92 1k1x s ARG 439 Ca 0.21 -1.16 -0.27 0.00 -0.52 0.00 0.00 55.73 53.99 1k1x s ARG 439 Cb -0.15 -2.10 -0.03 0.00 0.52 0.00 0.00 34.95 33.20 1k1x s ARG 439 CO 0.16 0.49 0.85 -0.46 0.02 0.00 0.00 175.30 176.36 1k1x s TRP 440 N -1.07 3.57 -0.02 -0.53 -0.00 -1.26 -4.94 118.94 114.68 1k1x s TRP 440 Ca 0.16 1.44 0.02 0.00 -0.00 0.00 0.00 56.10 57.72 1k1x s TRP 440 Cb -0.10 -2.99 -0.03 0.00 -0.00 0.00 0.00 33.47 30.35 1k1x s TRP 440 CO 0.08 -0.03 -0.06 -1.21 -0.00 0.00 0.00 176.95 175.73 1k1x s GLU 441 N 1.23 2.65 0.48 5.86 0.41 -1.26 -4.75 118.70 123.32 1k1x s GLU 441 Ca 0.44 -0.64 0.26 0.00 -0.41 0.00 0.00 54.97 54.61 1k1x s GLU 441 Cb -0.19 -2.56 1.31 0.00 -1.78 0.00 0.00 34.13 30.92 1k1x s GLU 441 CO 0.20 0.63 1.85 1.12 -0.49 0.00 0.00 175.26 178.57 1k1x h HIS 442 N 4.77 0.27 0.00 1.61 2.07 -1.95 0.83 115.15 122.74 1k1x h HIS 442 Ca -0.49 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.04 1k1x h HIS 442 Cb 1.17 -0.08 0.00 0.00 2.57 0.00 0.00 27.41 31.07 1k1x h HIS 442 CO 0.58 0.05 0.00 2.48 -3.07 0.00 0.00 177.93 177.97 1k1x n TYR 443 N -4.39 0.00 1.23 6.12 0.18 -1.26 -2.66 117.16 116.38 1k1x n TYR 443 Ca 0.21 0.00 0.12 0.00 1.88 0.00 0.00 57.90 60.10 1k1x n TYR 443 Cb 0.91 0.00 0.63 0.00 -0.38 0.00 0.00 39.34 40.50 1k1x n TYR 443 CO 0.00 0.00 0.00 0.72 -2.08 0.00 0.00 176.86 175.50 1k1x n HIS 444 N -0.91 0.00 -3.99 -3.48 8.25 0.29 -4.61 115.22 110.77 1k1x n HIS 444 Ca 0.15 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.26 1k1x n HIS 444 Cb 0.07 -0.21 -0.13 0.00 1.12 0.00 0.00 29.99 30.84 1k1x n HIS 444 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1k1x s GLU 445 N -2.42 3.50 0.00 -0.41 2.12 -1.09 -5.01 118.70 115.40 1k1x s GLU 445 Ca 0.26 -0.57 0.00 0.00 0.36 0.00 0.00 54.97 55.02 1k1x s GLU 445 Cb 0.16 -3.06 0.00 0.00 0.26 0.00 0.00 34.13 31.49 1k1x s GLU 445 CO 0.34 -0.10 0.00 1.55 -0.54 0.00 0.00 175.26 176.51 1k1x n VAL 446 N 4.55 0.00 -3.52 3.70 3.14 -1.26 -5.10 118.33 119.84 1k1x n VAL 446 Ca -0.18 0.00 -0.14 0.00 -2.96 0.00 0.00 64.34 61.07 1k1x n VAL 446 Cb 0.51 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 33.25 1k1x n VAL 446 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 1k1x s GLN 469 N 2.67 0.94 0.16 1.45 0.74 -1.26 -5.25 119.66 119.10 1k1x s GLN 469 Ca 0.00 0.04 -0.33 0.00 0.05 0.00 0.00 55.36 55.13 1k1x s GLN 469 Cb 0.00 0.44 -0.12 0.00 1.10 0.00 0.00 33.01 34.42 1k1x s GLN 469 CO 0.00 -0.33 1.70 -0.89 -0.55 0.00 0.00 175.29 175.22 1k1x n ILE 470 N 0.51 0.10 -0.17 -2.34 5.41 -1.26 -4.92 119.36 116.69 1k1x n ILE 470 Ca -0.15 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.58 1k1x n ILE 470 Cb 0.59 -1.84 0.00 0.00 -0.71 0.00 0.00 39.64 37.69 1k1x n ILE 470 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1k1x n PRO 471 N 4.21 -0.43 -0.03 0.38 -0.02 -1.26 -4.98 135.00 132.86 1k1x n PRO 471 Ca 0.17 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.62 1k1x n PRO 471 Cb 0.33 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.75 1k1x n PRO 471 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1k1x n GLU 472 N -1.01 2.83 0.00 -0.52 4.07 -1.26 -4.01 120.64 120.74 1k1x n GLU 472 Ca 0.00 -0.00 0.05 0.00 -0.06 0.00 0.00 57.16 57.15 1k1x n GLU 472 Cb 0.00 -1.18 0.31 0.00 -0.06 0.00 0.00 31.44 30.51 1k1x n GLU 472 CO 0.00 0.00 0.00 -0.85 -0.06 0.00 0.00 177.13 176.22 1k1x n GLU 473 N -2.26 0.40 -0.01 5.31 0.28 -1.26 -2.58 120.64 120.51 1k1x n GLU 473 Ca -0.11 0.00 -0.02 0.00 -0.16 0.00 0.00 57.16 56.86 1k1x n GLU 473 Cb 0.72 -1.41 -0.01 0.00 1.43 0.00 0.00 31.44 32.17 1k1x n GLU 473 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 1k1x n ILE 474 N -0.91 0.15 -0.28 3.84 5.41 -1.26 -4.56 119.36 121.75 1k1x n ILE 474 Ca 0.08 -0.05 0.10 0.00 1.00 0.00 0.00 62.75 63.87 1k1x n ILE 474 Cb 0.04 -0.97 0.24 0.00 -0.71 0.00 0.00 39.64 38.23 1k1x n ILE 474 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 1k1x h ARG 475 N -0.04 0.20 -0.79 0.38 9.65 -1.63 0.39 114.38 122.55 1k1x h ARG 475 Ca -0.06 -0.01 0.04 0.00 -1.10 0.00 0.00 59.98 58.84 1k1x h ARG 475 Cb 1.08 -0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 29.57 1k1x h ARG 475 CO -0.02 0.14 0.52 -0.09 2.80 0.00 0.00 179.97 183.31 1k1x h ARG 476 N 0.21 0.93 -1.55 0.20 2.43 -1.80 -2.83 114.38 111.96 1k1x h ARG 476 Ca 0.49 -0.06 -0.68 0.00 -0.81 0.00 0.00 59.98 58.93 1k1x h ARG 476 Cb 0.94 -0.21 -0.33 0.00 -0.42 0.00 0.00 29.97 29.95 1k1x h ARG 476 CO -0.62 0.61 0.31 -1.91 -1.51 0.00 0.00 179.97 176.85 1k1x n GLU 477 N -4.45 3.03 -4.06 0.20 4.07 0.13 -4.95 120.64 114.61 1k1x n GLU 477 Ca 0.10 -3.84 -0.24 0.00 -0.06 0.00 0.00 57.16 53.12 1k1x n GLU 477 Cb 0.12 -2.27 -0.17 0.00 -0.06 0.00 0.00 31.44 29.07 1k1x n GLU 477 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 1k1x s LEU 478 N -3.83 1.19 0.08 4.31 0.20 -0.92 -4.97 118.68 114.74 1k1x s LEU 478 Ca 0.53 -0.23 -0.05 0.00 0.69 0.00 0.00 54.13 55.06 1k1x s LEU 478 Cb 0.44 -0.70 -0.02 0.00 -0.43 0.00 0.00 46.19 45.48 1k1x s LEU 478 CO -0.23 -0.09 0.11 0.00 -0.29 0.00 0.00 176.35 175.84 1k1x s ALA 479 N 1.41 0.16 -0.04 5.97 0.00 -1.26 -5.01 121.76 122.99 1k1x s ALA 479 Ca -0.02 -0.94 0.05 0.00 0.00 0.00 0.00 51.96 51.06 1k1x s ALA 479 Cb -0.13 0.48 -0.01 0.00 0.00 0.00 0.00 23.12 23.45 1k1x s ALA 479 CO -0.04 -0.47 -0.20 0.71 0.00 0.00 0.00 175.76 175.76 1k1x s TYR 480 N -3.91 1.95 0.48 0.00 4.12 -1.26 -4.73 117.35 114.00 1k1x s TYR 480 Ca 0.09 -0.52 -0.08 0.00 0.02 0.00 0.00 57.07 56.58 1k1x s TYR 480 Cb 0.06 -1.29 -0.05 0.00 -1.52 0.00 0.00 41.96 39.17 1k1x s TYR 480 CO -0.09 -0.15 0.83 -0.51 0.02 0.00 0.00 175.55 175.65 1k1x s ASP 481 N -0.15 6.33 -0.01 2.29 1.01 0.79 -4.83 116.67 122.11 1k1x s ASP 481 Ca -0.01 1.07 0.06 0.00 0.71 0.00 0.00 52.55 54.39 1k1x s ASP 481 Cb -0.11 -2.31 -0.08 0.00 1.01 0.00 0.00 42.92 41.43 1k1x s ASP 481 CO 0.02 -0.58 0.17 -2.67 0.21 0.00 0.00 175.17 172.32 1k1x n TRP 482 N -2.08 0.00 -4.10 4.23 4.27 -1.26 -4.88 117.44 113.62 1k1x n TRP 482 Ca 0.02 0.00 -0.24 0.00 -3.89 0.00 0.00 57.50 53.39 1k1x n TRP 482 Cb 0.55 -0.09 -0.05 0.00 -1.36 0.00 0.00 31.31 30.36 1k1x n TRP 482 CO 0.00 0.00 0.00 1.14 -2.29 0.00 0.00 177.69 176.54 1k1x s GLN 483 N -2.09 2.90 0.54 -2.67 -2.07 -1.26 -5.09 119.66 109.92 1k1x s GLN 483 Ca -0.01 -0.96 -0.05 0.00 -1.82 0.00 0.00 55.36 52.52 1k1x s GLN 483 Cb 0.04 -2.60 -0.01 0.00 -1.09 0.00 0.00 33.01 29.35 1k1x s GLN 483 CO 0.24 0.44 0.84 -0.51 -1.32 0.00 0.00 175.29 174.98 1k1x s LEU 484 N -3.45 3.42 -0.23 2.60 1.43 -1.26 -4.85 118.68 116.34 1k1x s LEU 484 Ca 0.32 0.76 -0.04 0.00 -1.03 0.00 0.00 54.13 54.14 1k1x s LEU 484 Cb -0.09 -3.64 -0.00 0.00 0.03 0.00 0.00 46.19 42.48 1k1x s LEU 484 CO 0.24 -0.84 -0.04 -0.13 0.23 0.00 0.00 176.35 175.81 1k1x s ARG 485 N -4.86 3.28 0.00 1.70 0.52 -1.26 -5.04 118.95 113.29 1k1x s ARG 485 Ca 0.51 -0.69 0.00 0.00 -0.52 0.00 0.00 55.73 55.03 1k1x s ARG 485 Cb -0.10 -3.03 0.00 0.00 0.52 0.00 0.00 34.95 32.34 1k1x s ARG 485 CO 0.44 -0.24 0.00 0.00 0.02 0.00 0.00 175.30 175.52 1k1x n ALA 486 N 4.78 0.00 -3.54 2.13 0.00 -1.26 -4.91 120.51 117.72 1k1x n ALA 486 Ca -0.18 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 52.94 1k1x n ALA 486 Cb 0.50 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.79 1k1x n ALA 486 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1k1x s ILE 487 N -0.17 2.19 0.00 0.00 1.01 0.11 -1.74 121.20 122.60 1k1x s ILE 487 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 60.65 59.71 1k1x s ILE 487 Cb 0.00 -1.88 0.00 0.00 0.01 0.00 0.00 42.46 40.59 1k1x s ILE 487 CO 0.00 0.54 0.00 0.18 0.00 0.00 0.00 174.94 175.66 1k1x n LEU 488 N 3.96 -1.82 -4.46 2.97 4.77 0.13 -0.30 117.00 122.25 1k1x n LEU 488 Ca -0.20 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.40 1k1x n LEU 488 Cb 0.52 -0.52 -0.12 0.00 -2.33 0.00 0.00 43.42 40.97 1k1x n LEU 488 CO 0.28 0.00 -0.21 -1.10 -1.33 0.00 0.00 177.39 175.02 1k1x s GLN 489 N -2.91 3.45 -0.54 3.23 -0.21 -0.30 -4.33 119.66 118.05 1k1x s GLN 489 Ca 0.00 -0.64 -0.29 0.00 0.02 0.00 0.00 55.36 54.46 1k1x s GLN 489 Cb 0.00 -3.54 0.03 0.00 1.00 0.00 0.00 33.01 30.50 1k1x s GLN 489 CO 0.00 -0.36 1.18 -0.51 -2.12 0.00 0.00 175.29 173.49 1k1x s ASP 490 N 1.63 6.51 0.40 5.90 1.01 -1.26 -0.82 116.67 130.04 1k1x s ASP 490 Ca 0.05 0.26 0.08 0.00 0.71 0.00 0.00 52.55 53.65 1k1x s ASP 490 Cb -0.17 -2.55 -0.01 0.00 1.01 0.00 0.00 42.92 41.21 1k1x s ASP 490 CO 0.06 -1.40 0.47 -1.00 0.21 0.00 0.00 175.17 173.52 1k1x s HIS 491 N 4.80 2.83 -0.27 4.23 3.76 0.19 -3.54 115.29 127.30 1k1x s HIS 491 Ca 0.45 -0.39 -0.01 0.00 -0.15 0.00 0.00 55.06 54.97 1k1x s HIS 491 Cb -0.07 -2.21 0.15 0.00 1.11 0.00 0.00 32.58 31.55 1k1x s HIS 491 CO 0.28 -0.22 0.39 -0.06 -0.85 0.00 0.00 174.74 174.28 1k1x s PHE 492 N -2.36 -0.89 0.21 1.40 0.40 -1.26 -1.97 117.98 113.51 1k1x s PHE 492 Ca 0.50 0.58 0.08 0.00 -0.60 0.00 0.00 56.93 57.49 1k1x s PHE 492 Cb -0.08 -0.07 -0.05 0.00 0.51 0.00 0.00 43.02 43.34 1k1x s PHE 492 CO 0.31 -0.84 -0.15 0.96 0.70 0.00 0.00 175.22 176.20 1k1x s ILE 493 N 2.54 1.78 0.26 0.64 -4.36 -0.69 0.42 121.20 121.79 1k1x s ILE 493 Ca 0.11 -2.20 -0.29 0.00 -0.26 0.00 0.00 60.65 58.01 1k1x s ILE 493 Cb -0.14 -2.04 -0.09 0.00 1.25 0.00 0.00 42.46 41.44 1k1x s ILE 493 CO -0.23 -0.57 1.14 -0.54 0.24 0.00 0.00 174.94 174.99 1k1x s LYS 494 N -3.57 4.57 0.15 0.37 1.02 -1.26 -0.45 119.74 120.57 1k1x s LYS 494 Ca 0.22 1.87 0.07 0.00 0.02 0.00 0.00 55.97 58.16 1k1x s LYS 494 Cb -0.01 -3.19 0.41 0.00 -0.52 0.00 0.00 37.83 34.52 1k1x s LYS 494 CO 0.07 0.10 1.13 -2.30 -0.92 0.00 0.00 175.35 173.43 1k1x n PRO 495 N 1.45 0.05 0.14 -1.68 -0.02 -1.26 -0.67 135.00 133.01 1k1x n PRO 495 Ca 0.00 0.48 0.12 0.00 -2.02 0.00 0.00 63.50 62.08 1k1x n PRO 495 Cb 0.44 -1.81 0.12 0.00 -0.02 0.00 0.00 33.50 32.23 1k1x n PRO 495 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1k1x h GLU 496 N 0.00 0.00 -7.15 -0.52 5.08 -1.97 -3.48 114.58 106.54 1k1x h GLU 496 Ca 0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 1k1x h GLU 496 Cb 0.30 0.00 0.18 0.00 0.50 0.00 0.00 28.75 29.73 1k1x h GLU 496 CO 0.00 0.00 0.36 -1.91 -1.00 0.00 0.00 179.01 176.46 1k1x n GLU 497 N -2.70 0.48 -4.38 2.33 4.07 0.16 -5.04 120.64 115.57 1k1x n GLU 497 Ca 0.02 0.23 -0.27 0.00 -0.06 0.00 0.00 57.16 57.08 1k1x n GLU 497 Cb 0.52 -2.45 -0.13 0.00 -0.06 0.00 0.00 31.44 29.32 1k1x n GLU 497 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 1k1x s THR 498 N -1.88 2.16 0.41 6.31 -4.23 -1.26 -5.03 115.64 112.12 1k1x s THR 498 Ca 0.76 -1.79 0.17 0.00 -1.18 0.00 0.00 61.69 59.65 1k1x s THR 498 Cb -0.32 -1.94 0.37 0.00 1.34 0.00 0.00 72.50 71.95 1k1x s THR 498 CO 0.48 -0.00 1.86 0.25 -0.54 0.00 0.00 174.62 176.66 1k1x h LEU 499 N 3.74 0.42 -0.71 4.79 7.12 -1.99 -1.19 115.31 127.49 1k1x h LEU 499 Ca -0.49 0.04 -0.13 0.00 0.13 0.00 0.00 57.88 57.43 1k1x h LEU 499 Cb 1.18 -0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 41.26 1k1x h LEU 499 CO 0.42 0.17 -0.44 0.44 -0.13 0.00 0.00 178.44 178.91 1k1x h ASP 500 N 0.43 0.50 1.49 1.25 3.32 -1.99 -1.86 116.42 119.56 1k1x h ASP 500 Ca 0.46 -0.23 -0.06 0.00 0.02 0.00 0.00 57.03 57.23 1k1x h ASP 500 Cb 1.12 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 1k1x h ASP 500 CO -0.18 0.88 -0.26 0.78 -1.72 0.00 0.00 179.24 178.73 1k1x h ASN 501 N 0.38 0.00 0.05 6.45 4.21 -1.65 -3.03 115.58 121.99 1k1x h ASN 501 Ca 0.03 0.00 -0.09 0.00 1.21 0.00 0.00 56.30 57.45 1k1x h ASN 501 Cb 0.92 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 38.13 1k1x h ASN 501 CO 0.08 0.26 -0.40 0.22 -1.29 0.00 0.00 177.43 176.31 1k1x h TYR 502 N 0.00 0.31 0.00 1.19 3.20 -1.25 0.57 116.97 120.98 1k1x h TYR 502 Ca -0.00 -0.20 0.00 0.00 3.14 0.00 0.00 58.73 61.67 1k1x h TYR 502 Cb 1.08 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.33 1k1x h TYR 502 CO 0.00 1.09 0.00 2.89 -1.64 0.00 0.00 178.16 180.50 1k1x n ARG 503 N -4.39 0.14 -0.28 1.82 1.85 -0.71 -2.13 116.66 112.96 1k1x n ARG 503 Ca -0.11 0.38 0.07 0.00 -1.00 0.00 0.00 57.85 57.19 1k1x n ARG 503 Cb 0.62 -1.77 0.20 0.00 -1.05 0.00 0.00 32.46 30.46 1k1x n ARG 503 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1k1x n LEU 504 N -2.03 3.33 -3.47 2.89 4.77 -1.15 -4.88 117.00 116.47 1k1x n LEU 504 Ca 0.02 -2.27 -0.25 0.00 -0.03 0.00 0.00 56.01 53.48 1k1x n LEU 504 Cb 0.21 -0.34 0.01 0.00 -2.33 0.00 0.00 43.42 40.96 1k1x n LEU 504 CO 0.18 0.74 -0.00 0.52 -1.33 0.00 0.00 177.39 177.49 1k1x n VAL 505 N 0.37 -1.32 -0.01 4.08 0.31 -0.91 -4.76 118.33 116.09 1k1x n VAL 505 Ca 0.15 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.55 1k1x n VAL 505 Cb 0.58 -2.22 -0.12 0.00 -0.91 0.00 0.00 33.84 31.16 1k1x n VAL 505 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1k1x n LYS 506 N -3.98 0.58 -0.11 5.55 5.02 0.60 -5.01 118.16 120.80 1k1x n LYS 506 Ca -0.01 -0.13 -0.09 0.00 -2.02 0.00 0.00 58.31 56.06 1k1x n LYS 506 Cb 0.55 -1.38 0.09 0.00 -0.02 0.00 0.00 35.03 34.26 1k1x n LYS 506 CO 0.00 0.00 0.00 2.48 -0.52 0.00 0.00 177.40 179.36 1k1x n TYR 507 N -2.10 -2.23 -3.91 2.13 0.18 0.17 -4.98 117.16 106.42 1k1x n TYR 507 Ca -0.05 -0.19 -0.30 0.00 1.88 0.00 0.00 57.90 59.24 1k1x n TYR 507 Cb 0.47 -0.46 -0.16 0.00 -0.38 0.00 0.00 39.34 38.81 1k1x n TYR 507 CO 0.00 0.00 0.00 -1.58 -2.08 0.00 0.00 176.86 173.20 1k1x s HIS 508 N -1.26 2.21 -0.51 -3.48 5.65 -1.26 -5.03 115.29 111.61 1k1x s HIS 508 Ca 0.19 -1.64 -0.27 0.00 0.25 0.00 0.00 55.06 53.59 1k1x s HIS 508 Cb -0.03 -1.51 0.03 0.00 -1.18 0.00 0.00 32.58 29.88 1k1x s HIS 508 CO 0.16 -0.75 1.05 -2.00 -0.65 0.00 0.00 174.74 172.55 1k1x s GLU 509 N 1.46 3.55 0.33 2.88 2.56 -1.26 -4.56 118.70 123.67 1k1x s GLU 509 Ca -0.05 0.23 0.15 0.00 0.00 0.00 0.00 54.97 55.31 1k1x s GLU 509 Cb -0.19 -3.96 0.55 0.00 2.00 0.00 0.00 34.13 32.53 1k1x s GLU 509 CO -0.07 -1.42 