#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n7i h VAL 23 N 0.00 0.86 -0.69 0.00 -1.51 -1.99 -3.12 116.25 109.81 1n7i h VAL 23 Ca 0.00 -0.03 0.28 0.00 -1.23 0.00 0.00 66.70 65.72 1n7i h VAL 23 Cb 0.00 0.76 -0.12 0.00 -2.13 0.00 0.00 31.29 29.81 1n7i h VAL 23 CO 0.00 0.02 0.38 0.00 -1.23 0.00 0.00 177.57 176.74 1n7i n ALA 24 N -2.58 0.71 0.21 5.19 0.00 -1.26 0.15 120.51 122.92 1n7i n ALA 24 Ca 0.06 0.66 0.05 0.00 0.00 0.00 0.00 53.44 54.21 1n7i n ALA 24 Cb 0.39 -0.68 0.45 0.00 0.00 0.00 0.00 19.45 19.60 1n7i n ALA 24 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1n7i h SER 25 N 0.00 0.00 0.72 0.00 0.87 -2.01 -3.01 113.55 110.12 1n7i h SER 25 Ca 0.56 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.90 1n7i h SER 25 Cb 1.53 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.48 1n7i h SER 25 CO -0.49 0.30 -1.02 0.00 -0.53 0.00 0.00 176.83 175.09 1n7i h ALA 26 N 1.70 0.35 0.00 6.23 0.00 0.11 -3.24 119.26 124.41 1n7i h ALA 26 Ca -0.00 -0.83 -0.00 0.00 0.00 0.00 0.00 54.91 54.08 1n7i h ALA 26 Cb 0.60 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1n7i h ALA 26 CO 0.04 1.03 -0.01 1.88 0.00 0.00 0.00 179.25 182.19 1n7i h TYR 27 N 0.06 0.00 -0.06 0.00 -1.99 -1.47 -3.08 116.97 110.44 1n7i h TYR 27 Ca -0.06 0.00 0.02 0.00 2.00 0.00 0.00 58.73 60.69 1n7i h TYR 27 Cb 1.72 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 40.45 1n7i h TYR 27 CO 0.03 0.01 0.11 1.96 -0.00 0.00 0.00 178.16 180.27 1n7i h GLN 28 N 0.00 0.00 -0.01 4.88 1.08 -1.57 0.35 115.11 119.83 1n7i h GLN 28 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1n7i h GLN 28 Cb 0.59 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 1n7i h GLN 28 CO 0.00 0.00 -0.28 0.54 -0.95 0.00 0.00 178.83 178.14 1n7i n ARG 29 N -3.46 1.24 -1.50 1.46 1.74 -1.16 -4.95 116.66 110.03 1n7i n ARG 29 Ca -0.01 -0.90 -0.49 0.00 -0.77 0.00 0.00 57.85 55.68 1n7i n ARG 29 Cb 0.20 -1.48 -0.06 0.00 -1.02 0.00 0.00 32.46 30.10 1n7i n ARG 29 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1n7i n PHE 30 N -0.09 1.74 -3.28 -1.55 7.35 0.12 -3.86 117.46 117.89 1n7i n PHE 30 Ca 0.12 0.17 -0.43 0.00 -0.76 0.00 0.00 57.45 56.54 1n7i n PHE 30 Cb 0.42 -2.59 -0.08 0.00 0.35 0.00 0.00 39.48 37.59 1n7i n PHE 30 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 1n7i s GLU 31 N 6.07 3.08 0.27 -4.13 2.02 -1.01 -4.97 118.70 120.03 1n7i s GLU 31 Ca 1.06 -0.89 -0.01 0.00 0.02 0.00 0.00 54.97 55.16 1n7i s GLU 31 Cb -0.73 -4.03 0.48 0.00 0.10 0.00 0.00 34.13 29.96 1n7i s GLU 31 CO 0.46 -0.98 1.85 -1.35 0.02 0.00 0.00 175.26 175.26 1n7i h PRO 32 N 8.81 0.99 -0.63 0.39 0.11 -1.92 -0.38 132.00 139.37 1n7i h PRO 32 Ca -0.27 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.72 1n7i h PRO 32 Cb 1.11 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.97 1n7i h PRO 32 CO 0.86 0.66 0.14 0.00 -0.21 0.00 0.00 178.00 179.44 1n7i h ARG 33 N 1.02 0.99 0.01 1.05 -0.00 -1.97 -0.54 114.38 114.94 1n7i h ARG 33 Ca 0.46 -0.23 -0.21 0.00 -0.50 0.00 0.00 59.98 59.50 1n7i h ARG 33 Cb 0.37 -0.14 -0.01 0.00 0.00 0.00 0.00 29.97 30.20 1n7i h ARG 33 CO -0.23 0.89 -0.92 0.00 0.00 0.00 0.00 179.97 179.70 1n7i h ALA 34 N 1.21 0.44 0.73 0.04 0.00 -1.78 -2.76 119.26 117.14 1n7i h ALA 34 Ca 0.20 -0.73 -0.04 0.00 0.00 0.00 0.00 54.91 54.34 1n7i h ALA 34 Cb 0.35 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.10 1n7i h ALA 34 CO 0.00 0.89 -0.35 -0.92 0.00 0.00 0.00 179.25 178.88 1n7i h TYR 35 N 0.14 -0.91 -0.83 0.00 3.20 -0.72 -1.78 116.97 116.08 1n7i h TYR 35 Ca -0.06 -0.02 0.20 0.00 3.14 0.00 0.00 58.73 61.98 1n7i h TYR 35 Cb 1.56 0.30 -0.15 0.00 1.54 0.00 0.00 36.73 39.98 1n7i h TYR 35 CO 0.04 -0.56 -0.01 -0.07 -1.64 0.00 0.00 178.16 175.92 1n7i h LEU 36 N -1.04 -0.42 -1.79 2.82 3.38 -1.19 0.11 115.31 117.17 1n7i h LEU 36 Ca -0.10 0.22 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1n7i h LEU 36 Cb 0.75 0.40 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 1n7i h LEU 36 CO 0.16 -0.23 0.11 -0.09 0.09 0.00 0.00 178.44 178.49 1n7i h ARG 37 N 0.08 0.25 0.00 1.13 2.43 -1.31 0.86 114.38 117.81 1n7i h ARG 37 Ca 0.46 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.61 1n7i h ARG 37 Cb 0.83 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.33 1n7i h ARG 37 CO -0.75 0.18 -0.22 0.09 -1.51 0.00 0.00 179.97 177.76 1n7i n ASN 38 N -4.50 0.55 0.00 -3.80 3.02 0.35 -4.08 115.26 106.81 1n7i n ASN 38 Ca -0.00 0.34 0.00 0.00 -0.03 0.00 0.00 54.58 54.89 1n7i n ASN 38 Cb 0.08 -0.35 0.00 0.00 -0.61 0.00 0.00 39.78 38.90 1n7i n ASN 38 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1n7i n ASN 39 N -1.95 0.86 -0.60 6.41 3.02 -0.85 -4.88 115.26 117.28 1n7i n ASN 39 Ca 0.05 -0.07 0.06 0.00 -0.03 0.00 0.00 54.58 54.59 1n7i n ASN 39 Cb 0.40 0.32 0.11 0.00 -0.61 0.00 0.00 39.78 40.00 1n7i n ASN 39 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1n7i n TYR 40 N -0.41 0.00 -4.33 3.10 4.02 0.29 -4.32 117.16 115.52 1n7i n TYR 40 Ca 0.00 -0.88 -0.18 0.00 -0.01 0.00 0.00 57.90 56.84 1n7i n TYR 40 Cb 0.00 -0.16 -0.10 0.00 -0.02 0.00 0.00 39.34 39.06 1n7i n TYR 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1n7i s ALA 41 N -1.90 1.89 0.32 -0.72 0.00 -1.24 -4.35 121.76 115.76 1n7i s ALA 41 Ca 0.28 -1.66 -0.27 0.00 0.00 0.00 0.00 51.96 50.31 1n7i s ALA 41 Cb 0.28 0.05 -0.13 0.00 0.00 0.00 0.00 23.12 23.32 1n7i s ALA 41 CO -0.05 -0.03 1.01 -2.30 0.00 0.00 0.00 175.76 174.39 1n7i n PRO 42 N -0.36 1.37 0.10 0.00 -0.02 -1.26 -0.37 135.00 134.46 1n7i n PRO 42 Ca -0.08 0.48 -0.03 0.00 -2.02 0.00 0.00 63.50 61.85 1n7i n PRO 42 Cb 0.61 -1.90 -0.02 0.00 -0.02 0.00 0.00 33.50 32.17 1n7i n PRO 42 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1n7i h PRO 43 N 1.89 0.00 0.00 0.52 0.13 -1.94 -3.44 132.00 129.16 1n7i h PRO 43 Ca -0.41 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.68 1n7i h PRO 43 Cb 1.34 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.46 1n7i h PRO 43 CO 0.60 0.78 -0.21 0.00 -0.23 0.00 0.00 178.00 178.94 1n7i h ARG 44 N 0.00 0.00 -0.66 0.86 3.08 -1.72 -2.77 114.38 113.17 1n7i h ARG 44 Ca -0.01 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 1n7i h ARG 44 Cb 1.54 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.54 1n7i h ARG 44 CO 0.10 0.21 0.09 0.41 -1.07 0.00 0.00 179.97 179.71 1n7i n GLY 45 N -0.83 3.15 3.22 0.04 0.00 0.50 -4.01 105.19 107.26 1n7i n GLY 45 Ca -0.02 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 1n7i n GLY 45 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1n7i s ASP 46 N -0.81 5.84 0.00 1.61 3.68 -1.05 -4.32 116.67 121.62 1n7i s ASP 46 Ca 0.53 -2.15 0.08 0.00 2.13 0.00 0.00 52.55 53.14 1n7i s ASP 46 Cb 0.41 -2.04 0.50 0.00 -1.45 0.00 0.00 42.92 40.35 1n7i s ASP 46 CO 0.15 -0.65 1.26 0.18 0.13 0.00 0.00 175.17 176.24 1n7i n LEU 47 N 4.60 0.00 -0.08 -1.34 4.77 -1.26 -3.86 117.00 119.82 1n7i n LEU 47 Ca -0.03 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.84 1n7i n LEU 47 Cb 0.41 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.46 1n7i n LEU 47 CO 0.41 0.00 0.75 0.00 -1.33 0.00 0.00 177.39 177.23 1n7i s ASN 49 N -5.95 6.84 0.44 0.00 3.84 -1.25 -4.93 114.94 113.93 1n7i s ASN 49 Ca -0.14 1.01 0.30 0.00 0.21 0.00 0.00 52.86 54.25 1n7i s ASN 49 Cb 0.07 -2.45 1.56 0.00 -0.55 0.00 0.00 41.25 39.88 1n7i s ASN 49 CO 0.75 -0.58 1.92 1.55 -2.79 0.00 0.00 177.10 177.95 1n7i h PRO 50 N 7.76 0.00 -1.13 0.43 0.13 -1.92 -2.76 132.00 134.51 1n7i h PRO 50 Ca -0.23 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.41 1n7i h PRO 50 Cb 1.09 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 31.98 1n7i h PRO 50 CO 0.90 0.00 0.64 0.09 -0.23 0.00 0.00 178.00 179.40 1n7i n ASN 51 N -2.59 5.93 -4.84 1.44 3.02 -1.26 -4.57 115.26 112.39 1n7i n ASN 51 Ca -0.01 -3.44 -0.22 0.00 -0.03 0.00 0.00 54.58 50.88 1n7i n ASN 51 Cb 0.10 -0.92 -0.04 0.00 -0.61 0.00 0.00 39.78 38.30 1n7i n ASN 51 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1n7i s GLY 52 N -0.99 2.16 0.17 7.41 0.00 -1.04 -4.94 107.32 110.08 1n7i s GLY 52 Ca 0.50 -1.92 -0.11 0.00 0.00 0.00 0.00 44.72 43.19 1n7i s GLY 52 CO 0.03 -1.74 1.68 -2.08 0.00 0.00 0.00 173.10 170.99 1n7i h VAL 53 N 1.14 1.25 0.31 1.40 2.07 -1.90 -2.49 116.25 118.04 1n7i h VAL 53 Ca -0.42 -0.92 -0.01 0.00 0.82 0.00 0.00 66.70 66.17 1n7i h VAL 53 Cb 1.26 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 1n7i h VAL 53 CO 0.60 0.34 -0.33 1.23 0.02 0.00 0.00 177.57 179.43 1n7i h GLY 54 N 0.89 -1.08 0.20 2.17 0.00 -1.93 -0.17 103.07 103.15 1n7i h GLY 54 Ca 0.19 0.50 0.16 0.00 0.00 0.00 0.00 47.33 48.18 1n7i h GLY 54 CO 0.00 -0.34 0.51 -2.55 0.00 0.00 0.00 176.54 174.16 1n7i h PRO 55 N -0.65 0.67 0.89 4.80 0.11 -1.86 -0.61 132.00 135.36 1n7i h PRO 55 Ca -0.04 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.99 1n7i h PRO 55 Cb 0.57 -0.15 0.01 0.00 0.11 0.00 0.00 31.00 31.54 1n7i h PRO 55 CO -0.05 0.45 -0.43 2.35 -0.21 0.00 0.00 178.00 180.10 1n7i h TRP 56 N 0.69 -1.11 -0.48 0.65 7.01 -1.18 0.14 115.95 121.66 1n7i h TRP 56 Ca 0.50 -0.03 0.06 0.00 2.11 0.00 0.00 58.89 61.54 1n7i h TRP 56 Cb 0.72 0.37 -0.05 0.00 -2.10 0.00 0.00 29.16 28.10 1n7i h TRP 56 CO -0.06 -0.69 0.18 0.87 -2.79 0.00 0.00 178.44 175.96 1n7i h LYS 57 N -1.30 0.36 -0.74 2.65 1.57 -0.70 -0.54 116.57 117.86 1n7i h LYS 57 Ca -0.12 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.65 1n7i h LYS 57 Cb 0.92 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 33.11 1n7i h LYS 57 CO 0.20 0.24 0.49 -0.07 -0.57 0.00 0.00 179.45 179.74 1n7i h LEU 58 N 0.37 0.84 -1.14 2.94 3.38 -1.07 -2.15 115.31 118.48 1n7i h LEU 58 Ca 0.23 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.13 1n7i h LEU 58 Cb 0.22 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1n7i h LEU 58 CO -0.22 0.60 0.04 -0.09 0.09 0.00 0.00 178.44 178.86 1n7i h ARG 59 N 0.99 0.64 -0.12 1.13 2.43 0.33 -0.65 114.38 119.13 1n7i h ARG 59 Ca 0.28 -0.14 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 1n7i h ARG 59 Cb -0.09 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.37 1n7i h ARG 59 CO -0.07 0.63 0.01 0.00 -1.51 0.00 0.00 179.97 179.03 1n7i h LEU 61 N -0.04 -0.18 0.39 0.00 3.38 -1.20 -1.48 115.31 116.17 1n7i h LEU 61 Ca 0.04 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1n7i h LEU 61 Cb 0.34 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1n7i h LEU 61 CO 0.01 -0.10 -0.42 0.00 0.09 0.00 0.00 178.44 178.01 1n7i h ALA 62 N 0.84 -1.07 -0.98 1.53 0.00 -1.06 -2.22 119.26 116.30 1n7i h ALA 62 Ca 0.02 -0.15 0.21 0.00 0.00 0.00 0.00 54.91 54.98 1n7i h ALA 62 Cb 0.15 0.67 -0.11 0.00 0.00 0.00 0.00 17.79 18.50 1n7i h ALA 62 CO -0.05 -1.11 0.57 1.96 0.00 0.00 0.00 179.25 180.62 1n7i h GLN 63 N -0.82 0.65 0.79 0.00 4.20 -1.12 -0.02 115.11 118.79 1n7i h GLN 63 Ca -0.05 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.58 1n7i h GLN 63 Cb 0.72 -0.15 0.01 0.00 0.30 0.00 0.00 27.48 28.36 1n7i h GLN 63 CO -0.07 0.43 -0.38 1.15 -0.67 0.00 0.00 178.83 179.29 1n7i h THR 64 N 0.67 0.00 -0.17 -0.54 2.02 -0.93 -2.93 112.91 111.03 1n7i h THR 64 Ca 0.59 -0.17 0.04 0.00 0.77 0.00 0.00 66.41 67.63 1n7i h THR 64 Cb 0.99 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 1n7i h THR 64 CO -0.42 