#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xkr s MET 1 N 0.00 4.24 -0.41 -1.40 1.00 -1.26 -5.04 119.30 116.43 1xkr s MET 1 Ca 0.00 0.80 -0.01 0.00 0.00 0.00 0.00 55.69 56.49 1xkr s MET 1 Cb 0.00 -3.06 0.11 0.00 0.00 0.00 0.00 34.83 31.88 1xkr s MET 1 CO 0.00 0.51 0.17 0.21 0.00 0.00 0.00 175.02 175.92 1xkr s LYS 2 N -1.58 1.88 -0.23 2.03 2.36 -1.26 -5.08 119.74 117.86 1xkr s LYS 2 Ca 0.37 -1.91 -0.05 0.00 -2.55 0.00 0.00 55.97 51.82 1xkr s LYS 2 Cb -0.18 -3.47 -0.02 0.00 -1.05 0.00 0.00 37.83 33.11 1xkr s LYS 2 CO 0.21 -1.04 0.01 0.42 1.55 0.00 0.00 175.35 176.50 1xkr s ILE 3 N 0.95 3.80 0.59 5.43 1.01 -1.26 -5.10 121.20 126.61 1xkr s ILE 3 Ca 0.10 -0.35 -0.09 0.00 0.00 0.00 0.00 60.65 60.31 1xkr s ILE 3 Cb -0.22 -2.75 -0.03 0.00 0.01 0.00 0.00 42.46 39.47 1xkr s ILE 3 CO -0.05 0.38 0.96 -0.94 0.00 0.00 0.00 174.94 175.30 1xkr s SER 4 N 1.54 6.14 0.41 3.58 1.04 -1.26 -4.96 113.70 120.19 1xkr s SER 4 Ca 0.06 1.23 0.16 0.00 0.48 0.00 0.00 55.95 57.87 1xkr s SER 4 Cb -0.15 -2.33 0.88 0.00 0.10 0.00 0.00 66.02 64.52 1xkr s SER 4 CO -0.00 -0.84 1.89 -0.33 0.98 0.00 0.00 173.24 174.94 1xkr h GLU 5 N -0.19 0.00 -0.44 4.02 4.39 -1.99 -2.21 114.58 118.16 1xkr h GLU 5 Ca -0.45 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.21 1xkr h GLU 5 Cb 1.20 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.83 1xkr h GLU 5 CO 0.62 0.30 0.13 -0.09 -1.16 0.00 0.00 179.01 178.81 1xkr h ARG 6 N 0.00 0.68 -0.61 2.33 2.43 -1.99 -0.65 114.38 116.57 1xkr h ARG 6 Ca -0.00 -0.15 -0.07 0.00 -0.81 0.00 0.00 59.98 58.94 1xkr h ARG 6 Cb 0.56 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.99 1xkr h ARG 6 CO 0.04 0.67 0.09 1.96 -1.51 0.00 0.00 179.97 181.22 1xkr h GLN 7 N 0.57 1.01 -0.50 0.20 4.20 -1.82 -1.39 115.11 117.38 1xkr h GLN 7 Ca 0.14 -0.26 -0.12 0.00 0.06 0.00 0.00 58.65 58.47 1xkr h GLN 7 Cb 0.28 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 1xkr h GLN 7 CO -0.00 0.93 -0.15 0.87 -0.67 0.00 0.00 178.83 179.81 1xkr h LYS 8 N 0.94 0.97 -0.54 1.46 1.57 -1.16 -2.17 116.57 117.64 1xkr h LYS 8 Ca 0.19 -0.38 -0.06 0.00 -1.87 0.00 0.00 60.65 58.54 1xkr h LYS 8 Cb 0.42 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 1xkr h LYS 8 CO 0.01 1.05 0.11 -0.44 -0.57 0.00 0.00 179.45 179.61 1xkr h ASP 9 N 0.85 0.79 -0.26 0.86 3.32 -0.86 -0.95 116.42 120.17 1xkr h ASP 9 Ca 0.13 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1xkr h ASP 9 Cb 0.71 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 1xkr h ASP 9 CO 0.05 0.79 0.17 0.25 -1.72 0.00 0.00 179.24 178.78 1xkr h LEU 10 N 0.81 0.31 -0.89 1.55 7.12 -0.96 0.23 115.31 123.47 1xkr h LEU 10 Ca 0.17 -0.02 -0.01 0.00 0.13 0.00 0.00 57.88 58.15 1xkr h LEU 10 Cb 0.33 -0.08 -0.04 0.00 -0.53 0.00 0.00 40.66 40.34 1xkr h LEU 10 CO 0.00 0.24 0.51 -0.07 -0.13 0.00 0.00 178.44 178.99 1xkr h LEU 11 N 0.34 1.09 -0.48 2.25 3.38 -0.97 -1.46 115.31 119.47 1xkr h LEU 11 Ca 0.09 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1xkr h LEU 11 Cb -0.02 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 1xkr h LEU 11 CO -0.02 0.86 0.06 0.50 0.09 0.00 0.00 178.44 179.94 1xkr h LYS 12 N 1.24 0.81 -0.66 1.13 3.64 -0.74 -0.33 116.57 121.65 1xkr h LYS 12 Ca 0.32 -0.22 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1xkr h LYS 12 Cb -0.01 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 1xkr h LYS 12 CO -0.05 0.82 0.38 0.93 -2.27 0.00 0.00 179.45 179.25 1xkr h GLU 13 N 0.67 0.91 -0.54 1.90 5.08 -0.62 -0.36 114.58 121.63 1xkr h GLU 13 Ca 0.14 -0.10 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 1xkr h GLU 13 Cb 0.41 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1xkr h GLU 13 CO 0.01 0.68 0.13 0.82 -1.00 0.00 0.00 179.01 179.64 1xkr h ILE 14 N 0.90 1.25 -0.83 3.13 2.04 -1.08 -2.10 117.51 120.82 1xkr h ILE 14 Ca 0.23 -0.88 -0.03 0.00 1.00 0.00 0.00 64.86 65.18 1xkr h ILE 14 Cb 0.02 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 36.84 1xkr h ILE 14 CO -0.04 0.32 0.40 1.23 0.00 0.00 0.00 178.15 180.06 1xkr h GLY 15 N 0.76 1.28 1.55 5.37 0.00 -0.59 -1.78 103.07 109.67 1xkr h GLY 15 Ca 0.17 -0.64 -0.11 0.00 0.00 0.00 0.00 47.33 46.75 1xkr h GLY 15 CO 0.00 0.61 -0.29 3.43 0.00 0.00 0.00 176.54 180.29 1xkr h ASN 16 N 1.18 0.52 -0.03 0.19 2.35 -0.83 -0.16 115.58 118.80 1xkr h ASN 16 Ca 0.28 -0.19 -0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1xkr h ASN 16 Cb 0.12 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.35 1xkr h ASN 16 CO -0.04 0.79 0.01 0.40 -1.65 0.00 0.00 177.43 176.95 1xkr h ILE 17 N 0.45 1.19 -0.53 2.81 1.08 -1.01 -1.25 117.51 120.24 1xkr h ILE 17 Ca 0.06 -0.56 -0.04 0.00 -0.39 0.00 0.00 64.86 63.93 1xkr h ILE 17 Cb 0.73 1.50 -0.03 0.00 -3.07 0.00 0.00 36.82 35.95 1xkr h ILE 17 CO 0.06 0.15 0.17 1.23 -0.69 0.00 0.00 178.15 179.07 1xkr h GLY 18 N -0.17 0.85 1.53 5.37 0.00 -1.19 -2.52 103.07 106.95 1xkr h GLY 18 Ca 0.01 -0.46 -0.09 0.00 0.00 0.00 0.00 47.33 46.79 1xkr h GLY 18 CO 0.00 0.43 -0.21 0.00 0.00 0.00 0.00 176.54 176.76 1xkr h ALA 19 N 1.41 1.09 -0.67 3.60 0.00 -0.83 -1.53 119.26 122.34 1xkr h ALA 19 Ca 0.18 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1xkr h ALA 19 Cb 0.22 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1xkr h ALA 19 CO -0.01 0.56 0.12 0.78 0.00 0.00 0.00 179.25 180.70 1xkr h GLY 20 N 0.99 1.18 1.41 0.00 0.00 -0.81 0.89 103.07 106.73 1xkr h GLY 20 Ca 0.08 -0.77 -0.11 0.00 0.00 0.00 0.00 47.33 46.52 1xkr h GLY 20 CO 0.04 0.72 -0.26 3.43 0.00 0.00 0.00 176.54 180.47 1xkr h ASN 21 N 1.03 0.69 -0.37 0.19 -0.26 -1.19 -2.52 115.58 113.14 1xkr h ASN 21 Ca 0.21 -0.25 -0.12 0.00 -0.56 0.00 0.00 56.30 55.57 1xkr h ASN 21 Cb 0.42 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.48 1xkr h ASN 21 CO 0.01 0.92 -0.22 0.00 -1.06 0.00 0.00 177.43 177.08 1xkr h ALA 22 N 1.13 0.80 -0.67 -0.83 0.00 -0.89 -2.86 119.26 115.94 1xkr h ALA 22 Ca 0.08 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.62 1xkr h ALA 22 Cb 0.75 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1xkr h ALA 22 CO 0.06 0.65 0.44 0.00 0.00 0.00 0.00 179.25 180.40 1xkr h ALA 23 N 0.99 0.86 -0.32 0.00 0.00 -0.58 -0.23 119.26 119.98 1xkr h ALA 23 Ca 0.10 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1xkr h ALA 23 Cb 0.76 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1xkr h ALA 23 CO 0.06 0.25 0.17 1.15 0.00 0.00 0.00 179.25 180.88 1xkr h THR 24 N 0.88 1.14 -0.57 0.00 2.02 -1.34 -0.21 112.91 114.83 1xkr h THR 24 Ca 0.25 -0.37 -0.04 0.00 0.77 0.00 0.00 66.41 67.03 1xkr h THR 24 Cb -0.06 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 1xkr h THR 24 CO -0.07 0.14 0.21 0.00 0.37 0.00 0.00 175.52 176.17 1xkr h ALA 25 N 1.04 0.74 -0.09 6.16 0.00 -1.24 -2.63 119.26 123.23 1xkr h ALA 25 Ca 0.11 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 1xkr h ALA 25 Cb 0.07 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1xkr h ALA 25 CO -0.02 0.37 -0.47 0.82 0.00 0.00 0.00 179.25 179.95 1xkr h ILE 26 N 0.78 1.33 -0.52 0.00 2.04 -0.90 -2.24 117.51 118.01 1xkr h ILE 26 