#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i9l n ALA 5 N 0.00 2.50 0.17 0.00 0.00 -1.26 -3.74 120.51 118.18 2i9l n ALA 5 Ca 0.00 -0.91 0.10 0.00 0.00 0.00 0.00 53.44 52.63 2i9l n ALA 5 Cb 0.00 -0.97 0.09 0.00 0.00 0.00 0.00 19.45 18.57 2i9l n ALA 5 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2i9l h SER 6 N 2.93 0.00 -0.53 0.00 4.64 -2.04 -3.04 113.55 115.50 2i9l h SER 6 Ca 0.00 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.36 2i9l h SER 6 Cb 0.74 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.80 2i9l h SER 6 CO 0.03 0.08 0.35 0.40 -0.87 0.00 0.00 176.83 176.82 2i9l h ILE 7 N 0.00 1.02 0.04 0.95 1.08 -1.98 0.50 117.51 119.13 2i9l h ILE 7 Ca -0.01 -0.19 -0.26 0.00 -0.39 0.00 0.00 64.86 64.01 2i9l h ILE 7 Cb 1.07 0.43 0.02 0.00 -3.07 0.00 0.00 36.82 35.26 2i9l h ILE 7 CO 0.01 0.10 -1.08 -0.61 -0.69 0.00 0.00 178.15 175.88 2i9l h GLN 8 N 0.55 0.56 -0.62 2.37 5.75 -1.81 -1.96 115.11 119.95 2i9l h GLN 8 Ca 0.22 -0.66 0.09 0.00 -0.15 0.00 0.00 58.65 58.15 2i9l h GLN 8 Cb 0.19 0.20 -0.07 0.00 1.07 0.00 0.00 27.48 28.87 2i9l h GLN 8 CO -0.06 1.27 0.25 1.15 -2.65 0.00 0.00 178.83 178.79 2i9l h THR 9 N 0.29 0.79 0.45 2.39 2.02 -0.67 -1.00 112.91 117.18 2i9l h THR 9 Ca -0.13 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 66.87 2i9l h THR 9 Cb 1.74 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 68.46 2i9l h THR 9 CO 0.20 0.08 -0.22 0.74 0.37 0.00 0.00 175.52 176.70 2i9l h THR 10 N 0.45 0.47 -0.63 3.16 2.02 -0.07 -1.61 112.91 116.71 2i9l h THR 10 Ca 0.31 -0.43 0.17 0.00 0.77 0.00 0.00 66.41 67.23 2i9l h THR 10 Cb 0.37 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 2i9l h THR 10 CO -0.29 0.07 0.44 -0.37 0.37 0.00 0.00 175.52 175.74 2i9l h VAL 11 N -0.89 0.72 -0.05 3.16 -1.51 -1.09 0.23 116.25 116.83 2i9l h VAL 11 Ca -0.06 -0.03 -0.21 0.00 -1.23 0.00 0.00 66.70 65.16 2i9l h VAL 11 Cb 0.57 0.63 0.00 0.00 -2.13 0.00 0.00 31.29 30.36 2i9l h VAL 11 CO 0.10 0.02 -0.85 0.78 -1.23 0.00 0.00 177.57 176.39 2i9l h ASN 12 N 0.09 0.61 -0.31 4.19 -0.26 -1.06 0.25 115.58 119.09 2i9l h ASN 12 Ca 0.30 -0.44 -0.01 0.00 -0.56 0.00 0.00 56.30 55.59 2i9l h ASN 12 Cb 1.07 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 38.13 2i9l h ASN 12 CO -0.03 1.22 0.15 0.74 -1.06 0.00 0.00 177.43 178.45 2i9l h THR 13 N 0.31 1.16 0.52 2.81 2.02 0.34 -1.75 112.91 118.32 2i9l h THR 13 Ca -0.06 -0.45 -0.03 0.00 0.77 0.00 0.00 66.41 66.65 2i9l h THR 13 Cb 1.46 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 68.75 2i9l h THR 13 CO 0.15 0.16 -0.25 0.25 0.37 0.00 0.00 175.52 176.20 2i9l h LEU 14 N 0.37 -0.60 -1.21 2.58 5.85 -0.76 0.33 115.31 121.87 2i9l h LEU 14 Ca 0.11 0.02 0.20 0.00 0.84 0.00 0.00 57.88 59.05 2i9l h LEU 14 Cb 0.12 0.16 -0.09 0.00 0.37 0.00 0.00 40.66 41.21 2i9l h LEU 14 CO -0.01 -0.43 0.61 -1.28 -0.34 0.00 0.00 178.44 176.99 2i9l h SER 15 N -0.70 0.64 0.08 1.25 0.87 -0.81 0.34 113.55 115.22 2i9l h SER 15 Ca -0.07 0.08 -0.18 0.00 -1.23 0.00 0.00 61.79 60.38 2i9l h SER 15 Cb 0.54 -0.04 0.02 0.00 -0.44 0.00 0.00 62.40 62.48 2i9l h SER 15 CO 0.11 0.23 -0.77 1.05 -0.53 0.00 0.00 176.83 176.93 2i9l h GLU 16 N 0.63 0.38 -0.43 2.24 -0.00 -1.07 -2.15 114.58 114.17 2i9l h GLU 16 Ca 0.54 -0.52 -0.01 0.00 -0.00 0.00 0.00 59.36 59.38 2i9l h GLU 16 Cb 1.03 0.17 -0.02 0.00 -0.00 0.00 0.00 28.75 29.93 2i9l h GLU 16 CO -0.30 1.20 0.24 0.00 -0.00 0.00 0.00 179.01 180.15 2i9l h ARG 17 N -0.19 0.58 0.42 1.06 3.08 0.08 0.25 114.38 119.66 2i9l h ARG 17 Ca -0.12 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.86 2i9l h ARG 17 Cb 1.53 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.47 2i9l h ARG 17 CO 0.15 0.42 -0.20 0.82 -1.07 0.00 0.00 179.97 180.08 2i9l h ILE 18 N 0.59 0.00 -1.12 2.04 2.04 -0.40 -1.29 117.51 119.36 2i9l h ILE 18 Ca 0.15 -0.45 0.32 0.00 1.00 0.00 0.00 64.86 65.88 2i9l h ILE 18 Cb 0.00 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 35.98 2i9l h ILE 18 CO -0.03 0.00 0.72 -1.28 0.00 0.00 0.00 178.15 177.57 2i9l h SER 19 N -1.02 0.38 0.10 1.72 0.87 -1.18 -1.29 113.55 113.12 2i9l h SER 19 Ca -0.06 0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 60.60 2i9l h SER 19 Cb 0.43 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 2i9l h SER 19 CO 0.10 -0.00 -0.05 -1.28 -0.53 0.00 0.00 176.83 175.07 2i9l h SER 20 N 0.29 -0.11 -0.11 6.23 0.87 -0.46 -3.13 113.55 117.13 2i9l h SER 20 Ca 0.66 -0.45 -0.05 0.00 -1.23 0.00 0.00 61.79 60.72 2i9l h SER 20 Cb 1.84 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 63.81 2i9l h SER 20 CO -0.33 0.44 -0.08 0.11 -0.53 0.00 0.00 176.83 176.44 2i9l h LYS 21 N -0.72 0.40 -0.85 2.24 1.57 -0.31 -1.52 116.57 117.38 2i9l h LYS 21 Ca -0.01 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 2i9l h LYS 21 Cb 0.55 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.77 2i9l h LYS 21 CO 0.02 0.49 0.44 -0.07 -0.57 0.00 0.00 179.45 179.76 2i9l h LEU 22 N 0.38 1.08 -0.54 2.94 3.38 -1.37 1.05 115.31 122.23 2i9l h LEU 22 Ca 0.08 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 2i9l h LEU 22 Cb 0.38 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2i9l h LEU 22 CO 0.02 0.89 -0.00 -0.08 0.09 0.00 0.00 178.44 179.35 2i9l h GLU 23 N 1.20 0.95 0.00 1.13 4.81 -1.32 -1.78 114.58 119.57 2i9l h GLU 23 Ca 0.30 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2i9l h GLU 23 Cb 0.07 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.36 2i9l h GLU 23 CO -0.04 0.97 0.00 1.04 -0.73 0.00 0.00 179.01 180.24 2i9l n GLN 24 N -4.27 0.00 0.00 1.92 6.02 -0.64 -2.79 117.38 117.62 2i9l n GLN 24 Ca 0.02 0.45 0.02 0.00 -0.01 0.00 0.00 57.00 57.47 2i9l n GLN 24 Cb 0.33 -0.95 0.10 0.00 1.02 0.00 0.00 30.24 30.75 2i9l n GLN 24 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2i9l n GLU 25 N -1.85 0.24 0.00 -1.09 