1.68 -0.07 -0.56 0.00 0.00 175.26 174.83 1k1x h LEU 510 N 11.13 0.00-10.45 2.70 3.38 -0.28 -3.46 115.31 118.34 1k1x h LEU 510 Ca -0.24 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.31 1k1x h LEU 510 Cb 1.07 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.84 1k1x h LEU 510 CO 1.10 0.47 -0.24 -0.83 0.09 0.00 0.00 178.44 179.03 1k1x s GLY 511 N -4.40 1.94 -0.33 0.83 0.00 -1.23 0.36 107.32 104.49 1k1x s GLY 511 Ca -0.00 -1.65 0.09 0.00 0.00 0.00 0.00 44.72 43.15 1k1x s GLY 511 CO 0.72 -1.46 1.14 2.09 0.00 0.00 0.00 173.10 175.58 1k1x n ASP 512 N -1.89 4.16 -0.05 1.64 5.75 -1.22 -4.72 116.55 120.22 1k1x n ASP 512 Ca 0.08 -3.43 0.07 0.00 -0.01 0.00 0.00 54.79 51.50 1k1x n ASP 512 Cb 0.59 -0.41 -0.07 0.00 -1.03 0.00 0.00 41.12 40.21 1k1x n ASP 512 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1k1x n PHE 513 N -0.58 0.00 0.12 2.11 3.01 -1.26 -4.27 117.46 116.59 1k1x n PHE 513 Ca 0.35 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.68 1k1x n PHE 513 Cb 0.85 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 40.24 1k1x n PHE 513 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1k1x h VAL 514 N 0.23 0.77 -0.49 -4.37 2.07 -1.84 -3.37 116.25 109.24 1k1x h VAL 514 Ca 0.00 -0.73 -0.33 0.00 0.82 0.00 0.00 66.70 66.46 1k1x h VAL 514 Cb 0.35 1.15 -0.22 0.00 -1.52 0.00 0.00 31.29 31.04 1k1x h VAL 514 CO 0.00 0.14 -0.35 -0.46 0.02 0.00 0.00 177.57 176.92 1k1x n ASN 515 N -5.07 3.73 -4.38 0.57 2.04 -1.26 -2.99 115.26 107.89 1k1x n ASN 515 Ca -0.09 -3.81 -0.25 0.00 -0.44 0.00 0.00 54.58 50.00 1k1x n ASN 515 Cb 0.26 -0.54 -0.12 0.00 -2.53 0.00 0.00 39.78 36.85 1k1x n ASN 515 CO 0.00 0.00 0.00 -1.10 -0.44 0.00 0.00 177.26 175.72 1k1x s GLN 516 N -3.44 1.39 0.85 -3.83 -1.52 -1.26 -4.72 119.66 107.13 1k1x s GLN 516 Ca 0.48 -1.46 -0.13 0.00 -1.95 0.00 0.00 55.36 52.30 1k1x s GLN 516 Cb 0.41 -1.61 0.08 0.00 -0.22 0.00 0.00 33.01 31.67 1k1x s GLN 516 CO -0.00 0.34 0.99 -2.30 -0.25 0.00 0.00 175.29 174.07 1k1x n PRO 517 N 0.33 -0.03 -4.17 2.91 -0.02 -1.10 -1.09 135.00 131.82 1k1x n PRO 517 Ca -0.13 0.06 -0.16 0.00 -2.02 0.00 0.00 63.50 61.25 1k1x n PRO 517 Cb 0.56 -2.27 -0.13 0.00 -0.02 0.00 0.00 33.50 31.65 1k1x n PRO 517 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1k1x s TYR 518 N -2.26 0.84 0.46 6.00 1.51 0.39 -4.79 117.35 119.51 1k1x s TYR 518 Ca 0.68 -0.37 -0.12 0.00 -1.01 0.00 0.00 57.07 56.25 1k1x s TYR 518 Cb -0.27 -0.50 -0.06 0.00 -0.11 0.00 0.00 41.96 41.01 1k1x s TYR 518 CO 0.56 -0.02 0.86 -1.21 -1.11 0.00 0.00 175.55 174.63 1k1x s GLU 519 N -1.19 3.79 0.07 -0.62 0.41 0.14 -4.63 118.70 116.67 1k1x s GLU 519 Ca -0.04 0.62 -0.07 0.00 -0.41 0.00 0.00 54.97 55.07 1k1x s GLU 519 Cb -0.08 -2.28 -0.01 0.00 -1.78 0.00 0.00 34.13 29.98 1k1x s GLU 519 CO 0.01 -0.17 0.15 1.52 -0.49 0.00 0.00 175.26 176.28 1k1x s TYR 520 N -2.55 0.19 -0.15 1.61 -0.85 -1.26 -1.19 117.35 113.15 1k1x s TYR 520 Ca 0.54 -0.58 -0.06 0.00 -0.52 0.00 0.00 57.07 56.45 1k1x s TYR 520 Cb -0.10 -0.11 0.07 0.00 0.38 0.00 0.00 41.96 42.20 1k1x s TYR 520 CO 0.34 -0.48 0.31 -2.00 -1.52 0.00 0.00 175.55 172.21 1k1x s GLU 521 N -3.47 0.21 0.34 -3.49 2.12 0.00 -4.97 118.70 109.44 1k1x s GLU 521 Ca 0.02 0.80 -0.29 0.00 0.36 0.00 0.00 54.97 55.87 1k1x s GLU 521 Cb 0.03 0.05 -0.10 0.00 0.26 0.00 0.00 34.13 34.37 1k1x s GLU 521 CO -0.09 -0.26 1.34 -1.64 -0.54 0.00 0.00 175.26 174.07 1k1x s MET 522 N 2.28 4.32 -0.01 4.30 -1.94 -1.26 -1.34 119.30 125.64 1k1x s MET 522 Ca -0.01 2.27 -0.07 0.00 -1.71 0.00 0.00 55.69 56.18 1k1x s MET 522 Cb -0.12 -3.05 -0.02 0.00 2.01 0.00 0.00 34.83 33.64 1k1x s MET 522 CO -0.10 -0.25 -0.13 0.44 -0.01 0.00 0.00 175.02 174.98 1k1x n ILE 523 N 0.77 1.27 0.00 2.53 -5.35 -1.08 -4.90 119.36 112.59 1k1x n ILE 523 Ca 0.00 0.27 0.00 0.00 -0.27 0.00 0.00 62.75 62.75 1k1x n ILE 523 Cb 0.41 -1.85 0.00 0.00 -1.74 0.00 0.00 39.64 36.46 1k1x n ILE 523 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1k1x n GLU 524 N -3.82 0.00 -0.78 6.28 4.07 -1.26 -4.91 120.64 120.22 1k1x n GLU 524 Ca -0.07 0.00 -0.00 0.00 -0.06 0.00 0.00 57.16 57.03 1k1x n GLU 524 Cb 0.23 0.00 0.27 0.00 -0.06 0.00 0.00 31.44 31.89 1k1x n GLU 524 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1k1x n ASN 525 N 0.00 4.09 0.00 4.31 3.02 -1.26 -5.02 115.26 120.40 1k1x n ASN 525 Ca 0.00 -3.25 0.00 0.00 -0.03 0.00 0.00 54.58 51.30 1k1x n ASN 525 Cb 0.00 -0.65 0.00 0.00 -0.61 0.00 0.00 39.78 38.52 1k1x n ASN 525 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k1x n GLY 526 N -0.44 -0.75 3.27 7.41 0.00 -1.26 -0.27 105.19 113.14 1k1x n GLY 526 Ca 0.32 -0.33 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1k1x n GLY 526 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1k1x s VAL 527 N -4.00 0.05 -0.22 1.61 -7.23 0.16 -2.65 120.40 108.12 1k1x s VAL 527 Ca 0.00 -0.43 -0.05 0.00 -1.81 0.00 0.00 61.98 59.69 1k1x s VAL 527 Cb 0.00 -0.65 -0.02 0.00 0.56 0.00 0.00 36.38 36.27 1k1x s VAL 527 CO 0.00 -0.23 0.00 -0.75 -0.31 0.00 0.00 175.10 173.81 1k1x s LYS 528 N -1.31 3.54 0.06 4.82 2.20 -0.45 -0.38 119.74 128.22 1k1x s LYS 528 Ca -0.13 -0.55 0.08 0.00 -0.36 0.00 0.00 55.97 55.01 1k1x s LYS 528 Cb -0.05 -3.12 -0.03 0.00 -1.51 0.00 0.00 37.83 33.12 1k1x s LYS 528 CO 0.05 -0.12 -0.23 -0.51 -0.36 0.00 0.00 175.35 174.18 1k1x s LEU 529 N 1.34 2.21 -0.03 5.43 1.02 -0.31 -0.82 118.68 127.52 1k1x s LEU 529 Ca 0.04 -0.59 -0.23 0.00 0.02 0.00 0.00 54.13 53.38 1k1x s LEU 529 Cb -0.15 -1.06 0.05 0.00 0.02 0.00 0.00 46.19 45.05 1k1x s LEU 529 CO 0.01 0.17 0.49 -1.66 0.02 0.00 0.00 176.35 175.37 1k1x s TRP 530 N -0.89 -0.41 -0.02 0.29 -2.14 -0.33 -1.37 118.94 114.07 1k1x s TRP 530 Ca 0.09 0.67 0.01 0.00 2.66 0.00 0.00 56.10 59.53 1k1x s TRP 530 Cb -0.09 0.25 0.01 0.00 -3.10 0.00 0.00 33.47 30.54 1k1x s TRP 530 CO 0.03 -0.51 -0.03 0.50 -2.66 0.00 0.00 176.95 174.28 1k1x s ARG 531 N -1.34 0.47 -0.89 3.25 3.52 -0.46 0.28 118.95 123.79 1k1x s ARG 531 Ca -0.12 -0.07 -0.14 0.00 -0.13 0.00 0.00 55.73 55.27 1k1x s ARG 531 Cb -0.03 -0.52 0.22 0.00 -1.56 0.00 0.00 34.95 33.06 1k1x s ARG 531 CO 0.07 -0.02 0.86 -1.83 -0.81 0.00 0.00 175.30 173.57 1k1x s GLU 532 N 0.52 3.71 0.00 5.12 1.03 -1.26 -1.70 118.70 126.12 1k1x s GLU 532 Ca -0.06 -2.53 0.00 0.00 0.03 0.00 0.00 54.97 52.41 1k1x s GLU 532 Cb -0.09 -4.50 0.00 0.00 -0.80 0.00 0.00 34.13 28.74 1k1x s GLU 532 CO -0.01 -1.33 0.00 0.41 -1.33 0.00 0.00 175.26 173.01 1k1x n GLY 533 N 3.89 2.47 3.54 -3.83 0.00 -0.79 -4.99 105.19 105.48 1k1x n GLY 533 Ca 0.17 -0.48 -0.08 0.00 0.00 0.00 0.00 46.02 45.64 1k1x n GLY 533 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1k1x s GLY 534 N 0.00 -0.38 -0.29 -0.02 0.00 -1.26 -2.39 107.32 102.98 1k1x s GLY 534 Ca 0.00 1.34 -0.06 0.00 0.00 0.00 0.00 44.72 46.00 1k1x s GLY 534 CO 0.00 0.50 0.07 0.14 0.00 0.00 0.00 173.10 173.80 1k1x s VAL 535 N -2.62 3.84 -0.23 1.40 1.01 0.25 -3.39 