#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i1n s LYS 3 N 0.00 2.22 0.04 -2.67 2.20 -1.26 -5.00 119.74 115.28 1i1n s LYS 3 Ca 0.00 -0.58 -0.00 0.00 -0.36 0.00 0.00 55.97 55.03 1i1n s LYS 3 Cb 0.00 -1.83 -0.00 0.00 -1.51 0.00 0.00 37.83 34.48 1i1n s LYS 3 CO 0.00 -0.00 -0.01 -1.13 -0.36 0.00 0.00 175.35 173.85 1i1n n SER 4 N 3.99 0.58 -4.74 1.43 3.41 -1.26 -4.89 113.62 112.15 1i1n n SER 4 Ca -0.20 0.08 -0.31 0.00 -0.26 0.00 0.00 58.87 58.17 1i1n n SER 4 Cb 0.52 -0.18 0.11 0.00 -0.26 0.00 0.00 64.21 64.40 1i1n n SER 4 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1i1n s GLY 5 N -4.53 1.69 0.35 5.00 0.00 -1.26 -4.56 107.32 104.01 1i1n s GLY 5 Ca -0.01 0.37 0.07 0.00 0.00 0.00 0.00 44.72 45.15 1i1n s GLY 5 CO 0.01 0.73 0.27 -0.32 0.00 0.00 0.00 173.10 173.80 1i1n s GLY 6 N -3.17 2.45 0.00 0.20 0.00 -0.32 -4.77 107.32 101.70 1i1n s GLY 6 Ca 0.63 -1.98 0.25 0.00 0.00 0.00 0.00 44.72 43.62 1i1n s GLY 6 CO 0.56 -1.52 1.42 0.00 0.00 0.00 0.00 173.10 173.56 1i1n n ALA 7 N -0.69 2.95 -2.81 3.20 0.00 -1.26 -4.52 120.51 117.38 1i1n n ALA 7 Ca 0.06 -0.54 -0.10 0.00 0.00 0.00 0.00 53.44 52.87 1i1n n ALA 7 Cb 0.62 -0.98 -0.06 0.00 0.00 0.00 0.00 19.45 19.02 1i1n n ALA 7 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1i1n s SER 8 N -2.27 -0.00 0.15 0.00 1.04 -1.26 -5.02 113.70 106.33 1i1n s SER 8 Ca 0.27 -0.82 -0.14 0.00 0.48 0.00 0.00 55.95 55.74 1i1n s SER 8 Cb 0.20 0.46 0.03 0.00 0.10 0.00 0.00 66.02 66.80 1i1n s SER 8 CO 0.44 -0.92 1.69 -0.74 0.98 0.00 0.00 173.24 174.69 1i1n h HIS 9 N 2.49 0.74 -0.60 5.02 -0.00 -1.94 -2.35 115.15 118.51 1i1n h HIS 9 Ca -0.31 -0.06 0.03 0.00 -0.00 0.00 0.00 60.37 60.02 1i1n h HIS 9 Cb 1.23 -0.22 -0.04 0.00 -0.00 0.00 0.00 27.41 28.39 1i1n h HIS 9 CO 0.39 0.63 0.37 1.03 -0.00 0.00 0.00 177.93 180.35 1i1n h SER 10 N 0.63 0.60 -0.18 3.26 0.87 -1.97 -1.41 113.55 115.36 1i1n h SER 10 Ca 0.16 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1i1n h SER 10 Cb 0.22 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 1i1n h SER 10 CO -0.01 0.42 0.11 -0.08 -0.53 0.00 0.00 176.83 176.74 1i1n h GLU 11 N 0.73 0.23 0.03 2.24 4.81 -1.92 -0.12 114.58 120.57 1i1n h GLU 11 Ca 0.24 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.48 1i1n h GLU 11 Cb 0.01 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.30 1i1n h GLU 11 CO -0.10 0.15 -0.24 1.25 -0.73 0.00 0.00 179.01 179.34 1i1n h LEU 12 N 0.23 -0.69 -0.88 1.64 5.85 -1.06 0.25 115.31 120.65 1i1n h LEU 12 Ca 0.07 0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.82 1i1n h LEU 12 Cb -0.02 0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 1i1n h LEU 12 CO -0.02 -0.31 0.18 0.40 -0.34 0.00 0.00 178.44 178.34 1i1n h ILE 13 N -0.39 1.25 -0.39 4.05 1.08 -1.13 -1.59 117.51 120.39 1i1n h ILE 13 Ca 0.05 -0.88 -0.09 0.00 -0.39 0.00 0.00 64.86 63.56 1i1n h ILE 13 Cb 0.46 0.56 -0.02 0.00 -3.07 0.00 0.00 36.82 34.75 1i1n h ILE 13 CO -0.19 0.34 -0.11 0.45 -0.69 0.00 0.00 178.15 177.94 1i1n h HIS 14 N 0.96 0.75 -0.69 1.37 3.86 -0.72 -2.22 115.15 118.46 1i1n h HIS 14 Ca 0.21 -0.13 -0.07 0.00 -1.16 0.00 0.00 60.37 59.22 1i1n h HIS 14 Cb 0.31 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 28.56 1i1n h HIS 14 CO 0.02 0.77 0.16 -0.91 0.86 0.00 0.00 177.93 178.83 1i1n h ASN 15 N 0.63 1.05 -0.74 2.45 2.35 -0.46 -1.01 115.58 119.85 1i1n h ASN 15 Ca 0.11 -0.24 -0.01 0.00 -0.55 0.00 0.00 56.30 55.61 1i1n h ASN 15 Cb 0.56 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.61 1i1n h ASN 15 CO 0.03 1.01 0.42 -0.07 -1.65 0.00 0.00 177.43 177.18 1i1n h LEU 16 N 1.03 0.93 -0.17 1.61 3.38 -0.91 -1.13 115.31 120.05 1i1n h LEU 16 Ca 0.21 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 1i1n h LEU 16 Cb 0.38 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1i1n h LEU 16 CO 0.00 0.74 -0.30 -0.09 0.09 0.00 0.00 178.44 178.89 1i1n h ARG 17 N 1.05 0.49 0.00 1.13 2.43 -1.00 0.48 114.38 118.96 1i1n h ARG 17 Ca 0.27 -0.31 -0.04 0.00 -0.81 0.00 0.00 59.98 59.09 1i1n h ARG 17 Cb 0.01 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1i1n h ARG 17 CO -0.05 0.91 -0.17 1.57 -1.51 0.00 0.00 179.97 180.72 1i1n h LYS 18 N 0.13 0.00 -0.16 0.20 2.10 -0.94 -1.86 116.57 116.03 1i1n h LYS 18 Ca 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 1i1n h LYS 18 Cb 0.88 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.21 1i1n h LYS 18 CO 0.07 0.17 0.00 0.09 -2.00 0.00 0.00 179.45 177.78 1i1n n ASN 19 N -4.33 1.32 -0.01 7.07 3.02 -0.45 -4.92 115.26 116.97 1i1n n ASN 19 Ca -0.02 -1.72 -0.00 0.00 -0.03 0.00 0.00 54.58 52.80 1i1n n ASN 19 Cb 0.24 -0.10 -0.00 0.00 -0.61 0.00 0.00 39.78 39.30 1i1n n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1i1n n GLY 20 N 1.03 0.46 0.18 7.41 0.00 -0.70 -4.92 105.19 108.65 1i1n n GLY 20 Ca 0.14 -0.09 -0.19 0.00 0.00 0.00 0.00 46.02 45.88 1i1n n GLY 20 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1i1n h ILE 21 N 0.00 1.33 -3.53 -0.61 1.08 -1.12 -3.42 117.51 111.25 1i1n h ILE 21 Ca -0.00 -2.19 -0.61 0.00 -0.39 0.00 0.00 64.86 61.66 1i1n h ILE 21 Cb 0.09 2.46 -0.13 0.00 -3.07 0.00 0.00 36.82 36.17 1i1n h ILE 21 CO 0.00 0.67 -0.42 -0.63 -0.69 0.00 0.00 178.15 177.08 1i1n s ILE 22 N -3.27 5.32 -0.10 -0.67 1.01 -1.07 -4.66 121.20 117.76 1i1n s ILE 22 Ca -0.11 0.32 0.12 0.00 0.00 0.00 0.00 60.65 60.99 1i1n s ILE 22 Cb 0.06 -3.56 -0.17 0.00 0.01 0.00 0.00 42.46 38.79 1i1n s ILE 22 CO 0.89 0.33 0.11 0.29 0.00 0.00 0.00 174.94 176.56 1i1n n LYS 23 N 4.27 1.53 -4.22 2.79 5.02 -1.26 -4.62 118.16 121.67 1i1n n LYS 23 Ca -0.13 -0.04 -0.28 0.00 -2.02 0.00 0.00 58.31 55.84 1i1n n LYS 23 Cb 0.52 -1.33 -0.09 0.00 -0.02 0.00 0.00 35.03 34.11 1i1n n LYS 23 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1i1n s THR 24 N -2.47 3.54 0.21 -0.18 -4.23 -1.26 -5.03 115.64 106.22 1i1n s THR 24 Ca -0.06 -1.37 -0.08 0.00 -1.18 0.00 0.00 61.69 59.00 1i1n s THR 24 Cb 0.05 -2.72 0.15 0.00 1.34 0.00 0.00 72.50 71.32 1i1n s THR 24 CO 0.54 -0.01 1.77 0.44 -0.54 0.00 0.00 174.62 176.81 1i1n h ASP 25 N 3.11 1.10 -0.16 3.99 3.32 -1.99 -1.39 116.42 124.42 1i1n h ASP 25 Ca -0.48 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.39 1i1n h ASP 25 Cb 1.19 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 40.44 1i1n h ASP 25 CO 0.56 0.99 0.10 0.50 -1.72 0.00 0.00 179.24 179.67 1i1n h LYS 26 N 1.15 0.21 -0.41 3.56 3.64 -1.99 -0.03 116.57 122.69 1i1n h LYS 26 Ca 0.26 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.54 1i1n h LYS 26 Cb 0.25 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 1i1n h LYS 26 CO -0.02 0.15 -0.07 0.28 -2.27 0.00 0.00 179.45 177.52 1i1n h VAL 27 N 0.21 1.24 -0.27 2.00 2.07 -1.93 -1.10 116.25 118.47 1i1n h VAL 27 Ca 0.06 -1.06 0.00 0.00 0.82 0.00 0.00 66.70 66.52 1i1n h VAL 27 Cb -0.02 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1i1n h VAL 27 CO -0.01 0.36 0.18 0.15 0.02 0.00 0.00 177.57 178.27 1i1n h PHE 28 N 0.65 0.34 -0.58 1.57 3.57 -0.75 -0.93 116.94 120.81 1i1n h PHE 28 Ca 0.12 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.56 1i1n h PHE 28 Cb 0.51 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 1i1n h PHE 28 CO 0.02 0.22 0.10 0.93 -2.23 0.00 0.00 178.31 177.35 1i1n h GLU 29 N 0.36 0.96 -0.33 1.11 4.39 -0.72 -1.16 114.58 119.19 1i1n h GLU 29 Ca 0.10 -0.26 -0.01 0.00 0.34 0.00 0.00 59.36 59.53 1i1n h GLU 29 Cb -0.04 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.48 1i1n h GLU 29 CO -0.02 0.91 0.18 0.28 -1.16 0.00 0.00 179.01 179.20 1i1n h VAL 30 N 0.86 1.14 -0.44 3.13 2.07 -0.97 -0.94 116.25 121.11 1i1n h VAL 30 Ca 0.18 -0.39 -0.11 0.00 0.82 0.00 0.00 66.70 67.19 1i1n h VAL 30 Cb 0.41 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1i1n h VAL 30 CO 0.01 0.15 -0.18 0.24 0.02 0.00 0.00 177.57 177.81 1i1n h MET 31 N 0.41 0.85 -0.26 1.57 2.86 -1.09 -2.58 114.93 116.69 1i1n h MET 31 Ca 0.12 -0.33 -0.05 0.00 -2.06 0.00 0.00 59.70 57.38 1i1n h MET 31 Cb 0.08 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 1i1n h MET 31 CO -0.02 0.96 -0.06 1.25 1.06 0.00 0.00 176.91 180.10 1i1n h LEU 32 N 0.75 0.39 -0.11 1.22 5.85 -1.00 -2.37 115.31 120.02 1i1n h LEU 32 Ca 0.11 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1i1n h LEU 32 Cb 0.70 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.63 1i1n h LEU 32 CO 0.05 0.50 -0.05 0.00 -0.34 0.00 0.00 178.44 178.60 1i1n n ALA 33 N -2.48 2.64 -3.80 1.25 0.00 -0.38 -4.43 120.51 113.31 1i1n n ALA 33 Ca 0.01 -0.21 -0.32 0.00 0.00 0.00 0.00 53.44 52.92 1i1n n ALA 33 Cb 0.26 -1.42 -0.10 0.00 0.00 0.00 0.00 19.45 18.19 1i1n n ALA 33 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1i1n s THR 34 N -2.47 3.45 0.07 0.00 2.01 -0.89 -5.07 115.64 112.73 1i1n s THR 34 Ca 0.30 -3.85 -0.31 0.00 0.31 0.00 0.00 61.69 58.15 1i1n s THR 34 Cb 0.20 -3.22 -0.09 0.00 0.01 0.00 0.00 72.50 69.40 1i1n s THR 34 CO 0.46 -0.99 1.81 -0.62 -0.69 0.00 0.00 174.62 174.59 1i1n s ASP 35 N -0.60 6.50 0.40 3.53 -1.08 -1.26 -4.88 116.67 119.28 1i1n s ASP 35 Ca 0.24 2.62 0.29 0.00 -0.52 0.00 0.00 52.55 55.17 1i1n s ASP 35 Cb -0.10 -2.55 1.37 0.00 -1.46 0.00 0.00 42.92 40.17 1i1n s ASP 35 CO -0.11 -0.98 1.86 0.03 0.52 0.00 0.00 175.17 176.49 1i1n h ARG 36 N 9.17 0.00 0.00 4.34 3.08 -1.91 -2.69 114.38 126.37 1i1n h ARG 36 Ca -0.45 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.59 1i1n h ARG 36 Cb 1.22 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.26 1i1n h ARG 36 CO 0.94 0.00 -0.04 0.66 -1.07 0.00 0.00 179.97 180.46 1i1n h SER 37 N 0.00 0.00 1.38 7.04 4.64 -1.86 0.17 113.55 124.93 1i1n h SER 37 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1i1n h SER 37 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1i1n h SER 37 CO 0.00 0.04 -0.16 0.45 -0.87 0.00 0.00 176.83 176.30 1i1n h HIS 38 N 0.00 0.00 0.00 4.77 3.86 -1.84 -3.36 115.15 118.58 1i1n h HIS 38 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1i1n h HIS 38 Cb 0.13 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.60 1i1n h HIS 38 CO 0.00 0.00 -0.46 0.66 0.86 0.00 0.00 177.93 178.99 1i1n n TYR 39 N -2.32 0.00 -3.88 2.45 4.02 -0.25 -4.57 117.16 112.61 1i1n n TYR 39 Ca 0.05 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.68 1i1n n TYR 39 Cb 0.44 -0.02 -0.17 0.00 -0.02 0.00 0.00 39.34 39.57 1i1n n TYR 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1i1n s ALA 40 N -1.58 1.23 0.21 -0.72 0.00 0.43 -4.88 121.76 116.46 1i1n s ALA 40 Ca 0.00 -0.48 -0.03 0.00 0.00 0.00 0.00 51.96 51.45 1i1n s ALA 40 Cb 0.02 -0.89 0.19 0.00 0.00 0.00 0.00 23.12 22.44 1i1n s ALA 40 CO 0.12 -0.43 1.60 0.87 0.00 0.00 0.00 175.76 177.92 1i1n h LYS 41 N 8.20 0.67 -6.55 0.00 1.57 -1.86 -3.41 116.57 115.19 1i1n h LYS 41 Ca -0.28 -0.31 -0.67 0.00 -1.87 0.00 0.00 60.65 57.52 1i1n h LYS 41 Cb 1.13 -0.01 -0.27 0.00 0.08 0.00 0.00 32.23 33.16 1i1n h LYS 41 CO 0.38 0.91 -0.87 0.00 -0.57 0.00 0.00 179.45 179.30 1i1n n ASN 43 N 1.95 -2.42 0.27 0.00 3.02 -1.26 -4.85 115.26 111.98 1i1n n ASN 43 Ca -0.17 -1.25 0.13 0.00 -0.03 0.00 0.00 54.58 53.27 1i1n n ASN 43 Cb 0.52 -1.90 0.77 0.00 -0.61 0.00 0.00 39.78 38.56 1i1n n ASN 43 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1i1n h PRO 44 N -2.27 0.00 -0.59 3.52 0.13 -1.87 -2.96 132.00 127.95 1i1n h PRO 44 Ca -0.69 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.44 1i1n h PRO 44 Cb 1.40 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.53 1i1n h PRO 44 CO 0.58 0.09 0.00 0.66 -0.23 0.00 0.00 178.00 179.10 1i1n n TYR 45 N -3.69 1.19 -2.99 1.56 4.01 -1.26 -4.74 117.16 111.23 1i1n n TYR 45 Ca -0.02 -0.59 -0.39 0.00 -0.16 0.00 0.00 57.90 56.73 1i1n n TYR 45 Cb 0.20 -0.17 -0.06 0.00 -0.31 0.00 0.00 39.34 39.01 1i1n n TYR 45 CO 0.00 0.00 0.00 1.41 -0.46 0.00 0.00 176.86 177.81 1i1n s MET 46 N -1.62 4.55 -1.40 -0.72 1.75 -1.12 -1.17 119.30 119.57 1i1n s MET 46 Ca 0.46 1.14 -0.08 0.00 -1.25 0.00 0.00 55.69 55.95 1i1n s MET 46 Cb 0.28 -3.28 0.08 0.00 2.84 0.00 0.00 34.83 34.75 1i1n s MET 46 CO 0.24 0.53 2.36 -3.47 -0.65 0.00 0.00 175.02 174.03 1i1n n ASP 47 N 1.78 6.96 -3.59 1.11 2.03 -1.26 -4.66 116.55 118.91 1i1n n ASP 47 Ca -0.05 -2.97 -0.10 0.00 0.52 0.00 0.00 54.79 52.18 1i1n n ASP 47 Cb 0.49 -1.47 -0.02 0.00 -0.72 0.00 0.00 41.12 39.40 1i1n n ASP 47 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1i1n s SER 48 N 1.22 -0.45 0.53 1.67 1.04 -1.26 -4.78 113.70 111.67 1i1n s SER 48 Ca 0.53 -0.24 -0.21 0.00 0.48 0.00 0.00 55.95 56.51 1i1n s SER 48 Cb 0.16 0.65 -0.05 0.00 0.10 0.00 0.00 66.02 66.87 1i1n s SER 48 CO -0.06 -1.12 1.21 -2.84 0.98 0.00 0.00 173.24 171.41 1i1n s PRO 49 N -3.82 3.33 0.03 4.02 0.02 -1.26 -4.26 135.00 133.06 1i1n s PRO 49 Ca 0.05 1.84 0.05 0.00 0.02 0.00 0.00 61.00 62.96 1i1n s PRO 49 Cb -0.03 -2.16 -0.02 0.00 0.02 0.00 0.00 34.50 32.31 1i1n s PRO 49 CO -0.05 -0.92 -0.14 -0.65 -0.33 0.00 0.00 177.00 174.90 1i1n s GLN 50 N -3.03 1.02 0.34 5.54 -1.52 -0.83 -4.94 119.66 116.22 1i1n s GLN 50 Ca 0.71 -0.70 -0.28 0.00 -1.95 0.00 0.00 55.36 53.14 1i1n s GLN 50 Cb -0.30 -1.02 -0.10 0.00 -0.22 0.00 0.00 33.01 31.37 1i1n s GLN 50 CO 0.35 0.26 1.27 0.45 -0.25 0.00 0.00 175.29 177.37 1i1n s SER 51 N -0.92 6.78 -0.07 5.90 0.15 -1.26 -0.49 113.70 123.79 1i1n s SER 51 Ca 0.03 2.60 0.10 0.00 0.70 0.00 0.00 55.95 59.39 1i1n s SER 51 Cb -0.07 -2.64 0.16 0.00 -1.71 0.00 0.00 66.02 61.75 1i1n s SER 51 CO 0.01 -0.52 1.05 2.30 1.20 0.00 0.00 173.24 177.28 1i1n n ILE 52 N 0.74 1.24 0.00 6.45 -5.35 -0.84 -4.78 119.36 116.82 1i1n n ILE 52 Ca 0.00 -1.45 0.00 0.00 -0.27 0.00 0.00 62.75 61.03 1i1n n ILE 52 Cb 0.43 0.13 0.00 0.00 -1.74 0.00 0.00 39.64 38.46 1i1n n ILE 52 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1i1n n GLY 53 N -0.89 -1.44 2.41 3.28 0.00 -1.24 -4.87 105.19 102.43 1i1n n GLY 53 Ca 0.09 -1.56 -0.18 0.00 0.00 0.00 0.00 46.02 44.37 1i1n n GLY 53 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1i1n n PHE 54 N -1.64 -1.11 -2.14 1.61 3.72 -1.26 -0.96 117.46 115.68 1i1n n PHE 54 Ca 0.00 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.20 1i1n n PHE 54 Cb 0.00 -3.49 -0.03 0.00 -0.94 0.00 0.00 39.48 35.02 1i1n n PHE 54 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1i1n n GLN 55 N -2.89 -1.51 -4.37 -1.08 6.02 -1.26 -4.67 117.38 107.62 1i1n n GLN 55 Ca -0.21 1.02 -0.24 0.00 -0.01 0.00 0.00 57.00 57.56 1i1n n GLN 55 Cb 0.65 -5.54 -0.09 0.00 1.02 0.00 0.00 30.24 26.29 1i1n n GLN 55 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1i1n s ALA 56 N -2.91 3.10 -0.01 -1.58 0.00 -0.14 -5.02 121.76 115.20 1i1n s ALA 56 Ca 0.00 -1.90 -0.07 0.00 0.00 0.00 0.00 51.96 49.99 1i1n s ALA 56 Cb 0.00 -0.40 0.01 0.00 0.00 0.00 0.00 23.12 22.73 1i1n s ALA 56 CO 0.00 0.14 0.14 0.95 0.00 0.00 0.00 175.76 176.99 1i1n s THR 57 N -2.49 0.06 -0.04 0.00 -4.23 -1.26 -1.98 115.64 105.71 1i1n s THR 57 Ca 0.33 -0.51 -0.30 0.00 -1.18 0.00 0.00 61.69 60.03 1i1n s THR 57 Cb -0.02 -0.38 -0.02 0.00 1.34 0.00 0.00 72.50 73.41 1i1n s THR 57 CO 0.18 -0.28 1.01 -0.51 -0.54 0.00 0.00 174.62 174.48 1i1n s ILE 58 N -1.01 4.78 0.92 2.99 2.07 0.36 -4.86 121.20 126.46 1i1n s ILE 58 Ca -0.11 2.01 -0.11 0.00 -1.41 0.00 0.00 60.65 61.04 1i1n s ILE 58 Cb -0.06 -4.29 0.15 0.00 