0.00 0.12 -0.26 0.37 0.00 0.00 175.52 175.33 1n7i h PHE 65 N -1.23 0.07 0.00 3.16 -1.00 -1.12 -0.96 116.94 115.85 1n7i h PHE 65 Ca -0.11 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.66 1n7i h PHE 65 Cb 0.81 -0.02 -0.00 0.00 3.61 0.00 0.00 35.95 40.35 1n7i h PHE 65 CO 0.01 0.04 -0.04 0.00 -1.61 0.00 0.00 178.31 176.70 1n7i h ALA 66 N 1.91 1.48 0.00 2.45 0.00 -0.87 0.93 119.26 125.16 1n7i h ALA 66 Ca 0.08 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1n7i h ALA 66 Cb 0.22 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1n7i h ALA 66 CO -0.01 0.06 -0.01 1.79 0.00 0.00 0.00 179.25 181.08 1n7i h THR 67 N 0.00 0.03 -5.51 0.00 1.35 -0.99 -3.47 112.91 104.33 1n7i h THR 67 Ca -0.00 -0.40 -0.25 0.00 -0.55 0.00 0.00 66.41 65.20 1n7i h THR 67 Cb 0.12 1.39 0.18 0.00 -1.73 0.00 0.00 68.15 68.11 1n7i h THR 67 CO 0.01 0.01 -0.83 0.61 -0.25 0.00 0.00 175.52 175.06 1n7i n GLY 68 N -0.26 -1.16 0.00 5.82 0.00 0.32 -4.89 105.19 105.02 1n7i n GLY 68 Ca -0.00 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.59 1n7i n GLY 68 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1n7i n GLU 69 N -3.25 1.72 -3.58 1.61 1.02 -1.26 -4.93 120.64 111.97 1n7i n GLU 69 Ca -0.07 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.67 1n7i n GLU 69 Cb 0.61 -0.16 -0.09 0.00 -0.02 0.00 0.00 31.44 31.79 1n7i n GLU 69 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1n7i s VAL 70 N -0.15 4.13 -0.04 2.62 1.01 -1.26 -5.00 120.40 121.71 1n7i s VAL 70 Ca 0.00 -2.00 -0.16 0.00 0.00 0.00 0.00 61.98 59.82 1n7i s VAL 70 Cb 0.00 -3.72 0.03 0.00 0.00 0.00 0.00 36.38 32.69 1n7i s VAL 70 CO 0.00 -0.80 0.36 -0.94 0.00 0.00 0.00 175.10 173.72 1n7i s SER 71 N 2.32 -0.28 0.00 3.32 1.04 -1.26 -4.94 113.70 113.90 1n7i s SER 71 Ca 0.08 0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.79 1n7i s SER 71 Cb -0.24 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.30 1n7i s SER 71 CO -0.02 -0.40 0.00 0.61 0.98 0.00 0.00 173.24 174.41 1n7i n GLY 72 N 1.55 -0.61 0.47 7.32 0.00 -1.22 -4.98 105.19 107.73 1n7i n GLY 72 Ca -0.20 -0.61 -0.12 0.00 0.00 0.00 0.00 46.02 45.09 1n7i n GLY 72 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1n7i n ARG 73 N 0.00 0.34 -3.88 1.61 0.63 -1.26 -4.38 116.66 109.72 1n7i n ARG 73 Ca 0.00 0.14 -0.35 0.00 -0.92 0.00 0.00 57.85 56.72 1n7i n ARG 73 Cb 0.00 -1.08 -0.05 0.00 0.45 0.00 0.00 32.46 31.77 1n7i n ARG 73 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 1n7i s THR 74 N -2.43 5.45 -0.04 5.15 -1.32 -1.26 -1.17 115.64 120.03 1n7i s THR 74 Ca -0.21 0.04 -0.04 0.00 -1.21 0.00 0.00 61.69 60.27 1n7i s THR 74 Cb 0.06 -3.48 0.01 0.00 -1.51 0.00 0.00 72.50 67.58 1n7i s THR 74 CO 0.28 0.46 0.11 -0.22 -2.21 0.00 0.00 174.62 173.04 1n7i s LEU 75 N -1.52 1.58 -0.04 9.08 0.20 -0.34 -0.58 118.68 127.06 1n7i s LEU 75 Ca 0.22 0.18 0.04 0.00 0.69 0.00 0.00 54.13 55.26 1n7i s LEU 75 Cb -0.12 0.40 -0.00 0.00 -0.43 0.00 0.00 46.19 46.04 1n7i s LEU 75 CO 0.12 -0.07 -0.16 -0.63 -0.29 0.00 0.00 176.35 175.32 1n7i s ILE 76 N -0.07 1.35 -0.35 6.68 1.01 -0.58 -1.50 121.20 127.74 1n7i s ILE 76 Ca -0.01 -0.66 -0.06 0.00 0.00 0.00 0.00 60.65 59.91 1n7i s ILE 76 Cb -0.01 -1.17 0.05 0.00 0.01 0.00 0.00 42.46 41.34 1n7i s ILE 76 CO 0.00 0.39 0.12 -0.62 0.00 0.00 0.00 174.94 174.83 1n7i s ASP 77 N 0.12 5.32 -0.01 3.58 2.15 -0.05 -1.66 116.67 126.11 1n7i s ASP 77 Ca -0.05 -1.24 -0.26 0.00 0.43 0.00 0.00 52.55 51.43 1n7i s ASP 77 Cb -0.12 -1.87 -0.04 0.00 -0.30 0.00 0.00 42.92 40.60 1n7i s ASP 77 CO 0.02 -0.36 0.83 -0.63 -0.17 0.00 0.00 175.17 174.87 1n7i s ILE 78 N 1.38 4.89 -0.92 4.11 1.09 0.01 -2.43 121.20 129.34 1n7i s ILE 78 Ca -0.01 1.74 -0.00 0.00 -1.10 0.00 0.00 60.65 61.28 1n7i s ILE 78 Cb -0.20 -4.17 -0.00 0.00 -1.06 0.00 0.00 42.46 37.02 1n7i s ILE 78 CO 0.02 0.24 0.77 0.61 -0.10 0.00 0.00 174.94 176.48 1n7i n GLY 79 N 2.85 -0.20 0.28 6.18 0.00 -1.24 -4.21 105.19 108.84 1n7i n GLY 79 Ca 0.01 -0.01 0.01 0.00 0.00 0.00 0.00 46.02 46.03 1n7i n GLY 79 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1n7i h SER 80 N -1.44 0.57 -0.68 1.61 0.02 0.44 -3.43 113.55 110.65 1n7i h SER 80 Ca -0.46 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 1n7i h SER 80 Cb 1.26 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1n7i h SER 80 CO 0.38 0.34 0.00 0.61 -1.14 0.00 0.00 176.83 177.03 1n7i n GLY 81 N -1.30 -0.46 1.88 -3.77 0.00 -1.24 -3.30 105.19 96.99 1n7i n GLY 81 Ca 0.11 -1.07 -0.17 0.00 0.00 0.00 0.00 46.02 44.89 1n7i n GLY 81 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1n7i n PRO 82 N -0.36 1.85 -4.33 1.61 -0.04 -1.26 -4.74 135.00 127.72 1n7i n PRO 82 Ca 0.00 -1.72 -0.21 0.00 -0.04 0.00 0.00 63.50 61.54 1n7i n PRO 82 Cb 0.00 -1.67 -0.11 0.00 -0.04 0.00 0.00 33.50 31.68 1n7i n PRO 82 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1n7i s THR 83 N -2.38 1.76 0.00 0.52 -4.23 -1.21 -4.83 115.64 105.27 1n7i s THR 83 Ca 0.34 -1.96 0.00 0.00 -1.18 0.00 0.00 61.69 58.88 1n7i s THR 83 Cb 0.27 -1.86 0.00 0.00 1.34 0.00 0.00 72.50 72.25 1n7i s THR 83 CO 0.01 -0.39 0.00 1.33 -0.54 0.00 0.00 174.62 175.03 1n7i n VAL 84 N 0.16 0.00 -0.46 2.29 0.24 -1.26 -4.80 118.33 114.51 1n7i n VAL 84 Ca -0.12 0.00 0.41 0.00 -2.04 0.00 0.00 64.34 62.59 1n7i n VAL 84 Cb 0.58 -0.12 0.66 0.00 -1.47 0.00 0.00 33.84 33.49 1n7i n VAL 84 CO 0.00 0.00 0.00 0.10 -2.14 0.00 0.00 176.83 174.79 1n7i h TYR 85 N 0.00 0.00 0.00 6.34 -0.00 -1.97 0.39 116.97 121.73 1n7i h TYR 85 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1n7i h TYR 85 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.12 1n7i h