Ca 0.19 -1.66 0.02 0.00 1.00 0.00 0.00 64.86 64.41 1xkr h ILE 26 Cb 0.23 1.78 -0.03 0.00 -0.74 0.00 0.00 36.82 38.05 1xkr h ILE 26 CO -0.01 0.49 0.32 0.28 0.00 0.00 0.00 178.15 179.22 1xkr h SER 27 N 0.19 0.52 -0.04 1.72 0.02 -0.73 -0.70 113.55 114.53 1xkr h SER 27 Ca 0.01 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1xkr h SER 27 Cb 0.90 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 63.33 1xkr h SER 27 CO 0.07 0.37 0.02 1.88 -1.14 0.00 0.00 176.83 178.03 1xkr h TYR 28 N 0.63 0.05 -0.47 3.45 0.05 -1.30 -1.17 116.97 118.22 1xkr h TYR 28 Ca 0.20 -0.00 0.04 0.00 0.05 0.00 0.00 58.73 59.02 1xkr h TYR 28 Cb 0.00 -0.02 -0.04 0.00 1.01 0.00 0.00 36.73 37.69 1xkr h TYR 28 CO -0.06 0.12 0.24 1.98 -1.05 0.00 0.00 178.16 179.39 1xkr h MET 29 N -0.03 0.46 -0.26 4.88 4.05 -0.86 -3.16 114.93 120.02 1xkr h MET 29 Ca 0.01 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 1xkr h MET 29 Cb 0.08 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 30.78 1xkr h MET 29 CO -0.00 0.30 0.00 0.44 0.23 0.00 0.00 176.91 177.88 1xkr n ILE 30 N -4.89 0.33 -3.51 1.77 -5.35 -0.32 -4.99 119.36 102.40 1xkr n ILE 30 Ca 0.03 -0.67 -0.19 0.00 -0.27 0.00 0.00 62.75 61.66 1xkr n ILE 30 Cb 0.12 1.16 0.07 0.00 -1.74 0.00 0.00 39.64 39.24 1xkr n ILE 30 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1xkr n ASN 31 N 1.42 -2.32 -3.64 7.28 3.02 -0.48 -4.84 115.26 115.70 1xkr n ASN 31 Ca 0.17 -0.71 -0.12 0.00 -0.03 0.00 0.00 54.58 53.89 1xkr n ASN 31 Cb 0.60 -4.71 -0.05 0.00 -0.61 0.00 0.00 39.78 35.00 1xkr n ASN 31 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1xkr s LYS 32 N -5.49 0.99 -0.51 3.52 1.02 -0.97 -5.07 119.74 113.23 1xkr s LYS 32 Ca 0.06 -0.50 -0.27 0.00 0.02 0.00 0.00 55.97 55.28 1xkr s LYS 32 Cb -0.01 0.44 0.03 0.00 -0.52 0.00 0.00 37.83 37.77 1xkr s LYS 32 CO 0.76 -0.36 1.07 0.21 -0.92 0.00 0.00 175.35 176.11 1xkr s LYS 33 N -3.03 3.56 -0.03 1.68 2.20 -1.26 -4.34 119.74 118.52 1xkr s LYS 33 Ca -0.02 0.26 0.07 0.00 -0.36 0.00 0.00 55.97 55.92 1xkr s LYS 33 Cb 0.00 -3.96 -0.02 0.00 -1.51 0.00 0.00 37.83 32.34 1xkr s LYS 33 CO -0.06 -1.44 -0.25 0.54 -0.36 0.00 0.00 175.35 173.78 1xkr s VAL 34 N 4.35 2.13 -0.05 4.02 0.11 -1.26 -2.34 120.40 127.36 1xkr s VAL 34 Ca 0.41 -1.07 0.04 0.00 -2.93 0.00 0.00 61.98 58.44 1xkr s VAL 34 Cb -0.09 -1.75 -0.00 0.00 -1.53 0.00 0.00 36.38 33.01 1xkr s VAL 34 CO 0.27 0.58 -0.19 -1.61 -3.33 0.00 0.00 175.10 170.82 1xkr s GLU 35 N -0.48 2.00 -0.10 1.54 2.02 -0.51 -4.60 118.70 118.58 1xkr s GLU 35 Ca 0.06 -0.67 0.02 0.00 0.02 0.00 0.00 54.97 54.40 1xkr s GLU 35 Cb -0.11 -1.70 0.01 0.00 0.10 0.00 0.00 34.13 32.43 1xkr s GLU 35 CO 0.01 0.25 -0.16 0.42 0.02 0.00 0.00 175.26 175.80 1xkr s ILE 36 N 0.07 1.49 0.16 -1.63 1.01 -1.26 -0.00 121.20 121.03 1xkr s ILE 36 Ca -0.06 -0.65 0.06 0.00 0.00 0.00 0.00 60.65 60.00 1xkr s ILE 36 Cb -0.13 -1.35 -0.04 0.00 0.01 0.00 0.00 42.46 40.95 1xkr s ILE 36 CO 0.03 0.44 -0.12 -0.94 0.00 0.00 0.00 174.94 174.35 1xkr s SER 37 N 0.84 2.03 -0.40 3.58 1.04 -0.59 -4.07 113.70 116.13 1xkr s SER 37 Ca -0.10 -1.00 0.02 0.00 0.48 0.00 0.00 55.95 55.35 1xkr s SER 37 Cb -0.15 -0.05 0.11 0.00 0.10 0.00 0.00 66.02 66.03 1xkr s SER 37 CO 0.01 -0.27 0.14 -0.69 0.98 0.00 0.00 173.24 173.41 1xkr s VAL 38 N -3.13 2.64 0.24 5.02 1.01 -1.26 -0.69 120.40 124.23 1xkr s VAL 38 Ca 0.18 -2.48 -0.04 0.00 0.00 0.00 0.00 61.98 59.63 1xkr s VAL 38 Cb 0.01 -2.88 0.21 0.00 0.00 0.00 0.00 36.38 33.72 1xkr s VAL 38 CO 0.03 -0.67 1.79 1.55 0.00 0.00 0.00 175.10 177.79 1xkr h PRO 39 N 7.49 0.67 -2.49 2.72 0.13 -1.97 -3.46 132.00 135.09 1xkr h PRO 39 Ca -0.06 -0.04 0.15 0.00 -0.87 0.00 0.00 66.00 65.18 1xkr h PRO 39 Cb 1.00 -0.15 -0.07 0.00 0.13 0.00 0.00 31.00 31.91 1xkr h PRO 39 CO 0.60 0.44 0.45 0.54 -0.23 0.00 0.00 178.00 179.80 1xkr s ASN 40 N -5.53 -0.16 0.09 1.44 2.20 -1.26 -5.13 114.94 106.58 1xkr s ASN 40 Ca -0.12 -0.50 0.08 0.00 -0.94 0.00 0.00 52.86 51.37 1xkr s ASN 40 Cb 0.19 0.54 -0.03 0.00 -2.00 0.00 0.00 41.25 39.95 1xkr s ASN 40 CO 0.77 -1.02 -0.20 -0.69 -2.94 0.00 0.00 177.10 173.03 1xkr s VAL 41 N -3.22 1.63 -0.00 3.54 1.01 -1.26 -4.10 120.40 117.99 1xkr s VAL 41 Ca 0.13 -1.47 -0.05 0.00 0.00 0.00 0.00 61.98 60.59 1xkr s VAL 41 Cb -0.02 -1.48 -0.00 0.00 0.00 0.00 0.00 36.38 34.87 1xkr s VAL 41 CO 0.04 -0.05 0.11 -1.83 0.00 0.00 0.00 175.10 173.37 1xkr s GLU 42 N -1.79 0.38 -0.36 2.72 -1.05 -0.66 -5.01 118.70 112.93 1xkr s GLU 42 Ca 0.06 -0.32 -0.10 0.00 -0.15 0.00 0.00 54.97 54.45 1xkr s GLU 42 Cb -0.10 0.16 0.02 0.00 -0.44 0.00 0.00 34.13 33.77 1xkr s GLU 42 CO 0.04 -0.08 0.19 0.42 0.95 0.00 0.00 175.26 176.77 1xkr s ILE 43 N -1.09 4.53 0.03 1.83 -1.09 -1.26 -0.63 121.20 123.52 1xkr s ILE 43 Ca -0.12 -0.80 0.02 0.00 -2.23 0.00 0.00 60.65 57.53 1xkr s ILE 43 Cb -0.07 -3.49 -0.02 0.00 -1.58 0.00 0.00 42.46 37.30 1xkr s ILE 43 CO 0.01 -0.18 -0.07 0.54 -1.23 0.00 0.00 174.94 174.01 1xkr s VAL 44 N 1.56 0.52 0.43 2.92 0.11 -0.92 -4.93 120.40 120.09 1xkr s VAL 44 Ca 0.02 -0.90 -0.25 0.00 -2.93 0.00 0.00 61.98 57.92 1xkr s VAL 44 Cb -0.19 -0.56 -0.08 0.00 -1.53 0.00 0.00 36.38 34.02 1xkr s VAL 44 CO 0.06 -0.27 1.34 -2.16 -3.33 0.00 0.00 175.10 170.74 1xkr s PRO 45 N -1.27 3.81 0.41 1.54 0.04 -1.26 -1.12 135.00 137.15 1xkr s PRO 45 Ca -0.07 2.22 0.13 0.00 0.04 0.00 0.00 61.00 63.31 1xkr s PRO 45 Cb -0.08 -2.67 0.96 0.00 0.04 0.00 0.00 34.50 32.75 1xkr s PRO 45 CO 0.00 -0.65 1.93 0.97 0.04 0.00 0.00 177.00 179.29 1xkr h ILE 46 N 2.30 0.86 0.00 0.56 6.09 -0.85 -1.53 117.51 124.94 1xkr h ILE 46 Ca -0.50 -0.18 0.00 0.00 -1.37 0.00 0.00 64.86 62.81 1xkr h ILE 46 Cb 1.26 0.30 0.00 0.00 0.47 0.00 0.00 36.82 38.84 1xkr h ILE 46 CO 0.62 0.09 0.00 -1.54 -3.07 0.00 0.00 178.15 174.25 1xkr n SER 47 N -4.49 0.00 -0.18 2.19 3.41 -1.26 -2.97 113.62 110.31 1xkr n SER 47 Ca 0.13 -0.47 0.03 0.00 -0.26 0.00 0.00 58.87 58.30 1xkr n SER 47 Cb 0.44 -0.11 0.01 0.00 -0.26 0.00 0.00 64.21 64.29 1xkr n SER 47 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1xkr n LYS 48 N -1.11 0.82 -0.16 4.33 5.02 -0.58 -4.63 118.16 121.85 1xkr n LYS 48 Ca 0.15 -0.68 0.01 0.00 -2.02 0.00 0.00 58.31 55.77 1xkr n LYS 48 Cb 0.12 -1.04 0.27 0.00 -0.02 0.00 0.00 35.03 34.36 1xkr n LYS 48 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1xkr h VAL 49 N 0.90 1.18 -0.54 -0.18 2.07 -1.53 -1.80 116.25 116.36 1xkr h VAL 49 Ca 0.00 -0.39 0.14 0.00 0.82 0.00 0.00 66.70 67.27 1xkr h VAL 49 Cb 0.21 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 1xkr h VAL 49 CO 0.00 0.19 0.38 -0.29 0.02 0.00 0.00 177.57 177.87 1xkr h ILE 50 N 0.90 0.76 0.00 4.57 6.09 -1.82 -0.06 117.51 127.94 1xkr h ILE 50 Ca 0.24 -0.03 0.00 0.00 -1.37 0.00 0.00 64.86 63.70 1xkr h ILE 50 Cb -0.05 0.68 0.00 0.00 0.47 0.00 0.00 36.82 37.92 1xkr h ILE 50 CO -0.05 0.01 0.00 0.49 -3.07 0.00 0.00 178.15 175.54 1xkr n PHE 51 N -4.40 0.17 0.09 2.19 3.01 -0.68 -2.38 117.46 115.46 1xkr n PHE 51 Ca 0.10 0.06 -0.01 0.00 1.01 0.00 0.00 57.45 58.60 1xkr n PHE 51 Cb 0.56 -0.59 -0.05 0.00 -0.01 0.00 0.00 39.48 