120.40 120.66 1k1x s VAL 535 Ca 0.05 -0.74 -0.10 0.00 0.00 0.00 0.00 61.98 61.19 1k1x s VAL 535 Cb -0.01 -2.98 -0.05 0.00 0.00 0.00 0.00 36.38 33.34 1k1x s VAL 535 CO -0.06 0.08 0.15 -0.31 0.00 0.00 0.00 175.10 174.96 1k1x s TYR 536 N 1.48 3.35 0.00 5.22 1.51 0.16 -0.94 117.35 128.12 1k1x s TYR 536 Ca 0.02 0.26 0.00 0.00 -1.01 0.00 0.00 57.07 56.34 1k1x s TYR 536 Cb -0.17 -2.23 0.00 0.00 -0.11 0.00 0.00 41.96 39.45 1k1x s TYR 536 CO 0.02 0.14 0.00 0.00 -1.11 0.00 0.00 175.55 174.60 1k1x n ALA 537 N 4.02 0.00 -0.06 3.71 0.00 -1.26 -4.56 120.51 122.36 1k1x n ALA 537 Ca -0.15 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.15 1k1x n ALA 537 Cb 0.52 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.83 1k1x n ALA 537 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1k1x n GLU 538 N 0.00 0.68 -4.36 0.00 4.71 -1.26 -4.92 120.64 115.49 1k1x n GLU 538 Ca 0.00 0.17 -0.26 0.00 -0.01 0.00 0.00 57.16 57.06 1k1x n GLU 538 Cb 0.00 -1.65 -0.12 0.00 -1.01 0.00 0.00 31.44 28.66 1k1x n GLU 538 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 1k1x s GLU 539 N -2.54 1.34 -0.54 3.49 2.12 -1.26 -5.11 118.70 116.20 1k1x s GLU 539 Ca -0.15 -1.36 -0.20 0.00 0.36 0.00 0.00 54.97 53.62 1k1x s GLU 539 Cb 0.07 -1.67 0.07 0.00 0.26 0.00 0.00 34.13 32.86 1k1x s GLU 539 CO 0.77 0.38 0.71 0.21 -0.54 0.00 0.00 175.26 176.79 1k1x s LYS 540 N -2.30 3.13 -0.45 4.30 2.20 -1.26 -4.55 119.74 120.81 1k1x s LYS 540 Ca 0.14 -0.90 -0.18 0.00 -0.36 0.00 0.00 55.97 54.67 1k1x s LYS 540 Cb -0.09 -4.14 0.04 0.00 -1.51 0.00 0.00 37.83 32.13 1k1x s LYS 540 CO 0.07 -1.37 0.52 0.42 -0.36 0.00 0.00 175.35 174.62 1k1x s ILE 541 N 2.92 5.00 -0.19 5.43 1.09 -0.12 -4.92 121.20 130.42 1k1x s ILE 541 Ca 0.17 -0.39 -0.29 0.00 -1.10 0.00 0.00 60.65 59.04 1k1x s ILE 541 Cb -0.19 -4.15 -0.04 0.00 -1.06 0.00 0.00 42.46 37.02 1k1x s ILE 541 CO 0.11 -0.58 1.84 -2.16 -0.10 0.00 0.00 174.94 174.05 1k1x s PRO 542 N 2.34 3.63 0.46 2.79 0.04 -1.26 0.85 135.00 143.85 1k1x s PRO 542 Ca 0.14 1.87 0.07 0.00 0.04 0.00 0.00 61.00 63.12 1k1x s PRO 542 Cb -0.18 -4.16 0.00 0.00 0.04 0.00 0.00 34.50 30.21 1k1x s PRO 542 CO 0.13 -1.51 0.44 0.00 0.04 0.00 0.00 177.00 176.10 1k1x s ALA 543 N 6.03 4.23 -0.12 8.56 0.00 -1.01 -2.19 121.76 137.27 1k1x s ALA 543 Ca 0.82 -1.79 -0.04 0.00 0.00 0.00 0.00 51.96 50.95 1k1x s ALA 543 Cb -0.29 -1.05 0.06 0.00 0.00 0.00 0.00 23.12 21.84 1k1x s ALA 543 CO 0.33 -0.34 0.21 0.50 0.00 0.00 0.00 175.76 176.46 1k1x s ARG 544 N -4.23 0.10 -0.15 0.00 3.52 -0.67 -1.89 118.95 115.63 1k1x s ARG 544 Ca 0.47 0.57 -0.04 0.00 -0.13 0.00 0.00 55.73 56.60 1k1x s ARG 544 Cb -0.04 -0.34 -0.03 0.00 -1.56 0.00 0.00 34.95 32.98 1k1x s ARG 544 CO 0.28 -0.36 -0.03 0.08 -0.81 0.00 0.00 175.30 174.47 1k1x s VAL 545 N 2.34 3.99 -0.04 7.11 1.01 -0.69 -1.55 120.40 132.58 1k1x s VAL 545 Ca 0.03 -0.32 0.06 0.00 0.00 0.00 0.00 61.98 61.74 1k1x s VAL 545 Cb -0.13 -2.75 -0.01 0.00 0.00 0.00 0.00 36.38 33.49 1k1x s VAL 545 CO -0.08 0.50 -0.21 -1.61 0.00 0.00 0.00 175.10 173.70 1k1x s GLU 546 N 0.28 2.05 -0.08 2.72 2.02 -0.94 -1.35 118.70 123.41 1k1x s GLU 546 Ca -0.03 -0.77 -0.06 0.00 0.02 0.00 0.00 54.97 54.14 1k1x s GLU 546 Cb -0.14 -1.82 0.03 0.00 0.10 0.00 0.00 34.13 32.30 1k1x s GLU 546 CO 0.03 0.36 0.19 -1.59 0.02 0.00 0.00 175.26 174.27 1k1x s LYS 547 N -0.21 0.19 -0.30 1.61 -2.85 -0.47 -0.74 119.74 116.98 1k1x s LYS 547 Ca 0.00 0.34 0.00 0.00 -1.00 0.00 0.00 55.97 55.31 1k1x s LYS 547 Cb -0.11 0.01 0.06 0.00 -2.06 0.00 0.00 37.83 35.72 1k1x s LYS 547 CO 0.02 -0.08 -0.02 0.21 0.10 0.00 0.00 175.35 175.58 1k1x s LYS 548 N 0.54 2.28 -0.20 1.78 2.20 -0.46 -1.17 119.74 124.72 1k1x s LYS 548 Ca -0.04 -1.36 -0.14 0.00 -0.36 0.00 0.00 55.97 54.07 1k1x s LYS 548 Cb -0.05 -3.11 -0.04 0.00 -1.51 0.00 0.00 37.83 33.12 1k1x s LYS 548 CO -0.03 -0.65 0.30 0.42 -0.36 0.00 0.00 175.35 175.03 1k1x s ILE 549 N 1.17 5.28 -0.02 5.43 1.01 0.49 -2.31 121.20 132.25 1k1x s ILE 549 Ca -0.05 0.52 0.01 0.00 0.00 0.00 0.00 60.65 61.13 1k1x s ILE 549 Cb -0.20 -3.63 0.01 0.00 0.01 0.00 0.00 42.46 38.64 1k1x s ILE 549 CO -0.03 0.33 -0.04 -1.61 0.00 0.00 0.00 174.94 173.59 1k1x s GLU 550 N 0.92 0.50 0.29 2.79 2.02 -0.35 -0.66 118.70 124.20 1k1x s GLU 550 Ca 0.15 -0.12 -0.27 0.00 0.02 0.00 0.00 54.97 54.76 1k1x s GLU 550 Cb -0.14 -0.53 -0.09 0.00 0.10 0.00 0.00 34.13 33.47 1k1x s GLU 550 CO 0.05 0.02 0.93 -0.51 0.02 0.00 0.00 175.26 175.77 1k1x s LEU 551 N 0.36 4.45 0.00 1.80 1.43 0.63 -0.34 118.68 127.01 1k1x s LEU 551 Ca -0.04 1.85 0.02 0.00 -1.03 0.00 0.00 54.13 54.93 1k1x s LEU 551 Cb -0.08 -3.84 0.02 0.00 0.03 0.00 0.00 46.19 42.32 1k1x s LEU 551 CO -0.00 0.02 0.15 0.35 0.23 0.00 0.00 176.35 177.09 1k1x n THR 552 N 0.91 0.00 0.24 5.49 -2.24 0.70 -4.88 114.28 114.50 1k1x n THR 552 Ca 0.00 -1.86 0.09 0.00 -2.27 0.00 0.00 64.05 60.02 1k1x n THR 552 Cb 0.49 0.16 0.60 0.00 -2.10 0.00 0.00 70.33 69.48 1k1x n THR 552 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1k1x h GLU 553 N 0.00 0.00 -0.92 -0.78 5.08 -1.98 -3.27 114.58 112.71 1k1x h GLU 553 Ca -0.31 0.00 -0.39 0.00 -1.00 0.00 0.00 59.36 57.66 1k1x h GLU 553 Cb 1.03 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.87 1k1x h GLU 553 CO 0.51 0.18 -1.06 -0.40 -1.00 0.00 0.00 179.01 177.25 1k1x n ASP 554 N -3.81 2.39 0.00 1.42 5.75 -1.26 -4.80 116.55 116.24 1k1x n ASP 554 Ca -0.02 -2.81 0.00 0.00 -0.01 0.00 0.00 54.79 51.95 1k1x n ASP 554 Cb 0.29 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 39.89 1k1x n ASP 554 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1k1x n GLY 555 N -0.34 0.46 3.62 6.12 0.00 -1.23 -0.33 105.19 113.48 1k1x n GLY 555 Ca 0.17 -1.15 -0.10 0.00 0.00 0.00 0.00 46.02 44.95 1k1x n GLY 555 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1k1x s PHE 556 N -0.34 0.40 0.01 1.61 -0.12 -1.02 -0.21 117.98 118.31 1k1x s PHE 556 Ca 0.00 -0.79 0.00 0.00 -0.05 0.00 0.00 56.93 56.10 1k1x s PHE 556 Cb 0.00 0.26 -0.01 0.00 -0.63 0.00 0.00 43.02 42.64 1k1x s PHE 556 CO 0.00 -1.10 -0.02 -1.50 -0.05 0.00 0.00 175.22 172.55 1k1x s ILE 557 N -3.68 0.13 -0.11 -4.49 1.10 0.54 -1.26 121.20 113.43 1k1x s ILE 557 Ca 0.22 -0.33 -0.03 0.00 -0.51 0.00 0.00 60.65 60.00 1k1x s ILE 557 Cb -0.02 -0.16 0.04 0.00 0.15 0.00 0.00 42.46 42.47 1k1x s ILE 557 CO 0.11 -0.13 0.05 0.00 -2.11 0.00 0.00 174.94 172.86 1k1x s ALA 558 N -0.48 0.51 -0.25 1.50 0.00 0.48 -1.21 121.76 122.31 1k1x s ALA 558 Ca -0.04 -0.17 -0.15 0.00 0.00 0.00 0.00 51.96 51.60 1k1x s ALA 558 Cb -0.03 -0.86 -0.04 0.00 0.00 0.00 0.00 23.12 22.19 1k1x s ALA 558 CO -0.00 -0.80 0.36 0.15 0.00 0.00 0.00 175.76 175.47 1k1x s LYS 559 N 2.07 4.05 0.23 0.00 1.02 -0.98 -1.16 119.74 124.96 1k1x s LYS 559 Ca 0.03 0.04 0.04 0.00 0.02 0.00 0.00 55.97 56.11 1k1x s LYS 559 Cb -0.14 -3.62 -0.03 0.00 -0.52 0.00 0.00 37.83 33.51 1k1x s LYS 559 CO -0.06 -0.20 0.35 0.71 -0.92 0.00 0.00 175.35 175.23 