0.13 0.00 0.00 42.46 38.39 1i1n s ILE 58 CO 0.01 0.10 1.12 -0.44 -1.91 0.00 0.00 174.94 173.82 1i1n s SER 59 N 1.06 2.95 0.53 4.50 0.01 -1.26 -1.97 113.70 119.52 1i1n s SER 59 Ca 0.51 1.98 -0.21 0.00 1.31 0.00 0.00 55.95 59.54 1i1n s SER 59 Cb -0.21 -2.50 -0.05 0.00 0.21 0.00 0.00 66.02 63.48 1i1n s SER 59 CO 0.24 -3.05 1.24 0.00 0.41 0.00 0.00 173.24 172.09 1i1n s ALA 60 N -2.69 2.79 0.29 1.44 0.00 -1.26 -4.62 121.76 117.71 1i1n s ALA 60 Ca 0.66 1.09 0.03 0.00 0.00 0.00 0.00 51.96 53.75 1i1n s ALA 60 Cb -0.22 -3.47 0.70 0.00 0.00 0.00 0.00 23.12 20.13 1i1n s ALA 60 CO 0.58 -1.06 1.72 -1.35 0.00 0.00 0.00 175.76 175.66 1i1n h PRO 61 N 1.48 0.50 0.00 0.00 0.11 -1.83 -0.72 132.00 131.54 1i1n h PRO 61 Ca -0.50 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.56 1i1n h PRO 61 Cb 1.28 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1i1n h PRO 61 CO 0.58 0.33 -0.11 1.12 -0.21 0.00 0.00 178.00 179.71 1i1n h HIS 62 N 0.51 0.00 -0.04 0.65 2.07 -1.90 -1.50 115.15 114.94 1i1n h HIS 62 Ca 0.55 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.92 1i1n h HIS 62 Cb 0.96 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.93 1i1n h HIS 62 CO -0.10 0.11 -0.63 0.52 -3.07 0.00 0.00 177.93 174.76 1i1n h MET 63 N 0.00 0.14 -0.26 5.12 2.86 -1.48 -0.37 114.93 120.93 1i1n h MET 63 Ca -0.00 -0.10 -0.15 0.00 -2.06 0.00 0.00 59.70 57.39 1i1n h MET 63 Cb 0.20 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.88 1i1n h MET 63 CO 0.01 0.72 -0.42 0.45 1.06 0.00 0.00 176.91 178.74 1i1n h HIS 64 N 0.10 0.93 -0.40 -0.22 3.86 -1.27 -2.42 115.15 115.74 1i1n h HIS 64 Ca -0.01 -0.32 -0.01 0.00 -1.16 0.00 0.00 60.37 58.87 1i1n h HIS 64 Cb 1.13 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 29.40 1i1n h HIS 64 CO 0.01 1.10 0.21 0.00 0.86 0.00 0.00 177.93 180.12 1i1n h ALA 65 N 0.66 0.51 -0.52 2.45 0.00 -1.11 -1.46 119.26 119.79 1i1n h ALA 65 Ca 0.02 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.88 1i1n h ALA 65 Cb 1.01 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 1i1n h ALA 65 CO 0.10 0.04 0.30 1.88 0.00 0.00 0.00 179.25 181.57 1i1n h TYR 66 N 0.51 0.56 -0.58 0.00 0.05 -1.02 -1.24 116.97 115.23 1i1n h TYR 66 Ca 0.14 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.93 1i1n h TYR 66 Cb 0.07 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 37.61 1i1n h TYR 66 CO -0.02 0.31 0.35 0.00 -1.05 0.00 0.00 178.16 177.75 1i1n h ALA 67 N 1.25 0.74 -0.63 3.88 0.00 -1.15 -1.11 119.26 122.24 1i1n h ALA 67 Ca 0.22 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1i1n h ALA 67 Cb 0.05 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1i1n h ALA 67 CO -0.11 0.22 0.07 -0.07 0.00 0.00 0.00 179.25 179.35 1i1n h LEU 68 N 0.79 1.03 -0.55 0.00 3.38 -0.92 -2.05 115.31 116.99 1i1n h LEU 68 Ca 0.21 -0.28 -0.15 0.00 0.09 0.00 0.00 57.88 57.75 1i1n h LEU 68 Cb -0.02 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 1i1n h LEU 68 CO -0.04 1.05 -0.49 -0.33 0.09 0.00 0.00 178.44 178.73 1i1n h GLU 69 N 0.98 0.61 0.00 1.13 4.39 -1.04 -1.75 114.58 118.89 1i1n h GLU 69 Ca 0.19 -0.35 -0.08 0.00 0.34 0.00 0.00 59.36 59.45 1i1n h GLU 69 Cb 0.48 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 1i1n h GLU 69 CO 0.02 0.96 -0.40 -0.07 -1.16 0.00 0.00 179.01 178.36 1i1n h LEU 70 N 0.48 0.00 -2.94 1.33 3.38 -1.06 -2.97 115.31 113.54 1i1n h LEU 70 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1i1n h LEU 70 Cb 1.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1i1n h LEU 70 CO 0.10 0.40 0.00 0.18 0.09 0.00 0.00 178.44 179.20 1i1n n LEU 71 N -3.95 3.73 -0.30 1.67 4.77 -0.78 -4.77 117.00 117.37 1i1n n LEU 71 Ca -0.02 -2.19 -0.06 0.00 -0.03 0.00 0.00 56.01 53.71 1i1n n LEU 71 Cb 0.44 -0.41 -0.02 0.00 -2.33 0.00 0.00 43.42 41.10 1i1n n LEU 71 CO 0.39 0.82 0.57 0.15 -1.33 0.00 0.00 177.39 177.98 1i1n h PHE 72 N 3.14 -1.28 0.00 -1.77 3.04 -1.15 0.16 116.94 119.08 1i1n h PHE 72 Ca 0.00 0.10 -0.09 0.00 3.98 0.00 0.00 57.97 61.96 1i1n h PHE 72 Cb 1.03 0.67 -0.01 0.00 2.56 0.00 0.00 35.95 40.20 1i1n h PHE 72 CO 0.45 -0.40 -0.44 -0.44 -2.02 0.00 0.00 178.31 175.46 1i1n h ASP 73 N -0.10 0.00 1.49 0.41 3.32 -1.86 -2.82 116.42 116.86 1i1n h ASP 73 Ca 0.24 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.22 1i1n h ASP 73 Cb 0.55 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 1i1n h ASP 73 CO -0.84 0.44 -0.35 1.56 -1.72 0.00 0.00 179.24 178.33 1i1n h GLN 74 N 0.00 0.00 -2.00 3.56 7.50 -1.59 -3.29 115.11 119.29 1i1n h GLN 74 Ca -0.00 0.00 -0.57 0.00 0.50 0.00 0.00 58.65 58.58 1i1n h GLN 74 Cb 0.79 0.00 -0.20 0.00 0.05 0.00 0.00 27.48 28.12 1i1n h GLN 74 CO 0.06 0.35 0.56 1.28 -1.50 0.00 0.00 178.83 179.58 1i1n n LEU 75 N -3.23 6.74 -4.94 1.46 4.77 -0.06 -4.48 117.00 117.26 1i1n n LEU 75 Ca 0.02 -4.26 -0.25 0.00 -0.03 0.00 0.00 56.01 51.49 1i1n n LEU 75 Cb 0.64 -1.19 0.07 0.00 -2.33 0.00 0.00 43.42 40.61 1i1n n LEU 75 CO 0.38 1.74 0.59 -1.38 -1.33 0.00 0.00 177.39 177.38 1i1n s HIS 76 N -2.31 2.85 0.08 -1.77 -3.43 -1.24 -3.89 115.29 105.58 1i1n s HIS 76 Ca 0.57 0.36 -0.34 0.00 -0.80 0.00 0.00 55.06 54.85 1i1n s HIS 76 Cb 0.40 -3.15 -0.13 0.00 -1.43 0.00 0.00 32.58 28.26 1i1n s HIS 76 CO -0.27 -1.37 1.66 -1.91 -2.00 0.00 0.00 174.74 170.84 1i1n n GLU 77 N -2.86 2.12 -0.48 -0.38 4.07 -1.26 -1.45 120.64 120.40 1i1n n GLU 77 Ca 0.08 0.77 0.00 0.00 -0.06 0.00 0.00 57.16 57.95 1i1n n GLU 77 Cb 0.60 -2.55 0.00 0.00 -0.06 0.00 0.00 31.44 29.43 1i1n n GLU 77 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1i1n n GLY 78 N 3.67 1.31 3.69 8.31 0.00 -0.14 -4.89 105.19 117.14 1i1n n GLY 78 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 1i1n n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i1n s ALA 79 N -3.20 1.37 -0.12 4.61 0.00 -0.53 -4.50 121.76 119.39 1i1n s ALA 79 Ca 0.00 0.05 0.02 0.00 0.00 0.00 0.00 51.96 52.02 1i1n s ALA 79 Cb 0.00 -3.24 -0.01 0.00 0.00 0.00 0.00 23.12 19.87 1i1n s ALA 79 CO 0.00 -2.52 -0.18 0.21 0.00 0.00 0.00 175.76 173.27 1i1n s LYS 80 N -4.84 3.24 0.10 0.00 2.20 -1.26 -1.73 119.74 117.45 1i1n s LYS 80 Ca 0.64 -0.77 0.05 0.00 -0.36 0.00 0.00 55.97 55.54 1i1n s LYS 80 Cb -0.19 -2.50 -0.03 0.00 -1.51 0.00 0.00 37.83 33.59 1i1n s LYS 80 CO 0.58 0.18 -0.14 0.00 -0.36 0.00 0.00 175.35 175.61 1i1n s ALA 81 N 0.39 1.34 -0.09 3.13 0.00 -0.24 -0.59 121.76 125.70 1i1n s ALA 81 Ca -0.14 -1.17 0.02 0.00 0.00 0.00 0.00 51.96 50.67 1i1n s ALA 81 Cb -0.17 -0.08 0.01 0.00 0.00 0.00 0.00 23.12 22.89 1i1n s ALA 81 CO 0.06 0.12 -0.14 -1.17 0.00 0.00 0.00 175.76 174.63 1i1n s LEU 82 N -2.17 1.66 -0.39 0.00 2.96 -0.40 -0.85 118.68 119.48 1i1n s LEU 82 Ca 0.04 -0.37 -0.03 0.00 -0.22 0.00 0.00 54.13 53.56 1i1n s LEU 82 Cb -0.07 -0.97 0.10 0.00 0.50 0.00 0.00 46.19 45.75 1i1n s LEU 82 CO 0.02 0.02 0.18 -0.62 -1.32 0.00 0.00 176.35 174.63 1i1n s ASP 83 N 0.88 5.21 -0.09 3.68 2.15 0.22 -1.03 116.67 127.70 1i1n s ASP 83 Ca -0.10 -1.93 -0.26 0.00 0.43 0.00 0.00 52.55 50.69 1i1n s ASP 83 Cb -0.15 -1.82 -0.03 0.00 -0.30 0.00 0.00 42.92 40.63 1i1n s ASP 83 CO 0.01 -0.51 0.82 -0.69 -0.17 0.00 0.00 175.17 174.63 1i1n s VAL 84 N 1.16 4.94 -0.17 1.11 1.01 0.81 -1.29 120.40 127.97 1i1n s VAL 84 Ca 0.07 1.67 -0.00 0.00 0.00 0.00 0.00 61.98 63.72 1i1n s VAL 84 Cb -0.22 -4.15 -0.00 0.00 0.00 0.00 0.00 36.38 32.01 1i1n s VAL 84 CO -0.04 0.15 0.14 0.61 0.00 0.00 0.00 175.10 175.96 1i1n n GLY 85 N 3.18 0.38 0.31 4.51 0.00 0.20 -1.74 105.19 112.03 1i1n n GLY 85 Ca 0.03 -0.35 0.18 0.00 0.00 0.00 0.00 46.02 45.88 1i1n n GLY 85 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1i1n h SER 