1.02 0.36 -3.51 120.64 115.80 2i9l n GLU 25 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2i9l n GLU 25 Cb 0.00 -1.23 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 2i9l n GLU 25 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2i9l n ALA 26 N -0.73 0.88 -3.73 0.62 0.00 -0.82 -4.72 120.51 112.01 2i9l n ALA 26 Ca 0.03 -0.04 -0.25 0.00 0.00 0.00 0.00 53.44 53.17 2i9l n ALA 26 Cb 0.01 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.51 2i9l n ALA 26 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2i9l n ASN 27 N 0.00 -4.56 -4.88 0.00 3.02 -1.05 -4.74 115.26 103.05 2i9l n ASN 27 Ca 0.00 -0.69 -0.30 0.00 -0.03 0.00 0.00 54.58 53.57 2i9l n ASN 27 Cb 0.47 -4.43 -0.03 0.00 -0.61 0.00 0.00 39.78 35.18 2i9l n ASN 27 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2i9l s ALA 28 N -3.37 3.42 0.17 5.41 0.00 -0.73 -4.77 121.76 121.90 2i9l s ALA 28 Ca 0.48 -0.31 -0.17 0.00 0.00 0.00 0.00 51.96 51.95 2i9l s ALA 28 Cb -0.23 -2.59 0.03 0.00 0.00 0.00 0.00 23.12 20.33 2i9l s ALA 28 CO 0.78 0.03 0.49 0.45 0.00 0.00 0.00 175.76 177.52 2i9l s SER 29 N -3.22 -0.27 0.11 0.00 0.15 -1.11 -4.24 113.70 105.11 2i9l s SER 29 Ca 0.49 -0.41 0.19 0.00 0.70 0.00 0.00 55.95 56.92 2i9l s SER 29 Cb -0.10 0.55 0.79 0.00 -1.71 0.00 0.00 66.02 65.55 2i9l s SER 29 CO 0.32 -0.99 1.59 0.00 1.20 0.00 0.00 173.24 175.35 2i9l n ALA 30 N -0.31 1.71 -1.55 5.45 0.00 -1.26 -3.19 120.51 121.36 2i9l n ALA 30 Ca -0.12 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.39 2i9l n ALA 30 Cb 0.63 -1.31 0.16 0.00 0.00 0.00 0.00 19.45 18.92 2i9l n ALA 30 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2i9l n GLN 31 N -1.81 1.24 -3.74 0.00 6.02 -1.26 -4.92 117.38 112.91 2i9l n GLN 31 Ca 0.03 -2.81 -0.37 0.00 -0.01 0.00 0.00 57.00 53.84 2i9l n GLN 31 Cb 0.21 -1.35 -0.06 0.00 1.02 0.00 0.00 30.24 30.05 2i9l n GLN 31 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2i9l s THR 32 N -2.61 5.37 0.45 5.09 2.01 -1.19 -5.06 115.64 119.70 2i9l s THR 32 Ca 0.33 0.39 -0.21 0.00 0.31 0.00 0.00 61.69 62.51 2i9l s THR 32 Cb 0.32 -3.50 -0.13 0.00 0.01 0.00 0.00 72.50 69.21 2i9l s THR 32 CO -0.04 0.57 0.41 1.17 -0.69 0.00 0.00 174.62 176.03 2i9l n LYS 33 N 2.24 0.41 -4.25 4.92 3.00 -1.26 -4.52 118.16 118.71 2i9l n LYS 33 Ca -0.17 0.15 -0.32 0.00 -0.00 0.00 0.00 58.31 57.97 2i9l n LYS 33 Cb 0.54 -1.41 -0.16 0.00 0.00 0.00 0.00 35.03 33.99 2i9l n LYS 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2i9l h ASP 35 N 7.79 -0.27 -3.26 0.00 3.32 -1.88 -3.43 116.42 118.68 2i9l h ASP 35 Ca -0.41 0.01 -0.57 0.00 0.02 0.00 0.00 57.03 56.08 2i9l h ASP 35 Cb 1.15 0.07 -0.05 0.00 0.22 0.00 0.00 39.33 40.72 2i9l h ASP 35 CO 0.59 -0.11 -0.03 -0.63 -1.72 0.00 0.00 179.24 177.35 2i9l s ILE 36 N -2.93 4.80 0.13 0.35 1.09 -0.16 -4.84 121.20 119.63 2i9l s ILE 36 Ca -0.05 1.22 0.10 0.00 -1.10 0.00 0.00 60.65 60.83 2i9l s ILE 36 Cb 0.00 -3.91 -0.04 0.00 -1.06 0.00 0.00 42.46 37.46 2i9l s ILE 36 CO 0.14 0.51 -0.25 -1.61 -0.10 0.00 0.00 174.94 173.63 2i9l s GLU 37 N -0.79 1.32 0.09 2.79 2.02 -0.30 -4.41 118.70 119.43 2i9l s GLU 37 Ca 0.30 -1.31 -0.24 0.00 0.02 0.00 0.00 54.97 53.73 2i9l s GLU 37 Cb -0.19 -1.73 -0.06 0.00 0.10 0.00 0.00 34.13 32.25 2i9l s GLU 37 CO 0.18 0.40 0.75 0.42 0.02 0.00 0.00 175.26 177.03 2i9l s ILE 38 N -1.18 4.60 0.00 -1.63 -1.09 -1.26 -0.71 121.20 119.93 2i9l s ILE 38 Ca 0.12 1.61 0.00 0.00 -2.23 0.00 0.00 60.65 60.16 2i9l s ILE 38 Cb -0.10 -4.10 0.00 0.00 -1.58 0.00 0.00 42.46 36.68 2i9l s ILE 38 CO 0.06 0.44 0.00 0.61 -1.23 0.00 0.00 174.94 174.82 2i9l n GLY 39 N 2.04 0.21 3.71 6.18 0.00 0.79 -4.79 105.19 113.34 2i9l n GLY 39 Ca -0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 2i9l n GLY 39 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2i9l s ASN 40 N -1.00 6.76 -0.26 1.61 0.01 -1.26 -4.93 114.94 115.87 2i9l s ASN 40 Ca 0.00 0.91 0.02 0.00 -0.71 0.00 0.00 52.86 53.08 2i9l s ASN 40 Cb 0.00 -2.33 0.07 0.00 0.41 0.00 0.00 41.25 39.40 2i9l s ASN 40 CO 0.00 -0.08 -0.05 0.12 -1.51 0.00 0.00 177.10 175.58 2i9l s PHE 41 N 0.90 2.80 0.29 2.20 5.36 -1.26 -0.90 117.98 127.38 2i9l s PHE 41 Ca 0.29 -2.08 -0.08 0.00 -0.96 0.00 0.00 56.93 54.10 2i9l s PHE 41 Cb -0.16 -1.84 0.00 0.00 -0.34 0.00 0.00 43.02 40.68 2i9l s PHE 41 CO 0.12 -0.83 0.48 1.52 -1.46 0.00 0.00 175.22 175.05 2i9l s TYR 42 N 1.25 0.67 0.00 10.12 -0.85 -0.73 -4.99 117.35 122.82 2i9l s TYR 42 Ca -0.04 -0.99 0.08 0.00 -0.52 0.00 0.00 57.07 55.59 2i9l s TYR 42 Cb -0.19 0.09 -0.03 0.00 0.38 0.00 0.00 41.96 42.21 2i9l s TYR 42 CO -0.07 -1.07 -0.23 0.42 -1.52 0.00 0.00 175.55 173.08 2i9l s ILE 43 N -3.51 2.36 0.02 -3.49 1.01 -1.26 -2.37 121.20 113.96 2i9l s ILE 43 Ca 0.26 -1.14 -0.28 0.00 0.00 0.00 0.00 60.65 59.48 2i9l s ILE 43 Cb -0.00 -1.90 -0.16 0.00 0.01 0.00 0.00 42.46 40.41 2i9l s ILE 43 CO 0.14 0.48 1.19 0.03 0.00 0.00 0.00 174.94 176.78 2i9l h ARG 44 N 5.10 -0.98 -3.43 2.79 2.47 -1.66 -3.35 114.38 115.31 2i9l h ARG 44 Ca -0.45 0.07 -0.74 0.00 -1.26 0.00 0.00 59.98 57.59 2i9l h ARG 44 Cb 1.14 0.22 -0.32 0.00 -1.65 0.00 0.00 29.97 29.36 2i9l h ARG 44 CO 0.47 -0.66 0.10 -0.65 0.56 0.00 0.00 179.97 179.79 2i9l s GLN 45 N -4.88 3.59 -0.77 0.04 -0.21 -0.60 -4.97 119.66 111.85 2i9l s GLN 45 Ca -0.15 -3.20 -0.22 0.00 0.02 0.00 0.00 55.36 51.81 2i9l s GLN 45 Cb 0.01 -4.18 0.09 0.00 1.00 0.00 0.00 33.01 29.93 2i9l s GLN 45 CO 0.45 -1.25 1.06 1.21 -2.12 0.00 0.00 175.29 174.64 2i9l s ASN 46 N 0.49 6.33 -0.84 5.90 3.84 -1.26 -2.45 114.94 126.95 2i9l s ASN 46 Ca 0.28 -1.32 -0.01 0.00 0.21 0.00 0.00 52.86 52.02 2i9l s ASN 46 Cb -0.09 -2.43 0.35 0.00 -0.55 0.00 0.00 41.25 38.53 2i9l s ASN 46 CO -0.10 -1.35 1.90 1.41 -2.79 0.00 0.00 177.10 176.16 2i9l n HIS 47 N 7.52 3.00 0.00 0.43 8.25 -0.13 -4.74 115.22 129.55 2i9l n HIS 47 Ca 0.08 -2.46 0.00 0.00 -0.26 0.00 0.00 57.72 55.07 2i9l n HIS 47 Cb 0.47 -1.09 0.00 0.00 1.12 0.00 0.00 29.99 30.49 2i9l n HIS 47 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2i9l n GLY 48 N -0.44 0.80 2.93 -1.41 0.00 -1.26 -1.69 105.19 104.13 2i9l n GLY 48 Ca 0.51 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.26 2i9l n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i9l s ASN 50 N 1.55 6.51 -0.02 0.00 0.01 0.23 -4.94 114.94 118.28 2i9l s ASN 50 Ca 0.02 0.61 0.01 0.00 -0.71 0.00 0.00 52.86 52.79 2i9l s ASN 50 Cb -0.13 -2.25 -0.04 0.00 0.41 0.00 0.00 41.25 39.25 2i9l s ASN 50 CO -0.07 -0.06 -0.00 -0.76 -1.51 0.00 0.00 177.10 174.70 2i9l s LEU 51 N 1.11 3.51 -0.02 0.60 1.43 -1.26 -0.41 118.68 123.65 2i9l s LEU 51 Ca 0.21 0.02 -0.08 0.00 -1.03 0.00 0.00 54.13 53.25 2i9l s LEU 51 Cb -0.15 -1.97 0.01 0.00 0.03 0.00 0.00 46.19 44.11 2i9l s LEU 51 CO 0.08 0.30 0.16 0.28 0.23 0.00 0.00 176.35 177.41 2i9l s THR 52 N -1.04 0.06 -0.09 5.49 -1.32 -0.47 -4.98 115.64 113.29 2i9l s THR 52 Ca 0.18 -0.47 0.01 0.00 -1.21 0.00 0.00 61.69 60.20 2i9l s THR 52 Cb -0.11 -0.40 -0.02 0.00 -1.51 0.00 0.00 72.50 70.46 2i9l s THR 52 CO 0.08 -0.26 -0.12 -0.69 -2.21 0.00 0.00 174.62 171.42 2i9l s VAL 53 N -0.95 3.20 -0.06 5.08 1.01 -1.26 -0.19 120.40 127.23 2i9l s VAL 53 Ca -0.10 -0.64 0.04 0.00 0.00 0.00 0.00 61.98 61.28 2i9l s VAL 53 Cb -0.06 -2.31 -0.00 0.00 0.00 0.00 0.00 36.38 34.01 2i9l s VAL 53 CO 0.01 0.56 -0.20 -0.75 0.00 0.00 0.00 175.10 174.73 2i9l s LYS 54 N -0.24 2.17 -0.16 2.72 2.20 0.59 -4.92 119.74 122.09 2i9l s LYS 54 Ca 0.02 -0.70 -0.18 0.00 -0.36 0.00 0.00 55.97 54.74 2i9l s LYS 54 Cb -0.13 -1.81 -0.04 0.00 -1.51 0.00 0.00 37.83 34.35 2i9l s LYS 54 CO 0.03 0.24 0.50 -0.80 -0.36 0.00 0.00 175.35 174.96 2i9l s ASN 55 N 0.11 6.62 -0.34 1.43 0.01 -1.26 0.77 114.94 122.28 2i9l s ASN 55 Ca -0.07 0.74 0.16 0.00 -0.71 0.00 0.00 52.86 52.98 2i9l s ASN 55 Cb -0.14 -2.29 0.42 0.00 0.41 0.00 0.00 41.25 39.66 2i9l s ASN 55 CO 0.04 -0.10 0.89 0.80 -1.51 0.00 0.00 177.10 177.22 2i9l n MET 56 N 4.27 1.09 -2.51 -0.60 1.56 -0.28 -4.24 117.12 116.42 2i9l n MET 56 Ca -0.06 -3.25 -0.33 0.00 -0.27 0.00 0.00 57.70 53.79 2i9l n MET 56 Cb 0.51 -1.36 -0.04 0.00 2.15 0.00 0.00 33.22 34.48 2i9l n MET 56 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2i9l s SER 58 N -2.38 -0.17 -0.03 0.00 1.04 -1.06 -2.75 113.70 108.35 2i9l s SER 58 Ca 0.64 -0.75 0.10 0.00 0.48 0.00 0.00 55.95 56.41 2i9l s SER 58 Cb -0.13 0.63 -0.23 0.00 0.10 0.00 0.00 66.02 66.39 2i9l s SER 58 CO 0.23 -1.20 0.72 0.00 0.98 0.00 0.00 173.24 173.98 2i9l h ALA 59 N 2.16 0.67 -1.08 5.32 0.00 -1.89 -3.44 119.26 121.00 2i9l h ALA 59 Ca -0.24 -1.38 -0.56 0.00 0.00 0.00 0.00 54.91 52.73 2i9l h ALA 59 Cb 1.25 0.42 -0.09 0.00 0.00 0.00 0.00 17.79 19.37 2i9l h ALA 59 CO 0.32 1.51 1.39 0.34 0.00 0.00 0.00 179.25 182.80 2i9l s ASP 60 N -6.29 6.32 0.32 0.00 -1.08 -1.26 -4.88 116.67 109.80 2i9l s ASP 60 Ca -0.06 -1.29 0.07 0.00 -0.52 0.00 0.00 52.55 50.76 2i9l s ASP 60 Cb 0.08 -2.57 0.78 0.00 -1.46 0.00 0.00 42.92 39.75 2i9l s ASP 60 CO 0.82 -1.68 1.80 0.00 0.52 0.00 0.00 175.17 176.63 2i9l h ALA 61 N 10.02 1.75 -0.02 3.66 0.00 -1.98 -1.60 119.26 131.09 2i9l h ALA 61 Ca 0.16 0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.95 2i9l h ALA 61 Cb 1.01 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2i9l h ALA 61 CO 1.39 -0.09 -0.77 -0.44 0.00 0.00 0.00 179.25 179.34 2i9l h ASP 62 N 0.73 0.24 -0.39 0.00 5.19 -1.99 -0.63 116.42 119.57 2i9l h ASP 62 Ca 0.55 -0.17 -0.09 0.00 -0.62 0.00 0.00 57.03 56.70 2i9l h ASP 62 Cb 0.89 -0.07 -0.02 0.00 0.18 0.00 0.00 39.33 40.31 2i9l h ASP 62 CO -0.33 0.92 -0.07 0.00 -3.12 0.00 0.00 179.24 176.64 2i9l h ALA 63 N 1.07 1.00 0.85 3.45 0.00 -1.66 -1.80 119.26 122.17 2i9l h ALA 63 Ca -0.03 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 2i9l h ALA 63 Cb 1.35 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.97 2i9l h ALA 63 CO 0.12 0.60 -0.41 1.96 0.00 0.00 0.00 179.25 181.52 2i9l h GLN 64 N 0.74 -1.11 -0.94 0.00 4.20 -1.09 -1.69 115.11 115.22 2i9l h GLN 64 Ca 0.13 0.08 0.23 0.00 0.06 0.00 0.00 58.65 59.15 2i9l h GLN 64 Cb 0.56 0.25 -0.07 0.00 0.30 0.00 0.00 27.48 28.52 2i9l h GLN 64 CO 0.03 -0.73 0.63 1.25 -0.67 0.00 0.00 178.83 179.34 2i9l h LEU 65 N -1.28 0.35 -0.14 1.46 6.46 -1.04 0.14 115.31 121.27 2i9l h LEU 65 Ca -0.12 0.04 -0.23 0.00 -0.12 0.00 0.00 57.88 57.45 2i9l h LEU 65 Cb 0.88 -0.02 0.01 0.00 -0.73 0.00 0.00 40.66 40.81 2i9l h LEU 65 CO 0.19 0.12 -0.85 0.44 -0.62 0.00 0.00 178.44 177.72 2i9l h ASP 66 N 0.34 0.90 -0.12 1.25 3.32 -1.15 -2.63 116.42 118.32 2i9l h ASP 66 Ca 0.50 -0.63 -0.00 0.00 0.02 0.00 0.00 57.03 56.92 2i9l h ASP 66 Cb 1.36 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 2i9l h ASP 66 CO -0.18 1.42 0.07 0.00 -1.72 0.00 0.00 179.24 178.84 2i9l h ALA 67 N 0.55 0.15 0.33 3.45 0.00 0.18 -0.97 119.26 122.94 2i9l h ALA 67 Ca -0.07 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2i9l h ALA 67 Cb 1.48 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 2i9l h ALA 67 CO 0.17 -0.34 -0.30 0.28 0.00 0.00 0.00 179.25 179.06 2i9l h VAL 68 N 0.13 0.38 -0.83 0.00 2.07 -1.16 0.60 116.25 117.45 2i9l h VAL 68 Ca 0.04 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.68 2i9l h VAL 68 Cb 0.02 0.38 -0.08 0.00 -1.52 0.00 0.00 31.29 30.09 2i9l h VAL 68 CO -0.01 0.00 0.44 -0.07 0.02 0.00 0.00 177.57 177.95 2i9l h LEU 69 N -0.64 0.57 0.39 2.57 3.38 -1.40 -0.77 115.31 119.41 2i9l h LEU 69 Ca -0.02 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2i9l h LEU 69 Cb 0.58 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 2i9l h LEU 69 CO -0.04 0.28 -0.45 -1.28 0.09 0.00 0.00 178.44 177.04 2i9l h SER 70 N 0.68 -1.26 -0.43 -0.43 0.87 -0.43 0.16 113.55 112.71 2i9l h SER 