1k1x s TYR 560 N 1.83 3.46 -0.42 3.18 1.51 -0.01 -1.36 117.35 125.55 1k1x s TYR 560 Ca 0.15 0.03 0.06 0.00 -1.01 0.00 0.00 57.07 56.30 1k1x s TYR 560 Cb -0.15 -1.61 0.17 0.00 -0.11 0.00 0.00 41.96 40.26 1k1x s TYR 560 CO 0.09 0.44 0.56 0.50 -1.11 0.00 0.00 175.55 176.04 1k1x s ARG 561 N -3.83 0.81 -0.15 -0.62 3.52 0.08 -3.27 118.95 115.50 1k1x s ARG 561 Ca 0.34 -0.62 -0.17 0.00 -0.13 0.00 0.00 55.73 55.15 1k1x s ARG 561 Cb -0.09 -0.21 -0.04 0.00 -1.56 0.00 0.00 34.95 33.04 1k1x s ARG 561 CO 0.29 -1.22 0.43 0.08 -0.81 0.00 0.00 175.30 174.07 1k1x s VAL 562 N 1.51 5.21 -0.07 7.11 1.01 -0.76 -2.20 120.40 132.20 1k1x s VAL 562 Ca 0.19 0.83 -0.01 0.00 0.00 0.00 0.00 61.98 62.99 1k1x s VAL 562 Cb -0.06 -3.77 0.03 0.00 0.00 0.00 0.00 36.38 32.58 1k1x s VAL 562 CO -0.06 0.32 -0.00 -0.22 0.00 0.00 0.00 175.10 175.13 1k1x s LEU 563 N 0.78 0.64 -0.00 3.92 0.20 -0.59 -2.87 118.68 120.75 1k1x s LEU 563 Ca 0.23 -0.10 -0.13 0.00 0.69 0.00 0.00 54.13 54.82 1k1x s LEU 563 Cb -0.15 -0.47 -0.05 0.00 -0.43 0.00 0.00 46.19 45.09 1k1x s LEU 563 CO 0.08 -0.19 0.37 -0.76 -0.29 0.00 0.00 176.35 175.57 1k1x s LEU 564 N 1.94 4.44 0.25 -0.68 1.02 -1.11 -1.66 118.68 122.88 1k1x s LEU 564 Ca 0.05 0.86 -0.04 0.00 0.02 0.00 0.00 54.13 55.02 1k1x s LEU 564 Cb -0.12 -2.59 0.31 0.00 0.02 0.00 0.00 46.19 43.81 1k1x s LEU 564 CO -0.05 0.31 1.82 -0.08 0.02 0.00 0.00 176.35 178.37 1k1x h GLU 565 N 4.56 1.01 -4.39 1.70 4.81 -1.77 -3.44 114.58 117.05 1k1x h GLU 565 Ca -0.52 -0.18 -0.30 0.00 -0.13 0.00 0.00 59.36 58.23 1k1x h GLU 565 Cb 1.22 -0.16 -0.26 0.00 0.63 0.00 0.00 28.75 30.18 1k1x h GLU 565 CO 0.62 0.84 -0.75 0.15 -0.73 0.00 0.00 179.01 179.14 1k1x s LYS 566 N -5.41 0.46 0.48 1.92 1.02 -1.26 -5.08 119.74 111.87 1k1x s LYS 566 Ca -0.11 -0.41 -0.20 0.00 0.02 0.00 0.00 55.97 55.27 1k1x s LYS 566 Cb 0.16 -0.35 -0.12 0.00 -0.52 0.00 0.00 37.83 37.00 1k1x s LYS 566 CO 0.82 0.08 0.38 -2.30 -0.92 0.00 0.00 175.35 173.41 1k1x n PRO 567 N 2.37 0.40 0.00 -1.68 -0.02 -1.26 -4.89 135.00 129.92 1k1x n PRO 567 Ca -0.17 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 1k1x n PRO 567 Cb 0.57 -1.44 0.00 0.00 -0.02 0.00 0.00 33.50 32.61 1k1x n PRO 567 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 1k1x n TYR 568 N -1.26 0.00 -2.40 6.00 9.36 -0.64 -5.03 117.16 123.18 1k1x n TYR 568 Ca 0.11 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 60.90 1k1x n TYR 568 Cb 0.44 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 39.12 1k1x n TYR 568 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1k1x s LYS 569 N -0.42 3.73 0.14 2.98 -0.14 -1.26 -3.73 119.74 121.04 1k1x s LYS 569 Ca 0.00 1.05 -0.14 0.00 -1.36 0.00 0.00 55.97 55.52 1k1x s LYS 569 Cb 0.00 -3.95 0.02 0.00 -1.68 0.00 0.00 37.83 32.21 1k1x s LYS 569 CO 0.00 -1.36 0.37 0.00 -0.76 0.00 0.00 175.35 173.60 1k1x s ALA 570 N 4.91 -0.63 -0.23 5.17 0.00 -0.47 -4.63 121.76 125.88 1k1x s ALA 570 Ca 0.58 -0.35 -0.01 0.00 0.00 0.00 0.00 51.96 52.18 1k1x s ALA 570 Cb -0.15 0.73 0.02 0.00 0.00 0.00 0.00 23.12 23.73 1k1x s ALA 570 CO 0.28 -0.66 -0.09 -0.51 0.00 0.00 0.00 175.76 174.79 1k1x s LEU 571 N -2.86 2.95 -0.18 0.00 1.43 0.40 0.48 118.68 120.90 1k1x s LEU 571 Ca 0.08 -0.77 -0.24 0.00 -1.03 0.00 0.00 54.13 52.17 1k1x s LEU 571 Cb 0.02 -1.64 -0.02 0.00 0.03 0.00 0.00 46.19 44.58 1k1x s LEU 571 CO -0.07 -0.09 0.78 0.12 0.23 0.00 0.00 176.35 177.32 1k1x s PHE 572 N 1.34 3.41 -0.03 0.29 5.36 0.04 -1.70 117.98 126.68 1k1x s PHE 572 Ca 0.02 1.17 0.07 0.00 -0.96 0.00 0.00 56.93 57.22 1k1x s PHE 572 Cb -0.16 -2.95 -0.02 0.00 -0.34 0.00 0.00 43.02 39.55 1k1x s PHE 572 CO -0.06 -0.22 -0.23 0.20 -1.46 0.00 0.00 175.22 173.45 1k1x s GLY 573 N 1.16 1.34 -0.27 13.12 0.00 -0.83 -0.69 107.32 121.15 1k1x s GLY 573 Ca 0.36 -1.08 -0.01 0.00 0.00 0.00 0.00 44.72 43.99 1k1x s GLY 573 CO 0.12 -0.86 -0.04 0.14 0.00 0.00 0.00 173.10 172.46 1k1x s VAL 574 N -0.59 2.88 0.04 1.40 1.01 -0.65 0.56 120.40 125.05 1k1x s VAL 574 Ca 0.09 -1.21 -0.12 0.00 0.00 0.00 0.00 61.98 60.74 1k1x s VAL 574 Cb -0.11 -2.56 -0.06 0.00 0.00 0.00 0.00 36.38 33.66 1k1x s VAL 574 CO -0.00 0.06 0.40 -0.70 0.00 0.00 0.00 175.10 174.85 1k1x s GLU 575 N 1.28 3.83 -0.12 2.72 2.12 0.00 -1.36 118.70 127.17 1k1x s GLU 575 Ca -0.03 0.29 -0.02 0.00 0.36 0.00 0.00 54.97 55.57 1k1x s GLU 575 Cb -0.18 -3.11 0.04 0.00 0.26 0.00 0.00 34.13 31.14 1k1x s GLU 575 CO -0.03 0.63 0.03 0.42 -0.54 0.00 0.00 175.26 175.77 1k1x s ILE 576 N -1.23 0.29 -0.15 -3.70 1.01 0.65 0.22 121.20 118.28 1k1x s ILE 576 Ca 0.28 -0.09 -0.13 0.00 0.00 0.00 0.00 60.65 60.71 1k1x s ILE 576 Cb -0.15 -0.64 -0.05 0.00 0.01 0.00 0.00 42.46 41.63 1k1x s ILE 576 CO 0.15 0.02 0.28 0.20 0.00 0.00 0.00 174.94 175.60 1k1x s ASN 577 N 1.99 6.45 0.08 3.58 0.01 -0.71 -1.02 114.94 125.32 1k1x s ASN 577 Ca 0.03 0.52 0.09 0.00 -0.71 0.00 0.00 52.86 52.79 1k1x s ASN 577 Cb -0.14 -2.17 -0.03 0.00 0.41 0.00 0.00 41.25 39.31 1k1x s ASN 577 CO -0.06 0.14 -0.23 -0.76 -1.51 0.00 0.00 177.10 174.68 1k1x s LEU 578 N 0.24 2.23 -0.51 0.60 1.43 0.11 -4.55 118.68 118.24 1k1x s LEU 578 Ca 0.16 -0.62 -0.07 0.00 -1.03 0.00 0.00 54.13 52.57 1k1x s LEU 578 Cb -0.13 -1.05 -0.21 0.00 0.03 0.00 0.00 46.19 44.83 1k1x s LEU 578 CO 0.04 0.15 3.34 0.00 0.23 0.00 0.00 176.35 180.11 1k1x n ALA 579 N 1.44 6.60 -2.40 4.21 0.00 -0.35 -0.61 120.51 129.41 1k1x n ALA 579 Ca -0.18 -2.31 -0.43 0.00 0.00 0.00 0.00 53.44 50.53 1k1x n ALA 579 Cb 0.53 -2.65 -0.02 0.00 0.00 0.00 0.00 19.45 17.31 1k1x n ALA 579 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1k1x s VAL 580 N 1.44 3.92 -0.02 0.00 1.01 -1.26 -4.16 120.40 121.33 1k1x s VAL 580 Ca 0.66 0.91 0.03 0.00 0.00 0.00 0.00 61.98 63.57 1k1x s VAL 580 Cb 0.27 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 1k1x s VAL 580 CO -0.02 -0.89 0.03 1.41 0.00 0.00 0.00 175.10 175.63 1k1x n HIS 581 N 8.86 0.00 1.15 5.22 8.25 -1.26 -4.01 115.22 133.43 1k1x n HIS 581 Ca 0.15 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.74 1k1x n HIS 581 Cb 0.48 -0.10 0.34 0.00 1.12 0.00 0.00 29.99 31.84 1k1x n HIS 581 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1k1x n SER 582 N -1.88 0.76 -3.95 0.41 3.41 -1.26 -4.75 113.62 106.37 1k1x n SER 582 Ca -0.03 -0.59 -0.30 0.00 -0.26 0.00 0.00 58.87 57.69 1k1x n SER 582 Cb 0.36 0.16 -0.15 0.00 -0.26 0.00 0.00 64.21 64.32 1k1x n SER 582 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1k1x s VAL 583 N -2.71 1.60 -0.32 -3.33 1.01 -1.26 -4.94 120.40 110.44 1k1x s VAL 583 Ca 0.19 -1.32 -0.28 0.00 0.00 0.00 0.00 61.98 60.57 1k1x s VAL 583 Cb 0.19 -1.88 -0.05 0.00 0.00 0.00 0.00 36.38 34.64 1k1x s VAL 583 CO 0.59 -0.14 2.16 -0.04 0.00 0.00 0.00 175.10 177.67 1k1x s MET 584 N 1.35 2.92 0.66 2.72 1.00 -1.26 -4.94 119.30 121.75 1k1x s MET 584 Ca -0.05 1.69 -0.04 0.00 0.00 0.00 0.00 55.69 57.30 1k1x s MET 584 Cb -0.19 -4.38 0.06 0.00 0.00 0.00 0.00 34.83 