TYR 85 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 178.16 179.20 1n7i n GLN 86 N -3.66 0.02 0.00 0.10 3.00 -1.26 -3.47 117.38 112.12 1n7i n GLN 86 Ca 0.33 0.24 0.00 0.00 -0.01 0.00 0.00 57.00 57.56 1n7i n GLN 86 Cb 1.73 -1.54 0.00 0.00 0.00 0.00 0.00 30.24 30.43 1n7i n GLN 86 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1n7i n LEU 87 N -1.59 0.77 -0.29 1.08 4.77 0.14 -4.60 117.00 117.28 1n7i n LEU 87 Ca 0.04 -0.87 0.08 0.00 -0.03 0.00 0.00 56.01 55.23 1n7i n LEU 87 Cb 0.20 0.00 0.24 0.00 -2.33 0.00 0.00 43.42 41.53 1n7i n LEU 87 CO 0.16 0.19 1.08 -0.07 -1.33 0.00 0.00 177.39 177.42 1n7i h LEU 88 N 0.00 0.46 0.00 2.23 4.07 -1.62 0.35 115.31 120.80 1n7i h LEU 88 Ca 0.00 0.11 -0.26 0.00 0.08 0.00 0.00 57.88 57.80 1n7i h LEU 88 Cb 0.01 0.05 -0.05 0.00 1.08 0.00 0.00 40.66 41.75 1n7i h LEU 88 CO 0.00 0.16 -1.71 -1.20 -1.08 0.00 0.00 178.44 174.61 1n7i n SER 89 N -4.92 0.76 -0.02 -0.43 7.64 -1.26 -4.26 113.62 111.13 1n7i n SER 89 Ca 0.18 0.36 -0.11 0.00 1.01 0.00 0.00 58.87 60.30 1n7i n SER 89 Cb 0.48 0.14 -0.06 0.00 -1.01 0.00 0.00 64.21 63.76 1n7i n SER 89 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1n7i h ALA 90 N 1.12 0.15 -1.31 -0.43 0.00 -1.53 -3.15 119.26 114.11 1n7i h ALA 90 Ca -0.28 -0.10 0.39 0.00 0.00 0.00 0.00 54.91 54.93 1n7i h ALA 90 Cb 1.92 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 19.57 1n7i h ALA 90 CO 0.06 -0.26 0.88 0.00 0.00 0.00 0.00 179.25 179.94 1n7i h SER 92 N 0.13 0.36 -0.15 0.00 0.87 -1.78 -3.04 113.55 109.93 1n7i h SER 92 Ca 0.73 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 61.30 1n7i h SER 92 Cb 2.41 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 64.31 1n7i h SER 92 CO -0.25 0.21 0.00 1.41 -0.53 0.00 0.00 176.83 177.67 1n7i n HIS 93 N -4.47 0.18 -3.68 2.24 8.25 0.49 -4.91 115.22 113.32 1n7i n HIS 93 Ca 0.11 -0.10 -0.18 0.00 -0.26 0.00 0.00 57.72 57.30 1n7i n HIS 93 Cb 0.42 -0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.37 1n7i n HIS 93 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1n7i s PHE 94 N -1.65 -0.09 0.17 4.41 0.40 -1.15 -3.38 117.98 116.69 1n7i s PHE 94 Ca 0.29 0.47 0.16 0.00 -0.60 0.00 0.00 56.93 57.25 1n7i s PHE 94 Cb 0.19 -0.32 0.52 0.00 0.51 0.00 0.00 43.02 43.92 1n7i s PHE 94 CO 0.28 -0.23 1.66 1.05 0.70 0.00 0.00 175.22 178.68 1n7i h GLU 95 N 8.28 0.00 -4.72 0.44 4.11 -1.74 -3.42 114.58 117.53 1n7i h GLU 95 Ca -0.16 0.00 -0.69 0.00 0.07 0.00 0.00 59.36 58.59 1n7i h GLU 95 Cb 1.12 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 30.05 1n7i h GLU 95 CO 0.17 0.47 -0.67 0.34 0.07 0.00 0.00 179.01 179.40 1n7i s ASP 96 N -6.56 5.01 -0.05 3.06 2.15 -0.32 -4.57 116.67 115.39 1n7i s ASP 96 Ca 0.00 -1.36 0.06 0.00 0.43 0.00 0.00 52.55 51.67 1n7i s ASP 96 Cb 0.11 -1.75 -0.02 0.00 -0.30 0.00 0.00 42.92 40.96 1n7i s ASP 96 CO 0.72 -0.31 -0.21 -0.63 -0.17 0.00 0.00 175.17 174.56 1n7i s ILE 97 N 1.26 2.41 -0.22 4.11 1.01 0.14 -1.20 121.20 128.71 1n7i s ILE 97 Ca -0.03 -0.95 0.01 0.00 0.00 0.00 0.00 60.65 59.68 1n7i s ILE 97 Cb -0.20 -1.89 0.04 0.00 0.01 0.00 0.00 42.46 40.41 1n7i s ILE 97 CO -0.01 0.58 -0.15 -0.89 0.00 0.00 0.00 174.94 174.47 1n7i s THR 98 N -0.41 2.21 0.24 2.92 2.01 -0.56 -0.77 115.64 121.27 1n7i s THR 98 Ca 0.04 -1.21 -0.10 0.00 0.31 0.00 0.00 61.69 60.72 1n7i s THR 98 Cb -0.12 -2.10 -0.07 0.00 0.01 0.00 0.00 72.50 70.22 1n7i s THR 98 CO 0.02 0.28 0.57 -0.04 -0.69 0.00 0.00 174.62 174.76 1n7i s MET 99 N 1.22 3.83 0.20 4.92 1.00 -0.01 -0.87 119.30 129.60 1n7i s MET 99 Ca -0.01 0.33 -0.09 0.00 0.00 0.00 0.00 55.69 55.92 1n7i s MET 99 Cb -0.16 -2.64 -0.01 0.00 0.00 0.00 0.00 34.83 32.02 1n7i s MET 99 CO -0.09 0.31 0.34 0.95 0.00 0.00 0.00 175.02 176.53 1n7i s THR 100 N -1.82 0.03 0.00 2.05 -4.23 -1.02 -0.38 115.64 110.28 1n7i s THR 100 Ca 0.48 -1.49 0.00 0.00 -1.18 0.00 0.00 61.69 59.50 1n7i s THR 100 Cb -0.11 -2.09 0.00 0.00 1.34 0.00 0.00 72.50 71.63 1n7i s THR 100 CO 0.21 -0.12 0.00 -0.67 -0.54 0.00 0.00 174.62 173.50 1n7i n ASP 101 N -0.30 0.00 0.27 3.99 2.03 -1.06 0.96 116.55 122.44 1n7i n ASP 101 Ca -0.03 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.17 1n7i n ASP 101 Cb 0.63 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.98 1n7i n ASP 101 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1n7i h PHE 102 N 0.00 -0.66 -3.01 -0.67 3.57 -1.87 -2.27 116.94 112.03 1n7i h PHE 102 Ca 0.00 -0.02 -0.53 0.00 3.53 0.00 0.00 57.97 60.95 1n7i h PHE 102 Cb 0.00 0.22 0.02 0.00 2.79 0.00 0.00 35.95 38.98 1n7i h PHE 102 CO 0.00 -0.41 0.72 -0.51 -2.23 0.00 0.00 178.31 175.88 1n7i s LEU 103 N -8.20 4.37 0.30 0.59 1.43 -1.26 -4.68 118.68 111.23 1n7i s LEU 103 Ca -0.10 2.30 0.06 0.00 -1.03 0.00 0.00 54.13 55.36 1n7i s LEU 103 Cb 0.01 -3.59 0.48 0.00 0.03 0.00 0.00 46.19 43.13 1n7i s LEU 103 CO 0.31 -0.64 1.73 -0.08 0.23 0.00 0.00 176.35 177.90 1n7i h GLU 104 N 6.83 0.30 -0.89 1.70 4.81 -1.99 -2.32 114.58 123.03 1n7i h GLU 104 Ca -0.42 -0.12 0.15 0.00 -0.13 0.00 0.00 59.36 58.83 1n7i h GLU 104 Cb 1.21 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.51 1n7i h GLU 104 CO 0.86 0.61 0.57 -0.39 -0.73 0.00 0.00 179.01 179.93 1n7i h VAL 105 N 0.26 0.82 0.12 0.32 -1.51 -1.95 0.57 116.25 114.88 1n7i h VAL 105 Ca 0.03 -0.23 -0.01 0.00 -1.23 0.00 0.00 66.70 65.27 1n7i h VAL 105 Cb 0.72 0.10 0.00 0.00 -2.13 0.00 0.00 31.29 29.98 1n7i h VAL 105 CO 0.06 0.12 -0.06 0.78 -1.23 0.00 0.00 177.57 177.24 1n7i h ASN 106 N 0.66 -0.13 -0.99 4.19 2.35 -1.80 -1.04 115.58 118.83 1n7i h ASN 106 Ca 0.45 -0.43 0.28 0.00 -0.55 0.00 0.00 56.30 56.04 1n7i h ASN 106 Cb 0.75 0.03 -0.14 0.00 0.05 0.00 0.00 38.32 39.02 1n7i h ASN 106 CO -0.20 0.44 0.56 0.03 -1.65 0.00 0.00 177.43 176.61 1n7i h ARG 107 N -0.79 0.44 -0.24 0.81 3.08 -0.90 0.99 114.38 117.77 1n7i h ARG 107 Ca -0.02 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 1n7i h ARG 107 Cb 0.56 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 1n7i h ARG 107 CO 0.03 0.29 -0.04 1.96 -1.07 0.00 0.00 179.97 181.14 1n7i h GLN 108 N 0.45 0.45 -0.69 0.04 4.20 0.16 -2.07 115.11 117.65 1n7i h GLN 108 Ca 0.67 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 59.22 1n7i h GLN 108 Cb 1.40 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 29.11 1n7i h GLN 108 CO -0.54 0.66 0.40 1.49 -0.67 0.00 0.00 178.83 180.17 1n7i h GLU 109 N 0.20 0.93 -0.16 1.46 4.57 0.21 -1.75 114.58 120.04 1n7i h GLU 109 Ca 0.06 -0.08 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 1n7i h GLU 109 Cb 0.48 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 1n7i h GLU 109 CO 0.02 0.66 0.08 -0.07 -1.18 0.00 0.00 179.01 178.52 1n7i h LEU 110 N 0.95 0.21 -0.26 1.64 3.38 0.20 -3.06 115.31 118.37 1n7i h LEU 110 Ca 0.25 -0.12 0.06 0.00 0.09 0.00 0.00 57.88 58.16 1n7i h LEU 110 Cb -0.02 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.60 1n7i h LEU 110 CO -0.05 0.27 -0.24 1.23 0.09 0.00 0.00 178.44 179.74 1n7i h GLY 111 N 0.13 -0.15 -0.52 0.83 0.00 -0.62 0.66 103.07 103.40 1n7i h GLY 111 Ca 0.06 0.30 0.35 0.00 0.00 0.00 0.00 47.33 48.04 1n7i h GLY 111 CO -0.01 -0.20 0.86 3.21 0.00 0.00 0.00 176.54 180.40 1n7i h ARG 112 N -0.24 0.10 0.17 4.80 3.08 -1.27 0.42 114.38 121.44 1n7i h ARG 112 Ca 0.14 -0.01 -0.33 0.00 0.07 0.00 0.00 59.98 59.85 1n7i h ARG 112 Cb 0.46 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.49 1n7i h ARG 112 CO -0.40 0.07 -1.65 2.35 -1.07 0.00 0.00 179.97 179.27 1n7i h TRP 113 N 0.10 0.65 -0.22 3.04 7.01 -1.03 0.13 115.95 125.64 1n7i h TRP 113 Ca 0.63 -0.48 0.00 0.00 2.11 0.00 0.00 58.89 61.15 1n7i h TRP 113 Cb 2.24 -0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 29.26 1n7i h TRP 113 CO -0.00 1.64 0.14 -0.07 -2.79 0.00 0.00 178.44 177.36 1n7i h LEU 114 N -0.01 0.25 -1.82 0.65 -0.00 0.14 -2.82 115.31 111.71 1n7i h LEU 114 Ca -0.33 -0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.53 1n7i h LEU 114 Cb 2.01 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 42.60 1n7i h LEU 114 CO 0.15 0.20 0.00 0.00 -0.00 0.00 0.00 178.44 178.79 1n7i n GLN 115 N -4.93 2.41 -3.57 1.13 3.00 0.12 -4.90 117.38 110.64 1n7i n GLN 115 Ca -0.03 -1.35 -0.25 0.00 -0.01 0.00 0.00 57.00 55.36 1n7i n GLN 115 Cb 0.03 -1.63 -0.02 0.00 0.00 0.00 0.00 30.24 28.62 1n7i n GLN 115 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1n7i n GLU 116 N 0.36 -2.79 -1.52 -1.09 1.02 -1.07 -4.92 120.64 110.63 1n7i n GLU 116 Ca 0.12 0.33 -0.30 0.00 -0.02 0.00 0.00 57.16 57.30 1n7i n GLU 116 Cb 0.53 -4.99 0.19 0.00 -0.02 0.00 0.00 31.44 27.15 1n7i n GLU 116 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1n7i s GLU 117 N -6.21 0.15 0.32 3.49 2.02 0.43 -4.99 118.70 113.92 1n7i s GLU 117 Ca 0.47 -0.08 -0.29 0.00 0.02 0.00 0.00 54.97 55.08 1n7i s GLU 117 Cb -0.26 -1.76 -0.12 0.00 0.10 0.00 0.00 34.13 32.10 1n7i s GLU 117 CO 0.58 -2.79 1.49 -2.30 0.02 0.00 0.00 175.26 172.25 1n7i n PRO 118 N -4.11 2.53 -2.57 0.39 -0.02 -1.26 -3.28 135.00 126.68 1n7i n PRO 118 Ca 0.12 0.90 -0.17 0.00 -2.02 0.00 0.00 63.50 62.32 1n7i n PRO 118 Cb 0.59 -2.62 -0.00 0.00 -0.02 0.00 0.00 33.50 31.45 1n7i n PRO 118 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n7i n GLY 119 N 1.39 -0.50 3.63 -1.23 0.00 -1.26 -4.97 105.19 102.25 1n7i n GLY 119 Ca 0.06 0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1n7i n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n7i s ALA 120 N -2.83 0.79 0.10 4.61 0.00 -1.21 -4.96 121.76 118.27 1n7i s ALA 120 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 51.96 51.74 1n7i s ALA 120 Cb -0.03 -3.25 -0.06 0.00 0.00 0.00 0.00 23.12 19.78 1n7i s ALA 120 CO 0.08 -2.98 0.92 0.12 0.00 0.00 0.00 175.76 173.91 1n7i s PHE 121 N -2.73 3.80 -0.47 0.00 5.36 -1.26 -5.00 117.98 117.67 1n7i s PHE 121 Ca 0.66 1.73 -0.29 0.00 -0.96 0.00 0.00 56.93 58.07 1n7i s PHE 121 Cb -0.21 -3.01 0.03 0.00 -0.34 0.00 0.00 43.02 39.49 1n7i s PHE 121 CO 0.60 0.22 1.16 1.21 -1.46 0.00 0.00 175.22 176.94 1n7i s ASN 122 N -0.01 6.62 0.00 6.13 2.47 -1.26 -4.88 114.94 124.01 1n7i s ASN 122 Ca 0.45 0.50 0.23 0.00 0.42 0.00 0.00 52.86 54.46 1n7i s ASN 122 Cb -0.23 -2.55 0.58 0.00 -1.45 0.00 0.00 41.25 37.61 1n7i s ASN 122 CO 0.28 -1.26 1.50 0.79 -3.72 0.00 0.00 177.10 174.69 1n7i n TRP 123 N 7.90 0.84 -0.08 0.43 7.02 -1.26 -4.68 117.44 127.62 1n7i n TRP 123 Ca 0.12 -0.42 -0.03 0.00 -1.02 0.00 0.00 57.50 56.15 1n7i n TRP 123 Cb 0.49 -0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.35 1n7i n TRP 123 CO 0.00 0.00 0.00 0.77 -2.02 0.00 0.00 177.69 176.44 1n7i h SER 124 N 4.40 -0.56 -0.96 -0.99 0.02 -1.99 0.92 113.55 114.39 1n7i h SER 124 Ca 0.00 0.08 0.34 0.00 -0.84 0.00 0.00 61.79 61.37 1n7i h SER 124 Cb 1.00 0.24 -0.18 0.00 0.14 0.00 0.00 62.40 63.60 1n7i h SER 124 CO 0.00 -0.09 0.27 0.23 -1.14 0.00 0.00 176.83 176.10 1n7i n MET 125 N -3.54 -0.07 -0.03 3.45 2.81 -1.26 -0.18 117.12 118.30 1n7i n MET 125 Ca -0.00 1.39 -0.14 0.00 -1.81 0.00 0.00 57.70 57.14 1n7i n MET 125 Cb 0.08 -2.34 -0.10 0.00 -0.71 0.00 0.00 33.22 30.15 1n7i n MET 125 CO 0.00 0.00 0.00 1.88 1.51 0.00 0.00 175.97 179.36 1n7i h TYR 126 N 0.00 0.19 -0.43 2.03 -1.99 -1.47 -2.26 116.97 113.04 1n7i h TYR 126 Ca 0.70 -0.07 0.05 0.00 2.00 0.00 0.00 58.73 61.41 1n7i h TYR 126 