70 Ca 0.43 0.11 0.09 0.00 -1.23 0.00 0.00 61.79 61.18 2i9l h SER 70 Cb 0.52 0.42 -0.09 0.00 -0.44 0.00 0.00 62.40 62.81 2i9l h SER 70 CO -0.31 -0.57 -0.20 0.00 -0.53 0.00 0.00 176.83 175.21 2i9l h ALA 71 N -0.95 0.11 -0.96 6.23 0.00 -0.31 0.21 119.26 123.60 2i9l h ALA 71 Ca -0.05 0.15 0.13 0.00 0.00 0.00 0.00 54.91 55.14 2i9l h ALA 71 Cb 0.75 0.50 -0.08 0.00 0.00 0.00 0.00 17.79 18.96 2i9l h ALA 71 CO -0.09 -0.56 0.61 0.00 0.00 0.00 0.00 179.25 179.21 2i9l h ALA 72 N 1.18 1.63 -0.19 0.00 0.00 -0.94 0.13 119.26 121.07 2i9l h ALA 72 Ca 0.21 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.01 2i9l h ALA 72 Cb 0.44 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2i9l h ALA 72 CO -0.51 0.13 -0.35 1.15 0.00 0.00 0.00 179.25 179.67 2i9l h THR 73 N 0.89 1.33 0.43 0.00 2.02 0.10 -1.58 112.91 116.10 2i9l h THR 73 Ca 0.47 -1.58 -0.01 0.00 0.77 0.00 0.00 66.41 66.06 2i9l h THR 73 Cb 0.56 1.87 -0.01 0.00 -1.74 0.00 0.00 68.15 68.83 2i9l h THR 73 CO -0.24 0.49 -0.28 -0.08 0.37 0.00 0.00 175.52 175.78 2i9l h GLU 74 N 0.25 -0.66 -0.33 6.66 4.81 0.20 -1.10 114.58 124.41 2i9l h GLU 74 Ca 0.01 0.05 0.07 0.00 -0.13 0.00 0.00 59.36 59.36 2i9l h GLU 74 Cb 0.95 0.15 -0.08 0.00 0.63 0.00 0.00 28.75 30.40 2i9l h GLU 74 CO 0.08 -0.44 -0.30 1.15 -0.73 0.00 0.00 179.01 178.77 2i9l h THR 75 N -0.69 0.29 -0.74 0.32 2.02 -0.79 -0.83 112.91 112.48 2i9l h THR 75 Ca -0.05 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.20 2i9l h THR 75 Cb 0.57 0.29 -0.05 0.00 -1.74 0.00 0.00 68.15 67.22 2i9l h THR 75 CO 0.04 0.00 0.49 0.22 0.37 0.00 0.00 175.52 176.64 2i9l h TYR 76 N -0.26 0.78 0.00 3.16 3.20 -1.17 0.15 116.97 122.82 2i9l h TYR 76 Ca 0.16 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.05 2i9l h TYR 76 Cb 0.52 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.53 2i9l h TYR 76 CO -0.48 0.41 0.00 0.77 -1.64 0.00 0.00 178.16 177.22 2i9l h SER 77 N 0.76 0.00 1.78 -2.11 0.02 0.16 -2.54 113.55 111.63 2i9l h SER 77 Ca 0.32 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 2i9l h SER 77 Cb 0.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.82 2i9l h SER 77 CO -0.11 0.00 -0.10 1.23 -1.14 0.00 0.00 176.83 176.71 2i9l h GLY 78 N 2.10 0.00 -1.48 -3.77 0.00 -0.03 -3.46 103.07 96.43 2i9l h GLY 78 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 2i9l h GLY 78 CO 0.00 0.00 0.33 1.08 0.00 0.00 0.00 176.54 177.95 2i9l s LEU 79 N -5.74 3.15 0.41 3.11 1.43 -0.96 -5.02 118.68 115.06 2i9l s LEU 79 Ca 0.07 1.98 -0.10 0.00 -1.03 0.00 0.00 54.13 55.05 2i9l s LEU 79 Cb 0.07 -4.54 -0.06 0.00 0.03 0.00 0.00 46.19 41.69 2i9l s LEU 79 CO 0.67 -2.07 0.77 0.42 0.23 0.00 0.00 176.35 176.37 2i9l s THR 80 N -2.60 4.80 0.39 5.49 -4.23 -1.26 -4.80 115.64 113.43 2i9l s THR 80 Ca 0.65 0.57 0.18 0.00 -1.18 0.00 0.00 61.69 61.90 2i9l s THR 80 Cb -0.20 -3.75 0.38 0.00 1.34 0.00 0.00 72.50 70.28 2i9l s THR 80 CO 0.51 -0.55 1.74 -0.65 -0.54 0.00 0.00 174.62 175.13 2i9l h PRO 81 N 1.16 0.38 -0.07 3.99 0.11 -1.98 0.42 132.00 136.01 2i9l h PRO 81 Ca -0.47 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 2i9l h PRO 81 Cb 1.19 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 2i9l h PRO 81 CO 0.64 0.25 0.04 1.49 -0.21 0.00 0.00 178.00 180.20 2i9l h GLU 82 N 0.39 0.10 0.16 1.05 4.81 -2.02 -3.01 114.58 116.06 2i9l h GLU 82 Ca 0.64 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.84 2i9l h GLU 82 Cb 1.58 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.94 2i9l h GLU 82 CO -0.36 0.16 -0.08 1.96 -0.73 0.00 0.00 179.01 179.97 2i9l h GLN 83 N 0.02 -0.21 -0.96 1.92 4.20 -0.66 -3.22 115.11 116.19 2i9l h GLN 83 Ca 0.03 0.01 0.29 0.00 0.06 0.00 0.00 58.65 59.04 2i9l h GLN 83 Cb 0.09 0.05 -0.17 0.00 0.30 0.00 0.00 27.48 27.75 2i9l h GLN 83 CO -0.00 0.10 0.19 0.87 -0.67 0.00 0.00 178.83 179.31 2i9l h LYS 84 N -0.54 0.06 -0.92 1.46 1.57 -0.79 -0.83 116.57 116.58 2i9l h LYS 84 Ca -0.02 -0.00 0.27 0.00 -1.87 0.00 0.00 60.65 59.02 2i9l h LYS 84 Cb 0.41 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.67 2i9l h LYS 84 CO 0.04 0.04 0.85 0.00 -0.57 0.00 0.00 179.45 179.81 2i9l h ALA 85 N 1.93 2.77 0.00 3.86 0.00 -1.53 0.26 119.26 126.55 2i9l h ALA 85 Ca 0.63 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.51 2i9l h ALA 85 Cb 1.39 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.25 2i9l h ALA 85 CO -0.82 -1.33 -0.06 1.88 0.00 0.00 0.00 179.25 178.93 2i9l h TYR 86 N 0.00 0.00 -0.14 0.00 0.05 -1.35 -3.37 116.97 112.16 2i9l h TYR 86 Ca 0.44 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.22 2i9l h TYR 86 Cb 2.14 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.87 2i9l h TYR 86 CO 0.00 0.00 0.09 0.28 -1.05 0.00 0.00 178.16 177.48 2i9l h VAL 87 N 0.00 1.03 -1.03 -2.88 2.07 -0.62 -2.94 116.25 111.88 2i9l h VAL 87 Ca 0.00 -0.06 0.26 0.00 0.82 0.00 0.00 66.70 67.72 2i9l h VAL 87 Cb 0.95 0.83 -0.10 0.00 -1.52 0.00 0.00 31.29 31.45 2i9l h VAL 87 CO 0.00 0.03 0.65 -0.65 0.02 0.00 0.00 177.57 177.62 2i9l h PRO 88 N 0.19 0.44 -0.22 1.57 0.11 -1.74 0.23 132.00 132.57 2i9l h PRO 88 Ca 0.05 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.09 2i9l h PRO 88 Cb -0.02 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 30.99 2i9l h PRO 88 CO -0.01 0.29 -0.03 0.00 -0.21 0.00 0.00 178.00 178.04 2i9l h ALA 89 N 1.65 0.30 -0.19 -0.75 0.00 -1.77 -2.58 119.26 115.93 2i9l h ALA 89 Ca 0.61 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 55.32 2i9l h ALA 89 Cb 1.43 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.10 2i9l h ALA 89 CO -0.35 0.06 -0.06 0.52 0.00 0.00 0.00 179.25 179.42 2i9l h MET 90 N 0.16 -0.02 -0.16 0.00 2.86 -0.94 -0.62 114.93 116.19 2i9l h MET 90 Ca 0.06 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.73 2i9l h MET 90 Cb 0.46 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.08 