30.31 1k1x s MET 584 CO -0.07 -2.35 0.94 -1.21 0.00 0.00 0.00 175.02 172.34 1k1x s GLU 585 N 6.66 2.26 0.09 2.03 0.41 -1.26 -5.12 118.70 123.77 1k1x s GLU 585 Ca 0.94 -0.45 0.02 0.00 -0.41 0.00 0.00 54.97 55.06 1k1x s GLU 585 Cb -0.26 -2.27 -0.04 0.00 -1.78 0.00 0.00 34.13 29.78 1k1x s GLU 585 CO 0.32 -1.10 -0.06 0.21 -0.49 0.00 0.00 175.26 174.14 1k1x s LYS 586 N -5.10 0.80 1.18 1.61 2.47 -1.26 -4.73 119.74 114.70 1k1x s LYS 586 Ca 0.60 -1.29 -0.13 0.00 -1.56 0.00 0.00 55.97 53.59 1k1x s LYS 586 Cb -0.10 -0.18 0.29 0.00 -1.46 0.00 0.00 37.83 36.38 1k1x s LYS 586 CO 0.43 -0.02 1.02 -2.14 0.16 0.00 0.00 175.35 174.80 1k1x s PRO 587 N -3.71 -1.04 0.00 4.03 0.02 -1.26 -4.59 135.00 128.46 1k1x s PRO 587 Ca 0.10 0.88 0.00 0.00 0.02 0.00 0.00 61.00 62.00 1k1x s PRO 587 Cb 0.05 -1.54 0.00 0.00 0.02 0.00 0.00 34.50 33.03 1k1x s PRO 587 CO -0.05 -3.82 0.00 -1.91 -0.33 0.00 0.00 177.00 170.90 1k1x n GLU 588 N -4.99 0.00 -3.75 5.54 2.13 -0.44 -4.95 120.64 114.19 1k1x n GLU 588 Ca 0.03 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.55 1k1x n GLU 588 Cb 0.54 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 32.12 1k1x n GLU 588 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 1k1x s GLU 589 N -1.08 1.41 0.34 5.31 -1.05 -1.26 -1.15 118.70 121.23 1k1x s GLU 589 Ca 0.00 -2.13 0.07 0.00 -0.15 0.00 0.00 54.97 52.76 1k1x s GLU 589 Cb 0.00 -2.50 -0.01 0.00 -0.44 0.00 0.00 34.13 31.18 1k1x s GLU 589 CO 0.00 -1.16 0.43 -0.59 0.95 0.00 0.00 175.26 174.90 1k1x s PHE 590 N 0.22 3.04 -0.07 4.83 -0.71 -1.05 -4.90 117.98 119.34 1k1x s PHE 590 Ca 0.18 -0.25 0.00 0.00 -1.04 0.00 0.00 56.93 55.82 1k1x s PHE 590 Cb -0.24 -1.97 -0.03 0.00 -1.21 0.00 0.00 43.02 39.57 1k1x s PHE 590 CO -0.00 0.01 -0.05 -1.21 -1.34 0.00 0.00 175.22 172.62 1k1x s GLU 591 N -4.14 2.80 0.16 1.99 2.02 -1.26 -1.30 118.70 118.97 1k1x s GLU 591 Ca 0.45 -0.51 -0.24 0.00 0.02 0.00 0.00 54.97 54.68 1k1x s GLU 591 Cb -0.09 -2.64 0.07 0.00 0.10 0.00 0.00 34.13 31.58 1k1x s GLU 591 CO 0.30 0.67 1.01 0.00 0.02 0.00 0.00 175.26 177.26 1k1x s ALA 592 N -0.83 -1.64 0.00 5.21 0.00 -0.76 -4.97 121.76 118.78 1k1x s ALA 592 Ca 0.13 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.02 1k1x s ALA 592 Cb -0.11 0.68 0.00 0.00 0.00 0.00 0.00 23.12 23.68 1k1x s ALA 592 CO 0.02 -1.05 0.00 1.17 0.00 0.00 0.00 175.76 175.89 1k1x n LYS 593 N -0.57 1.84 -3.64 0.00 4.81 -1.26 -0.44 118.16 118.90 1k1x n LYS 593 Ca -0.05 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.24 1k1x n LYS 593 Cb 0.60 -0.96 -0.08 0.00 0.02 0.00 0.00 35.03 34.61 1k1x n LYS 593 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1k1x s GLU 594 N -1.89 0.79 -0.06 1.64 2.02 -1.26 0.23 118.70 120.18 1k1x s GLU 594 Ca 0.00 0.55 -0.30 0.00 0.02 0.00 0.00 54.97 55.24 1k1x s GLU 594 Cb 0.00 0.38 0.07 0.00 0.10 0.00 0.00 34.13 34.67 1k1x s GLU 594 CO 0.00 -0.16 0.66 -0.59 0.02 0.00 0.00 175.26 175.19 1k1x s PHE 595 N -0.29 -0.64 0.04 1.61 -0.12 -1.08 -5.03 117.98 112.47 1k1x s PHE 595 Ca -0.05 1.12 -0.00 0.00 -0.05 0.00 0.00 56.93 57.95 1k1x s PHE 595 Cb -0.03 0.39 -0.04 0.00 -0.63 0.00 0.00 43.02 42.71 1k1x s PHE 595 CO 0.04 -0.59 0.19 -1.21 -0.05 0.00 0.00 175.22 173.60 1k1x s GLU 596 N -1.12 3.39 -0.11 1.99 2.02 -1.26 -2.26 118.70 121.35 1k1x s GLU 596 Ca -0.11 -0.43 0.02 0.00 0.02 0.00 0.00 54.97 54.47 1k1x s GLU 596 Cb -0.01 -3.03 0.02 0.00 0.10 0.00 0.00 34.13 31.21 1k1x s GLU 596 CO 0.09 0.62 -0.15 0.08 0.02 0.00 0.00 175.26 175.92 1k1x s VAL 597 N -1.45 1.53 -0.12 2.63 1.01 0.07 -5.01 120.40 119.07 1k1x s VAL 597 Ca 0.32 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.67 1k1x s VAL 597 Cb -0.13 -1.40 0.01 0.00 0.00 0.00 0.00 36.38 34.86 1k1x s VAL 597 CO 0.25 0.45 -0.19 0.21 0.00 0.00 0.00 175.10 175.81 1k1x s ASN 598 N 1.03 2.79 -0.45 3.32 2.47 -1.26 -0.95 114.94 121.89 1k1x s ASN 598 Ca -0.06 -0.52 0.06 0.00 0.42 0.00 0.00 52.86 52.77 1k1x s ASN 598 Cb -0.15 -1.28 0.21 0.00 -1.45 0.00 0.00 41.25 38.58 1k1x s ASN 598 CO -0.02 0.07 0.46 -0.67 -3.72 0.00 0.00 177.10 173.22 1k1x n ASP 599 N 3.99 0.46 -0.17 -4.21 2.03 0.30 -4.89 116.55 114.06 1k1x n ASP 599 Ca -0.20 -2.67 0.03 0.00 0.52 0.00 0.00 54.79 52.47 1k1x n ASP 599 Cb 0.52 -0.62 0.06 0.00 -0.72 0.00 0.00 41.12 40.36 1k1x n ASP 599 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1k1x n PRO 600 N 2.03 -0.04 -0.24 -0.67 -0.02 -1.26 -0.27 135.00 134.52 1k1x n PRO 600 Ca 0.26 0.72 0.06 0.00 -2.02 0.00 0.00 63.50 62.51 1k1x n PRO 600 Cb 0.48 -1.07 0.17 0.00 -0.02 0.00 0.00 33.50 33.06 1k1x n PRO 600 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1k1x n TYR 601 N -4.75 0.55 0.00 6.00 4.02 -1.26 -4.68 117.16 117.05 1k1x n TYR 601 Ca 0.07 -0.64 0.00 0.00 -0.01 0.00 0.00 57.90 57.33 1k1x n TYR 601 Cb 0.23 -0.12 0.00 0.00 -0.02 0.00 0.00 39.34 39.43 1k1x n TYR 601 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1k1x n GLY 602 N 0.03 1.08 0.20 2.72 0.00 0.63 -4.85 105.19 105.00 1k1x n GLY 602 Ca 0.14 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.26 1k1x n GLY 602 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1k1x n ILE 603 N 0.00 0.07 -4.31 -0.61 -5.35 -1.21 -5.02 119.36 102.93 1k1x n ILE 603 Ca 0.00 -0.12 0.00 0.00 -0.27 0.00 0.00 62.75 62.36 1k1x n ILE 603 Cb 0.00 -0.05 0.00 0.00 -1.74 0.00 0.00 39.64 37.85 1k1x n ILE 603 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1k1x n GLY 604 N 0.93 0.30 3.68 3.28 0.00 -0.41 -4.78 105.19 108.20 1k1x n GLY 604 Ca 0.15 -0.91 -0.35 0.00 0.00 0.00 0.00 46.02 44.91 1k1x n GLY 604 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1k1x s LYS 605 N 0.00 3.31 0.15 1.61 2.20 -1.26 -0.54 119.74 125.20 1k1x s LYS 605 Ca 0.00 -0.37 -0.06 0.00 -0.36 0.00 0.00 55.97 55.18 1k1x s LYS 605 Cb 0.00 -2.94 -0.02 0.00 -1.51 0.00 0.00 37.83 33.36 1k1x s LYS 605 CO 0.00 0.59 0.19 0.14 -0.36 0.00 0.00 175.35 175.90 1k1x s VAL 606 N -0.54 0.08 -0.00 4.02 -7.23 -0.12 -1.21 120.40 115.40 1k1x s VAL 606 Ca 0.10 -1.60 -0.01 0.00 -1.81 0.00 0.00 61.98 58.67 1k1x s VAL 606 Cb -0.12 -1.91 -0.00 0.00 0.56 0.00 0.00 36.38 34.91 1k1x s VAL 606 CO 0.02 -0.38 0.01 -0.60 -0.31 0.00 0.00 175.10 173.84 1k1x s ARG 607 N -4.00 0.10 -0.25 4.82 3.52 -0.39 -0.75 118.95 122.00 1k1x s ARG 607 Ca 0.19 -0.13 -0.04 0.00 -0.13 0.00 0.00 55.73 55.63 1k1x s ARG 607 Cb 0.05 0.04 0.01 0.00 -1.56 0.00 0.00 34.95 33.49 1k1x s ARG 607 CO 0.00 -0.02 -0.02 0.42 -0.81 0.00 0.00 175.30 174.88 1k1x s ILE 608 N -0.35 3.30 -0.17 4.11 1.01 -0.96 -0.85 121.20 127.29 1k1x s ILE 608 Ca -0.04 -0.77 -0.01 0.00 0.00 0.00 0.00 60.65 59.83 1k1x s ILE 608 Cb -0.02 -2.62 -0.00 0.00 0.01 0.00 0.00 42.46 39.82 1k1x s ILE 608 CO -0.00 0.24 -0.13 -1.61 0.00 0.00 0.00 174.94 173.44 1k1x s GLU 609 N 1.42 3.23 0.22 2.79 2.02 -0.17 -2.62 118.70 125.60 1k1x s GLU 609 Ca 0.03 -0.73 0.06 0.00 0.02 0.00 0.00 54.97 54.35 1k1x s GLU 609 Cb -0.16 -2.70 -0.04 