86 N -0.25 0.00 0.00 1.61 4.64 -1.25 -3.42 113.55 114.88 1i1n h SER 86 Ca -0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1i1n h SER 86 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1i1n h SER 86 CO 0.07 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.65 1i1n n GLY 87 N -1.14 2.19 0.29 -0.77 0.00 -1.26 -0.29 105.19 104.20 1i1n n GLY 87 Ca -0.03 0.42 0.18 0.00 0.00 0.00 0.00 46.02 46.59 1i1n n GLY 87 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1i1n h SER 88 N 0.00 0.00 0.00 1.61 4.64 -1.89 -3.40 113.55 114.51 1i1n h SER 88 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1i1n h SER 88 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1i1n h SER 88 CO 0.00 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 1i1n n GLY 89 N -0.32 0.83 0.27 -0.77 0.00 0.60 -4.29 105.19 101.51 1i1n n GLY 89 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 1i1n n GLY 89 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1i1n h ILE 90 N 0.00 1.20 0.00 -0.61 2.10 -1.90 -1.54 117.51 116.76 1i1n h ILE 90 Ca 0.00 -0.46 -0.08 0.00 1.08 0.00 0.00 64.86 65.39 1i1n h ILE 90 Cb 0.00 0.32 -0.01 0.00 -1.09 0.00 0.00 36.82 36.04 1i1n h ILE 90 CO 0.00 0.21 -0.40 0.25 -1.08 0.00 0.00 178.15 177.13 1i1n h LEU 91 N 0.89 0.00 -0.45 2.19 5.85 -1.93 -1.15 115.31 120.70 1i1n h LEU 91 Ca 0.23 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.91 1i1n h LEU 91 Cb 0.00 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 1i1n h LEU 91 CO -0.04 0.40 0.11 0.74 -0.34 0.00 0.00 178.44 179.31 1i1n h THR 92 N 0.00 1.23 -0.56 1.05 2.02 -1.72 0.11 112.91 115.04 1i1n h THR 92 Ca -0.00 -0.81 -0.07 0.00 0.77 0.00 0.00 66.41 66.29 1i1n h THR 92 Cb 0.91 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 68.21 1i1n h THR 92 CO 0.05 0.29 0.07 0.00 0.37 0.00 0.00 175.52 176.30 1i1n h ALA 93 N 0.97 0.75 -0.41 6.16 0.00 -0.92 -1.46 119.26 124.34 1i1n h ALA 93 Ca 0.14 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.81 1i1n h ALA 93 Cb 0.32 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1i1n h ALA 93 CO 0.00 0.51 0.25 0.00 0.00 0.00 0.00 179.25 180.01 1i1n h PHE 95 N 0.50 1.23 -0.83 0.00 -1.00 -0.52 -0.62 116.94 115.69 1i1n h PHE 95 Ca 0.16 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.96 1i1n h PHE 95 Cb 0.00 -0.41 -0.04 0.00 3.61 0.00 0.00 35.95 39.11 1i1n h PHE 95 CO -0.07 0.76 0.46 0.00 -1.61 0.00 0.00 178.31 177.85 1i1n h ALA 96 N 1.37 1.07 -0.17 2.45 0.00 -0.68 -0.87 119.26 122.44 1i1n h ALA 96 Ca 0.37 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 55.05 1i1n h ALA 96 Cb -0.12 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.33 1i1n h ALA 96 CO -0.09 0.58 -0.37 0.00 0.00 0.00 0.00 179.25 179.37 1i1n h ARG 97 N 1.16 0.36 -0.10 0.00 3.08 -0.56 -2.38 114.38 115.93 1i1n h ARG 97 Ca 0.29 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 60.16 1i1n h ARG 97 Cb 0.03 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.06 1i1n h ARG 97 CO -0.05 0.68 -0.01 0.52 -1.07 0.00 0.00 179.97 180.05 1i1n h MET 98 N 0.30 0.19 0.00 0.04 2.86 -0.46 -3.10 114.93 114.76 1i1n h MET 98 Ca 0.03 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1i1n h MET 98 Cb 0.79 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.44 1i1n h MET 98 CO 0.06 0.46 0.00 1.33 1.06 0.00 0.00 176.91 179.82 1i1n n VAL 99 N -4.80 0.03 -3.39 -2.22 0.24 -0.39 -4.36 118.33 103.44 1i1n n VAL 99 Ca -0.06 0.01 0.04 0.00 -2.04 0.00 0.00 64.34 62.29 1i1n n VAL 99 Cb 0.21 -0.56 -0.01 0.00 -1.47 0.00 0.00 33.84 32.01 1i1n n VAL 99 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1i1n n GLY 100 N 0.84 -1.58 0.34 7.63 0.00 -0.90 -0.97 105.19 110.55 1i1n n GLY 100 Ca 0.20 -1.20 0.12 0.00 0.00 0.00 0.00 46.02 45.14 1i1n n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i1n n THR 102 N -4.46 0.00 -2.99 0.00 -2.24 -1.26 -4.94 114.28 98.39 1i1n n THR 102 Ca 0.06 -0.25 -0.20 0.00 -2.27 0.00 0.00 64.05 61.39 1i1n n THR 102 Cb 0.34 0.84 0.02 0.00 -2.10 0.00 0.00 70.33 69.42 1i1n n THR 102 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1i1n s GLY 103 N -2.30 1.75 0.01 3.38 0.00 -0.97 -4.35 107.32 104.84 1i1n s GLY 103 Ca 0.26 -1.38 0.01 0.00 0.00 0.00 0.00 44.72 43.62 1i1n s GLY 103 CO 0.46 -1.19 -0.05 0.54 0.00 0.00 0.00 173.10 172.86 1i1n s LYS 104 N -4.49 0.36 0.01 2.90 1.02 -0.70 -4.68 119.74 114.16 1i1n s LYS 104 Ca 0.52 -0.36 0.03 0.00 0.02 0.00 0.00 55.97 56.19 1i1n s LYS 104 Cb -0.10 -0.25 -0.01 0.00 -0.52 0.00 0.00 37.83 36.95 1i1n s LYS 104 CO 0.35 0.06 -0.10 0.54 -0.92 0.00 0.00 175.35 175.28 1i1n s VAL 105 N -0.60 0.82 -0.10 3.17 0.11 -0.14 -1.08 120.40 122.57 1i1n s VAL 105 Ca -0.04 -0.64 0.03 0.00 -2.93 0.00 0.00 61.98 58.40 1i1n s VAL 105 Cb -0.05 -0.72 0.01 0.00 -1.53 0.00 0.00 36.38 34.09 1i1n s VAL 105 CO -0.00 0.08 -0.21 -0.63 -3.33 0.00 0.00 175.10 171.01 1i1n s ILE 106 N -0.52 1.89 -0.10 7.04 1.09 -0.03 -1.84 121.20 128.72 1i1n s ILE 106 Ca 0.01 -0.91 0.00 0.00 -1.10 0.00 0.00 60.65 58.66 1i1n s ILE 106 Cb -0.05 -1.65 -0.02 0.00 -1.06 0.00 0.00 42.46 39.67 1i1n s ILE 106 CO 0.00 0.52 -0.09 -0.83 -0.10 0.00 0.00 174.94 174.44 1i1n s GLY 107 N 0.54 1.62 -0.02 6.18 0.00 0.36 -0.61 107.32 115.39 1i1n s GLY 107 Ca -0.15 -0.89 0.03 0.00 0.00 0.00 0.00 44.72 43.71 1i1n s GLY 107 CO 0.05 -0.41 -0.12 -1.50 0.00 0.00 0.00 173.10 171.13 1i1n s ILE 108 N -0.18 0.95 0.00 0.90 2.07 -0.41 -0.75 121.20 123.78 1i1n s ILE 108 Ca 0.01 -0.48 -0.05 0.00 -1.41 0.00 0.00 60.65 58.72 1i1n s ILE 108 Cb -0.13 -0.82 -0.00 0.00 0.13 0.00 0.00 42.46 41.64 1i1n s ILE 108 CO 0.03 0.28 0.10 -0.62 -1.91 0.00 0.00 174.94 172.82 1i1n s ASP 109 N -0.05 0.06 0.00 4.50 -1.08 -0.91 0.59 116.67 119.78 1i1n s ASP 109 Ca 0.00 -0.22 0.28 0.00 -0.52 0.00 0.00 52.55 52.09 1i1n s ASP 109 Cb -0.07 0.19 1.14 0.00 -1.46 0.00 0.00 42.92 42.72 1i1n s ASP 109 CO 0.00 -0.32 1.80 0.00 0.52 0.00 0.00 175.17 177.17 1i1n n HIS 110 N 1.65 0.00 -3.46 -5.34 1.44 -1.09 -1.72 115.22 106.69 1i1n n HIS 110 Ca -0.22 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.06 1i1n n HIS 110 Cb 0.56 -0.10 -0.09 0.00 0.12 0.00 0.00 29.99 30.47 1i1n n HIS 110 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1i1n s ILE 111 N -2.31 5.14 0.21 0.61 -1.09 -1.26 -4.73 121.20 117.78 1i1n s ILE 111 Ca 0.32 -0.83 -0.10 0.00 -2.23 0.00 0.00 60.65 57.81 1i1n s ILE 111 Cb 0.20 -3.94 0.17 0.00 -1.58 0.00 0.00 42.46 37.32 1i1n s ILE 111 CO 0.44 -0.39 1.69 0.50 -1.23 0.00 0.00 174.94 175.95 1i1n h LYS 112 N 8.64 0.22 -0.64 2.79 3.64 -1.98 -1.25 116.57 127.99 1i1n h LYS 112 Ca -0.27 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.12 1i1n h LYS 112 Cb 1.11 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.85 1i1n h LYS 112 CO 0.77 0.15 0.42 0.93 -2.27 0.00 0.00 179.45 179.45 1i1n h GLU 113 N 0.23 0.77 -0.40 1.90 3.07 -1.98 -0.43 114.58 117.73 1i1n h GLU 113 Ca 0.32 -0.05 -0.15 0.00 -0.50 0.00 0.00 59.36 58.99 1i1n h GLU 113 Cb 0.50 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.23 1i1n h GLU 113 CO -0.44 0.51 -0.33 -0.07 -1.40 0.00 0.00 179.01 177.29 1i1n h LEU 114 N 0.79 0.98 -0.41 1.33 3.38 -1.60 -0.95 115.31 118.83 1i1n h LEU 114 Ca 0.25 -0.45 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 1i1n h LEU 114 Cb 0.03 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1i1n h LEU 114 CO -0.07 1.22 0.18 0.58 0.09 0.00 0.00 178.44 180.45 1i1n h VAL 115 N 0.75 1.19 -0.71 1.22 2.07 -0.75 0.21 116.25 120.23 1i1n h VAL 115 Ca 0.07 -0.56 0.02 0.00 0.82 0.00 0.00 66.70 67.06 1i1n h VAL 115 Cb 0.91 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 