2i9l h MET 90 CO 0.02 -0.02 -0.35 0.74 1.06 0.00 0.00 176.91 178.36 2i9l h PHE 91 N -0.02 -1.06 -0.56 -0.22 -1.00 -1.10 0.18 116.94 113.15 2i9l h PHE 91 Ca 0.10 0.05 0.09 0.00 2.81 0.00 0.00 57.97 61.01 2i9l h PHE 91 Cb 0.17 0.48 -0.03 0.00 3.61 0.00 0.00 35.95 40.18 2i9l h PHE 91 CO -0.22 -0.33 0.38 1.15 -1.61 0.00 0.00 178.31 177.67 2i9l h THR 92 N -0.32 0.90 -0.37 -1.55 2.02 -1.30 0.42 112.91 112.71 2i9l h THR 92 Ca 0.03 -0.13 -0.16 0.00 0.77 0.00 0.00 66.41 66.92 2i9l h THR 92 Cb 0.41 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 2i9l h THR 92 CO -0.32 0.07 -0.39 0.00 0.37 0.00 0.00 175.52 175.25 2i9l h ALA 93 N 1.71 0.54 -0.01 6.16 0.00 0.17 -1.65 119.26 126.18 2i9l h ALA 93 Ca 0.26 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2i9l h ALA 93 Cb 0.52 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2i9l h ALA 93 CO -0.07 0.65 -0.75 0.00 0.00 0.00 0.00 179.25 179.08 2i9l n ALA 94 N -2.54 4.19 0.00 0.00 0.00 0.50 -4.73 120.51 117.93 2i9l n ALA 94 Ca -0.03 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.79 2i9l n ALA 94 Cb 0.55 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.22 2i9l n ALA 94 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2i9l n LEU 95 N -0.79 0.00 -1.81 0.00 4.77 0.14 -4.96 117.00 114.35 2i9l n LEU 95 Ca 0.06 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.03 2i9l n LEU 95 Cb 0.40 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 2i9l n LEU 95 CO 0.36 0.00 0.02 0.59 -1.33 0.00 0.00 177.39 177.03 2i9l n ASN 96 N -0.30 -3.34 -3.46 -1.43 4.13 -0.62 -4.98 115.26 105.25 2i9l n ASN 96 Ca 0.00 0.11 0.01 0.00 1.68 0.00 0.00 54.58 56.38 2i9l n ASN 96 Cb 0.01 -1.99 -0.03 0.00 -1.54 0.00 0.00 39.78 36.23 2i9l n ASN 96 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2i9l s ILE 97 N -1.48 -0.78 0.96 2.41 1.01 -1.26 -4.96 121.20 117.10 2i9l s ILE 97 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 60.65 60.58 2i9l s ILE 97 Cb -0.01 -1.00 0.17 0.00 0.01 0.00 0.00 42.46 41.62 2i9l s ILE 97 CO 0.17 0.00 1.09 -1.10 0.00 0.00 0.00 174.94 175.10 2i9l s GLN 98 N 2.75 0.69 0.00 2.79 -1.52 -1.26 -3.74 119.66 119.37 2i9l s GLN 98 Ca -0.01 0.84 0.00 0.00 -1.95 0.00 0.00 55.36 54.25 2i9l s GLN 98 Cb -0.10 -1.74 0.00 0.00 -0.22 0.00 0.00 33.01 30.95 2i9l s GLN 98 CO -0.18 -2.64 0.00 -2.37 -0.25 0.00 0.00 175.29 169.85 2i9l n THR 99 N -4.16 0.00 -2.02 -0.19 5.66 -1.26 -5.00 114.28 107.31 2i9l n THR 99 Ca 0.06 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.79 2i9l n THR 99 Cb 0.55 0.00 0.09 0.00 -1.55 0.00 0.00 70.33 69.42 2i9l n THR 99 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2i9l s SER 100 N 0.00 4.54 0.00 1.09 1.04 -1.26 -4.72 113.70 114.39 2i9l s SER 100 Ca 0.00 0.62 0.09 0.00 0.48 0.00 0.00 55.95 57.13 2i9l s SER 100 Cb 0.00 -1.14 0.43 0.00 0.10 0.00 0.00 66.02 65.41 2i9l s SER 100 CO 0.00 -1.84 1.15 1.33 0.98 0.00 0.00 173.24 174.86 2i9l n VAL 101 N -3.19 0.85 -0.07 5.02 0.24 -1.26 -2.59 118.33 117.33 2i9l n VAL 101 Ca 0.08 0.21 -0.13 0.00 -2.04 0.00 0.00 64.34 62.47 2i9l n VAL 101 Cb 0.61 -1.07 -0.04 0.00 -1.47 0.00 0.00 33.84 31.86 2i9l n VAL 101 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2i9l n ASN 102 N -1.30 1.50 0.00 -1.34 3.02 -1.26 -4.56 115.26 111.32 2i9l n ASN 102 Ca 0.04 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.84 2i9l n ASN 102 Cb 0.07 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 38.66 2i9l n ASN 102 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2i9l n THR 103 N -3.99 1.49 0.10 3.41 -2.24 -1.18 -3.33 114.28 108.53 2i9l n THR 103 Ca -0.23 0.39 -0.07 0.00 -2.27 0.00 0.00 64.05 61.87 2i9l n THR 103 Cb 0.56 -1.39 -0.04 0.00 -2.10 0.00 0.00 70.33 67.36 2i9l n THR 103 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2i9l h VAL 104 N 0.00 0.00 -0.91 2.28 2.07 -1.74 0.35 116.25 118.30 2i9l h VAL 104 Ca 0.00 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.72 2i9l h VAL 104 Cb 0.03 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 29.63 2i9l h VAL 104 CO 0.00 0.00 -0.14 0.58 0.02 0.00 0.00 177.57 178.03 2i9l h VAL 105 N -0.37 0.11 0.49 2.57 2.07 -1.89 0.15 116.25 119.37 2i9l h VAL 105 Ca -0.02 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 2i9l h VAL 105 Cb 0.33 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 2i9l h VAL 105 CO -0.05 0.00 -0.23 -0.09 0.02 0.00 0.00 177.57 177.22 2i9l h ARG 106 N 0.02 -0.63 -0.88 1.57 2.43 -1.72 -2.41 114.38 112.76 2i9l h ARG 106 Ca 0.47 0.04 0.22 0.00 -0.81 0.00 0.00 59.98 59.90 2i9l h ARG 106 Cb 0.80 0.14 -0.13 0.00 -0.42 0.00 0.00 29.97 30.37 2i9l h ARG 106 CO -0.90 -0.32 0.35 -0.44 -1.51 0.00 0.00 179.97 177.15 2i9l h ASP 107 N -0.98 0.25 0.82 -3.80 3.45 0.78 -0.73 116.42 116.21 2i9l h ASP 107 Ca -0.07 0.16 -0.04 0.00 0.43 0.00 0.00 57.03 57.52 2i9l h ASP 107 Cb 0.60 0.16 -0.00 0.00 -0.56 0.00 0.00 39.33 39.52 2i9l h ASP 107 CO 0.11 -0.03 -0.49 0.15 -1.57 0.00 0.00 179.24 177.41 2i9l h PHE 108 N 0.36 -1.29 -0.87 4.55 3.57 -0.70 -0.99 116.94 121.57 2i9l h PHE 108 Ca 0.54 -0.02 0.23 0.00 3.53 0.00 0.00 57.97 62.25 2i9l h PHE 108 Cb 1.03 0.46 -0.14 0.00 2.79 0.00 0.00 35.95 40.08 2i9l h PHE 108 CO -0.17 -0.74 0.17 0.93 -2.23 0.00 0.00 178.31 176.27 2i9l h GLU 109 N -1.22 0.16 0.10 1.11 5.08 -0.66 0.21 114.58 119.35 2i9l h GLU 109 Ca -0.11 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2i9l h GLU 109 Cb 0.97 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.19 2i9l h GLU 109 CO 0.12 0.10 -0.05 -0.91 -1.00 0.00 0.00 179.01 177.28 2i9l h ASN 110 N 0.16 -0.11 -0.37 1.42 2.35 -0.91 0.01 115.58 118.12 2i9l h ASN 110 Ca 0.53 -0.10 0.07 0.00 -0.55 0.00 0.00 56.30 56.25 2i9l h ASN 110 Cb 1.06 0.03 -0.06 0.00 0.05 0.00 0.00 38.32 39.39 2i9l h ASN 110 CO -0.69 0.03 -0.03 0.22 -1.65 0.00 