0.00 0.10 0.00 0.00 34.13 31.33 1k1x s GLU 609 CO -0.02 -0.05 0.22 -0.51 0.02 0.00 0.00 175.26 174.92 1k1x s LEU 610 N 1.00 3.95 0.00 1.80 1.43 0.14 -0.32 118.68 126.67 1k1x s LEU 610 Ca -0.02 -0.13 0.28 0.00 -1.03 0.00 0.00 54.13 53.23 1k1x s LEU 610 Cb -0.15 -2.50 1.02 0.00 0.03 0.00 0.00 46.19 44.59 1k1x s LEU 610 CO -0.02 -0.02 1.73 -0.90 0.23 0.00 0.00 176.35 177.37 1k1x n ASP 611 N -1.00 1.51 -3.53 2.29 5.75 -0.98 -4.77 116.55 115.81 1k1x n ASP 611 Ca -0.08 -1.48 -0.17 0.00 -0.01 0.00 0.00 54.79 53.05 1k1x n ASP 611 Cb 0.57 0.01 -0.06 0.00 -1.03 0.00 0.00 41.12 40.61 1k1x n ASP 611 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1k1x s LYS 612 N -2.02 1.05 0.45 0.11 2.20 -1.26 -4.99 119.74 115.28 1k1x s LYS 612 Ca 0.37 0.10 -0.22 0.00 -0.36 0.00 0.00 55.97 55.87 1k1x s LYS 612 Cb 0.21 0.49 -0.08 0.00 -1.51 0.00 0.00 37.83 36.94 1k1x s LYS 612 CO 0.34 -0.35 1.06 0.00 -0.36 0.00 0.00 175.35 176.04 1k1x s ALA 613 N -1.60 2.96 0.29 3.13 0.00 -1.26 -4.61 121.76 120.67 1k1x s ALA 613 Ca -0.09 0.69 -0.18 0.00 0.00 0.00 0.00 51.96 52.38 1k1x s ALA 613 Cb -0.01 -3.28 0.02 0.00 0.00 0.00 0.00 23.12 19.86 1k1x s ALA 613 CO 0.06 -0.32 0.66 0.00 0.00 0.00 0.00 175.76 176.16 1k1x s ALA 614 N -1.80 -0.84 -0.19 0.00 0.00 0.42 -4.95 121.76 114.40 1k1x s ALA 614 Ca 0.63 -0.56 -0.26 0.00 0.00 0.00 0.00 51.96 51.78 1k1x s ALA 614 Cb -0.20 0.89 -0.01 0.00 0.00 0.00 0.00 23.12 23.80 1k1x s ALA 614 CO 0.25 -0.98 0.88 0.21 0.00 0.00 0.00 175.76 176.11 1k1x s LYS 615 N -3.67 4.27 -0.22 0.00 2.20 -0.64 -1.82 119.74 119.86 1k1x s LYS 615 Ca 0.15 1.08 -0.05 0.00 -0.36 0.00 0.00 55.97 56.79 1k1x s LYS 615 Cb -0.04 -3.60 -0.02 0.00 -1.51 0.00 0.00 37.83 32.65 1k1x s LYS 615 CO 0.09 -0.43 0.00 0.08 -0.36 0.00 0.00 175.35 174.73 1k1x s VAL 616 N 2.50 3.85 -0.17 4.02 1.01 -0.42 0.82 120.40 132.00 1k1x s VAL 616 Ca 0.39 -0.34 -0.08 0.00 0.00 0.00 0.00 61.98 61.95 1k1x s VAL 616 Cb -0.16 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 1k1x s VAL 616 CO 0.10 0.40 0.10 0.26 0.00 0.00 0.00 175.10 175.96 1k1x s TRP 617 N 1.34 3.38 -0.03 5.22 0.51 -0.19 -2.52 118.94 126.65 1k1x s TRP 617 Ca 0.04 0.27 0.02 0.00 -2.12 0.00 0.00 56.10 54.32 1k1x s TRP 617 Cb -0.15 -2.06 0.01 0.00 -0.81 0.00 0.00 33.47 30.46 1k1x s TRP 617 CO 0.01 0.35 -0.09 0.21 -0.51 0.00 0.00 176.95 176.92 1k1x s LYS 618 N -0.01 1.03 -0.20 4.98 2.20 -0.30 -0.84 119.74 126.60 1k1x s LYS 618 Ca 0.08 -0.30 -0.23 0.00 -0.36 0.00 0.00 55.97 55.17 1k1x s LYS 618 Cb -0.12 -0.95 0.06 0.00 -1.51 0.00 0.00 37.83 35.31 1k1x s LYS 618 CO 0.00 0.08 0.62 -0.59 -0.36 0.00 0.00 175.35 175.10 1k1x s PHE 619 N 0.33 -0.66 0.04 4.03 -0.12 -0.91 -1.32 117.98 119.37 1k1x s PHE 619 Ca -0.05 1.54 -0.30 0.00 -0.05 0.00 0.00 56.93 58.07 1k1x s PHE 619 Cb -0.10 0.25 -0.04 0.00 -0.63 0.00 0.00 43.02 42.50 1k1x s PHE 619 CO 0.01 -0.37 1.00 -1.25 -0.05 0.00 0.00 175.22 174.56 1k1x s PRO 620 N 0.06 4.58 -0.54 1.99 0.04 -1.26 -1.17 135.00 138.70 1k1x s PRO 620 Ca -0.02 1.48 -0.28 0.00 0.04 0.00 0.00 61.00 62.22 1k1x s PRO 620 Cb -0.04 -3.42 0.00 0.00 0.04 0.00 0.00 34.50 31.09 1k1x s PRO 620 CO 0.02 0.00 1.52 0.42 0.04 0.00 0.00 177.00 179.00 1k1x s ILE 621 N 0.70 3.69 -0.12 0.56 1.01 0.41 -4.95 121.20 122.50 1k1x s ILE 621 Ca 0.51 0.59 -0.14 0.00 0.00 0.00 0.00 60.65 61.61 1k1x s ILE 621 Cb -0.23 -4.27 -0.05 0.00 0.01 0.00 0.00 42.46 37.92 1k1x s ILE 621 CO 0.29 -1.04 0.32 -0.54 0.00 0.00 0.00 174.94 173.97 1k1x s LYS 622 N 5.73 4.10 -0.06 2.79 -0.14 -1.26 -0.78 119.74 130.12 1k1x s LYS 622 Ca 0.58 0.17 0.03 0.00 -1.36 0.00 0.00 55.97 55.39 1k1x s LYS 622 Cb -0.12 -3.36 0.00 0.00 -1.68 0.00 0.00 37.83 32.67 1k1x s LYS 622 CO 0.25 0.39 -0.16 0.99 -0.76 0.00 0.00 175.35 176.06 1k1x s THR 623 N -0.02 1.42 0.49 2.17 2.01 -1.00 -4.84 115.64 115.88 1k1x s THR 623 Ca 0.19 -0.67 -0.23 0.00 0.31 0.00 0.00 61.69 61.29 1k1x s THR 623 Cb -0.14 -1.25 -0.07 0.00 0.01 0.00 0.00 72.50 71.06 1k1x s THR 623 CO 0.06 0.42 1.31 -0.76 -0.69 0.00 0.00 174.62 174.96 1k1x s LEU 624 N 0.37 3.99 -0.11 4.42 1.43 -1.26 -1.25 118.68 126.27 1k1x s LEU 624 Ca -0.12 2.66 -0.04 0.00 -1.03 0.00 0.00 54.13 55.61 1k1x s LEU 624 Cb -0.15 -4.15 0.05 0.00 0.03 0.00 0.00 46.19 41.98 1k1x s LEU 624 CO 0.04 -1.24 0.22 -0.55 0.23 0.00 0.00 176.35 175.05 1k1x s SER 625 N -0.94 0.34 -0.41 2.29 0.15 -0.96 -4.86 113.70 109.31 1k1x s SER 625 Ca 0.66 0.48 -0.20 0.00 0.70 0.00 0.00 55.95 57.59 1k1x s SER 625 Cb -0.38 0.49 0.02 0.00 -1.71 0.00 0.00 66.02 64.43 1k1x s SER 625 CO 0.46 -0.22 0.62 -1.10 1.20 0.00 0.00 173.24 174.20 1k1x s GLN 626 N 2.11 3.40 0.20 5.44 -1.52 -1.26 -1.76 119.66 126.26 1k1x s GLN 626 Ca -0.01 -0.27 0.01 0.00 -1.95 0.00 0.00 55.36 53.14 1k1x s GLN 626 Cb -0.12 -3.90 -0.00 0.00 -0.22 0.00 0.00 33.01 28.77 1k1x s GLN 626 CO -0.07 -0.90 0.02 -1.13 -0.25 0.00 0.00 175.29 172.95 1k1x n SER 627 N 6.13 2.08 -0.07 5.90 3.41 -0.61 -4.63 113.62 125.84 1k1x n SER 627 Ca -0.02 -1.93 -0.05 0.00 -0.26 0.00 0.00 58.87 56.61 1k1x n SER 627 Cb 0.48 0.25 0.15 0.00 -0.26 0.00 0.00 64.21 64.83 1k1x n SER 627 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1k1x h GLU 628 N 0.00 0.70 0.00 4.33 5.08 -2.03 -2.14 114.58 120.52 1k1x h GLU 628 Ca -0.16 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1k1x h GLU 628 Cb 0.53 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1k1x h GLU 628 CO 0.27 0.80 0.00 0.00 -1.00 0.00 0.00 179.01 179.08 1k1x h ALA 629 N 1.22 1.00 0.00 3.43 0.00 -1.99 -3.49 119.26 119.44 1k1x h ALA 629 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1k1x h ALA 629 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1k1x h ALA 629 CO 0.04 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.70 1k1x n GLY 630 N 0.38 0.28 3.71 0.00 0.00 -0.81 -5.02 105.19 103.72 1k1x n GLY 630 Ca 0.02 -2.11 -0.42 0.00 0.00 0.00 0.00 46.02 43.52 1k1x n GLY 630 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1k1x s TRP 631 N 0.00 3.61 0.00 1.61 0.52 -1.26 -1.57 118.94 121.86 1k1x s TRP 631 Ca 0.00 1.64 0.00 0.00 0.02 0.00 0.00 56.10 57.76 1k1x s TRP 631 Cb 0.00 -3.16 0.00 0.00 -1.15 0.00 0.00 33.47 29.16 1k1x s TRP 631 CO 0.00 -0.19 0.00 -0.25 0.02 0.00 0.00 176.95 176.53 1k1x n ASP 632 N 4.03 0.20 -4.15 2.95 9.92 -0.73 -5.00 116.55 123.78 1k1x n ASP 632 Ca 0.07 -0.94 -0.14 0.00 -0.53 0.00 0.00 54.79 53.25 1k1x n ASP 632 Cb 0.50 0.00 -0.11 0.00 -0.64 0.00 0.00 41.12 40.87 1k1x n ASP 632 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1k1x s PHE 633 N -1.83 0.98 -0.14 1.24 0.08 -1.26 -2.26 117.98 114.78 1k1x s PHE 633 Ca 0.00 -0.64 -0.01 0.00 0.12 0.00 0.00 56.93 56.40 1k1x s PHE 633 Cb 0.00 -0.55 0.04 0.00 -0.57 0.00 0.00 43.02 41.94 1k1x s PHE 633 CO 0.00 -0.03 -0.03 0.42 -0.10 0.00 0.00 175.22 175.48 1k1x s ILE 634 N -2.29 0.86 -0.41 0.64 1.01 -0.38 -4.93 121.20 115.71 1k1x s ILE 634 Ca 0.03 -0.41 -0.28 0.00 0.00 0.00 0.00 