39.40 1xkr n PHE 51 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 1xkr h ILE 52 N 0.00 1.04 -3.96 4.37 2.04 -1.11 -3.46 117.51 116.44 1xkr h ILE 52 Ca 0.00 -2.56 -0.53 0.00 1.00 0.00 0.00 64.86 62.77 1xkr h ILE 52 Cb 0.42 2.48 0.10 0.00 -0.74 0.00 0.00 36.82 39.07 1xkr h ILE 52 CO 0.00 0.59 0.68 0.00 0.00 0.00 0.00 178.15 179.42 1xkr s ALA 53 N -2.86 3.34 0.30 1.87 0.00 -1.00 -4.91 121.76 118.49 1xkr s ALA 53 Ca 0.01 1.39 0.09 0.00 0.00 0.00 0.00 51.96 53.45 1xkr s ALA 53 Cb 0.08 -3.55 0.46 0.00 0.00 0.00 0.00 23.12 20.12 1xkr s ALA 53 CO 0.78 -0.99 1.69 0.87 0.00 0.00 0.00 175.76 178.12 1xkr h LYS 54 N 2.68 0.12 -2.87 0.00 1.57 -1.89 -3.41 116.57 112.78 1xkr h LYS 54 Ca -0.50 -0.07 -0.43 0.00 -1.87 0.00 0.00 60.65 57.78 1xkr h LYS 54 Cb 1.25 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 33.17 1xkr h LYS 54 CO 0.63 0.58 -0.72 0.34 -0.57 0.00 0.00 179.45 179.71 1xkr s ASP 55 N -6.89 2.24 0.13 0.86 -1.08 -1.26 -5.01 116.67 105.66 1xkr s ASP 55 Ca -0.03 -0.61 0.15 0.00 -0.52 0.00 0.00 52.55 51.54 1xkr s ASP 55 Cb 0.13 -0.09 0.69 0.00 -1.46 0.00 0.00 42.92 42.19 1xkr s ASP 55 CO 0.76 -0.36 1.47 -0.81 0.52 0.00 0.00 175.17 176.76 1xkr n PRO 56 N 5.29 0.08 -0.03 4.34 -0.04 -1.26 -2.11 135.00 141.27 1xkr n PRO 56 Ca -0.06 0.42 0.11 0.00 -0.04 0.00 0.00 63.50 63.92 1xkr n PRO 56 Cb 0.48 -1.69 0.11 0.00 -0.04 0.00 0.00 33.50 32.36 1xkr n PRO 56 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1xkr n GLU 57 N -1.84 1.99 -2.07 0.54 1.02 -1.26 -2.22 120.64 116.80 1xkr n GLU 57 Ca 0.02 -1.83 -0.41 0.00 -0.02 0.00 0.00 57.16 54.92 1xkr n GLU 57 Cb 0.13 -1.41 -0.02 0.00 -0.02 0.00 0.00 31.44 30.11 1xkr n GLU 57 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1xkr s GLU 58 N -1.68 4.31 -0.10 3.49 2.12 -0.90 -4.70 118.70 121.24 1xkr s GLU 58 Ca 0.26 2.23 -0.30 0.00 0.36 0.00 0.00 54.97 57.52 1xkr s GLU 58 Cb 0.18 -3.13 -0.02 0.00 0.26 0.00 0.00 34.13 31.42 1xkr s GLU 58 CO 0.27 -0.36 1.04 0.42 -0.54 0.00 0.00 175.26 176.09 1xkr s ILE 59 N -0.01 4.69 0.33 -3.70 -1.09 -1.26 -1.13 121.20 119.02 1xkr s ILE 59 Ca 0.58 1.96 0.03 0.00 -2.23 0.00 0.00 60.65 60.99 1xkr s ILE 59 Cb -0.40 -4.26 -0.05 0.00 -1.58 0.00 0.00 42.46 36.17 1xkr s ILE 59 CO 0.42 0.00 0.10 0.68 -1.23 0.00 0.00 174.94 174.91 1xkr s VAL 60 N 2.04 0.80 -0.19 2.92 -7.23 0.04 -4.24 120.40 114.54 1xkr s VAL 60 Ca 0.50 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.60 1xkr s VAL 60 Cb -0.19 -2.62 -0.03 0.00 0.56 0.00 0.00 36.38 34.09 1xkr s VAL 60 CO 0.19 0.00 0.04 -0.69 -0.31 0.00 0.00 175.10 174.32 1xkr s VAL 61 N -3.43 4.46 -0.06 1.32 1.01 -0.22 -2.00 120.40 121.47 1xkr s VAL 61 Ca 0.34 -0.15 0.05 0.00 0.00 0.00 0.00 61.98 62.22 1xkr s VAL 61 Cb 0.07 -3.01 -0.01 0.00 0.00 0.00 0.00 36.38 33.43 1xkr s VAL 61 CO 0.15 0.45 -0.22 -0.83 0.00 0.00 0.00 175.10 174.65 1xkr s GLY 62 N 0.58 1.18 -0.19 4.51 0.00 0.59 -0.69 107.32 113.29 1xkr s GLY 62 Ca 0.01 -0.90 0.00 0.00 0.00 0.00 0.00 44.72 43.83 1xkr s GLY 62 CO 0.02 -0.47 -0.08 0.14 0.00 0.00 0.00 173.10 172.71 1xkr s VAL 63 N 0.03 1.47 -0.15 1.40 1.01 -0.09 -0.63 120.40 123.44 1xkr s VAL 63 Ca -0.07 -0.92 -0.06 0.00 0.00 0.00 0.00 61.98 60.93 1xkr s VAL 63 Cb -0.14 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 1xkr s VAL 63 CO 0.04 0.13 0.04 -0.75 0.00 0.00 0.00 175.10 174.56 1xkr s LYS 64 N 1.46 3.71 -0.31 2.72 2.20 0.12 -0.98 119.74 128.67 1xkr s LYS 64 Ca -0.01 -0.36 0.03 0.00 -0.36 0.00 0.00 55.97 55.27 1xkr s LYS 64 Cb -0.16 -3.09 0.09 0.00 -1.51 0.00 0.00 37.83 33.16 1xkr s LYS 64 CO -0.08 0.39 0.01 1.41 -0.36 0.00 0.00 175.35 176.73 1xkr s MET 65 N 0.01 1.57 0.49 4.03 -2.45 0.20 0.01 119.30 123.16 1xkr s MET 65 Ca 0.05 -1.61 -0.22 0.00 -1.25 0.00 0.00 55.69 52.66 1xkr s MET 65 Cb -0.12 -2.96 -0.07 0.00 1.25 0.00 0.00 34.83 32.93 1xkr s MET 65 CO 0.01 -0.84 1.19 -1.25 1.05 0.00 0.00 175.02 175.18 1xkr s PRO 66 N 1.06 3.59 0.08 4.11 0.04 -1.26 -1.23 135.00 141.39 1xkr s PRO 66 Ca 0.05 1.81 0.07 0.00 0.04 0.00 0.00 61.00 62.98 1xkr s PRO 66 Cb -0.19 -2.31 -0.03 0.00 0.04 0.00 0.00 34.50 32.01 1xkr s PRO 66 CO -0.09 -0.70 -0.19 0.14 0.04 0.00 0.00 177.00 176.20 1xkr s VAL 67 N -1.55 1.51 0.15 -0.36 -7.23 -0.00 -1.29 120.40 111.63 1xkr s VAL 67 Ca 0.66 -1.42 -0.06 0.00 -1.81 0.00 0.00 61.98 59.35 1xkr s VAL 67 Cb -0.30 -1.38 -0.02 0.00 0.56 0.00 0.00 36.38 35.25 1xkr s VAL 67 CO 0.35 -0.08 0.20 0.28 -0.31 0.00 0.00 175.10 175.55 1xkr s THR 68 N -1.14 0.08 0.00 5.32 -1.32 -0.47 -2.28 115.64 115.83 1xkr s THR 68 Ca 0.04 -1.54 0.00 0.00 -1.21 0.00 0.00 61.69 58.98 1xkr s THR 68 Cb -0.10 -1.87 0.00 0.00 -1.51 0.00 0.00 72.50 69.03 1xkr s THR 68 CO 0.03 -0.38 0.00 0.61 -2.21 0.00 0.00 174.62 172.67 1xkr n GLY 69 N -0.16 0.37 0.27 6.08 0.00 -1.26 -0.55 105.19 109.94 1xkr n GLY 69 Ca -0.07 -1.44 0.16 0.00 0.00 0.00 0.00 46.02 44.67 1xkr n GLY 69 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1xkr h ASP 70 N 0.00 0.00 -3.50 1.61 3.32 -1.42 -3.40 116.42 113.03 1xkr h ASP 70 Ca 0.00 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.55 1xkr h ASP 70 Cb 0.00 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 39.22 1xkr h ASP 70 CO 0.00 0.08 -0.81 -0.63 -1.72 0.00 0.00 179.24 176.16 1xkr s ILE 71 N -3.91 1.07 -0.06 0.35 -1.09 -1.26 -4.99 121.20 111.31 1xkr s ILE 71 Ca -0.01 -0.45 0.04 0.00 -2.23 0.00 0.00 60.65 58.00 1xkr s ILE 71 Cb 0.11 -0.98 -0.02 0.00 -1.58 0.00 0.00 42.46 39.99 1xkr s ILE 71 CO 0.55 0.34 -0.18 -1.61 -1.23 0.00 0.00 174.94 172.81 1xkr s GLU 72 N 0.59 2.58 0.00 2.79 0.41 -1.26 -3.12 118.70 120.69 1xkr s GLU 72 Ca -0.12 -0.77 0.00 0.00 -0.41 0.00 0.00 54.97 53.67 1xkr s GLU 72 Cb -0.15 -2.32 0.00 0.00 -1.78 0.00 0.00 34.13 29.88 1xkr s GLU 72 CO 0.03 0.51 0.00 0.41 -0.49 0.00 0.00 175.26 175.72 1xkr n GLY 73 N 2.62 0.04 3.42 -1.39 0.00 -0.97 -0.94 105.19 107.97 1xkr n GLY 73 Ca -0.17 -0.93 -0.12 0.00 0.00 0.00 0.00 46.02 44.79 1xkr n GLY 73 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xkr s SER 74 N -4.00 -0.57 -0.12 1.61 1.04 -0.43 -0.82 113.70 110.40 1xkr s SER 74 Ca 0.00 0.00 0.02 0.00 0.48 0.00 0.00 55.95 56.45 1xkr s SER 74 Cb 0.00 0.60 -0.01 0.00 0.10 0.00 0.00 66.02 66.71 1xkr s SER 74 CO 0.00 -0.97 -0.18 -0.69 0.98 0.00 0.00 173.24 172.39 1xkr s VAL 75 N -3.73 2.59 -0.08 5.02 1.01 -0.37 -0.07 120.40 124.77 1xkr s VAL 75 Ca 0.01 -0.82 0.05 0.00 0.00 0.00 0.00 61.98 61.22 1xkr s VAL 75 Cb -0.01 -2.06 -0.00 0.00 0.00 0.00 0.00 36.38 34.31 1xkr s VAL 75 CO -0.13 0.54 -0.24 -0.22 0.00 0.00 0.00 175.10 175.05 1xkr s LEU 76 N 0.45 2.07 -0.13 3.92 2.96 -0.04 -0.63 118.68 127.28 1xkr s LEU 76 Ca -0.13 -0.53 -0.02 0.00 -0.22 0.00 0.00 54.13 53.23 1xkr s LEU 76 Cb -0.17 -1.37 -0.03 0.00 0.50 0.00 0.00 46.19 45.13 1xkr s LEU 76 CO 0.06 0.19 -0.05 -0.22 -1.32 0.00 0.00 176.35 175.01 1xkr s LEU 77 N 0.13 3.23 -0.16 -0.68 0.20 -0.15 -1.21 118.68 120.05 1xkr s LEU 77 Ca -0.12 -0.09 0.01 0.00 0.69 0.00 0.00 54.13 54.62 1xkr s LEU 77 Cb -0.16 -1.76 0.02 0.00 -0.43 0.00 0.00 46.19 43.86 1xkr s LEU 77 CO 0.06 