0.00 177.43 175.31 2i9l h TYR 111 N -0.25 -0.08 0.31 1.19 3.20 0.45 -1.28 116.97 120.51 2i9l h TYR 111 Ca -0.01 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 2i9l h TYR 111 Cb 0.21 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 2i9l h TYR 111 CO -0.03 -0.10 -0.28 0.28 -1.64 0.00 0.00 178.16 176.38 2i9l h VAL 112 N 0.07 0.00 -0.78 1.81 2.07 -0.45 -0.99 116.25 117.98 2i9l h VAL 112 Ca 0.18 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.83 2i9l h VAL 112 Cb 0.26 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.90 2i9l h VAL 112 CO -0.33 0.00 -0.38 0.11 0.02 0.00 0.00 177.57 176.99 2i9l h LYS 113 N -0.58 -0.09 0.00 1.57 1.79 -0.85 0.54 116.57 118.94 2i9l h LYS 113 Ca -0.04 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 2i9l h LYS 113 Cb 0.50 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 2i9l h LYS 113 CO -0.02 -0.06 0.00 1.04 -1.08 0.00 0.00 179.45 179.33 2i9l n GLN 114 N -5.44 0.00 -0.19 3.15 6.02 -0.50 -2.55 117.38 117.87 2i9l n GLN 114 Ca 0.06 0.56 -0.07 0.00 -0.01 0.00 0.00 57.00 57.55 2i9l n GLN 114 Cb 0.37 -1.46 -0.01 0.00 1.02 0.00 0.00 30.24 30.16 2i9l n GLN 114 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 2i9l h THR 115 N 0.00 0.14 0.00 5.09 2.02 -0.77 -1.67 112.91 117.73 2i9l h THR 115 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2i9l h THR 115 Cb 0.00 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.55 2i9l h THR 115 CO 0.00 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.89 2i9l n ASN 117 N -1.52 2.01 -4.54 0.00 3.02 -0.67 -4.39 115.26 109.17 2i9l n ASN 117 Ca 0.03 -1.50 -0.36 0.00 -0.03 0.00 0.00 54.58 52.71 2i9l n ASN 117 Cb 0.12 0.14 0.07 0.00 -0.61 0.00 0.00 39.78 39.51 2i9l n ASN 117 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2i9l n SER 118 N 0.53 -0.26 -0.17 6.41 7.64 -0.62 -4.62 113.62 122.52 2i9l n SER 118 Ca 0.08 0.67 -0.03 0.00 1.01 0.00 0.00 58.87 60.60 2i9l n SER 118 Cb 0.35 -1.31 0.18 0.00 -1.01 0.00 0.00 64.21 62.42 2i9l n SER 118 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2i9l h SER 119 N -0.11 0.85 -0.70 6.43 0.02 -1.93 -0.71 113.55 117.40 2i9l h SER 119 Ca -0.47 -0.12 0.14 0.00 -0.84 0.00 0.00 61.79 60.50 2i9l h SER 119 Cb 1.35 -0.22 -0.10 0.00 0.14 0.00 0.00 62.40 63.58 2i9l h SER 119 CO 0.46 0.78 0.20 0.00 -1.14 0.00 0.00 176.83 177.12 2i9l h ALA 120 N 1.35 0.90 0.08 3.77 0.00 -1.93 -0.24 119.26 123.20 2i9l h ALA 120 Ca 0.21 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 2i9l h ALA 120 Cb 0.21 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2i9l h ALA 120 CO -0.01 -0.29 -0.04 0.28 0.00 0.00 0.00 179.25 179.19 2i9l h VAL 121 N 0.32 0.00 -0.09 0.00 2.07 -1.63 -3.32 116.25 113.59 2i9l h VAL 121 Ca 0.38 -0.36 0.03 0.00 0.82 0.00 0.00 66.70 67.57 2i9l h VAL 121 Cb 0.61 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.37 2i9l h VAL 121 CO -0.44 0.00 0.08 -0.37 0.02 0.00 0.00 177.57 176.86 2i9l h VAL 122 N -0.47 0.66 -0.06 2.57 -1.51 -1.19 -1.69 116.25 114.57 2i9l h VAL 122 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.46 2i9l h VAL 122 Cb 0.09 0.94 0.00 0.00 -2.13 0.00 0.00 31.29 30.18 2i9l h VAL 122 CO 0.02 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 176.83 2i9l n ASP 123 N -4.08 1.15 -4.63 4.19 8.00 -0.10 -4.83 116.55 116.25 2i9l n ASP 123 Ca -0.01 -1.48 -0.43 0.00 0.71 0.00 0.00 54.79 53.58 2i9l n ASP 123 Cb 0.19 -0.03 -0.02 0.00 -0.02 0.00 0.00 41.12 41.23 2i9l n ASP 123 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2i9l s ASN 124 N -1.81 6.59 0.00 -2.24 3.84 -0.64 -4.84 114.94 115.83 2i9l s ASN 124 Ca 0.37 1.25 0.15 0.00 0.21 0.00 0.00 52.86 54.83 2i9l s ASN 124 Cb 0.19 -2.54 0.35 0.00 -0.55 0.00 0.00 41.25 38.70 2i9l s ASN 124 CO 0.30 -1.15 1.26 1.17 -2.79 0.00 0.00 177.10 175.90 2i9l n LYS 125 N 7.45 2.42 -2.22 0.43 3.00 -1.26 -4.84 118.16 123.14 2i9l n LYS 125 Ca 0.16 -2.05 -0.43 0.00 -0.00 0.00 0.00 58.31 55.98 2i9l n LYS 125 Cb 0.46 -1.35 -0.02 0.00 0.00 0.00 0.00 35.03 34.12 2i9l n LYS 125 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 2i9l s LEU 126 N -1.07 3.82 0.08 3.14 2.96 -1.26 -4.95 118.68 121.41 2i9l s LEU 126 Ca 0.28 1.39 -0.30 0.00 -0.22 0.00 0.00 54.13 55.28 2i9l s LEU 126 Cb 0.16 -3.53 -0.17 0.00 0.50 0.00 0.00 46.19 43.14 2i9l s LEU 126 CO 0.21 -1.27 1.66 0.50 -1.32 0.00 0.00 176.35 176.13 2i9l h LYS 127 N 10.50 -0.59 -5.40 1.98 3.64 -1.92 -3.40 116.57 121.37 2i9l h LYS 127 Ca -0.31 0.04 -0.63 0.00 -1.27 0.00 0.00 60.65 58.48 2i9l h LYS 127 Cb 1.13 0.14 -0.14 0.00 -0.41 0.00 0.00 32.23 32.95 2i9l h LYS 127 CO 1.02 -0.40 0.07 0.42 -2.27 0.00 0.00 179.45 178.30 2i9l s ILE 128 N -6.09 4.95 -0.06 2.00 -1.09 -1.26 -1.15 121.20 118.50 2i9l s ILE 128 Ca -0.16 0.59 0.04 0.00 -2.23 0.00 0.00 60.65 58.88 2i9l s ILE 128 Cb 0.04 -4.01 -0.02 0.00 -1.58 0.00 0.00 42.46 36.90 2i9l s ILE 128 CO 0.63 -0.22 -0.17 -1.10 -1.23 0.00 0.00 174.94 172.86 2i9l s GLN 129 N 2.56 2.62 -0.09 2.79 -0.21 0.11 -4.79 119.66 122.65 2i9l s GLN 129 Ca 0.22 -0.75 -0.16 0.00 0.02 0.00 0.00 55.36 54.69 2i9l s GLN 129 Cb -0.15 -2.35 -0.05 0.00 1.00 0.00 0.00 33.01 31.46 2i9l s GLN 129 CO 0.13 0.51 0.41 -0.80 -2.12 0.00 0.00 175.29 173.43 2i9l s ASN 130 N -0.46 6.67 -0.26 5.90 0.01 -1.26 -0.14 114.94 125.39 2i9l s ASN 130 Ca 0.05 0.79 -0.10 0.00 -0.71 0.00 0.00 52.86 52.90 2i9l s ASN 130 Cb -0.12 -2.25 -0.04 0.00 0.41 0.00 0.00 41.25 39.25 2i9l s ASN 130 CO 0.02 0.12 0.14 -0.69 -1.51 0.00 0.00 177.10 175.18 2i9l s VAL 131 N 0.08 4.95 -0.29 1.60 1.01 -0.08 -4.95 120.40 122.70 2i9l s VAL 131 Ca 0.23 0.04 -0.01 0.00 0.00 0.00 0.00 61.98 62.25 2i9l s VAL 131 Cb -0.15 -3.33 0.09 0.00 0.00 0.00 0.00 36.38 32.99 2i9l s VAL 131 CO 0.10 0.30 0.08 -0.63 0.00 0.00 0.00 175.10 174.95 2i9l s ILE 132 N 1.60 0.89 0.14 2.22 -1.09 -1.26 -1.77 