1i1n h VAL 115 CO 0.08 0.21 0.45 0.44 0.02 0.00 0.00 177.57 178.77 1i1n h ASP 116 N 0.53 0.75 -0.48 0.57 3.32 -0.97 -1.33 116.42 118.79 1i1n h ASP 116 Ca 0.14 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 1i1n h ASP 116 Cb 0.16 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 1i1n h ASP 116 CO -0.01 0.52 0.17 0.44 -1.72 0.00 0.00 179.24 178.64 1i1n h ASP 117 N 0.89 0.69 -0.34 6.45 3.32 -0.68 -2.63 116.42 124.12 1i1n h ASP 117 Ca 0.28 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 1i1n h ASP 117 Cb -0.01 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 1i1n h ASP 117 CO -0.10 0.69 0.17 0.77 -1.72 0.00 0.00 179.24 179.06 1i1n h SER 118 N 0.64 0.47 -0.44 6.45 4.64 -0.02 0.15 113.55 125.44 1i1n h SER 118 Ca 0.16 -0.04 -0.06 0.00 -0.47 0.00 0.00 61.79 61.38 1i1n h SER 118 Cb 0.24 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.19 1i1n h SER 118 CO -0.01 0.42 0.06 0.58 -0.87 0.00 0.00 176.83 177.01 1i1n h VAL 119 N 0.53 1.25 -0.49 0.95 2.07 -1.01 -0.37 116.25 119.18 1i1n h VAL 119 Ca 0.13 -0.93 -0.08 0.00 0.82 0.00 0.00 66.70 66.65 1i1n h VAL 119 Cb 0.08 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1i1n h VAL 119 CO -0.02 0.32 -0.01 0.78 0.02 0.00 0.00 177.57 178.67 1i1n h ASN 120 N 0.60 0.80 -0.11 0.57 2.35 -0.94 -0.92 115.58 117.92 1i1n h ASN 120 Ca 0.13 -0.20 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 1i1n h ASN 120 Cb 0.40 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.56 1i1n h ASN 120 CO 0.01 0.86 0.04 0.78 -1.65 0.00 0.00 177.43 177.48 1i1n h ASN 121 N 0.77 0.16 -0.54 5.81 2.35 -0.41 -1.50 115.58 122.21 1i1n h ASN 121 Ca 0.15 -0.19 -0.05 0.00 -0.55 0.00 0.00 56.30 55.66 1i1n h ASN 121 Cb 0.47 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.77 1i1n h ASN 121 CO 0.02 0.31 0.17 0.58 -1.65 0.00 0.00 177.43 176.85 1i1n h VAL 122 N 0.01 1.23 -0.44 2.81 2.07 -0.94 -1.59 116.25 119.41 1i1n h VAL 122 Ca 0.04 -0.80 -0.05 0.00 0.82 0.00 0.00 66.70 66.71 1i1n h VAL 122 Cb 0.20 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1i1n h VAL 122 CO -0.00 0.31 0.08 -0.09 0.02 0.00 0.00 177.57 177.88 1i1n h ARG 123 N 0.86 0.66 -0.00 1.57 2.43 -0.91 0.43 114.38 119.42 1i1n h ARG 123 Ca 0.19 -0.13 -0.12 0.00 -0.81 0.00 0.00 59.98 59.11 1i1n h ARG 123 Cb 0.27 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1i1n h ARG 123 CO -0.01 0.63 -0.58 0.87 -1.51 0.00 0.00 179.97 179.37 1i1n h LYS 124 N 0.64 0.01 0.22 0.20 1.57 -0.74 -2.96 116.57 115.51 1i1n h LYS 124 Ca 0.14 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1i1n h LYS 124 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1i1n h LYS 124 CO 0.00 0.59 -0.11 0.22 -0.57 0.00 0.00 179.45 179.59 1i1n h ASP 125 N 0.01 -0.25 -1.41 0.86 1.82 -0.49 -3.46 116.42 113.50 1i1n h ASP 125 Ca -0.01 0.01 -0.08 0.00 -0.39 0.00 0.00 57.03 56.57 1i1n h ASP 125 Cb 1.04 0.06 -0.25 0.00 0.68 0.00 0.00 39.33 40.86 1i1n h ASP 125 CO 0.08 0.01 -0.44 -0.62 -1.61 0.00 0.00 179.24 176.65 1i1n s ASP 126 N -4.01 -0.51 0.62 2.28 -1.08 0.07 -5.03 116.67 109.00 1i1n s ASP 126 Ca -0.04 0.04 0.33 0.00 -0.52 0.00 0.00 52.55 52.36 1i1n s ASP 126 Cb 0.00 1.54 1.91 0.00 -1.46 0.00 0.00 42.92 44.92 1i1n s ASP 126 CO 0.13 -0.32 2.19 1.55 0.52 0.00 0.00 175.17 179.25 1i1n h PRO 127 N 8.09 0.00 0.00 4.34 0.13 -1.66 -1.28 132.00 141.63 1i1n h PRO 127 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 1i1n h PRO 127 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1i1n h PRO 127 CO 0.23 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.25 1i1n n THR 128 N -3.51 0.77 0.19 1.56 -2.24 -1.26 -1.95 114.28 107.83 1i1n n THR 128 Ca -0.01 0.12 0.03 0.00 -2.27 0.00 0.00 64.05 61.92 1i1n n THR 128 Cb 0.20 -1.00 0.38 0.00 -2.10 0.00 0.00 70.33 67.80 1i1n n THR 128 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1i1n h LEU 129 N 0.00 0.00 0.07 3.22 3.38 -1.57 -1.33 115.31 119.08 1i1n h LEU 129 Ca 0.00 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 1i1n h LEU 129 Cb 0.43 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1i1n h LEU 129 CO 0.00 0.35 -1.54 -0.07 0.09 0.00 0.00 178.44 177.27 1i1n h LEU 130 N 0.00 0.24 -1.62 1.67 3.38 -1.56 -0.57 115.31 116.85 1i1n h LEU 130 Ca -0.00 -0.76 0.00 0.00 0.09 0.00 0.00 57.88 57.21 1i1n h LEU 130 Cb 0.62 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1i1n h LEU 130 CO 0.05 1.65 0.00 0.77 0.09 0.00 0.00 178.44 180.99 1i1n h SER 131 N -0.45 0.00 0.84 -0.43 4.64 -1.39 -2.44 113.55 114.33 1i1n h SER 131 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1i1n h SER 131 Cb 1.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.76 1i1n h SER 131 CO -0.03 0.00 -0.47 -1.54 -0.87 0.00 0.00 176.83 173.91 1i1n n SER 132 N -3.02 0.59 0.00 4.97 3.41 -0.51 -4.93 113.62 114.14 1i1n n SER 132 Ca 0.00 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 1i1n n SER 132 Cb 0.27 0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 1i1n n SER 132 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i1n n GLY 133 N 1.39 0.80 0.23 5.00 0.00 -0.92 -4.92 105.19 106.78 1i1n n GLY 133 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.04 1i1n n GLY 133 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1i1n h ARG 134 N 2.90 0.43 -5.45 1.61 3.08 -1.75 -3.43 114.38 111.77 1i1n h ARG 134 Ca 0.00 -0.15 -0.68 0.00 0.07 0.00 0.00 59.98 59.22 1i1n h ARG 134 Cb 0.00 -0.03 -0.32 0.00 0.08 0.00 0.00 29.97 29.70 1i1n h ARG 134 CO 0.00 0.64 -0.86 0.08 -1.07 0.00 0.00 179.97 178.76 1i1n s VAL 135 N -4.50 2.22 -0.03 2.04 1.01 -0.24 -0.97 120.40 119.92 1i1n s VAL 135 Ca -0.06 -0.97 0.04 0.00 0.00 0.00 0.00 61.98 60.99 1i1n s VAL 135 Cb 0.14 -1.85 -0.01 0.00 0.00 0.00 0.00 36.38 34.66 1i1n s VAL 135 CO 0.78 0.56 -0.15 -1.10 0.00 0.00 0.00 175.10 175.18 1i1n s GLN 136 N 0.25 1.46 -0.12 2.72 -0.21 -0.77 -4.62 119.66 118.37 1i1n s GLN 136 Ca -0.15 -0.55 -0.00 0.00 0.02 0.00 0.00 55.36 54.68 1i1n s GLN 136 Cb -0.17 -1.33 0.03 0.00 1.00 0.00 0.00 33.01 32.54 1i1n s GLN 136 CO 0.08 0.27 -0.07 -0.51 -2.12 0.00 0.00 175.29 172.93 1i1n s LEU 137 N -0.11 1.25 0.20 2.90 1.43 -1.26 -0.48 118.68 122.61 1i1n s LEU 137 Ca 0.00 -0.37 0.08 0.00 -1.03 0.00 0.00 54.13 52.81 1i1n s LEU 137 Cb -0.09 -0.85 -0.05 0.00 0.03 0.00 0.00 46.19 45.24 1i1n s LEU 137 CO 0.01 -0.13 -0.15 0.68 0.23 0.00 0.00 176.35 176.98 1i1n s VAL 138 N 1.70 1.77 -0.20 -1.59 -7.23 0.07 -4.97 120.40 109.96 1i1n s VAL 138 Ca 0.04 -2.19 -0.09 0.00 -1.81 0.00 0.00 61.98 57.93 1i1n s VAL 138 Cb -0.13 -2.03 -0.05 0.00 0.56 0.00 0.00 36.38 34.73 1i1n s VAL 138 CO -0.08 -0.57 0.11 -0.69 -0.31 0.00 0.00 175.10 173.56 1i1n s VAL 139 N -2.87 5.22 0.00 1.32 1.01 -1.26 -2.14 120.40 121.68 1i1n s VAL 139 Ca 0.22 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.32 1i1n s VAL 139 Cb -0.01 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.99 1i1n s VAL 139 CO 0.07 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.23 1i1n n GLY 140 N 3.54 0.01 3.56 4.51 0.00 -0.70 -4.94 105.19 111.17 1i1n n GLY 140 Ca -0.16 -1.07 -0.43 0.00 0.00 0.00 0.00 46.02 44.36 1i1n n GLY 140 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1i1n s ASP 141 N 0.00 6.46 0.27 1.61 -1.08 -1.26 -2.68 116.67 119.98 1i1n s ASP 141 Ca 0.00 0.04 0.21 0.00 -0.52 0.00 0.00 52.55 52.28 1i1n s ASP 141 Cb 0.00 -2.50 1.01 0.00 -1.46 0.00 0.00 42.92 39.97 1i1n s ASP 141 CO 0.00 -1.28 1.63 0.61 0.52 0.00 0.00 175.17 176.65 1i1n n GLY 142 N 5.01 -1.00 0.17 2.66 0.00 -1.26 -1.88 105.19 108.90 1i1n n GLY 142 Ca 0.07 0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.36 