0.23 -0.17 -0.63 -0.29 0.00 0.00 176.35 175.55 1xkr s ILE 78 N -0.02 1.82 -0.17 6.68 -1.09 0.66 -0.91 121.20 128.16 1xkr s ILE 78 Ca 0.01 -0.80 0.01 0.00 -2.23 0.00 0.00 60.65 57.64 1xkr s ILE 78 Cb -0.13 -1.66 0.01 0.00 -1.58 0.00 0.00 42.46 39.10 1xkr s ILE 78 CO 0.03 0.50 -0.18 -0.04 -1.23 0.00 0.00 174.94 174.02 1xkr s MET 79 N 1.29 3.06 1.04 2.79 -1.94 0.13 -1.54 119.30 124.13 1xkr s MET 79 Ca 0.03 -0.80 -0.18 0.00 -1.71 0.00 0.00 55.69 53.03 1xkr s MET 79 Cb -0.13 -2.59 0.24 0.00 2.01 0.00 0.00 34.83 34.35 1xkr s MET 79 CO -0.10 -0.14 1.32 0.20 -0.01 0.00 0.00 175.02 176.29 1xkr s GLY 80 N 1.14 1.79 0.16 -0.03 0.00 -1.26 -1.05 107.32 108.06 1xkr s GLY 80 Ca 0.01 -1.29 -0.19 0.00 0.00 0.00 0.00 44.72 43.25 1xkr s GLY 80 CO -0.08 -0.44 1.65 -0.84 0.00 0.00 0.00 173.10 173.39 1xkr h THR 81 N -1.92 0.51 -0.07 0.90 2.02 -1.98 -1.42 112.91 110.94 1xkr h THR 81 Ca -0.44 0.00 0.01 0.00 0.77 0.00 0.00 66.41 66.75 1xkr h THR 81 Cb 1.22 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 1xkr h THR 81 CO 0.31 0.00 0.00 0.74 0.37 0.00 0.00 175.52 176.94 1xkr h THR 82 N -0.11 0.96 -0.03 3.16 2.02 -1.96 -1.68 112.91 115.27 1xkr h THR 82 Ca 0.16 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.33 1xkr h THR 82 Cb 0.36 0.92 -0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1xkr h THR 82 CO -0.39 0.01 0.02 0.58 0.37 0.00 0.00 175.52 176.10 1xkr h VAL 83 N 0.03 1.03 -0.18 3.16 2.07 -1.84 -1.91 116.25 118.61 1xkr h VAL 83 Ca 0.03 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.49 1xkr h VAL 83 Cb 0.03 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1xkr h VAL 83 CO -0.05 0.02 0.08 0.58 0.02 0.00 0.00 177.57 178.23 1xkr h VAL 84 N 0.01 0.99 -0.75 2.57 2.07 -1.20 -1.40 116.25 118.54 1xkr h VAL 84 Ca 0.01 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 1xkr h VAL 84 Cb 0.02 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 1xkr h VAL 84 CO -0.00 0.03 0.38 0.11 0.02 0.00 0.00 177.57 178.11 1xkr h LYS 85 N 0.18 1.06 -0.10 1.57 1.57 -1.26 -1.17 116.57 118.43 1xkr h LYS 85 Ca 0.07 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1xkr h LYS 85 Cb 0.02 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.13 1xkr h LYS 85 CO -0.06 0.80 -0.02 -0.22 -0.57 0.00 0.00 179.45 179.38 1xkr h LYS 86 N 1.06 0.18 -0.43 3.15 1.63 -1.08 -0.62 116.57 120.46 1xkr h LYS 86 Ca 0.26 -0.07 0.02 0.00 -0.85 0.00 0.00 60.65 60.02 1xkr h LYS 86 Cb 0.07 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.66 1xkr h LYS 86 CO -0.04 0.49 0.24 0.82 -3.45 0.00 0.00 179.45 177.52 1xkr h ILE 87 N -0.14 1.02 -0.23 2.00 2.04 -1.09 -1.80 117.51 119.32 1xkr h ILE 87 Ca 0.02 -0.17 -0.09 0.00 1.00 0.00 0.00 64.86 65.63 1xkr h ILE 87 Cb 0.42 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 1xkr h ILE 87 CO 0.01 0.09 -0.25 -0.07 0.00 0.00 0.00 178.15 177.93 1xkr h LEU 88 N 0.49 0.43 -0.25 1.44 3.38 -1.17 -0.73 115.31 118.89 1xkr h LEU 88 Ca 0.17 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1xkr h LEU 88 Cb 0.03 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1xkr h LEU 88 CO -0.09 0.68 0.08 -0.08 0.09 0.00 0.00 178.44 179.12 1xkr h GLU 89 N 0.38 0.39 -0.49 1.13 4.81 -0.76 0.15 114.58 120.19 1xkr h GLU 89 Ca 0.06 -0.08 -0.09 0.00 -0.13 0.00 0.00 59.36 59.12 1xkr h GLU 89 Cb 0.64 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.95 1xkr h GLU 89 CO 0.05 0.46 -0.03 0.82 -0.73 0.00 0.00 179.01 179.57 1xkr h ILE 90 N 0.24 1.27 -0.00 2.32 2.04 -1.14 0.18 117.51 122.41 1xkr h ILE 90 Ca 0.08 -1.13 -0.02 0.00 1.00 0.00 0.00 64.86 64.79 1xkr h ILE 90 Cb 0.23 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 1xkr h ILE 90 CO -0.00 0.39 -0.07 0.25 0.00 0.00 0.00 178.15 178.72 1xkr h LEU 91 N 0.74 0.07 -0.43 1.44 5.85 -1.02 -3.37 115.31 118.59 1xkr h LEU 91 Ca 0.13 -0.75 0.00 0.00 0.84 0.00 0.00 57.88 58.11 1xkr h LEU 91 Cb 0.56 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.57 1xkr h LEU 91 CO 0.03 0.81 -0.71 0.35 -0.34 0.00 0.00 178.44 178.58 1xkr n THR 92 N -4.67 0.00 -0.62 1.05 -2.24 0.52 -4.97 114.28 103.34 1xkr n THR 92 Ca -0.09 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1xkr n THR 92 Cb 0.40 1.11 0.00 0.00 -2.10 0.00 0.00 70.33 69.74 1xkr n THR 92 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xkr n GLY 93 N 1.41 1.16 2.93 3.38 0.00 0.62 -5.00 105.19 109.70 1xkr n GLY 93 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 1xkr n GLY 93 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xkr s ARG 94 N -0.23 0.10 -0.26 1.61 3.52 -1.21 -4.94 118.95 117.55 1xkr s ARG 94 Ca 0.00 0.38 -0.16 0.00 -0.13 0.00 0.00 55.73 55.83 1xkr s ARG 94 Cb 0.00 -0.18 -0.04 0.00 -1.56 0.00 0.00 34.95 33.18 1xkr s ARG 94 CO 0.00 -0.17 0.40 0.00 -0.81 0.00 0.00 175.30 174.73 1xkr s ALA 95 N 1.18 3.57 0.61 6.12 0.00 -1.26 -3.69 121.76 128.28 1xkr s ALA 95 Ca -0.09 -0.73 -0.18 0.00 0.00 0.00 0.00 51.96 50.95 1xkr s ALA 95 Cb -0.11 -2.73 -0.03 0.00 0.00 0.00 0.00 23.12 20.25 1xkr s ALA 95 CO -0.06 -0.61 1.21 -1.25 0.00 0.00 0.00 175.76 175.05 1xkr s PRO 96 N 1.98 2.89 0.19 0.00 0.04 -1.26 -4.95 135.00 133.90 1xkr s PRO 96 Ca 0.17 1.84 -0.02 0.00 0.04 0.00 0.00 61.00 63.03 1xkr s PRO 96 Cb -0.16 -1.92 0.10 0.00 0.04 0.00 0.00 34.50 32.57 1xkr s PRO 96 CO 0.09 -1.27 1.48 -0.44 0.04 0.00 0.00 177.00 176.90 1xkr h ASP 97 N 0.79 0.52 -4.04 6.66 3.32 -2.00 -3.46 116.42 118.20 1xkr h ASP 97 Ca -0.50 -0.31 -0.32 0.00 0.02 0.00 0.00 57.03 55.92 1xkr h ASP 97 Cb 1.30 -0.15 -0.15 0.00 0.22 0.00 0.00 39.33 40.55 1xkr h ASP 97 CO 0.55 1.02 -0.71 0.54 -1.72 0.00 0.00 179.24 178.92 1xkr s ASN 98 N -6.95 1.71 0.00 6.45 4.22 -1.26 -5.03 114.94 114.08 1xkr s ASN 98 Ca -0.06 -1.02 0.25 0.00 -2.14 0.00 0.00 52.86 49.88 1xkr s ASN 98 Cb 0.11 0.00 0.41 0.00 1.28 0.00 0.00 41.25 43.05 1xkr s ASN 98 CO 0.84 -0.36 1.38 0.18 -2.04 0.00 0.00 177.10 177.10 1xkr n LEU 99 N -0.19 2.72 0.16 3.54 4.77 -1.26 -4.42 117.00 122.32 1xkr n LEU 99 Ca -0.10 -0.95 0.03 0.00 -0.03 0.00 0.00 56.01 54.95 1xkr n LEU 99 Cb 0.61 -0.04 0.22 0.00 -2.33 0.00 0.00 43.42 41.88 1xkr n LEU 99 CO 0.32 0.48 0.57 -0.07 -1.33 0.00 0.00 177.39 177.35 1xkr h LEU 100 N 4.13 0.00 -4.81 2.23 3.38 -1.98 -3.35 115.31 114.90 1xkr h LEU 100 Ca 0.00 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.50 1xkr h LEU 100 Cb 0.88 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.22 1xkr h LEU 100 CO 0.00 0.50 -0.97 0.59 0.09 0.00 0.00 178.44 178.64 1xkr n ASN 101 N -3.53 2.99 -4.77 -0.43 5.03 -1.26 -5.09 115.26 108.20 1xkr n ASN 101 Ca -0.00 -3.20 -0.41 0.00 0.87 0.00 0.00 54.58 51.84 1xkr n ASN 101 Cb 0.60 -0.50 -0.02 0.00 -1.02 0.00 0.00 39.78 38.84 1xkr n ASN 101 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1xkr s LEU 102 N -3.30 4.39 0.98 3.41 1.43 -1.26 -4.99 118.68 119.34 1xkr s LEU 102 Ca 0.37 2.79 -0.12 0.00 -1.03 0.00 0.00 54.13 56.15 1xkr s LEU 102 Cb 0.43 -3.65 0.18 0.00 0.03 0.00 0.00 46.19 43.18 1xkr s LEU 102 CO -0.07 -0.68 1.08 1.51 0.23 0.00 0.00 176.35 178.43 1xkr s ASP 103 N -0.18 2.67 0.31 2.29 3.84 -1.26 -4.78 116.67 119.56 1xkr s ASP 103 Ca 0.53 1.42 -0.01 0.00 -0.00 0.00 0.00 52.55 54.48 1xkr s ASP 103 Cb -0.42 -2.09 0.47 0.00 -1.38 0.00 0.00 42.92 39.49 1xkr s ASP 103 CO 0.53 -3.13 1.97 -0.33 -0.00 0.00 0.00 175.17 174.21 1xkr h GLU 104 N -1.89 1.04 -0.05 2.11 5.08 -1.99 -2.09 114.58 116.79 1xkr h GLU 104 Ca -0.53 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 57.76 1xkr h GLU 104 Cb 1.31 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 1xkr h GLU 104 CO 0.54 0.70 0.03 0.35 -1.00 0.00 0.00 179.01 179.63 1xkr h PHE 105 N 1.07 0.07 -0.61 4.33 3.04 -1.99 -1.13 116.94 121.72 1xkr h PHE 105 Ca 0.29 -0.00 -0.07 0.00 3.98 0.00 0.00 57.97 62.17 1xkr h PHE 105 Cb -0.11 -0.02 -0.02 0.00 2.56 0.00 0.00 35.95 38.35 1xkr h PHE 105 CO 0.00 0.14 0.11 0.77 -2.02 0.00 0.00 178.31 177.31 1xkr h SER 106 N -0.02 0.96 -0.57 0.41 0.02 -1.89 -1.03 113.55 111.43 1xkr h SER 106 Ca 0.02 -0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 60.70 1xkr h SER 106 Cb 0.09 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.35 1xkr h SER 106 CO -0.00 0.97 0.31 0.00 -1.14 0.00 0.00 176.83 176.96 1xkr h ALA 107 N 1.03 0.74 -0.48 3.77 0.00 -1.29 -0.30 119.26 122.72 1xkr h ALA 107 Ca 0.19 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1xkr h ALA 107 Cb 0.41 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1xkr h ALA 107 CO 0.01 0.26 0.05 0.77 0.00 0.00 0.00 179.25 180.34 1xkr h SER 108 N 0.77 0.73 -0.39 0.00 0.02 -0.93 -0.32 113.55 113.42 1xkr h SER 108 Ca 0.20 -0.15 -0.06 0.00 -0.84 0.00 0.00 61.79 60.94 1xkr h SER 108 Cb 0.06 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 1xkr h SER 108 CO -0.03 0.77 0.02 0.00 -1.14 0.00 0.00 176.83 176.45 1xkr h ALA 109 N 1.32 0.52 -0.75 3.77 0.00 -0.69 0.05 119.26 123.48 1xkr h ALA 109 Ca 0.15 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1xkr h ALA 109 Cb 0.37 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1xkr h ALA 109 CO 0.01 0.28 0.24 -0.07 0.00 0.00 0.00 179.25 179.71 1xkr h LEU 110 N 0.51 1.08 -0.65 0.00 4.07 -0.73 -0.24 115.31 119.33 1xkr h LEU 110 Ca 0.11 -0.20 -0.04 0.00 0.08 0.00 0.00 57.88 57.84 1xkr h LEU 110 Cb 0.43 -0.28 -0.03 0.00 1.08 0.00 0.00 40.66 41.86 1xkr h LEU 110 CO 0.02 0.99 0.25 -0.09 -1.08 0.00 0.00 178.44 178.53 1xkr h ARG 111 N 1.11 0.99 -0.27 1.13 2.43 -0.79 -1.60 114.38 117.39 1xkr h ARG 111 Ca 0.24 -0.19 -0.12 0.00 -0.81 0.00 0.00 59.98 59.11 1xkr h ARG 111 Cb 0.29 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 1xkr h ARG 111 CO -0.01 0.83 -0.32 1.49 -1.51 0.00 0.00 179.97 180.46 1xkr h GLU 112 N 0.93 0.56 -0.74 0.20 4.57 -0.56 0.49 114.58 120.02 1xkr h GLU 112 Ca 0.22 -0.25 -0.02 0.00 -1.18 0.00 0.00 59.36 58.13 1xkr h GLU 112 Cb 0.23 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.77 1xkr h GLU 112 CO -0.02 0.81 0.37 0.82 -1.18 0.00 0.00 179.01 179.81 1xkr h ILE 113 N 0.48 1.23 -0.56 2.32 5.03 -0.67 -0.46 117.51 124.88 1xkr h ILE 113 Ca 0.06 -0.63 -0.10 0.00 -0.12 0.00 0.00 64.86 64.07 1xkr h ILE 113 Cb 0.78 0.30 -0.02 0.00 -3.03 0.00 0.00 36.82 34.85 1xkr h ILE 113 CO 0.06 0.27 -0.03 1.23 -0.68 0.00 0.00 178.15 179.00 1xkr h GLY 114 N 1.03 1.07 1.01 5.37 0.00 -0.81 -0.79 103.07 109.94 1xkr h GLY 114 Ca 0.26 -0.79 0.01 0.00 0.00 0.00 0.00 47.33 46.80 1xkr h GLY 114 CO -0.04 0.72 0.49 -0.57 0.00 0.00 0.00 176.54 177.15 1xkr h ASN 115 N 0.90 0.86 -0.06 0.19 -1.24 -0.29 0.11 115.58 116.05 1xkr h ASN 115 Ca 0.16 -0.03 -0.02 0.00 0.71 0.00 0.00 56.30 57.12 1xkr h ASN 115 Cb 0.57 -0.22 -0.00 0.00 0.73 0.00 0.00 38.32 39.40 1xkr h ASN 115 CO 0.03 0.63 -0.03 0.40 -1.29 0.00 0.00 177.43 177.17 1xkr h ILE 116 N 1.01 1.32 -0.01 2.57 2.04 -0.84 0.38 117.51 123.98 1xkr h ILE 116 Ca 0.27 -1.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.11 1xkr h ILE 116 Cb -0.11 1.89 -0.00 0.00 -0.74 0.00 0.00 36.82 37.86 1xkr h ILE 116 CO -0.06 0.28 0.01 0.24 0.00 0.00 0.00 178.15 178.62 1xkr h MET 117 N -0.26 0.01 -0.19 2.37 2.86 -0.94 -1.40 114.93 117.39 1xkr h MET 117 Ca 0.01 -0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.59 1xkr h MET 117 Cb 0.46 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.11 1xkr h MET 117 CO 0.01 0.05 -0.13 0.00 1.06 0.00 0.00 176.91 177.89 1xkr h GLY 119 N 0.10 0.37 1.85 0.00 0.00 -0.89 -0.71 103.07 103.80 1xkr h GLY 119 Ca 0.04 -0.14 -0.06 0.00 0.00 0.00 0.00 47.33 47.17 1xkr h GLY 119 CO 0.04 0.14 -0.19 -0.91 0.00 0.00 0.00 176.54 175.62 1xkr h THR 120 N 0.35 1.19 -0.11 4.70 1.35 -1.33 -0.76 112.91 118.31 1xkr h THR 120 Ca 0.10 -0.88 -0.04 0.00 -0.55 0.00 0.00 66.41 65.03 1xkr h THR 120 Cb -0.02 1.32 -0.00 0.00 -1.73 0.00 0.00 68.15 67.71 1xkr h THR 120 CO -0.02 0.27 -0.10 0.22 -0.25 0.00 0.00 175.52 175.64 1xkr h TYR 121 N 0.17 0.30 -0.79 4.73 3.20 -1.21 -2.35 116.97 121.04 1xkr h TYR 121 Ca 0.03 -0.09 0.02 0.00 3.14 0.00 0.00 58.73 61.83 1xkr h TYR 121 Cb 0.44 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.60 1xkr h TYR 121 CO 0.01 0.66 0.51 0.28 -1.64 0.00 0.00 178.16 177.98 1xkr h VAL 122 N -0.15 1.16 -0.72 1.81 2.07 -0.84 -0.35 116.25 119.24 1xkr h VAL 122 Ca 0.02 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 1xkr h VAL 122 Cb 0.61 0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.39 1xkr h VAL 122 CO 0.02 0.19 0.44 -1.28 0.02 0.00 0.00 177.57 176.96 1xkr h SER 123 N 1.03 0.87 -0.11 0.57 0.87 -1.12 0.26 113.55 115.91 1xkr h SER 123 Ca 0.30 -0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.78 1xkr h SER 123 Cb -0.06 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 61.68 1xkr h SER 123 CO -0.09 0.67 -0.03 0.00 -0.53 0.00 0.00 176.83 176.86 1xkr h ALA 124 N 1.23 0.16 -0.25 6.23 0.00 -0.90 -1.75 119.26 123.98 1xkr h ALA 124 Ca 0.26 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1xkr h ALA 124 Cb -0.04 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1xkr h ALA 124 CO -0.05 -0.11 0.11 1.25 0.00 0.00 0.00 179.25 180.46 1xkr h LEU 125 N -0.10 0.16 0.65 0.00 5.85 -0.87 -0.63 115.31 120.37 1xkr h LEU 125 Ca 0.03 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 1xkr h LEU 125 Cb 0.44 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.45 1xkr h LEU 125 CO 0.01 0.13 -0.39 0.00 -0.34 0.00 0.00 178.44 177.85 1xkr h ALA 126 N 1.13 -1.00 -0.34 1.25 0.00 -0.95 -2.50 119.26 116.86 1xkr h ALA 126 Ca 0.10 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1xkr h ALA 126 Cb 0.04 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1xkr h ALA 126 CO -0.08 -1.07 0.17 -0.44 0.00 0.00 0.00 179.25 177.82 1xkr h ASP 127 N -0.98 0.44 0.42 0.00 3.45 -1.27 0.25 116.42 118.72 1xkr h ASP 127 Ca -0.08 -0.11 -0.03 0.00 0.43 0.00 0.00 57.03 57.23 1xkr h ASP 127 Cb 0.79 -0.11 -0.00 0.00 -0.56 0.00 0.00 39.33 39.44 1xkr h ASP 127 CO 0.09 0.43 -0.15 -0.26 -1.57 0.00 0.00 179.24 177.78 1xkr h PHE 128 N 0.41 0.00 -0.14 4.55 -1.00 -1.13 -2.94 116.94 116.69 1xkr h PHE 128 Ca 0.12 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.90 1xkr h PHE 128 Cb 0.10 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.66 1xkr