Cb 1.69 -0.03 -0.04 0.00 2.00 0.00 0.00 36.73 40.34 1n7i h TYR 126 CO -0.25 0.70 0.17 0.77 -0.00 0.00 0.00 178.16 179.55 1n7i h SER 127 N -0.38 0.21 -0.03 3.88 0.02 0.18 -0.12 113.55 117.30 1n7i h SER 127 Ca -0.00 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1n7i h SER 127 Cb 0.70 0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.25 1n7i h SER 127 CO 0.02 0.15 0.01 1.56 -1.14 0.00 0.00 176.83 177.44 1n7i h GLN 128 N 0.35 0.04 0.00 3.45 4.20 -0.85 -0.90 115.11 121.40 1n7i h GLN 128 Ca 0.19 -0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.87 1n7i h GLN 128 Cb 0.16 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.93 1n7i h GLN 128 CO -0.18 0.08 -0.14 1.25 -0.67 0.00 0.00 178.83 179.18 1n7i h HIS 129 N -0.02 0.00 -0.38 2.96 2.76 -1.13 0.31 115.15 119.64 1n7i h HIS 129 Ca 0.01 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.07 1n7i h HIS 129 Cb 0.06 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.01 1n7i h HIS 129 CO -0.06 0.14 -0.21 0.00 -1.30 0.00 0.00 177.93 176.50 1n7i h ALA 130 N 1.86 0.54 -0.32 5.26 0.00 -0.39 -1.15 119.26 125.06 1n7i h ALA 130 Ca -0.00 -0.37 -0.17 0.00 0.00 0.00 0.00 54.91 54.37 1n7i h ALA 130 Cb 0.26 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1n7i h ALA 130 CO 0.02 0.50 -0.46 0.00 0.00 0.00 0.00 179.25 179.31 1n7i h LEU 132 N 0.68 -1.08 -0.48 0.00 3.38 -0.28 -1.91 115.31 115.62 1n7i h LEU 132 Ca 0.04 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1n7i h LEU 132 Cb 1.04 0.38 -0.02 0.00 0.09 0.00 0.00 40.66 42.15 1n7i h LEU 132 CO 0.10 -0.51 0.16 0.40 0.09 0.00 0.00 178.44 178.69 1n7i h ILE 133 N -0.73 1.22 0.00 1.22 2.04 -1.15 -2.04 117.51 118.07 1n7i h ILE 133 Ca -0.01 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 65.14 1n7i h ILE 133 Cb 0.69 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 1n7i h ILE 133 CO -0.12 0.26 0.00 -0.33 0.00 0.00 0.00 178.15 177.96 1n7i h GLU 134 N 0.63 0.00 -5.00 2.37 5.08 -0.89 -3.46 114.58 113.32 1n7i h GLU 134 Ca 0.16 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.29 1n7i h GLU 134 Cb 0.24 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.43 1n7i h GLU 134 CO -0.01 0.00 -0.31 0.41 -1.00 0.00 0.00 179.01 178.10 1n7i n GLY 135 N -0.87 -0.49 0.77 -3.84 0.00 -0.73 -4.78 105.19 95.25 1n7i n GLY 135 Ca -0.02 0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.15 1n7i n GLY 135 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n7i n LYS 136 N -3.04 2.02 -0.94 1.61 5.02 -1.26 -4.92 118.16 116.65 1n7i n LYS 136 Ca -0.03 -1.52 0.00 0.00 -2.02 0.00 0.00 58.31 54.73 1n7i n LYS 136 Cb 0.54 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 34.09 1n7i n LYS 136 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1n7i n GLY 137 N 1.27 0.92 3.78 0.72 0.00 -1.26 -5.01 105.19 105.61 1n7i n GLY 137 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1n7i n GLY 137 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1n7i s GLU 138 N -0.10 3.21 0.36 1.61 2.12 -1.26 -5.05 118.70 119.59 1n7i s GLU 138 Ca 0.00 1.48 0.01 0.00 0.36 0.00 0.00 54.97 56.81 1n7i s GLU 138 Cb 0.00 -2.00 -0.03 0.00 0.26 0.00 0.00 34.13 32.36 1n7i s GLU 138 CO 0.00 -0.93 0.56 0.00 -0.54 0.00 0.00 175.26 174.34 1n7i h TRP 140 N 0.72 0.17 -0.60 0.00 5.08 -1.92 -2.87 115.95 116.52 1n7i h TRP 140 Ca -0.49 -0.02 -0.03 0.00 1.08 0.00 0.00 58.89 59.42 1n7i h TRP 140 Cb 1.22 -0.05 -0.03 0.00 -3.00 0.00 0.00 29.16 27.31 1n7i h TRP 140 CO 0.50 0.37 0.25 1.96 -1.28 0.00 0.00 178.44 180.24 1n7i h GLN 141 N 0.15 0.90 -0.10 0.12 7.50 -1.95 0.47 115.11 122.19 1n7i h GLN 141 Ca 0.03 -0.16 0.01 0.00 0.50 0.00 0.00 58.65 59.03 1n7i h GLN 141 Cb 0.47 -0.15 -0.01 0.00 0.05 0.00 0.00 27.48 27.84 1n7i h GLN 141 CO 0.03 0.76 0.02 -0.44 -1.50 0.00 0.00 178.83 177.70 1n7i h ASP 142 N 0.84 0.01 -0.24 1.46 5.19 -1.92 0.15 116.42 121.91 1n7i h ASP 142 Ca 0.20 0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.61 1n7i h ASP 142 Cb 0.19 0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.71 1n7i h ASP 142 CO -0.02 0.02 0.10 0.50 -3.12 0.00 0.00 179.24 176.73 1n7i h LYS 143 N 0.07 0.35 -0.44 3.56 3.64 -1.31 -0.05 116.57 122.38 1n7i h LYS 143 Ca 0.05 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1n7i h LYS 143 Cb 0.04 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 1n7i h LYS 143 CO -0.06 0.39 0.29 0.93 -2.27 0.00 0.00 179.45 178.73 1n7i h GLU 144 N 0.24 0.54 -0.06 1.90 5.08 0.19 -0.82 114.58 121.65 1n7i h GLU 144 Ca 0.08 -0.03 -0.17 0.00 -1.00 0.00 0.00 59.36 58.23 1n7i h GLU 144 Cb 0.16 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1n7i h GLU 144 CO -0.01 0.36 -0.72 0.00 -1.00 0.00 0.00 179.01 177.64 1n7i h ARG 145 N 0.55 0.30 -0.02 2.33 3.08 -0.19 -1.73 114.38 118.69 1n7i h ARG 145 Ca 0.17 -0.25 -0.12 0.00 0.07 0.00 0.00 59.98 59.85 1n7i h ARG 145 Cb 0.00 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 1n7i h ARG 145 CO -0.04 0.90 -0.53 0.37 -1.07 0.00 0.00 179.97 179.59 1n7i h GLN 146 N 0.20 0.06 0.29 0.04 4.15 -0.05 -1.46 115.11 118.34 1n7i h GLN 146 Ca -0.03 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.34 1n7i h GLN 146 Cb 1.28 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.98 1n7i h GLN 146 CO 0.12 0.58 -0.14 1.25 -1.93 0.00 0.00 178.83 178.71 1n7i h LEU 147 N 0.05 -0.33 -1.18 -2.39 5.85 -1.06 -1.14 115.31 115.11 1n7i h LEU 147 Ca -0.00 -0.13 0.22 0.00 0.84 0.00 0.00 57.88 58.81 1n7i h LEU 147 Cb 0.96 0.09 -0.10 0.00 0.37 0.00 0.00 40.66 41.98 1n7i h LEU 147 CO 0.07 0.15 0.62 0.03 -0.34 0.00 0.00 178.44 178.98 1n7i h ARG 148 N -1.02 0.56 0.09 1.25 3.08 -1.33 -1.01 114.38 116.00 1n7i h ARG 148 Ca -0.04 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 1n7i h ARG 148 Cb 0.44 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1n7i h ARG 148 CO 0.07 0.37 -0.04 0.00 -1.07 0.00 0.00 179.97 179.29 1n7i h ALA 149 N 1.65 -0.12 0.00 0.04 0.00 -1.25 -3.20 119.26 116.38 1n7i h ALA 149 Ca 0.58 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1n7i h ALA 149 Cb 1.17 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1n7i h ALA 149 CO -0.35 -0.38 0.00 0.54 0.00 0.00 0.00 179.25 179.06 1n7i n ARG 150 N -4.97 0.47 -3.08 0.00 1.74 -0.43 -4.59 116.66 105.80 1n7i n ARG 150 Ca -0.08 0.04 -0.43 0.00 -0.77 0.00 0.00 57.85 56.61 1n7i n ARG 150 Cb 0.22 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.09 1n7i n ARG 150 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1n7i s VAL 151 N -2.42 4.80 -0.16 1.55 1.01 -0.47 0.28 120.40 125.00 1n7i s VAL 151 Ca 0.27 0.27 -0.18 0.00 0.00 0.00 0.00 61.98 62.35 1n7i s VAL 151 Cb 0.17 -4.20 -0.15 0.00 0.00 0.00 0.00 36.38 32.20 1n7i s VAL 151 CO 0.36 -0.56 0.25 0.11 0.00 0.00 0.00 175.10 175.25 1n7i h LYS 152 N 8.81 0.00 -3.76 2.72 1.79 -1.20 -3.48 116.57 121.45 1n7i h LYS 152 Ca -0.25 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.09 1n7i h LYS 152 Cb 1.10 0.00 -0.18 0.00 -1.58 0.00 0.00 32.23 31.57 1n7i h LYS 152 CO 0.90 0.64 -0.52 -0.98 -1.08 0.00 0.00 179.45 178.40 1n7i s ARG 153 N -2.17 0.57 -0.69 3.15 3.03 -1.25 -5.07 118.95 116.52 1n7i s ARG 153 Ca -0.19 -0.70 -0.05 0.00 2.03 0.00 0.00 55.73 56.82 1n7i s ARG 153 Cb 0.02 0.22 0.18 0.00 -1.03 0.00 0.00 34.95 34.34 1n7i s ARG 153 CO 0.45 -0.14 0.54 0.14 -1.13 0.00 0.00 175.30 175.15 1n7i s VAL 154 N -2.41 4.18 -0.03 4.99 -7.23 -1.25 -0.83 120.40 117.82 1n7i s VAL 154 Ca -0.07 -2.93 -0.21 0.00 -1.81 0.00 0.00 61.98 56.97 1n7i s VAL 154 Cb -0.02 -3.67 -0.05 0.00 0.56 0.00 0.00 36.38 33.19 1n7i s VAL 154 CO -0.04 -0.93 0.60 -0.76 -0.31 0.00 0.00 175.10 173.66 1n7i s LEU 155 N -0.12 4.39 0.44 1.32 1.43 0.49 -4.90 118.68 121.74 1n7i s LEU 155 Ca 0.18 1.13 -0.25 0.00 -1.03 0.00 0.00 54.13 54.15 1n7i s LEU 155 Cb -0.17 -2.92 -0.08 0.00 0.03 0.00 0.00 46.19 43.05 1n7i s LEU 155 CO -0.05 0.06 1.38 -2.16 0.23 0.00 0.00 176.35 175.81 1n7i s PRO 156 N 0.04 3.74 0.03 1.29 0.04 -1.26 -2.56 135.00 136.32 1n7i s PRO 156 Ca 0.31 2.32 -0.07 0.00 0.04 0.00 0.00 61.00 63.61 1n7i s PRO 156 Cb -0.18 -2.66 -0.01 0.00 0.04 0.00 0.00 34.50 31.70 1n7i s PRO 156 CO 0.17 -0.74 0.12 -1.50 0.04 0.00 0.00 177.00 175.09 1n7i s ILE 157 N -1.23 0.12 -0.14 0.56 2.07 -0.85 -4.77 121.20 116.95 1n7i s ILE 157 Ca 0.60 -0.97 -0.04 0.00 -1.41 0.00 0.00 60.65 58.83 1n7i s ILE 157 Cb -0.42 -0.80 0.05 0.00 0.13 0.00 0.00 42.46 41.43 1n7i s ILE 157 CO 0.53 -0.54 0.08 -0.62 -1.91 0.00 0.00 174.94 172.49 1n7i s ASP 158 N -1.97 2.12 0.07 4.50 -1.08 -1.26 -3.00 116.67 116.06 1n7i s ASP 158 Ca -0.07 -0.48 0.16 0.00 -0.52 0.00 0.00 52.55 51.64 1n7i s ASP 158 Cb -0.02 -0.24 0.67 0.00 -1.46 0.00 0.00 42.92 41.86 1n7i s ASP 158 CO -0.03 -0.33 1.49 1.33 0.52 0.00 0.00 175.17 178.15 1n7i n VAL 159 N 5.27 1.05 1.49 1.11 0.24 -1.26 -2.69 118.33 123.54 1n7i n VAL 159 Ca -0.06 0.28 0.14 0.00 -2.04 0.00 0.00 64.34 62.66 1n7i n VAL 159 Cb 0.49 -1.11 0.60 0.00 -1.47 0.00 0.00 33.84 32.35 1n7i n VAL 159 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1n7i n HIS 160 N -1.70 0.00 -3.62 6.34 8.25 -1.26 -4.50 115.22 118.72 1n7i n HIS 160 Ca 0.03 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.11 1n7i n HIS 160 Cb 0.16 -0.10 -0.06 0.00 1.12 0.00 0.00 29.99 31.12 1n7i n HIS 160 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1n7i s GLN 161 N -2.28 3.82 0.43 -0.41 -1.52 -1.10 -4.98 119.66 113.62 1n7i s GLN 161 Ca 0.33 0.20 0.11 0.00 -1.95 0.00 0.00 55.36 54.06 1n7i s GLN 161 Cb 0.20 -3.24 0.98 0.00 -0.22 0.00 0.00 33.01 30.73 1n7i s GLN 161 CO 0.43 0.65 2.02 -1.35 -0.25 0.00 0.00 175.29 176.79 1n7i h PRO 162 N 5.08 0.43 -2.77 2.91 0.11 -1.90 -2.12 132.00 133.74 1n7i h PRO 162 Ca -0.51 -0.03 -0.68 0.00 0.11 0.00 0.00 66.00 64.89 1n7i h PRO 162 Cb 1.21 -0.10 -0.37 0.00 0.11 0.00 0.00 31.00 31.86 1n7i h PRO 162 CO 0.62 0.29 -0.11 1.04 -0.21 0.00 0.00 178.00 179.63 1n7i n GLN 163 N -4.47 2.98 -0.69 1.05 3.00 -1.26 -4.80 117.38 113.18 1n7i n GLN 163 Ca 0.07 -4.58 -0.29 0.00 -0.01 0.00 0.00 57.00 52.19 1n7i n GLN 163 Cb 0.25 -2.37 -0.05 0.00 0.00 0.00 0.00 30.24 28.07 1n7i n GLN 163 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.06 174.76 1n7i n PRO 164 N 1.48 0.00 -0.15 -1.09 -0.02 -0.80 -3.50 135.00 130.92 1n7i n PRO 164 Ca 0.26 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 1n7i n PRO 164 Cb 0.37 -0.68 0.00 0.00 -0.02 0.00 0.00 33.50 33.17 1n7i n PRO 164 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 1n7i n LEU 165 N 2.50 0.00 0.00 2.45 -0.00 -1.20 -4.82 117.00 115.93 1n7i n LEU 165 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.20 1n7i n LEU 165 Cb -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.40 1n7i n LEU 165 CO 0.40 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.40 1n7i n GLY 166 N 0.82 4.20 0.07 1.47 0.00 -1.23 -4.85 105.19 105.67 1n7i n GLY 166 Ca 0.00 -1.07 -0.09 0.00 0.00 0.00 0.00 46.02 44.86 1n7i n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n7i n ALA 167 N -0.42 1.67 -2.95 4.61 0.00 -1.26 -4.78 120.51 117.38 1n7i n ALA 167 Ca 0.00 -0.78 -0.15 0.00 0.00 0.00 0.00 53.44 52.52 1n7i n ALA 167 Cb 0.00 0.05 0.01 0.00 0.00 0.00 0.00 19.45 19.50 1n7i n ALA 167 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n7i n GLY 168 N 