1i1n n GLY 142 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1i1n h ARG 143 N 0.00 0.00 -0.54 1.61 3.08 -1.97 0.49 114.38 117.05 1i1n h ARG 143 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1i1n h ARG 143 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1i1n h ARG 143 CO 0.00 0.00 0.00 -1.33 -1.07 0.00 0.00 179.97 177.57 1i1n n MET 144 N -2.42 2.69 0.00 0.04 2.81 -0.79 -4.43 117.12 115.02 1i1n n MET 144 Ca 0.01 -2.36 0.00 0.00 -1.81 0.00 0.00 57.70 53.53 1i1n n MET 144 Cb 0.18 -1.45 0.00 0.00 -0.71 0.00 0.00 33.22 31.25 1i1n n MET 144 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1i1n n GLY 145 N 1.21 2.29 2.69 3.03 0.00 0.16 -4.42 105.19 110.15 1i1n n GLY 145 Ca 0.19 -0.46 -0.13 0.00 0.00 0.00 0.00 46.02 45.62 1i1n n GLY 145 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1i1n s TYR 146 N 0.00 -0.58 0.49 1.61 5.04 -1.26 -4.67 117.35 117.98 1i1n s TYR 146 Ca 0.00 -1.08 0.19 0.00 -2.44 0.00 0.00 57.07 53.74 1i1n s TYR 146 Cb 0.00 -0.18 1.23 0.00 0.35 0.00 0.00 41.96 43.36 1i1n s TYR 146 CO 0.00 -1.08 2.02 0.00 -1.34 0.00 0.00 175.55 175.15 1i1n h ALA 147 N 5.72 2.22 -0.96 3.97 0.00 -1.96 -2.79 119.26 125.47 1i1n h ALA 147 Ca 0.12 -0.01 0.21 0.00 0.00 0.00 0.00 54.91 55.23 1i1n h ALA 147 Cb 1.05 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.74 1i1n h ALA 147 CO 0.16 -0.34 0.61 0.93 0.00 0.00 0.00 179.25 180.61 1i1n h GLU 148 N 0.16 0.51 -0.19 0.00 3.07 -1.97 -2.12 114.58 114.03 1i1n h GLU 148 Ca 0.22 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.05 1i1n h GLU 148 Cb 0.65 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.44 1i1n h GLU 148 CO -0.03 0.34 0.00 0.39 -1.40 0.00 0.00 179.01 178.31 1i1n n GLU 149 N -4.60 2.17 -1.48 2.33 -0.58 -1.06 -5.02 120.64 112.39 1i1n n GLU 149 Ca 0.21 -1.67 -0.31 0.00 -0.42 0.00 0.00 57.16 54.97 1i1n n GLU 149 Cb 0.68 -1.19 0.07 0.00 -0.57 0.00 0.00 31.44 30.42 1i1n n GLU 149 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1i1n s ALA 150 N -0.92 2.49 0.67 0.62 0.00 -0.80 -4.69 121.76 119.14 1i1n s ALA 150 Ca 0.15 0.09 -0.10 0.00 0.00 0.00 0.00 51.96 52.10 1i1n s ALA 150 Cb 0.09 -3.19 0.01 0.00 0.00 0.00 0.00 23.12 20.02 1i1n s ALA 150 CO 0.12 -1.45 1.05 -1.25 0.00 0.00 0.00 175.76 174.23 1i1n s PRO 151 N -5.02 2.92 0.09 0.00 0.04 -1.26 -5.03 135.00 126.74 1i1n s PRO 151 Ca 0.59 0.38 0.10 0.00 0.04 0.00 0.00 61.00 62.11 1i1n s PRO 151 Cb -0.15 -2.08 -0.03 0.00 0.04 0.00 0.00 34.50 32.27 1i1n s PRO 151 CO 0.55 -0.93 -0.25 0.71 0.04 0.00 0.00 177.00 177.12 1i1n s TYR 152 N -3.26 2.36 0.09 0.56 2.02 0.53 -4.82 117.35 114.82 1i1n s TYR 152 Ca 0.57 -0.37 -0.04 0.00 -0.37 0.00 0.00 57.07 56.86 1i1n s TYR 152 Cb -0.11 -1.33 -0.26 0.00 -0.40 0.00 0.00 41.96 39.86 1i1n s TYR 152 CO 0.50 0.25 1.17 -0.44 -1.57 0.00 0.00 175.55 175.47 1i1n h ASP 153 N 4.29 0.41 -3.66 2.29 3.32 -1.16 -0.60 116.42 121.30 1i1n h ASP 153 Ca -0.49 -0.42 -0.34 0.00 0.02 0.00 0.00 57.03 55.80 1i1n h ASP 153 Cb 1.16 -0.13 -0.31 0.00 0.22 0.00 0.00 39.33 40.26 1i1n h ASP 153 CO 0.42 1.32 -0.75 0.00 -1.72 0.00 0.00 179.24 178.51 1i1n s ALA 154 N -2.73 0.39 -0.06 3.45 0.00 -1.12 -1.35 121.76 120.34 1i1n s ALA 154 Ca -0.04 -0.02 0.01 0.00 0.00 0.00 0.00 51.96 51.91 1i1n s ALA 154 Cb 0.07 -0.23 0.02 0.00 0.00 0.00 0.00 23.12 22.99 1i1n s ALA 154 CO 0.88 0.01 -0.05 0.42 0.00 0.00 0.00 175.76 177.02 1i1n s ILE 155 N 0.49 0.67 -0.03 0.00 1.01 -0.31 -1.28 121.20 121.76 1i1n s ILE 155 Ca -0.05 -0.16 0.06 0.00 0.00 0.00 0.00 60.65 60.50 1i1n s ILE 155 Cb -0.08 -0.70 -0.01 0.00 0.01 0.00 0.00 42.46 41.67 1i1n s ILE 155 CO -0.01 0.27 -0.22 -2.28 0.00 0.00 0.00 174.94 172.70 1i1n s HIS 156 N 1.16 2.09 -0.19 3.97 5.65 -0.20 -1.05 115.29 126.73 1i1n s HIS 156 Ca -0.07 -0.49 0.01 0.00 0.25 0.00 0.00 55.06 54.77 1i1n s HIS 156 Cb -0.14 -1.36 0.03 0.00 -1.18 0.00 0.00 32.58 29.94 1i1n s HIS 156 CO -0.01 -0.10 -0.14 0.08 -0.65 0.00 0.00 174.74 173.92 1i1n s VAL 157 N -0.35 1.80 -0.34 0.89 1.01 -0.52 -0.13 120.40 122.76 1i1n s VAL 157 Ca 0.04 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.08 1i1n s VAL 157 Cb -0.10 -1.76 0.48 0.00 0.00 0.00 0.00 36.38 34.99 1i1n s VAL 157 CO 0.01 0.32 1.69 0.61 0.00 0.00 0.00 175.10 177.73 1i1n n GLY 158 N 4.66 3.89 3.22 4.51 0.00 -0.71 -4.28 105.19 116.48 1i1n n GLY 158 Ca -0.17 -0.85 -0.13 0.00 0.00 0.00 0.00 46.02 44.87 1i1n n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i1n s ALA 159 N -2.43 -0.78 -0.11 4.61 0.00 -1.26 -4.55 121.76 117.24 1i1n s ALA 159 Ca 0.42 0.61 -0.28 0.00 0.00 0.00 0.00 51.96 52.71 1i1n s ALA 159 Cb 0.35 -0.24 -0.01 0.00 0.00 0.00 0.00 23.12 23.22 1i1n s ALA 159 CO 0.07 -0.21 0.96 0.00 0.00 0.00 0.00 175.76 176.58 1i1n s ALA 160 N -0.57 3.42 -0.14 0.00 0.00 0.68 -4.27 121.76 120.88 1i1n s ALA 160 Ca -0.07 0.30 -0.07 0.00 0.00 0.00 0.00 51.96 52.12 1i1n s ALA 160 Cb -0.04 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 1i1n s ALA 160 CO 0.02 -0.58 0.12 0.00 0.00 0.00 0.00 175.76 175.32 1i1n s ALA 161 N 1.96 3.73 0.30 0.00 0.00 -0.12 0.01 121.76 127.64 1i1n s ALA 161 Ca 0.46 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.74 1i1n s ALA 161 Cb -0.18 -1.96 0.48 0.00 0.00 0.00 0.00 23.12 21.46 1i1n s ALA 161 CO 0.17 0.47 1.88 -1.00 0.00 0.00 0.00 175.76 177.27 1i1n h PRO 162 N 5.56 0.79 -4.06 0.00 0.13 -1.82 0.38 132.00 132.99 1i1n h PRO 162 Ca -0.50 -0.13 -0.29 0.00 -0.87 0.00 0.00 66.00 64.22 1i1n h PRO 162 Cb 1.20 -0.13 -0.28 0.00 0.13 0.00 0.00 31.00 31.91 1i1n h PRO 162 CO 0.63 0.68 -0.74 0.14 -0.23 0.00 0.00 178.00 178.48 1i1n s VAL 163 N -5.30 0.24 0.08 1.56 -7.23 -1.26 -4.25 120.40 104.24 1i1n s VAL 163 Ca -0.10 -0.13 -0.32 0.00 -1.81 0.00 0.00 61.98 59.63 1i1n s VAL 163 Cb 0.16 -0.21 -0.11 0.00 0.56 0.00 0.00 36.38 36.78 1i1n s VAL 163 CO 0.79 0.07 1.85 0.52 -0.31 0.00 0.00 175.10 178.02 1i1n n VAL 164 N 3.02 0.44 -2.14 1.32 0.31 -1.26 -4.90 118.33 115.13 1i1n n VAL 164 Ca -0.13 -0.08 -0.43 0.00 -0.01 0.00 0.00 64.34 63.70 1i1n n VAL 164 Cb 0.59 -2.09 -0.02 0.00 -0.91 0.00 0.00 33.84 31.40 1i1n n VAL 164 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1i1n s PRO 165 N 3.09 3.90 0.42 5.55 0.04 -1.26 -4.88 135.00 141.86 1i1n s PRO 165 Ca 0.84 1.72 0.13 0.00 0.04 0.00 0.00 61.00 63.74 1i1n s PRO 165 Cb -0.51 -4.00 1.00 0.00 0.04 0.00 0.00 34.50 31.03 1i1n s PRO 165 CO 0.40 -1.17 1.96 0.37 0.04 0.00 0.00 177.00 178.61 1i1n h GLN 166 N 10.26 0.44 -0.91 4.56 5.75 -1.90 -2.17 115.11 131.14 1i1n h GLN 166 Ca -0.33 -0.03 0.10 0.00 -0.15 0.00 0.00 58.65 58.24 1i1n h GLN 166 Cb 1.15 -0.10 -0.07 0.00 1.07 0.00 0.00 27.48 29.53 1i1n h GLN 166 CO 0.99 0.29 0.59 0.00 -2.65 0.00 0.00 178.83 178.05 1i1n h ALA 167 N 1.68 1.62 -0.61 3.38 0.00 -1.90 -0.61 119.26 122.82 1i1n h ALA 167 Ca 0.30 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.12 1i1n h ALA 167 Cb 0.58 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1i1n h ALA 167 CO -0.09 0.18 0.01 -0.07 0.00 0.00 0.00 179.25 179.29 1i1n h LEU 168 N 0.90 1.05 -0.52 0.00 3.38 -1.63 -1.88 115.31 116.61 1i1n h LEU 168 Ca 0.43 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 1i1n h LEU 168 Cb 0.43 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1i1n h LEU 168 CO -0.19 1.09 0.05 0.40 0.09 0.00 0.00 178.44 179.88 1i1n h ILE 169 N 0.98 1.26 0.00 1.22 2.04 -1.35 -2.71 117.51 118.94 1i1n h ILE 169 Ca 0.18 -1.