h PHE 128 CO -0.02 0.15 0.00 1.28 -1.61 0.00 0.00 178.31 178.11 1xkr n LEU 129 N -3.67 2.26 -0.97 1.54 4.77 -0.95 -5.00 117.00 114.98 1xkr n LEU 129 Ca -0.02 -1.40 -0.06 0.00 -0.03 0.00 0.00 56.01 54.50 1xkr n LEU 129 Cb 0.27 -0.09 0.01 0.00 -2.33 0.00 0.00 43.42 41.28 1xkr n LEU 129 CO 0.31 0.50 -0.01 0.61 -1.33 0.00 0.00 177.39 177.47 1xkr n GLY 130 N 0.52 0.33 3.76 -0.72 0.00 -0.44 -4.91 105.19 103.73 1xkr n GLY 130 Ca 0.08 -0.55 -0.30 0.00 0.00 0.00 0.00 46.02 45.26 1xkr n GLY 130 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xkr s PHE 131 N -2.66 3.15 -0.43 1.61 2.99 0.74 -5.02 117.98 118.36 1xkr s PHE 131 Ca 0.07 0.04 -0.15 0.00 0.00 0.00 0.00 56.93 56.90 1xkr s PHE 131 Cb -0.03 -1.58 0.04 0.00 0.00 0.00 0.00 43.02 41.45 1xkr s PHE 131 CO 0.09 0.52 0.33 0.15 -0.00 0.00 0.00 175.22 176.30 1xkr s LYS 132 N -2.52 2.94 -0.13 0.44 -0.14 -1.26 -4.38 119.74 114.69 1xkr s LYS 132 Ca 0.29 -1.18 -0.00 0.00 -1.36 0.00 0.00 55.97 53.72 1xkr s LYS 132 Cb -0.12 -4.01 0.03 0.00 -1.68 0.00 0.00 37.83 32.05 1xkr s LYS 132 CO 0.22 -0.86 -0.09 0.42 -0.76 0.00 0.00 175.35 174.28 1xkr s ILE 133 N 1.64 1.18 0.25 2.17 1.01 -1.26 -0.89 121.20 125.29 1xkr s ILE 133 Ca 0.04 -0.45 -0.08 0.00 0.00 0.00 0.00 60.65 60.16 1xkr s ILE 133 Cb -0.21 -1.20 -0.07 0.00 0.01 0.00 0.00 42.46 40.99 1xkr s ILE 133 CO 0.08 0.34 0.55 -1.81 0.00 0.00 0.00 174.94 174.10 1xkr s ASP 134 N 1.64 6.58 0.02 3.58 1.01 0.29 -4.92 116.67 124.86 1xkr s ASP 134 Ca 0.04 0.87 0.08 0.00 0.71 0.00 0.00 52.55 54.25 1xkr s ASP 134 Cb -0.13 -2.21 -0.02 0.00 1.01 0.00 0.00 42.92 41.57 1xkr s ASP 134 CO -0.09 -0.11 -0.24 0.42 0.21 0.00 0.00 175.17 175.37 1xkr s THR 135 N -1.89 1.89 0.32 -1.27 -4.23 -1.26 -1.37 115.64 107.82 1xkr s THR 135 Ca 0.47 -1.19 0.06 0.00 -1.18 0.00 0.00 61.69 59.85 1xkr s THR 135 Cb -0.11 -1.61 -0.01 0.00 1.34 0.00 0.00 72.50 72.11 1xkr s THR 135 CO 0.24 0.37 0.45 -0.76 -0.54 0.00 0.00 174.62 174.38 1xkr s LEU 136 N -0.98 4.01 0.34 4.79 1.43 -0.41 -5.01 118.68 122.85 1xkr s LEU 136 Ca 0.09 -0.16 -0.27 0.00 -1.03 0.00 0.00 54.13 52.76 1xkr s LEU 136 Cb -0.09 -2.76 -0.12 0.00 0.03 0.00 0.00 46.19 43.25 1xkr s LEU 136 CO 0.01 -0.39 1.20 -0.81 0.23 0.00 0.00 176.35 176.60 1xkr n PRO 137 N -1.61 1.88 -1.96 1.29 -0.04 -1.26 -4.38 135.00 128.91 1xkr n PRO 137 Ca -0.01 0.66 -0.39 0.00 -0.04 0.00 0.00 63.50 63.72 1xkr n PRO 137 Cb 0.58 -2.20 0.01 0.00 -0.04 0.00 0.00 33.50 31.84 1xkr n PRO 137 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1xkr s PRO 138 N -1.85 3.81 -0.23 0.54 0.04 -1.26 -4.57 135.00 131.47 1xkr s PRO 138 Ca 0.57 2.23 -0.02 0.00 0.04 0.00 0.00 61.00 63.82 1xkr s PRO 138 Cb -0.59 -2.67 0.01 0.00 0.04 0.00 0.00 34.50 31.29 1xkr s PRO 138 CO 0.61 -0.65 -0.08 -0.65 0.04 0.00 0.00 177.00 176.27 1xkr s GLN 139 N -2.38 3.04 -0.13 4.56 -0.21 0.10 -4.93 119.66 119.72 1xkr s GLN 139 Ca 0.60 -0.83 -0.15 0.00 0.02 0.00 0.00 55.36 54.99 1xkr s GLN 139 Cb -0.40 -2.92 -0.05 0.00 1.00 0.00 0.00 33.01 30.65 1xkr s GLN 139 CO 0.50 -0.30 0.36 -1.17 -2.12 0.00 0.00 175.29 172.57 1xkr s LEU 140 N 1.37 4.29 -0.00 2.90 1.98 -1.26 -0.70 118.68 127.25 1xkr s LEU 140 Ca 0.03 0.66 0.01 0.00 -2.89 0.00 0.00 54.13 51.94 1xkr s LEU 140 Cb -0.15 -2.49 -0.00 0.00 0.66 0.00 0.00 46.19 44.21 1xkr s LEU 140 CO -0.06 0.11 -0.03 0.54 -1.89 0.00 0.00 176.35 175.02 1xkr s VAL 141 N 0.27 0.28 -0.23 1.68 0.11 0.20 -5.00 120.40 117.70 1xkr s VAL 141 Ca 0.20 -0.14 0.02 0.00 -2.93 0.00 0.00 61.98 59.14 1xkr s VAL 141 Cb -0.14 -0.25 0.05 0.00 -1.53 0.00 0.00 36.38 34.51 1xkr s VAL 141 CO 0.07 0.08 -0.13 -0.63 -3.33 0.00 0.00 175.10 171.17 1xkr s ILE 142 N -0.01 2.04 0.24 7.04 1.01 -1.26 -0.30 121.20 129.95 1xkr s ILE 142 Ca 0.01 -1.37 -0.22 0.00 0.00 0.00 0.00 60.65 59.07 1xkr s ILE 142 Cb -0.02 -2.08 0.05 0.00 0.01 0.00 0.00 42.46 40.42 1xkr s ILE 142 CO -0.00 0.13 0.87 -0.62 0.00 0.00 0.00 174.94 175.31 1xkr s ASP 143 N 1.20 -0.14 0.26 3.58 -1.08 -0.85 -4.97 116.67 114.67 1xkr s ASP 143 Ca -0.05 -0.64 -0.30 0.00 -0.52 0.00 0.00 52.55 51.04 1xkr s ASP 143 Cb -0.18 0.63 -0.10 0.00 -1.46 0.00 0.00 42.92 41.81 1xkr s ASP 143 CO -0.07 -1.20 1.48 -0.32 0.52 0.00 0.00 175.17 175.58 1xkr s MET 144 N -3.13 4.23 0.44 4.34 0.00 -1.26 -0.78 119.30 123.14 1xkr s MET 144 Ca 0.14 2.38 0.14 0.00 0.00 0.00 0.00 55.69 58.34 1xkr s MET 144 Cb -0.04 -3.08 1.04 0.00 0.00 0.00 0.00 34.83 32.75 1xkr s MET 144 CO 0.06 -0.47 2.00 0.97 0.00 0.00 0.00 175.02 177.58 1xkr h ILE 145 N 3.49 0.93 -0.55 10.11 2.10 -1.28 -1.04 117.51 131.25 1xkr h ILE 145 Ca -0.46 -0.13 -0.07 0.00 1.08 0.00 0.00 64.86 65.28 1xkr h ILE 145 Cb 1.22 0.51 -0.02 0.00 -1.09 0.00 0.00 36.82 37.44 1xkr h ILE 145 CO 0.78 0.07 0.07 0.77 -1.08 0.00 0.00 178.15 178.76 1xkr h SER 146 N 0.38 0.84 -0.47 2.19 4.64 -1.73 -2.19 113.55 117.21 1xkr h SER 146 Ca 0.24 -0.18 -0.07 0.00 -0.47 0.00 0.00 61.79 61.31 1xkr h SER 146 Cb 0.44 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.29 1xkr h SER 146 CO -0.06 0.86 0.03 0.00 -0.87 0.00 0.00 176.83 176.79 1xkr h ALA 147 N 1.24 0.63 -0.35 5.18 0.00 -1.50 -0.59 119.26 123.87 1xkr h ALA 147 Ca 0.17 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1xkr h ALA 147 Cb 0.39 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1xkr h ALA 147 CO 0.01 0.39 0.22 0.82 0.00 0.00 0.00 179.25 180.69 1xkr h ILE 148 N 0.66 1.06 0.00 0.00 2.04 -1.12 -2.08 117.51 118.08 1xkr h ILE 148 Ca 0.14 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 1xkr h ILE 148 Cb 0.46 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1xkr h ILE 148 CO 0.02 0.08 -0.10 -0.26 0.00 0.00 0.00 178.15 177.88 1xkr h PHE 149 N 0.45 0.00 -0.09 1.37 -1.00 -1.31 -1.75 116.94 114.62 1xkr h PHE 149 Ca 0.13 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.89 1xkr h PHE 149 Cb -0.03 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.53 1xkr h PHE 149 CO -0.06 0.10 -0.04 0.00 -1.61 0.00 0.00 178.31 176.71 1xkr h ALA 150 N 1.90 0.12 -0.60 2.45 0.00 -0.77 0.43 119.26 122.78 1xkr h ALA 150 Ca -0.00 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1xkr h ALA 150 Cb 0.92 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1xkr h ALA 150 CO 0.01 -0.13 0.17 0.93 0.00 0.00 0.00 179.25 180.23 1xkr h GLU 151 N -0.19 0.95 -0.64 0.00 5.08 -1.31 -1.74 114.58 116.73 1xkr h GLU 151 Ca 0.02 -0.21 -0.09 0.00 -1.00 0.00 0.00 59.36 58.08 1xkr h GLU 151 Cb 0.47 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1xkr h GLU 151 CO 0.01 0.85 0.07 0.00 -1.00 0.00 0.00 179.01 178.95 1xkr h ALA 152 N 1.05 0.86 -0.61 3.43 0.00 -1.27 -2.23 119.26 120.49 1xkr h ALA 152 Ca 0.19 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 1xkr h ALA 152 Cb 0.32 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1xkr h ALA 152 CO -0.00 0.65 -0.00 0.77 0.00 0.00 0.00 179.25 180.67 1xkr h SER 153 N 1.00 1.06 -0.56 0.00 0.02 -0.70 -2.66 113.55 111.71 1xkr h SER 153 Ca 0.19 -0.31 -0.04 0.00 -0.84 0.00 0.00 61.79 60.79 1xkr h SER 153 Cb 0.48 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 1xkr h SER 153 CO 0.02 1.11 0.18 0.40 -1.14 0.00 0.00 176.83 177.40 1xkr h ILE 154 N 0.98 1.23 -0.88 3.27 2.04 -1.16 -1.26 117.51 121.73 1xkr h ILE 154 Ca 0.17 -0.79 -0.01 0.00 1.00 0.00 0.00 64.86 65.24 1xkr h ILE 154 Cb 0.57 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.30 1xkr h ILE 154 CO 0.03 0.29 0.53 -0.33 0.00 0.00 0.00 178.15 178.67 1xkr h GLU 155 N 0.77 1.20 0.00 2.37 4.39 -1.25 0.20 114.58 122.27 1xkr h GLU 155 Ca 0.18 -0.11 -0.05 0.00 0.34 0.00 0.00 59.36 59.72 1xkr h GLU 155 Cb 0.27 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1xkr h GLU 155 CO -0.01 0.85 -0.49 0.93 -1.16 0.00 0.00 179.01 179.13 1xkr h GLU 156 N 1.22 0.00 -0.01 2.33 4.39 -1.33 -3.36 114.58 117.81 1xkr h GLU 156 Ca 0.32 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.02 1xkr h GLU 156 Cb -0.