121.20 121.92 2i9l s ILE 132 Ca 0.07 -1.30 -0.02 0.00 -2.23 0.00 0.00 60.65 57.17 2i9l s ILE 132 Cb -0.15 -1.61 0.03 0.00 -1.58 0.00 0.00 42.46 39.15 2i9l s ILE 132 CO 0.08 -0.59 0.19 -0.38 -1.23 0.00 0.00 174.94 173.01 2i9l n ILE 133 N 4.85 0.00 -0.77 2.92 5.41 -1.00 -4.97 119.36 125.81 2i9l n ILE 133 Ca -0.03 -0.17 0.00 0.00 1.00 0.00 0.00 62.75 63.55 2i9l n ILE 133 Cb 0.43 -1.79 0.00 0.00 -0.71 0.00 0.00 39.64 37.57 2i9l n ILE 133 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 2i9l n ASP 134 N -3.10 0.09 -3.64 4.38 3.85 -1.26 -3.02 116.55 113.85 2i9l n ASP 134 Ca 0.03 -0.86 -0.11 0.00 -0.71 0.00 0.00 54.79 53.14 2i9l n ASP 134 Cb 0.09 0.01 -0.07 0.00 -1.35 0.00 0.00 41.12 39.80 2i9l n ASP 134 CO 0.00 0.00 0.00 -0.70 -1.01 0.00 0.00 177.20 175.49 2i9l s GLU 135 N -0.01 0.67 -0.28 0.11 2.12 -1.26 -1.56 118.70 118.48 2i9l s GLU 135 Ca 0.00 0.86 -0.25 0.00 0.36 0.00 0.00 54.97 55.94 2i9l s GLU 135 Cb 0.00 0.29 0.11 0.00 0.26 0.00 0.00 34.13 34.80 2i9l s GLU 135 CO 0.00 -0.09 0.97 0.00 -0.54 0.00 0.00 175.26 175.60 2i9l s TYR 137 N 0.30 1.56 0.01 0.00 2.02 -1.26 -0.95 117.35 119.02 2i9l s TYR 137 Ca 0.02 -0.47 -0.01 0.00 -0.37 0.00 0.00 57.07 56.25 2i9l s TYR 137 Cb -0.05 -0.84 -0.01 0.00 -0.40 0.00 0.00 41.96 40.66 2i9l s TYR 137 CO -0.05 0.17 -0.01 0.20 -1.57 0.00 0.00 175.55 174.29 2i9l s GLY 138 N -2.11 0.16 0.72 0.71 0.00 -0.68 -4.65 107.32 101.47 2i9l s GLY 138 Ca 0.06 -0.40 -0.15 0.00 0.00 0.00 0.00 44.72 44.24 2i9l s GLY 138 CO 0.04 -0.46 1.18 0.00 0.00 0.00 0.00 173.10 173.85 2i9l s ALA 139 N -1.10 2.19 0.14 3.20 0.00 -1.06 -4.75 121.76 120.37 2i9l s ALA 139 Ca -0.12 0.77 -0.18 0.00 0.00 0.00 0.00 51.96 52.43 2i9l s ALA 139 Cb -0.07 -3.43 -0.01 0.00 0.00 0.00 0.00 23.12 19.61 2i9l s ALA 139 CO -0.01 -1.75 1.77 -1.35 0.00 0.00 0.00 175.76 174.43 2i9l h PRO 140 N -0.28 0.29 0.00 0.00 0.11 -1.98 -3.23 132.00 126.91 2i9l h PRO 140 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2i9l h PRO 140 Cb 1.28 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2i9l h PRO 140 CO 0.51 0.19 0.00 0.41 -0.21 0.00 0.00 178.00 178.90 2i9l n GLY 141 N -1.18 -2.49 3.53 -0.55 0.00 -1.26 -4.72 105.19 98.53 2i9l n GLY 141 Ca -0.01 0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 2i9l n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2i9l s SER 142 N -2.06 4.83 0.69 1.61 1.04 -1.22 -5.12 113.70 113.47 2i9l s SER 142 Ca 0.00 -0.08 -0.10 0.00 0.48 0.00 0.00 55.95 56.25 2i9l s SER 142 Cb 0.00 -1.66 0.02 0.00 0.10 0.00 0.00 66.02 64.48 2i9l s SER 142 CO 0.00 0.22 1.06 -2.16 0.98 0.00 0.00 173.24 173.34 2i9l s PRO 143 N 0.05 2.80 -0.08 4.02 0.04 -1.25 -2.55 135.00 138.03 2i9l s PRO 143 Ca 0.00 0.34 -0.18 0.00 0.04 0.00 0.00 61.00 61.20 2i9l s PRO 143 Cb -0.13 -2.07 -0.05 0.00 0.04 0.00 0.00 34.50 32.29 2i9l s PRO 143 CO 0.03 -1.01 0.49 0.99 0.04 0.00 0.00 177.00 177.54 2i9l s THR 144 N -3.30 5.11 -0.34 1.26 2.01 -0.25 -4.86 115.64 115.27 2i9l s THR 144 Ca 0.58 0.99 -0.11 0.00 0.31 0.00 0.00 61.69 63.46 2i9l s THR 144 Cb -0.11 -3.82 0.00 0.00 0.01 0.00 0.00 72.50 68.58 2i9l s THR 144 CO 0.50 0.38 0.20 0.20 -0.69 0.00 0.00 174.62 175.21 2i9l s ASN 145 N 0.24 5.75 -0.07 3.53 -0.87 -1.26 0.74 114.94 123.00 2i9l s ASN 145 Ca 0.27 -0.63 0.00 0.00 -1.57 0.00 0.00 52.86 50.93 2i9l s ASN 145 Cb -0.16 -2.05 -0.03 0.00 -0.02 0.00 0.00 41.25 38.99 2i9l s ASN 145 CO 0.12 -0.27 -0.05 -0.76 -2.57 0.00 0.00 177.10 173.57 2i9l s LEU 146 N 1.63 3.25 -0.09 0.60 1.43 0.46 -4.94 118.68 121.01 2i9l s LEU 146 Ca 0.04 0.00 0.02 0.00 -1.03 0.00 0.00 54.13 53.16 2i9l s LEU 146 Cb -0.18 -1.72 0.02 0.00 0.03 0.00 0.00 46.19 44.33 2i9l s LEU 146 CO 0.08 0.36 -0.13 -0.70 0.23 0.00 0.00 176.35 176.19 2i9l s GLU 147 N -0.87 1.87 -0.34 1.70 2.12 -1.26 -1.37 118.70 120.56 2i9l s GLU 147 Ca 0.13 -0.44 -0.15 0.00 0.36 0.00 0.00 54.97 54.87 2i9l s GLU 147 Cb -0.11 -1.63 -0.01 0.00 0.26 0.00 0.00 34.13 32.64 2i9l s GLU 147 CO 0.02 -0.07 0.35 0.12 -0.54 0.00 0.00 175.26 175.15 2i9l s PHE 148 N 1.00 3.21 -0.45 5.30 5.36 0.73 -4.95 117.98 128.18 2i9l s PHE 148 Ca -0.08 -0.03 -0.24 0.00 -0.96 0.00 0.00 56.93 55.63 2i9l s PHE 148 Cb -0.15 -2.66 0.03 0.00 -0.34 0.00 0.00 43.02 39.90 2i9l s PHE 148 CO -0.01 -0.43 0.81 0.42 -1.46 0.00 0.00 175.22 174.56 2i9l s ILE 149 N 2.00 4.62 -0.38 3.12 -1.09 -1.26 -0.30 121.20 127.90 2i9l s ILE 149 Ca 0.11 0.51 -0.29 0.00 -2.23 0.00 0.00 60.65 58.75 2i9l s ILE 149 Cb -0.17 -4.34 0.01 0.00 -1.58 0.00 0.00 42.46 36.39 2i9l s ILE 149 CO 0.12 -0.73 1.26 0.21 -1.23 0.00 0.00 174.94 174.56 2i9l s ASN 150 N 2.15 6.60 0.25 3.58 2.47 0.23 -4.88 114.94 125.34 2i9l s ASN 150 Ca 0.31 0.87 0.06 0.00 0.42 0.00 0.00 52.86 54.52 2i9l s ASN 150 Cb -0.12 -2.54 0.28 0.00 -1.45 0.00 0.00 41.25 37.42 2i9l s ASN 150 CO 0.23 -1.20 1.58 0.71 -3.72 0.00 0.00 177.10 174.70 2i9l h THR 151 N 6.15 1.39 0.00 -5.21 1.35 -1.86 -0.71 112.91 114.02 2i9l h THR 151 Ca -0.25 -1.99 0.00 0.00 -0.55 0.00 0.00 66.41 63.62 2i9l h THR 151 Cb 1.08 2.02 0.00 0.00 -1.73 0.00 0.00 68.15 69.52 2i9l h THR 151 CO 1.07 0.58 0.00 0.61 -0.25 0.00 0.00 175.52 177.54 2i9l n GLY 152 N 0.25 0.96 3.12 5.82 0.00 -1.26 -2.57 105.19 111.50 2i9l n GLY 152 Ca -0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 2i9l n GLY 152 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2i9l s SER 153 N -1.78 1.29 0.22 1.61 1.04 -1.26 -0.99 113.70 113.83 2i9l s SER 153 Ca 0.00 -0.59 -0.07 0.00 0.48 0.00 0.00 55.95 55.77 2i9l s SER 153 Cb 0.00 -0.01 0.31 0.00 0.10 0.00 0.00 66.02 66.42 2i9l s SER 153 CO 0.00 -0.14 1.80 0.28 0.98 0.00 0.00 173.24 176.16 2i9l h SER 154 N 4.37 0.58 -0.54 7.02 0.02 -1.88 -0.25 113.55 122.87 2i9l h SER 154 Ca -0.38 0.04 -0.11 0.00 -0.84 0.00 0.00 61.79 60.50 2i9l h SER 154 Cb 1.20 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.65 