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.02 1i1n h ILE 169 Cb 0.54 0.89 -0.00 0.00 -0.74 0.00 0.00 36.82 37.51 1i1n h ILE 169 CO 0.03 0.36 -0.08 0.44 0.00 0.00 0.00 178.15 178.90 1i1n h ASP 170 N 0.76 0.00 -0.50 1.72 3.32 -0.85 -2.65 116.42 118.22 1i1n h ASP 170 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1i1n h ASP 170 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1i1n h ASP 170 CO 0.02 0.08 0.00 0.00 -1.72 0.00 0.00 179.24 177.62 1i1n n GLN 171 N -3.59 2.34 -3.20 3.56 6.02 -0.73 -4.93 117.38 116.86 1i1n n GLN 171 Ca -0.02 -1.87 -0.36 0.00 -0.01 0.00 0.00 57.00 54.74 1i1n n GLN 171 Cb 0.20 -1.46 -0.06 0.00 1.02 0.00 0.00 30.24 29.93 1i1n n GLN 171 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1i1n s LEU 172 N -1.10 4.36 0.51 1.08 1.43 -1.00 -0.34 118.68 123.62 1i1n s LEU 172 Ca 0.34 1.29 -0.05 0.00 -1.03 0.00 0.00 54.13 54.69 1i1n s LEU 172 Cb 0.19 -3.43 -0.02 0.00 0.03 0.00 0.00 46.19 42.96 1i1n s LEU 172 CO 0.22 0.07 0.81 -0.54 0.23 0.00 0.00 176.35 177.14 1i1n s LYS 173 N -1.90 3.34 0.35 1.70 1.02 -0.23 -4.72 119.74 119.29 1i1n s LYS 173 Ca 0.40 0.10 -0.28 0.00 0.02 0.00 0.00 55.97 56.21 1i1n s LYS 173 Cb -0.16 -2.36 -0.11 0.00 -0.52 0.00 0.00 37.83 34.68 1i1n s LYS 173 CO 0.20 -0.35 1.42 -2.14 -0.92 0.00 0.00 175.35 173.56 1i1n s PRO 174 N -4.80 4.21 0.00 -1.68 0.02 -1.26 -0.18 135.00 131.30 1i1n s PRO 174 Ca 0.49 2.43 0.00 0.00 0.02 0.00 0.00 61.00 63.94 1i1n s PRO 174 Cb -0.10 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.40 1i1n s PRO 174 CO 0.45 -0.40 0.00 0.41 -0.33 0.00 0.00 177.00 177.12 1i1n n GLY 175 N 0.72 1.71 3.82 0.52 0.00 0.16 -4.92 105.19 107.19 1i1n n GLY 175 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 1i1n n GLY 175 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1i1n s GLY 176 N -1.91 1.65 -0.02 -0.02 0.00 0.75 -4.81 107.32 102.95 1i1n s GLY 176 Ca 0.00 -0.05 0.01 0.00 0.00 0.00 0.00 44.72 44.68 1i1n s GLY 176 CO 0.00 0.31 -0.02 -1.60 0.00 0.00 0.00 173.10 171.79 1i1n s ARG 177 N -5.10 0.33 -0.13 2.90 3.52 -0.45 -1.60 118.95 118.42 1i1n s ARG 177 Ca 0.59 -0.04 0.01 0.00 -0.13 0.00 0.00 55.73 56.16 1i1n s ARG 177 Cb -0.14 -0.40 -0.01 0.00 -1.56 0.00 0.00 34.95 32.84 1i1n s ARG 177 CO 0.55 -0.02 -0.17 -1.17 -0.81 0.00 0.00 175.30 173.68 1i1n s LEU 178 N 0.43 2.48 -0.16 -0.88 2.96 0.55 -1.16 118.68 122.91 1i1n s LEU 178 Ca -0.04 -0.43 0.01 0.00 -0.22 0.00 0.00 54.13 53.45 1i1n s LEU 178 Cb -0.07 -1.54 0.01 0.00 0.50 0.00 0.00 46.19 45.08 1i1n s LEU 178 CO -0.01 0.14 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.34 1i1n s ILE 179 N 0.47 2.21 -0.07 6.68 -1.09 -0.21 -0.30 121.20 128.89 1i1n s ILE 179 Ca -0.12 -0.91 -0.25 0.00 -2.23 0.00 0.00 60.65 57.14 1i1n s ILE 179 Cb -0.16 -1.91 0.06 0.00 -1.58 0.00 0.00 42.46 38.86 1i1n s ILE 179 CO 0.05 0.54 0.57 -1.48 -1.23 0.00 0.00 174.94 173.39 1i1n s LEU 180 N 1.01 -0.21 0.11 2.97 2.34 -0.76 -1.44 118.68 122.70 1i1n s LEU 180 Ca -0.02 0.64 -0.28 0.00 0.06 0.00 0.00 54.13 54.52 1i1n s LEU 180 Cb -0.15 2.13 -0.06 0.00 -0.56 0.00 0.00 46.19 47.55 1i1n s LEU 180 CO -0.06 -0.50 0.89 -2.84 -1.06 0.00 0.00 176.35 172.79 1i1n s PRO 181 N -0.97 4.65 -0.11 1.48 0.02 -1.26 -0.87 135.00 137.94 1i1n s PRO 181 Ca -0.10 1.33 0.02 0.00 0.02 0.00 0.00 61.00 62.28 1i1n s PRO 181 Cb -0.02 -3.36 0.01 0.00 0.02 0.00 0.00 34.50 31.15 1i1n s PRO 181 CO 0.07 0.28 -0.17 0.08 -0.33 0.00 0.00 177.00 176.93 1i1n s VAL 182 N -0.20 1.63 0.00 3.83 1.01 0.66 -0.94 120.40 126.39 1i1n s VAL 182 Ca 0.43 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.68 1i1n s VAL 182 Cb -0.23 -1.46 0.00 0.00 0.00 0.00 0.00 36.38 34.69 1i1n s VAL 182 CO 0.28 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.46 1i1n n GLY 183 N 4.02 1.78 3.80 4.51 0.00 0.12 -0.49 105.19 118.93 1i1n n GLY 183 Ca -0.20 -1.27 -0.31 0.00 0.00 0.00 0.00 46.02 44.25 1i1n n GLY 183 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1i1n s PRO 184 N -1.96 2.63 0.13 1.61 0.04 -1.26 -3.39 135.00 132.80 1i1n s PRO 184 Ca 0.00 1.02 -0.31 0.00 0.04 0.00 0.00 61.00 61.75 1i1n s PRO 184 Cb 0.00 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.50 1i1n s PRO 184 CO 0.00 -1.33 1.58 0.00 0.04 0.00 0.00 177.00 177.29 1i1n s ALA 185 N -3.00 3.73 0.00 8.56 0.00 -1.26 -2.05 121.76 127.75 1i1n s ALA 185 Ca 0.59 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.85 1i1n s ALA 185 Cb -0.15 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.33 1i1n s ALA 185 CO 0.55 -0.87 0.00 0.41 0.00 0.00 0.00 175.76 175.86 1i1n n GLY 186 N 3.81 1.32 0.46 0.00 0.00 -1.26 -4.94 105.19 104.58 1i1n n GLY 186 Ca 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.14 1i1n n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i1n n GLY 187 N -2.00 0.77 3.66 -0.02 0.00 -0.87 -5.01 105.19 101.73 1i1n n GLY 187 Ca 0.00 -1.97 -0.42 0.00 0.00 0.00 0.00 46.02 43.63 1i1n n GLY 187 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1i1n s ASN 188 N -1.48 6.70 0.13 1.61 0.01 -1.26 -4.74 114.94 115.91 1i1n s ASN 188 Ca 0.08 2.17 0.09 0.00 -0.71 0.00 0.00 52.86 54.50 1i1n s ASN 188 Cb -0.00 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 39.08 1i1n s ASN 188 CO 0.05 -0.90 -0.19 -1.10 -1.51 0.00 0.00 177.10 173.45 1i1n s GLN 189 N 3.90 1.73 -0.09 -0.60 -0.21 -1.25 -4.18 119.66 118.96 1i1n s GLN 189 Ca 0.71 -1.24 0.03 0.00 0.02 0.00 0.00 55.36 54.88 1i1n s GLN 189 Cb -0.32 -2.07 0.01 0.00 1.00 0.00 0.00 33.01 31.63 1i1n s GLN 189 CO 0.28 0.47 -0.17 1.41 -2.12 0.00 0.00 175.29 175.16 1i1n s MET 190 N -2.23 2.28 -0.07 2.91 1.75 0.36 -1.68 119.30 122.63 1i1n s MET 190 Ca 0.18 -0.60 -0.30 0.00 -1.25 0.00 0.00 55.69 53.72 1i1n s MET 190 Cb -0.10 -1.84 -0.02 0.00 2.84 0.00 0.00 34.83 35.70 1i1n s MET 190 CO 0.10 0.04 1.08 -1.17 -0.65 0.00 0.00 175.02 174.41 1i1n s LEU 191 N 0.69 4.28 0.13 4.11 2.96 -0.23 -0.25 118.68 130.38 1i1n s LEU 191 Ca -0.13 1.66 0.10 0.00 -0.22 0.00 0.00 54.13 55.55 1i1n s LEU 191 Cb -0.16 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.93 1i1n s LEU 191 CO 0.03 -0.47 -0.25 -1.61 -1.32 0.00 0.00 176.35 172.72 1i1n s GLU 192 N 1.92 1.35 -0.15 1.98 2.02 -0.05 0.12 118.70 125.89 1i1n s GLU 192 Ca 0.52 -1.32 0.01 0.00 0.02 0.00 0.00 54.97 54.20 1i1n s GLU 192 Cb -0.21 -1.78 0.00 0.00 0.10 0.00 0.00 34.13 32.24 1i1n s GLU 192 CO 0.21 0.42 -0.18 -1.14 0.02 0.00 0.00 175.26 174.59 1i1n s GLN 193 N -2.07 3.13 -0.17 1.61 0.74 -0.08 -1.83 119.66 120.99 1i1n s GLN 193 Ca 0.13 -0.79 -0.02 0.00 0.05 0.00 0.00 55.36 54.73 1i1n s GLN 193 Cb -0.10 -2.57 -0.01 0.00 1.10 0.00 0.00 33.01 31.43 1i1n s GLN 193 CO 0.06 -0.02 -0.09 0.71 -0.55 0.00 0.00 175.29 175.40 1i1n s TYR 194 N 0.89 2.89 -0.06 1.67 1.51 0.59 -1.74 117.35 123.11 1i1n s TYR 194 Ca -0.04 -0.79 0.04 0.00 -1.01 0.00 0.00 57.07 55.27 1i1n s TYR 194 Cb -0.15 -1.97 -0.02 0.00 -0.11 0.00 0.00 41.96 39.71 1i1n s TYR 194 CO -0.02 -0.37 -0.18 -0.51 -1.11 0.00 0.00 175.55 173.36 1i1n s ASP 195 N 0.88 3.67 -0.27 2.29 1.01 0.22 -0.33 116.67 124.14 1i1n s ASP 195 Ca -0.02 -0.32 -0.09 0.00 0.71 0.00 0.00 52.55 52.83 1i1n s ASP 195 Cb -0.15 -0.87 -0.03 0.00 1.01 0.00 0.00 42.92 42.88 1i1n s ASP 195 CO 0.00 0.29 0.12 -0.75 0.21 0.00 0.00 175.17 175.05 1i1n s LYS 196 N -0.44 3.68 0.88 8.23 2.20 -0.63 -0.96 119.74 132.70 1i1n s LYS 196 Ca 0.05 -0.48 -0.12 0.00 -0.36 0.00 0.00 55.97 55.06 1i1n s LYS 196 Cb -0.12 -3.46 0.12 0.00 -1.51 0.00 0.00 37.83 32.86 1i1n s LYS 196 CO 0.02 -0.23 1.13 -0.51 -0.36 0.00 0.00 175.35 175.40 1i1n s LEU 197 N 1.66 2.17 0.39 5.43 1.43 0.47 0.38 118.68 130.60 1i1n s LEU 197 Ca 0.06 1.01 0.10 0.00 -1.03 0.00 0.00 54.13 54.27 1i1n s LEU 197 Cb -0.16 -3.40 0.87 0.00 0.03 0.00 0.00 46.19 43.53 1i1n s LEU 197 CO 0.06 -2.37 1.93 -0.61 0.23 