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 1xkr h GLU 156 CO -0.06 0.18 -0.03 1.28 -1.16 0.00 0.00 179.01 179.22 1xkr n LEU 157 N -3.03 1.68 0.01 1.33 4.77 -0.49 -4.53 117.00 116.73 1xkr n LEU 157 Ca 0.01 -0.96 0.06 0.00 -0.03 0.00 0.00 56.01 55.09 1xkr n LEU 157 Cb 0.63 0.00 0.47 0.00 -2.33 0.00 0.00 43.42 42.18 1xkr n LEU 157 CO 0.38 0.33 1.16 1.05 -1.33 0.00 0.00 177.39 178.98 1xkr h GLU 158 N 1.71 0.45 0.00 3.23 4.11 -1.11 -3.31 114.58 119.66 1xkr h GLU 158 Ca 0.00 -0.03 -0.16 0.00 0.07 0.00 0.00 59.36 59.24 1xkr h GLU 158 Cb 0.38 -0.10 -0.34 0.00 0.50 0.00 0.00 28.75 29.19 1xkr h GLU 158 CO 0.00 0.30 -0.94 -0.25 0.07 0.00 0.00 179.01 178.19 1xkr n ASP 159 N -4.48 0.77 -3.52 3.06 8.00 -1.26 -5.10 116.55 114.03 1xkr n ASP 159 Ca 0.04 -1.99 -0.08 0.00 0.71 0.00 0.00 54.79 53.46 1xkr n ASP 159 Cb 0.14 -0.25 -0.02 0.00 -0.02 0.00 0.00 41.12 40.96 1xkr n ASP 159 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1xkr s ASN 160 N -1.83 -0.35 0.00 -2.24 4.22 -1.25 -5.07 114.94 108.42 1xkr s ASN 160 Ca 0.29 0.06 0.24 0.00 -2.14 0.00 0.00 52.86 51.30 1xkr s ASN 160 Cb 0.33 0.36 0.21 0.00 1.28 0.00 0.00 41.25 43.43 1xkr s ASN 160 CO -0.14 -0.56 1.26 -1.20 -2.04 0.00 0.00 177.10 174.42 1xkr n SER 161 N -0.10 2.60 -4.68 3.54 7.64 -1.26 -4.37 113.62 116.99 1xkr n SER 161 Ca -0.08 -1.82 -0.42 0.00 1.01 0.00 0.00 58.87 57.56 1xkr n SER 161 Cb 0.61 0.12 -0.03 0.00 -1.01 0.00 0.00 64.21 63.91 1xkr n SER 161 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1xkr s GLU 162 N -2.13 4.31 0.00 1.43 2.02 -1.26 -4.85 118.70 118.21 1xkr s GLU 162 Ca 0.26 1.74 0.00 0.00 0.02 0.00 0.00 54.97 56.99 1xkr s GLU 162 Cb 0.20 -3.62 0.00 0.00 0.10 0.00 0.00 34.13 30.81 1xkr s GLU 162 CO 0.38 -0.54 0.13 -0.40 0.02 0.00 0.00 175.26 174.85 1xkr n ASP 163 N 5.59 0.26 -4.72 -0.19 3.85 -1.26 -4.70 116.55 115.37 1xkr n ASP 163 Ca 0.12 -0.88 -0.42 0.00 -0.71 0.00 0.00 54.79 52.91 1xkr n ASP 163 Cb 0.45 0.04 -0.03 0.00 -1.35 0.00 0.00 41.12 40.24 1xkr n ASP 163 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.20 174.61 1xkr s GLN 164 N -0.04 4.28 0.19 0.11 2.00 -1.26 -0.10 119.66 124.83 1xkr s GLN 164 Ca 0.00 2.22 0.04 0.00 -2.00 0.00 0.00 55.36 55.62 1xkr s GLN 164 Cb 0.00 -3.19 -0.05 0.00 0.80 0.00 0.00 33.01 30.57 1xkr s GLN 164 CO 0.00 -0.49 -0.05 0.96 -0.50 0.00 0.00 175.29 175.21 1xkr s ILE 165 N 0.90 1.10 -0.37 -2.34 -4.36 -0.27 -4.57 121.20 111.27 1xkr s ILE 165 Ca 0.65 -2.05 -0.16 0.00 -0.26 0.00 0.00 60.65 58.83 1xkr s ILE 165 Cb -0.40 -2.11 0.00 0.00 1.25 0.00 0.00 42.46 41.20 1xkr s ILE 165 CO 0.33 -0.52 0.40 -0.69 0.24 0.00 0.00 174.94 174.70 1xkr s VAL 166 N -3.38 5.13 -0.15 8.37 1.01 -0.73 -2.18 120.40 128.47 1xkr s VAL 166 Ca 0.23 -0.10 -0.04 0.00 0.00 0.00 0.00 61.98 62.07 1xkr s VAL 166 Cb 0.04 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 1xkr s VAL 166 CO 0.05 -0.23 -0.00 0.12 0.00 0.00 0.00 175.10 175.03 1xkr s PHE 167 N 2.08 3.11 0.05 5.22 5.36 0.19 -0.86 117.98 133.14 1xkr s PHE 167 Ca 0.12 -0.10 0.03 0.00 -0.96 0.00 0.00 56.93 56.02 1xkr s PHE 167 Cb -0.17 -1.96 -0.03 0.00 -0.34 0.00 0.00 43.02 40.53 1xkr s PHE 167 CO 0.12 0.12 -0.10 0.08 -1.46 0.00 0.00 175.22 173.98 1xkr s VAL 168 N 0.11 0.71 -0.23 3.12 1.01 0.10 -1.65 120.40 123.58 1xkr s VAL 168 Ca 0.01 -1.15 -0.06 0.00 0.00 0.00 0.00 61.98 60.78 1xkr s VAL 168 Cb -0.13 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.48 1xkr s VAL 168 CO 0.02 -0.33 0.04 -0.70 0.00 0.00 0.00 175.10 174.13 1xkr s GLU 169 N -1.62 3.65 -0.24 2.72 2.12 -1.26 -0.74 118.70 123.32 1xkr s GLU 169 Ca -0.08 -0.49 -0.10 0.00 0.36 0.00 0.00 54.97 54.66 1xkr s GLU 169 Cb -0.10 -3.22 -0.05 0.00 0.26 0.00 0.00 34.13 31.02 1xkr s GLU 169 CO 0.01 -0.10 0.15 0.95 -0.54 0.00 0.00 175.26 175.73 1xkr s THR 170 N 1.34 5.22 -0.49 -1.70 -4.23 0.73 -4.06 115.64 112.46 1xkr s THR 170 Ca 0.05 0.13 -0.14 0.00 -1.18 0.00 0.00 61.69 60.55 1xkr s THR 170 Cb -0.15 -3.44 0.10 0.00 1.34 0.00 0.00 72.50 70.35 1xkr s THR 170 CO 0.02 0.34 0.41 -0.22 -0.54 0.00 0.00 174.62 174.63 1xkr s LEU 171 N 1.15 5.76 -0.26 4.79 2.96 0.13 -0.91 118.68 132.31 1xkr s LEU 171 Ca 0.07 -1.56 -0.15 0.00 -0.22 0.00 0.00 54.13 52.27 1xkr s LEU 171 Cb -0.14 -2.15 -0.04 0.00 0.50 0.00 0.00 46.19 44.36 1xkr s LEU 171 CO 0.05 -0.71 0.36 -0.22 -1.32 0.00 0.00 176.35 174.51 1xkr s LEU 172 N 1.57 4.06 -0.23 -0.68 0.20 0.60 -1.54 118.68 122.66 1xkr s LEU 172 Ca 0.04 0.31 0.00 0.00 0.69 0.00 0.00 54.13 55.17 1xkr s LEU 172 Cb -0.26 -2.42 0.03 0.00 -0.43 0.00 0.00 46.19 43.12 1xkr s LEU 172 CO 0.04 -0.15 -0.11 -0.75 -0.29 0.00 0.00 176.35 175.09 1xkr s LYS 173 N 1.87 2.70 -0.22 1.98 2.36 1.00 0.64 119.74 130.06 1xkr s LYS 173 Ca 0.15 -1.05 -0.13 0.00 -2.55 0.00 0.00 55.97 52.39 1xkr s LYS 173 Cb -0.15 -2.85 -0.04 0.00 -1.05 0.00 0.00 37.83 33.73 1xkr s LYS 173 CO 0.09 -0.40 0.28 0.08 1.55 0.00 0.00 175.35 176.95 1xkr s VAL 174 N 1.25 5.28 0.16 4.02 1.01 -1.26 -1.43 120.40 129.43 1xkr s VAL 174 Ca -0.01 0.45 -0.17 0.00 0.00 0.00 0.00 61.98 62.25 1xkr s VAL 174 Cb -0.17 -3.62 0.08 0.00 0.00 0.00 0.00 36.38 32.68 1xkr s VAL 174 CO -0.07 0.30 1.67 -0.33 0.00 0.00 0.00 175.10 176.67 1xkr h GLU 175 N 7.38 -0.01 0.00 2.72 5.08 -1.87 -0.41 114.58 127.47 1xkr h GLU 175 Ca -0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 1xkr h GLU 175 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1xkr h GLU 175 CO 0.69 -0.01 0.00 -0.85 -1.00 0.00 0.00 179.01 177.85 1xkr n GLU 176 N -5.30 0.91 -4.02 2.33 0.28 -1.26 -4.80 120.64 108.77 1xkr n GLU 176 Ca 0.02 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.70 1xkr n GLU 176 Cb 0.22 -1.15 -0.06 0.00 1.43 0.00 0.00 31.44 31.88 1xkr n GLU 176 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1xkr s GLU 177 N -2.00 3.14 0.00 3.44 2.56 -0.16 -5.10 118.70 120.57 1xkr s GLU 177 Ca 0.13 -0.51 0.00 0.00 0.00 0.00 0.00 54.97 54.59 1xkr s GLU 177 Cb 0.06 -2.89 0.00 0.00 2.00 0.00 0.00 34.13 33.30 1xkr s GLU 177 CO 0.10 0.62 0.00 -1.91 -0.56 0.00 0.00 175.26 173.51 1xkr n GLU 178 N 0.80 0.00 -3.75 4.30 2.13 -1.26 -4.75 120.64 118.11 1xkr n GLU 178 Ca -0.10 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.52 1xkr n GLU 178 Cb 0.52 