2i9l h SER 154 CO 0.41 0.35 -0.08 0.50 -1.14 0.00 0.00 176.83 176.87 2i9l h LYS 155 N 0.71 1.02 -0.06 3.45 3.64 -1.83 -2.34 116.57 121.17 2i9l h LYS 155 Ca 0.34 -0.36 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 2i9l h LYS 155 Cb 0.27 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2i9l h LYS 155 CO -0.22 1.05 0.01 0.78 -2.27 0.00 0.00 179.45 178.80 2i9l h GLY 156 N 0.95 0.10 2.00 5.01 0.00 -1.59 -2.97 103.07 106.58 2i9l h GLY 156 Ca 0.15 -0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.38 2i9l h GLY 156 CO 0.04 0.07 -0.11 3.43 0.00 0.00 0.00 176.54 179.97 2i9l h ASN 157 N -0.17 0.00 -0.77 0.19 2.35 -1.09 -1.92 115.58 114.17 2i9l h ASN 157 Ca 0.02 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.81 2i9l h ASN 157 Cb 0.30 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.61 2i9l h ASN 157 CO 0.00 0.11 0.48 0.00 -1.65 0.00 0.00 177.43 176.37 2i9l h ALA 159 N 1.35 0.35 -0.72 0.00 0.00 -1.36 -1.60 119.26 117.28 2i9l h ALA 159 Ca 0.32 -0.41 0.02 0.00 0.00 0.00 0.00 54.91 54.84 2i9l h ALA 159 Cb 0.09 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2i9l h ALA 159 CO -0.14 0.39 0.46 0.82 0.00 0.00 0.00 179.25 180.78 2i9l h ILE 160 N 0.33 1.14 -0.49 0.00 1.08 -1.07 -0.82 117.51 117.68 2i9l h ILE 160 Ca 0.03 -0.32 -0.05 0.00 -0.39 0.00 0.00 64.86 64.13 2i9l h ILE 160 Cb 0.89 0.14 -0.02 0.00 -3.07 0.00 0.00 36.82 34.76 2i9l h ILE 160 CO 0.07 0.17 0.11 0.50 -0.69 0.00 0.00 178.15 178.31 2i9l h LYS 161 N 0.93 0.79 -0.72 2.37 3.64 0.10 -0.58 116.57 123.10 2i9l h LYS 161 Ca 0.27 -0.20 0.01 0.00 -1.27 0.00 0.00 60.65 59.46 2i9l h LYS 161 Cb -0.05 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.64 2i9l h LYS 161 CO -0.08 0.78 0.47 0.00 -2.27 0.00 0.00 179.45 178.35 2i9l h ALA 162 N 0.98 0.91 -0.36 5.00 0.00 -0.88 0.07 119.26 124.98 2i9l h ALA 162 Ca 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2i9l h ALA 162 Cb 0.35 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2i9l h ALA 162 CO 0.00 0.34 0.24 -0.07 0.00 0.00 0.00 179.25 179.76 2i9l h LEU 163 N 0.98 0.42 -0.64 0.00 4.07 -0.79 -2.72 115.31 116.63 2i9l h LEU 163 Ca 0.26 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.21 2i9l h LEU 163 Cb -0.11 -0.11 -0.03 0.00 1.08 0.00 0.00 40.66 41.50 2i9l h LEU 163 CO -0.06 0.31 0.42 -0.03 -1.08 0.00 0.00 178.44 178.00 2i9l h MET 164 N 0.49 0.85 -0.70 1.13 4.05 -0.25 -1.38 114.93 119.12 2i9l h MET 164 Ca 0.13 -0.06 0.12 0.00 -0.28 0.00 0.00 59.70 59.62 2i9l h MET 164 Cb -0.05 -0.19 -0.05 0.00 -0.80 0.00 0.00 31.60 30.52 2i9l h MET 164 CO -0.03 0.57 0.47 1.96 0.23 0.00 0.00 176.91 180.11 2i9l h GLN 165 N 0.87 0.47 -0.02 0.39 4.20 -0.72 -0.54 115.11 119.76 2i9l h GLN 165 Ca 0.23 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.88 2i9l h GLN 165 Cb -0.09 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.59 2i9l h GLN 165 CO -0.05 0.31 -0.11 -0.07 -0.67 0.00 0.00 178.83 178.24 2i9l h LEU 166 N 0.48 0.13 -0.31 1.46 3.38 -1.04 -3.15 115.31 116.26 2i9l h LEU 166 Ca 0.33 -0.68 0.07 0.00 0.09 0.00 0.00 57.88 57.69 2i9l h LEU 166 Cb 0.65 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.28 2i9l h LEU 166 CO -0.11 0.79 -0.24 0.74 0.09 0.00 0.00 178.44 179.71 2i9l h THR 167 N -0.53 0.38 -0.15 0.22 2.02 -0.29 -0.50 112.91 114.05 2i9l h THR 167 Ca -0.01 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.22 2i9l h THR 167 Cb 0.79 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 2i9l h THR 167 CO 0.02 0.00 0.11 0.71 0.37 0.00 0.00 175.52 176.74 2i9l h THR 168 N -0.21 0.89 0.00 3.16 1.35 -1.24 0.76 112.91 117.63 2i9l h THR 168 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.02 2i9l h THR 168 Cb 0.46 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 67.80 2i9l h THR 168 CO -0.43 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.13 2i9l n LYS 169 N -4.45 0.42 -0.00 4.72 4.76 -0.21 -2.29 118.16 121.11 2i9l n LYS 169 Ca 0.01 0.06 0.10 0.00 -2.87 0.00 0.00 58.31 55.60 2i9l n LYS 169 Cb 0.24 -1.50 -0.11 0.00 -1.84 0.00 0.00 35.03 31.83 2i9l n LYS 169 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2i9l n ALA 170 N -1.22 4.70 0.83 7.82 0.00 0.26 -3.96 120.51 128.94 2i9l n ALA 170 Ca 0.12 -0.59 0.13 0.00 0.00 0.00 0.00 53.44 53.10 2i9l n ALA 170 Cb 0.16 -0.78 0.33 0.00 0.00 0.00 0.00 19.45 19.15 2i9l n ALA 170 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2i9l n THR 171 N -1.51 0.18 0.75 0.00 -2.24 -0.97 -3.13 114.28 107.36 2i9l n THR 171 Ca 0.04 -0.12 0.10 0.00 -2.27 0.00 0.00 64.05 61.81 2i9l n THR 171 Cb 0.33 -0.14 0.46 0.00 -2.10 0.00 0.00 70.33 68.88 2i9l n THR 171 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2i9l n THR 172 N -1.78 0.52 -0.02 4.28 -2.24 -1.25 -3.15 114.28 110.65 2i9l n THR 172 Ca 0.05 0.13 -0.04 0.00 -2.27 0.00 0.00 64.05 61.92 2i9l n THR 172 Cb 0.38 -0.76 -0.12 0.00 -2.10 0.00 0.00 70.33 67.72 2i9l n THR 172 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2i9l n GLN 173 N -1.49 0.64 -0.03 -0.78 1.13 -1.18 -4.38 117.38 111.28 2i9l n GLN 173 Ca 0.05 0.16 -0.15 0.00 -1.94 0.00 0.00 57.00 55.13 2i9l n GLN 173 Cb 0.25 -1.72 -0.10 0.00 0.11 0.00 0.00 30.24 28.78 2i9l n GLN 173 CO 0.00 0.00 0.00 -0.84 -1.44 0.00 0.00 177.06 174.78 2i9l h ILE 174 N 0.00 1.47 -3.54 5.09 -0.00 -1.70 -3.42 117.51 115.41 2i9l h ILE 174 Ca -0.27 -1.71 -0.56 0.00 -0.00 0.00 0.00 64.86 62.32 2i9l h ILE 174 Cb 1.82 2.47 -0.06 0.00 -0.00 0.00 0.00 36.82 41.04 2i9l h ILE 174 CO 0.05 0.47 0.94 0.00 -0.00 0.00 0.00 178.15 179.61 2i9l s ALA 175 N -3.54 3.21 -2.00 0.16 0.00 -1.24 -4.88 121.76 113.47 2i9l s ALA 175 Ca -0.15 -0.31 0.05 0.00 0.00 0.00 0.00 51.96 51.55 2i9l s ALA 175 Cb 0.02 -3.86 0.32 0.00 0.00 0.00 0.00 23.12 19.61 2i9l s ALA 175 CO 0.74 -2.11 0.79 -2.30 0.00 0.00 0.00 175.76 172.88