60.65 59.98 1k1x s ILE 634 Cb -0.04 -1.06 -0.01 0.00 0.01 0.00 0.00 42.46 41.36 1k1x s ILE 634 CO -0.00 0.14 1.71 -1.58 0.00 0.00 0.00 174.94 175.21 1k1x s GLN 635 N 1.75 3.26 0.37 2.79 0.74 -1.26 -2.37 119.66 124.93 1k1x s GLN 635 Ca 0.02 1.14 0.20 0.00 0.05 0.00 0.00 55.36 56.77 1k1x s GLN 635 Cb -0.14 -4.19 0.29 0.00 1.10 0.00 0.00 33.01 30.07 1k1x s GLN 635 CO -0.07 -1.95 1.56 1.96 -0.55 0.00 0.00 175.29 176.24 1k1x h GLN 636 N 12.71 0.00 0.00 1.67 1.08 -1.26 -3.45 115.11 125.86 1k1x h GLN 636 Ca -0.31 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.89 1k1x h GLN 636 Cb 1.15 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.58 1k1x h GLN 636 CO 1.08 0.27 0.00 0.41 -0.95 0.00 0.00 178.83 179.64 1k1x n GLY 637 N 1.04 -1.36 3.07 3.46 0.00 -1.25 -4.46 105.19 105.67 1k1x n GLY 637 Ca 0.03 -1.12 -0.21 0.00 0.00 0.00 0.00 46.02 44.72 1k1x n GLY 637 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k1x s VAL 638 N -2.99 0.93 -0.21 1.61 1.01 0.22 -0.45 120.40 120.52 1k1x s VAL 638 Ca 0.00 -0.50 -0.08 0.00 0.00 0.00 0.00 61.98 61.40 1k1x s VAL 638 Cb 0.00 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.55 1k1x s VAL 638 CO 0.00 0.27 0.09 -0.55 0.00 0.00 0.00 175.10 174.91 1k1x s SER 639 N -0.23 5.65 -0.19 3.32 0.15 -0.32 -0.71 113.70 121.37 1k1x s SER 639 Ca 0.04 0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.71 1k1x s SER 639 Cb -0.05 -1.99 0.02 0.00 -1.71 0.00 0.00 66.02 62.28 1k1x s SER 639 CO -0.00 0.09 -0.18 -0.31 1.20 0.00 0.00 173.24 174.04 1k1x s TYR 640 N 0.86 2.81 -0.16 3.44 1.51 -0.19 -2.14 117.35 123.48 1k1x s TYR 640 Ca 0.05 -1.58 0.01 0.00 -1.01 0.00 0.00 57.07 54.54 1k1x s TYR 640 Cb -0.13 -1.94 0.02 0.00 -0.11 0.00 0.00 41.96 39.79 1k1x s TYR 640 CO 0.03 -0.78 -0.19 -0.08 -1.11 0.00 0.00 175.55 173.41 1k1x s THR 641 N 1.31 1.94 -0.36 -0.71 -1.32 -0.02 -0.26 115.64 116.22 1k1x s THR 641 Ca 0.05 -0.88 -0.20 0.00 -1.21 0.00 0.00 61.69 59.45 1k1x s THR 641 Cb -0.13 -1.75 0.00 0.00 -1.51 0.00 0.00 72.50 69.11 1k1x s THR 641 CO -0.12 0.52 0.62 -0.04 -2.21 0.00 0.00 174.62 173.40 1k1x s MET 642 N 1.20 3.65 -0.18 7.08 -1.94 -0.47 -1.02 119.30 127.63 1k1x s MET 642 Ca 0.02 0.01 -0.13 0.00 -1.71 0.00 0.00 55.69 53.88 1k1x s MET 642 Cb -0.14 -3.82 -0.05 0.00 2.01 0.00 0.00 34.83 32.84 1k1x s MET 642 CO -0.09 -0.74 0.24 -0.51 -0.01 0.00 0.00 175.02 173.91 1k1x s LEU 643 N 2.68 4.22 -0.08 -0.03 2.01 0.24 -1.63 118.68 126.09 1k1x s LEU 643 Ca 0.24 0.41 0.04 0.00 0.01 0.00 0.00 54.13 54.82 1k1x s LEU 643 Cb -0.15 -2.28 0.00 0.00 0.01 0.00 0.00 46.19 43.78 1k1x s LEU 643 CO 0.15 0.12 -0.19 -0.36 1.01 0.00 0.00 176.35 177.07 1k1x s PHE 644 N 0.49 2.10 0.26 0.29 0.40 0.13 -1.62 117.98 120.03 1k1x s PHE 644 Ca 0.14 -0.81 -0.30 0.00 -0.60 0.00 0.00 56.93 55.36 1k1x s PHE 644 Cb -0.12 -1.43 -0.10 0.00 0.51 0.00 0.00 43.02 41.87 1k1x s PHE 644 CO 0.02 -0.34 1.40 -1.25 0.70 0.00 0.00 175.22 175.75 1k1x s PRO 645 N 0.41 4.30 0.06 0.24 0.04 -1.26 -0.78 135.00 138.00 1k1x s PRO 645 Ca -0.16 2.26 -0.01 0.00 0.04 0.00 0.00 61.00 63.13 1k1x s PRO 645 Cb -0.17 -3.11 -0.04 0.00 0.04 0.00 0.00 34.50 31.23 1k1x s PRO 645 CO 0.06 -0.36 -0.02 -1.50 0.04 0.00 0.00 177.00 175.23 1k1x s ILE 646 N -0.24 0.21 0.00 0.56 2.07 0.18 -4.86 121.20 119.12 1k1x s ILE 646 Ca 0.57 -1.79 0.00 0.00 -1.41 0.00 0.00 60.65 58.02 1k1x s ILE 646 Cb -0.41 -1.54 0.00 0.00 0.13 0.00 0.00 42.46 40.64 1k1x s ILE 646 CO 0.45 -0.96 0.00 1.21 -1.91 0.00 0.00 174.94 173.73 1k1x n GLU 647 N 0.09 0.10 0.00 3.50 2.13 -1.24 -1.36 120.64 123.86 1k1x n GLU 647 Ca -0.14 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.68 1k1x n GLU 647 Cb 0.61 -0.13 0.00 0.00 0.27 0.00 0.00 31.44 32.19 1k1x n GLU 647 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1k1x n LYS 648 N -0.47 0.00 -4.31 5.31 3.00 -1.26 -1.63 118.16 118.80 1k1x n LYS 648 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 58.31 58.08 1k1x n LYS 648 Cb 0.00 -0.02 -0.13 0.00 0.00 0.00 0.00 35.03 34.88 1k1x n LYS 648 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1k1x s GLU 649 N -1.63 1.08 -0.29 1.64 2.56 -1.26 -2.73 118.70 118.06 1k1x s GLU 649 Ca 0.00 -1.07 -0.16 0.00 0.00 0.00 0.00 54.97 53.74 1k1x s GLU 649 Cb 0.00 -1.27 0.15 0.00 2.00 0.00 0.00 34.13 35.01 1k1x s GLU 649 CO 0.00 0.30 0.98 -1.17 -0.56 0.00 0.00 175.26 174.81 1k1x s LEU 650 N -1.74 -0.52 -0.06 2.70 2.96 -1.14 -4.88 118.68 116.00 1k1x s LEU 650 Ca 0.05 0.79 -0.03 0.00 -0.22 0.00 0.00 54.13 54.72 1k1x s LEU 650 Cb -0.10 1.71 0.04 0.00 0.50 0.00 0.00 46.19 48.34 1k1x s LEU 650 CO 0.03 -0.12 0.13 -1.61 -1.32 0.00 0.00 176.35 173.47 1k1x s GLU 651 N 1.64 0.07 0.29 1.98 2.02 -1.26 -1.83 118.70 121.61 1k1x s GLU 651 Ca -0.07 0.37 -0.10 0.00 0.02 0.00 0.00 54.97 55.18 1k1x s GLU 651 Cb -0.04 -0.20 0.01 0.00 0.10 0.00 0.00 34.13 33.99 1k1x s GLU 651 CO -0.15 -0.18 0.52 -0.59 0.02 0.00 0.00 175.26 174.88 1k1x s PHE 652 N 1.27 0.51 -0.04 1.61 -0.12 -1.20 -5.01 117.98 114.99 1k1x s PHE 652 Ca -0.08 -0.88 0.00 0.00 -0.05 0.00 0.00 56.93 55.92 1k1x s PHE 652 Cb -0.12 0.21 0.03 0.00 -0.63 0.00 0.00 43.02 42.51 1k1x s PHE 652 CO -0.06 -1.11 -0.01 0.99 -0.05 0.00 0.00 175.22 174.98 1k1x s THR 653 N -3.52 0.31 -0.11 -4.49 2.01 -1.26 -0.83 115.64 107.75 1k1x s THR 653 Ca 0.24 0.04 -0.00 0.00 0.31 0.00 0.00 61.69 62.27 1k1x s THR 653 Cb -0.01 -0.40 -0.03 0.00 0.01 0.00 0.00 72.50 72.07 1k1x s THR 653 CO 0.12 0.19 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.47 1k1x s VAL 654 N 1.18 3.56 0.01 3.82 1.01 -0.31 -2.32 120.40 127.35 1k1x s VAL 654 Ca -0.07 -0.50 0.06 0.00 0.00 0.00 0.00 61.98 61.47 1k1x s VAL 654 Cb -0.14 -2.49 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 1k1x s VAL 654 CO -0.02 0.55 -0.20 -0.60 0.00 0.00 0.00 175.10 174.84 1k1x s ARG 655 N -0.21 1.45 -0.24 2.72 3.52 0.56 -0.38 118.95 126.37 1k1x s ARG 655 Ca 0.02 -0.81 0.01 0.00 -0.13 0.00 0.00 55.73 54.83 1k1x s ARG 655 Cb -0.13 -1.48 0.04 0.00 -1.56 0.00 0.00 34.95 31.82 1k1x s ARG 655 CO 0.03 0.39 -0.11 0.12 -0.81 0.00 0.00 175.30 174.92 1k1x s PHE 656 N -0.63 3.10 -0.11 5.12 5.36 -0.39 -1.00 117.98 129.44 1k1x s PHE 656 Ca 0.07 -1.95 -0.02 0.00 -0.96 0.00 0.00 56.93 54.08 1k1x s PHE 656 Cb -0.08 -1.97 -0.03 0.00 -0.34 0.00 0.00 43.02 40.60 1k1x s PHE 656 CO 0.01 -0.82 -0.03 1.03 -1.46 0.00 0.00 175.22 173.94 1k1x s ARG 657 N 1.21 3.22 0.09 10.12 0.52 -0.03 -2.42 118.95 131.65 1k1x s ARG 657 Ca -0.03 -0.48 -0.13 0.00 -0.52 0.00 0.00 55.73 54.56 1k1x s ARG 657 Cb -0.18 -2.80 -0.06 0.00 0.52 0.00 0.00 34.95 32.43 1k1x s ARG 657 CO -0.06 0.51 0.47 -2.00 0.02 0.00 0.00 175.30 174.23 1k1x s GLU 658 N -0.36 3.91 0.00 3.54 2.12 0.55 -1.26 118.70 127.20 1k1x s GLU 658 Ca 0.06 0.39 0.00 0.00 0.36 0.00 0.00 54.97 55.78 1k1x s GLU 658 Cb -0.12 -3.04 0.00 0.00 0.26 0.00 0.00 34.13 31.22 1k1x s GLU 658 CO 0.02 0.57 0.30 1.28 -0.54 0.00 0.00 175.26 176.89