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.21 1xkr n GLU 178 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1xkr s GLU 179 N 0.00 3.20 0.24 5.31 0.41 -1.26 -5.03 118.70 121.58 1xkr s GLU 179 Ca 0.00 -0.93 -0.30 0.00 -0.41 0.00 0.00 54.97 53.33 1xkr s GLU 179 Cb 0.00 -2.80 -0.09 0.00 -1.78 0.00 0.00 34.13 29.46 1xkr s GLU 179 CO 0.00 0.24 1.31 -1.25 -0.49 0.00 0.00 175.26 175.07 1xkr s PRO 180 N -4.05 4.39 -0.05 0.39 0.04 -1.26 -4.84 135.00 129.61 1xkr s PRO 180 Ca 0.39 2.10 -0.30 0.00 0.04 0.00 0.00 61.00 63.23 1xkr s PRO 180 Cb -0.09 -3.15 -0.03 0.00 0.04 0.00 0.00 34.50 31.27 1xkr s PRO 180 CO 0.29 -0.21 1.13 -0.51 0.04 0.00 0.00 177.00 177.74 1xkr s LEU 181 N -0.67 4.29 -0.25 -3.56 1.43 0.21 -4.79 118.68 115.33 1xkr s LEU 181 Ca 0.54 1.75 -0.11 0.00 -1.03 0.00 0.00 54.13 55.28 1xkr s LEU 181 Cb -0.37 -3.56 -0.05 0.00 0.03 0.00 0.00 46.19 42.23 1xkr s LEU 181 CO 0.43 -0.51 0.17 -0.89 0.23 0.00 0.00 176.35 175.78 1xkr s THR 182 N 1.93 5.34 0.40 5.49 2.01 -1.26 -0.29 115.64 129.26 1xkr s THR 182 Ca 0.54 0.19 0.04 0.00 0.31 0.00 0.00 61.69 62.77 1xkr s THR 182 Cb -0.23 -3.51 -0.05 0.00 0.01 0.00 0.00 72.50 68.71 1xkr s THR 182 CO 0.22 0.32 0.04 -0.44 -0.69 0.00 0.00 174.62 174.07 1xkr s SER 183 N 1.23 3.25 0.00 3.53 0.01 -0.09 -4.69 113.70 116.94 1xkr s SER 183 Ca 0.08 -1.48 0.05 0.00 1.31 0.00 0.00 55.95 55.91 1xkr s SER 183 Cb -0.14 0.05 -0.02 0.00 0.21 0.00 0.00 66.02 66.12 1xkr s SER 183 CO 0.06 -0.67 -0.16 -0.31 0.41 0.00 0.00 173.24 172.57 1xkr s TYR 184 N -3.02 1.45 0.04 2.43 1.51 -0.59 -0.19 117.35 118.98 1xkr s TYR 184 Ca 0.28 -0.30 0.03 0.00 -1.01 0.00 0.00 57.07 56.07 1xkr s TYR 184 Cb 0.07 -0.91 -0.02 0.00 -0.11 0.00 0.00 41.96 40.98 1xkr s TYR 184 CO 0.13 0.00 -0.10 -1.64 -1.11 0.00 0.00 175.55 172.84 1xkr s MET 185 N -0.61 0.62 -0.08 -0.62 -1.94 0.08 -0.24 119.30 116.50 1xkr s MET 185 Ca 0.06 -0.75 -0.18 0.00 -1.71 0.00 0.00 55.69 53.11 1xkr s MET 185 Cb -0.07 -0.48 0.04 0.00 2.01 0.00 0.00 34.83 36.33 1xkr s MET 185 CO 0.00 0.10 0.42 0.00 -0.01 0.00 0.00 175.02 175.53 1xkr s MET 186 N -1.45 0.67 -0.36 2.03 0.23 -0.35 0.02 119.30 120.09 1xkr s MET 186 Ca -0.06 0.20 -0.11 0.00 -1.03 0.00 0.00 55.69 54.69 1xkr s MET 186 Cb -0.09 0.31 0.02 0.00 -1.53 0.00 0.00 34.83 33.54 1xkr s MET 186 CO 0.01 -0.16 0.20 1.41 -2.03 0.00 0.00 175.02 174.45 1xkr s MET 187 N -0.69 2.95 -0.63 3.16 1.75 -0.04 -0.86 119.30 124.94 1xkr s MET 187 Ca -0.08 -1.00 -0.13 0.00 -1.25 0.00 0.00 55.69 53.24 1xkr s MET 187 Cb -0.04 -3.71 0.16 0.00 2.84 0.00 0.00 34.83 34.09 1xkr s MET 187 CO 0.04 -0.64 0.55 0.42 -0.65 0.00 0.00 175.02 174.74 1xkr s ILE 188 N 1.57 4.98 0.34 10.11 1.01 0.90 -1.78 121.20 138.33 1xkr s ILE 188 Ca 0.03 -2.01 -0.15 0.00 0.00 0.00 0.00 60.65 58.51 1xkr s ILE 188 Cb -0.19 -4.17 -0.09 0.00 0.01 0.00 0.00 42.46 38.02 1xkr s ILE 188 CO 0.07 -0.90 0.76 -2.16 0.00 0.00 0.00 174.94 172.70 1xkr s PRO 189 N 0.93 4.00 0.84 2.79 0.04 -1.26 -1.32 135.00 141.03 1xkr s PRO 189 Ca 0.10 0.69 -0.12 0.00 0.04 0.00 0.00 61.00 61.71 1xkr s PRO 189 Cb -0.22 -2.40 0.10 0.00 0.04 0.00 0.00 34.50 32.02 1xkr s PRO 189 CO -0.02 0.12 1.11 0.15 0.04 0.00 0.00 177.00 178.40 1xkr s LYS 190 N -3.08 1.69 0.15 4.56 -0.14 -0.12 -4.90 119.74 117.90 1xkr s LYS 190 Ca 0.55 0.50 -0.34 0.00 -1.36 0.00 0.00 55.97 55.32 1xkr s LYS 190 Cb -0.10 -1.88 -0.15 0.00 -1.68 0.00 0.00 37.83 34.01 1xkr s LYS 190 CO 0.18 -1.86 1.32 -0.35 -0.76 0.00 0.00 175.35 173.88 1xkr n PRO 191 N -3.57 1.43 0.00 -1.68 -0.04 -1.26 -2.23 135.00 127.65 1xkr n PRO 191 Ca 0.07 0.51 0.00 0.00 -0.04 0.00 0.00 63.50 64.04 1xkr n PRO 191 Cb 0.57 -2.13 0.00 0.00 -0.04 0.00 0.00 33.50 31.91 1xkr n PRO 191 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xkr n GLY 192 N 2.42 2.77 0.11 0.55 0.00 -1.26 -4.89 105.19 104.89 1xkr n GLY 192 Ca 0.16 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.16 1xkr n GLY 192 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1xkr h TYR 193 N 0.00 0.00 -0.52 1.61 0.05 -1.80 -2.66 116.97 113.65 1xkr h TYR 193 Ca 0.00 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.66 1xkr h TYR 193 Cb 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.72 1xkr h TYR 193 CO 0.00 0.72 -0.15 1.25 -1.05 0.00 0.00 178.16 178.93 1xkr h LEU 194 N 0.00 1.03 -0.85 3.88 5.85 -1.90 -1.29 115.31 122.03 1xkr h LEU 194 Ca -0.01 -0.37 -0.03 0.00 0.84 0.00 0.00 57.88 58.32 1xkr h LEU 194 Cb 1.36 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 42.07 1xkr h LEU 194 CO 0.09 1.16 0.43 0.58 -0.34 0.00 0.00 178.44 180.36 1xkr h VAL 195 N 0.89 1.26 -0.78 1.05 2.07 -1.94 -2.00 116.25 116.80 1xkr h VAL 195 Ca 0.13 -0.69 -0.05 0.00 0.82 0.00 0.00 66.70 66.91 1xkr h VAL 195 Cb 0.72 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 1xkr h VAL 195 CO 0.06 0.30 0.31 0.11 0.02 0.00 0.00 177.57 178.36 1xkr h LYS 196 N 1.20 1.16 -0.29 1.57 1.57 -1.13 -0.99 116.57 119.66 1xkr h LYS 196 Ca 0.29 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1xkr h LYS 196 Cb 0.09 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1xkr h LYS 196 CO -0.04 0.94 0.14 0.82 -0.57 0.00 0.00 179.45 180.75 1xkr h ILE 197 N 1.13 1.14 -0.10 1.86 2.04 -0.78 -2.71 117.51 120.09 1xkr h ILE 197 Ca 0.26 -0.40 -0.10 0.00 1.00 0.00 0.00 64.86 65.63 1xkr h ILE 197 Cb 0.22 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1xkr h ILE 197 CO -0.02 0.14 -0.37 -0.26 0.00 0.00 0.00 178.15 177.64 1xkr h PHE 198 N 0.33 0.25 -0.80 1.37 0.05 -1.15 -2.97 116.94 114.01 1xkr h PHE 198 Ca 0.10 -0.06 0.04 0.00 3.82 0.00 0.00 57.97 61.87 1xkr h PHE 198 Cb 0.10 -0.06 -0.05 0.00 2.00 0.00 0.00 35.95 37.95 1xkr h PHE 198 CO -0.02 0.56 0.52 1.49 -0.18 0.00 0.00 178.31 180.68 1xkr h GLU 199 N 0.18 0.92 0.00 1.51 4.81 -0.87 -1.22 114.58 119.92 1xkr h GLU 199 Ca 0.02 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1xkr h GLU 199 Cb 0.74 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.92 1xkr h GLU 199 CO 0.06 0.61 0.00 0.54 -0.73 0.00 0.00 179.01 179.48 1xkr n ARG 200 N -4.46 0.04 0.00 1.92 5.12 -1.12 -2.43 116.66 115.72 1xkr n ARG 200 Ca 0.11 0.34 0.15 0.00 -1.93 0.00 0.00 57.85 56.52 1xkr n ARG 200 Cb 0.15 -1.58 0.78 0.00 -1.16 0.00 0.00 32.46 30.65 1xkr n ARG 200 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 1xkr n MET 201 N -1.65 1.24 0.00 5.56 2.81 -0.46 -5.01 117.12 119.61 1xkr n MET 201 Ca 0.02 -0.37 0.00 0.00 -1.81 0.00 0.00 57.70 55.55 1xkr n MET 201 Cb 0.14 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.16 1xkr n MET 201 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1xkr n GLY 202 N 1.07 1.20 0.21 3.03 0.00 -1.02 -4.78 105.19 104.91 1xkr n GLY 202 Ca 0.22 -2.03 0.11 0.00 0.00 0.00 0.00 46.02 44.32 1xkr n GLY 202 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1xkr h ILE 203 N 0.00 0.22 0.00 -0.61 3.07 -1.95 -3.47 117.51 114.76 1xkr h ILE 203 Ca 0.00 -1.20 0.00 0.00 1.55 0.00 0.00 64.86 65.21 1xkr h ILE 203 Cb 0.00 2.01 0.00 0.00 -0.27 0.00 0.00 36.82 38.56 1xkr h ILE 203 CO 0.00 0.12 0.00 0.00 -1.05 0.00 0.00 178.15 177.22