0.00 0.00 176.35 175.59 1i1n h GLN 198 N -1.37 0.59 0.00 1.70 4.15 -1.91 0.98 115.11 119.25 1i1n h GLN 198 Ca -0.49 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 58.89 1i1n h GLN 198 Cb 1.32 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.88 1i1n h GLN 198 CO 0.62 0.39 0.00 -0.40 -1.93 0.00 0.00 178.83 177.51 1i1n n ASP 199 N -4.50 0.00 0.00 -0.69 5.75 -1.26 -4.89 116.55 110.96 1i1n n ASP 199 Ca 0.13 -1.14 0.00 0.00 -0.01 0.00 0.00 54.79 53.77 1i1n n ASP 199 Cb 0.37 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.46 1i1n n ASP 199 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1i1n n GLY 200 N 0.93 1.43 3.78 6.12 0.00 0.34 -5.06 105.19 112.72 1i1n n GLY 200 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 1i1n n GLY 200 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1i1n s SER 201 N -2.26 4.77 -0.09 1.61 1.04 -1.26 -4.66 113.70 112.85 1i1n s SER 201 Ca 0.00 1.75 0.02 0.00 0.48 0.00 0.00 55.95 58.20 1i1n s SER 201 Cb 0.00 -2.51 -0.02 0.00 0.10 0.00 0.00 66.02 63.60 1i1n s SER 201 CO 0.00 -1.85 -0.15 -0.63 0.98 0.00 0.00 173.24 171.58 1i1n s ILE 202 N -2.95 2.89 0.05 -1.02 -1.09 -1.26 -0.39 121.20 117.43 1i1n s ILE 202 Ca 0.60 -0.75 0.09 0.00 -2.23 0.00 0.00 60.65 58.37 1i1n s ILE 202 Cb -0.16 -2.17 -0.03 0.00 -1.58 0.00 0.00 42.46 38.52 1i1n s ILE 202 CO 0.56 0.55 -0.25 -0.54 -1.23 0.00 0.00 174.94 174.03 1i1n s LYS 203 N -0.07 1.70 0.03 2.79 1.02 -0.13 -4.97 119.74 120.10 1i1n s LYS 203 Ca -0.03 -1.09 0.03 0.00 0.02 0.00 0.00 55.97 54.89 1i1n s LYS 203 Cb -0.14 -1.88 -0.02 0.00 -0.52 0.00 0.00 37.83 35.27 1i1n s LYS 203 CO 0.04 0.48 -0.09 1.41 -0.92 0.00 0.00 175.35 176.28 1i1n s MET 204 N -1.28 0.60 -0.21 1.68 -2.45 -1.26 -0.61 119.30 115.77 1i1n s MET 204 Ca 0.11 -0.60 -0.19 0.00 -1.25 0.00 0.00 55.69 53.76 1i1n s MET 204 Cb -0.10 -0.49 0.06 0.00 1.25 0.00 0.00 34.83 35.55 1i1n s MET 204 CO 0.02 0.11 0.56 -1.59 1.05 0.00 0.00 175.02 175.18 1i1n s LYS 205 N -1.06 0.65 0.40 4.11 -2.85 -0.71 -5.00 119.74 115.28 1i1n s LYS 205 Ca -0.04 0.80 -0.23 0.00 -1.00 0.00 0.00 55.97 55.50 1i1n s LYS 205 Cb -0.07 0.30 -0.10 0.00 -2.06 0.00 0.00 37.83 35.90 1i1n s LYS 205 CO 0.00 -0.08 0.99 -1.25 0.10 0.00 0.00 175.35 175.11 1i1n s PRO 206 N 0.39 4.24 -0.24 1.78 0.04 -1.26 -0.90 135.00 139.05 1i1n s PRO 206 Ca -0.01 1.33 -0.11 0.00 0.04 0.00 0.00 61.00 62.25 1i1n s PRO 206 Cb -0.04 -2.45 -0.10 0.00 0.04 0.00 0.00 34.50 31.95 1i1n s PRO 206 CO -0.00 -0.04 -0.30 1.28 0.04 0.00 0.00 177.00 177.97 1i1n n LEU 207 N -0.19 1.74 -3.58 -3.56 4.77 0.12 -4.89 117.00 111.40 1i1n n LEU 207 Ca 0.05 0.27 -0.05 0.00 -0.03 0.00 0.00 56.01 56.25 1i1n n LEU 207 Cb 0.51 -0.70 -0.03 0.00 -2.33 0.00 0.00 43.42 40.87 1i1n n LEU 207 CO 0.42 0.51 0.95 0.00 -1.33 0.00 0.00 177.39 177.94 1i1n s MET 208 N -2.44 0.39 0.41 3.23 0.23 -1.23 -5.01 119.30 114.88 1i1n s MET 208 Ca -0.33 -0.09 -0.25 0.00 -1.03 0.00 0.00 55.69 53.98 1i1n s MET 208 Cb 0.13 0.18 -0.08 0.00 -1.53 0.00 0.00 34.83 33.52 1i1n s MET 208 CO 0.42 -0.16 1.22 0.20 -2.03 0.00 0.00 175.02 174.68 1i1n s GLY 209 N -1.95 2.89 0.30 3.16 0.00 -1.26 -1.06 107.32 109.39 1i1n s GLY 209 Ca 0.07 1.08 -0.02 0.00 0.00 0.00 0.00 44.72 45.85 1i1n s GLY 209 CO -0.05 1.61 0.37 -1.34 0.00 0.00 0.00 173.10 173.69 1i1n s VAL 210 N -1.36 0.00 -0.11 1.40 -7.23 -0.67 -4.82 120.40 107.61 1i1n s VAL 210 Ca 0.58 -1.73 -0.03 0.00 -1.81 0.00 0.00 61.98 58.99 1i1n s VAL 210 Cb -0.34 -2.52 0.04 0.00 0.56 0.00 0.00 36.38 34.13 1i1n s VAL 210 CO 0.42 0.00 0.06 -0.63 -0.31 0.00 0.00 175.10 174.64 1i1n s ILE 211 N -3.50 0.05 0.25 -0.62 1.01 -1.26 -3.80 121.20 113.33 1i1n s ILE 211 Ca 0.33 0.05 0.02 0.00 0.00 0.00 0.00 60.65 61.05 1i1n s ILE 211 Cb 0.02 -0.47 -0.05 0.00 0.01 0.00 0.00 42.46 41.96 1i1n s ILE 211 CO 0.18 -0.02 0.06 -0.31 0.00 0.00 0.00 174.94 174.85 1i1n s TYR 212 N 2.09 1.57 0.64 3.97 1.51 -1.26 -5.10 117.35 120.76 1i1n s TYR 212 Ca 0.03 -1.08 -0.12 0.00 -1.01 0.00 0.00 57.07 54.90 1i1n s TYR 212 Cb -0.14 -0.93 -0.02 0.00 -0.11 0.00 0.00 41.96 40.75 1i1n s TYR 212 CO -0.06 -0.21 1.04 0.14 -1.11 0.00 0.00 175.55 175.35 1i1n s VAL 213 N -3.61 4.35 0.30 0.71 -7.23 -1.26 -4.64 120.40 109.02 1i1n s VAL 213 Ca 0.34 0.82 -0.29 0.00 -1.81 0.00 0.00 61.98 61.04 1i1n s VAL 213 Cb 0.07 -3.63 -0.10 0.00 0.56 0.00 0.00 36.38 33.28 1i1n s VAL 213 CO 0.12 -0.94 1.20 -2.84 -0.31 0.00 0.00 175.10 172.33 1i1n s PRO 214 N -4.95 4.50 -0.54 4.82 0.02 -1.26 -0.23 135.00 137.36 1i1n s PRO 214 Ca 0.57 2.01 -0.18 0.00 0.02 0.00 0.00 61.00 63.41 1i1n s PRO 214 Cb -0.12 -3.13 0.08 0.00 0.02 0.00 0.00 34.50 31.34 1i1n s PRO 214 CO 0.51 0.01 0.63 -1.17 -0.33 0.00 0.00 177.00 176.65 1i1n s LEU 215 N -1.55 5.29 0.00 -5.54 2.96 0.10 -4.63 118.68 115.31 1i1n s LEU 215 Ca 0.47 -1.24 0.00 0.00 -0.22 0.00 0.00 54.13 53.14 1i1n s LEU 215 Cb -0.36 -2.34 0.00 0.00 0.50 0.00 0.00 46.19 43.99 1i1n s LEU 215 CO 0.46 -0.97 0.00 1.07 -1.32 0.00 0.00 176.35 175.60 1i1n n THR 216 N 5.53 0.00 -2.36 3.68 5.66 -1.26 -4.59 114.28 120.93 1i1n n THR 216 Ca -0.09 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.52 1i1n n THR 216 Cb 0.44 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.18 1i1n n THR 216 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1i1n s ASP 217 N -0.02 6.96 0.17 1.09 1.01 -1.26 -4.95 116.67 119.67 1i1n s ASP 217 Ca 0.00 2.36 -0.17 0.00 0.71 0.00 0.00 52.55 55.46 1i1n s ASP 217 Cb 0.00 -2.63 0.10 0.00 1.01 0.00 0.00 42.92 41.41 1i1n s ASP 217 CO 0.00 -0.37 1.67 0.50 0.21 0.00 0.00 175.17 177.18 1i1n h LYS 218 N 3.37 0.01 0.00 8.23 3.11 -1.94 -2.00 116.57 127.36 1i1n h LYS 218 Ca -0.48 -0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.35 1i1n h LYS 218 Cb 1.22 -0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.45 1i1n h LYS 218 CO 0.65 0.01 -0.04 0.93 -2.81 0.00 0.00 179.45 178.19 1i1n h GLU 219 N 0.01 0.00 0.00 1.90 4.39 -1.93 0.99 114.58 119.94 1i1n h GLU 219 Ca 0.20 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.80 1i1n h GLU 219 Cb 0.30 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 1i1n h GLU 219 CO -0.41 0.04 -0.46 0.87 -1.16 0.00 0.00 179.01 177.89 1i1n h LYS 220 N 0.00 0.00 0.03 2.33 1.57 -1.75 -3.33 116.57 115.42 1i1n h LYS 220 Ca -0.00 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.46 1i1n h LYS 220 Cb 0.07 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.35 1i1n h LYS 220 CO 0.01 0.46 -1.76 0.94 -0.57 0.00 0.00 179.45 178.53 1i1n n GLN 221 N -3.59 0.62 -3.62 3.15 7.27 -0.70 -4.91 117.38 115.59 1i1n n GLN 221 Ca -0.00 0.42 -0.21 0.00 0.07 0.00 0.00 57.00 57.27 1i1n n GLN 221 Cb 0.56 -1.68 -0.16 0.00 2.41 0.00 0.00 30.24 31.37 1i1n n GLN 221 CO 0.00 0.00 0.00 -0.46 0.07 0.00 0.00 177.06 176.67 1i1n s TRP 222 N -2.45 -0.01 -0.15 3.69 -0.11 0.26 -4.67 118.94 115.50 1i1n s TRP 222 Ca -0.30 0.15 0.14 0.00 1.22 0.00 0.00 56.10 57.32 1i1n s TRP 222 Cb 0.08 -0.48 0.37 0.00 -1.50 0.00 0.00 33.47 31.94 1i1n s TRP 222 CO 0.61 -0.38 1.19 -1.13 -4.62 0.00 0.00 176.95 172.62 1i1n n SER 223 N 5.30 1.68 -4.69 5.86 3.41 -1.25 -4.08 113.62 119.85 1i1n n SER 223 Ca -0.05 -3.38 -0.42 0.00 -0.26 0.00 0.00 58.87 54.76 1i1n n SER 223 Cb 0.50 -0.46 -0.03 0.00 -0.26 0.00 0.00 64.21 63.96 1i1n n SER 223 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1i1n s ARG 224 N -2.57 4.29 0.00 4.33 3.52 -1.26 -5.12 118.95 122.14 1i1n s ARG 224 Ca 0.34 1.91 0.00 0.00 -0.13 0.00 0.00 55.73 57.85 1i1n s ARG 224 Cb 0.33 -3.58 0.00 0.00 -1.56 0.00 0.00 34.95 30.14 1i1n s ARG 224 CO -0.06 -0.56 0.42 -2.67 -0.81 0.00 0.00 175.30 171.62