2.45 1.53 3.78 0.00 0.00 -1.26 -5.15 105.19 106.54 1n7i n GLY 168 Ca -0.25 -0.69 -0.35 0.00 0.00 0.00 0.00 46.02 44.74 1n7i n GLY 168 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n7i s SER 169 N -1.56 5.86 0.00 1.61 0.01 -1.26 -4.91 113.70 113.45 1n7i s SER 169 Ca 0.33 2.11 0.09 0.00 1.31 0.00 0.00 55.95 59.79 1n7i s SER 169 Cb 0.23 -2.58 0.44 0.00 0.21 0.00 0.00 66.02 64.33 1n7i s SER 169 CO -0.15 -1.12 1.19 -2.65 0.41 0.00 0.00 173.24 170.92 1n7i n PRO 170 N -1.24 0.10 -2.78 12.44 -0.02 -1.26 -4.65 135.00 137.59 1n7i n PRO 170 Ca 0.11 0.23 -0.42 0.00 -2.02 0.00 0.00 63.50 61.40 1n7i n PRO 170 Cb 0.51 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.46 1n7i n PRO 170 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1n7i s ALA 171 N -2.65 3.64 -0.09 3.55 0.00 -1.26 -5.00 121.76 119.96 1n7i s ALA 171 Ca 0.08 0.04 -0.33 0.00 0.00 0.00 0.00 51.96 51.75 1n7i s ALA 171 Cb 0.06 -3.40 -0.11 0.00 0.00 0.00 0.00 23.12 19.67 1n7i s ALA 171 CO 0.14 -0.94 1.95 -2.30 0.00 0.00 0.00 175.76 174.61 1n7i n PRO 172 N 6.03 2.24 -5.02 0.00 -0.02 -1.26 -4.99 135.00 131.98 1n7i n PRO 172 Ca 0.08 0.80 -0.28 0.00 -2.02 0.00 0.00 63.50 62.08 1n7i n PRO 172 Cb 0.47 -2.76 -0.15 0.00 -0.02 0.00 0.00 33.50 31.03 1n7i n PRO 172 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1n7i s LEU 173 N 4.74 2.08 0.28 2.45 1.02 -1.26 -3.34 118.68 124.65 1n7i s LEU 173 Ca 0.94 -0.46 -0.29 0.00 0.02 0.00 0.00 54.13 54.34 1n7i s LEU 173 Cb -0.62 -1.16 -0.09 0.00 0.02 0.00 0.00 46.19 44.33 1n7i s LEU 173 CO 0.48 0.26 0.97 -2.84 0.02 0.00 0.00 176.35 175.24 1n7i s PRO 174 N -0.76 4.72 0.63 1.29 0.02 -1.26 -5.13 135.00 134.52 1n7i s PRO 174 Ca 0.09 1.50 -0.17 0.00 0.02 0.00 0.00 61.00 62.44 1n7i s PRO 174 Cb -0.09 -3.11 -0.02 0.00 0.02 0.00 0.00 34.50 31.31 1n7i s PRO 174 CO 0.00 0.38 1.18 0.00 -0.33 0.00 0.00 177.00 178.22 1n7i s ALA 175 N -1.31 2.45 -0.95 -1.55 0.00 0.23 -4.66 121.76 115.97 1n7i s ALA 175 Ca 0.45 0.86 0.27 0.00 0.00 0.00 0.00 51.96 53.54 1n7i s ALA 175 Cb -0.25 -3.42 0.96 0.00 0.00 0.00 0.00 23.12 20.42 1n7i s ALA 175 CO 0.31 -1.29 1.75 -0.25 0.00 0.00 0.00 175.76 176.28 1n7i n ASP 176 N -1.97 0.24 -3.48 0.00 10.43 0.25 -2.35 116.55 119.68 1n7i n ASP 176 Ca 0.13 0.30 -0.12 0.00 2.57 0.00 0.00 54.79 57.66 1n7i n ASP 176 Cb 0.50 -0.30 -0.03 0.00 1.84 0.00 0.00 41.12 43.13 1n7i n ASP 176 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1n7i s ALA 177 N -3.02 -1.72 0.06 2.24 0.00 -1.14 -3.41 121.76 114.76 1n7i s ALA 177 Ca 0.13 0.89 0.05 0.00 0.00 0.00 0.00 51.96 53.03 1n7i s ALA 177 Cb 0.18 0.44 -0.03 0.00 0.00 0.00 0.00 23.12 23.71 1n7i s ALA 177 CO 0.59 -0.63 -0.14 -0.51 0.00 0.00 0.00 175.76 175.07 1n7i s LEU 178 N -2.22 2.25 -0.08 0.00 1.43 0.13 -1.52 118.68 118.66 1n7i s LEU 178 Ca -0.01 -0.57 -0.04 0.00 -1.03 0.00 0.00 54.13 52.48 1n7i s LEU 178 Cb -0.01 -0.53 0.04 0.00 0.03 0.00 0.00 46.19 45.73 1n7i s LEU 178 CO -0.06 -0.05 0.18 -0.69 0.23 0.00 0.00 176.35 175.95 1n7i s VAL 179 N -1.17 -0.12 -0.04 -1.59 1.01 -0.67 -0.55 120.40 117.27 1n7i s VAL 179 Ca -0.01 0.22 -0.02 0.00 0.00 0.00 0.00 61.98 62.17 1n7i s VAL 179 Cb -0.09 -0.29 0.03 0.00 0.00 0.00 0.00 36.38 36.02 1n7i s VAL 179 CO 0.02 0.09 0.09 -0.55 0.00 0.00 0.00 175.10 174.75 1n7i s SER 180 N 1.53 -0.03 -0.13 3.32 0.15 -0.74 -0.81 113.70 116.99 1n7i s SER 180 Ca -0.06 0.17 0.01 0.00 0.70 0.00 0.00 55.95 56.77 1n7i s SER 180 Cb -0.11 0.08 0.02 0.00 -1.71 0.00 0.00 66.02 64.29 1n7i s SER 180 CO -0.07 -0.13 -0.13 0.00 1.20 0.00 0.00 173.24 174.12 1n7i s ALA 181 N 1.00 1.68 -1.39 5.45 0.00 -1.26 0.00 121.76 127.24 1n7i s ALA 181 Ca -0.08 -0.76 -0.10 0.00 0.00 0.00 0.00 51.96 51.01 1n7i s ALA 181 Cb -0.11 -0.94 0.07 0.00 0.00 0.00 0.00 23.12 22.14 1n7i s ALA 181 CO -0.04 -0.28 0.61 1.19 0.00 0.00 0.00 175.76 177.24 1n7i n PHE 182 N 4.60 -1.89 0.00 0.00 3.01 -0.07 -4.90 117.46 118.21 1n7i n PHE 182 Ca -0.17 0.57 0.00 0.00 1.01 0.00 0.00 57.45 58.86 1n7i n PHE 182 Cb 0.50 -3.28 0.00 0.00 -0.01 0.00 0.00 39.48 36.69 1n7i n PHE 182 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1n7i n LEU 184 N -1.49 -0.24 0.25 0.00 4.77 -1.26 0.66 117.00 119.70 1n7i n LEU 184 Ca 0.00 0.84 0.17 0.00 -0.03 0.00 0.00 56.01 56.99 1n7i n LEU 184 Cb 0.00 -0.27 0.79 0.00 -2.33 0.00 0.00 43.42 41.61 1n7i n LEU 184 CO 0.00 -0.54 1.14 1.05 -1.33 0.00 0.00 177.39 177.71 1n7i h GLU 185 N 0.00 0.00 -0.02 3.23 -0.00 -1.90 -1.22 114.58 114.66 1n7i h GLU 185 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.40 1n7i h GLU 185 Cb 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.84 1n7i h GLU 185 CO -0.21 0.00 -0.05 0.00 -0.00 0.00 0.00 179.01 178.75 1n7i n ALA 186 N -2.04 2.63 -0.12 1.06 0.00 0.21 -1.13 120.51 121.12 1n7i n ALA 186 Ca 0.01 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.89 1n7i n ALA 186 Cb 0.46 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.93 1n7i n ALA 186 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1n7i n VAL 187 N 0.60 0.00 -4.26 0.00 0.24 -0.50 -4.78 118.33 109.63 1n7i n VAL 187 Ca 0.16 -0.39 -0.34 0.00 -2.04 0.00 0.00 64.34 61.72 1n7i n VAL 187 Cb 0.47 1.12 -0.09 0.00 -1.47 0.00 0.00 33.84 33.87 1n7i n VAL 187 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1n7i s SER 188 N -0.35 5.39 0.23 -1.34 0.01 -0.97 -4.73 113.70 111.94 1n7i s SER 188 Ca 0.00 0.14 0.20 0.00 1.31 0.00 0.00 55.95 57.61 1n7i s SER 188 Cb 0.00 -1.53 0.04 0.00 0.21 0.00 0.00 66.02 64.75 1n7i s SER 188 CO 0.00 0.34 1.16 1.55 0.41 0.00 0.00 173.24 176.70 1n7i h PRO 189 N 4.79 0.00 -4.12 12.44 0.13 -1.89 -3.34 132.00 140.00 1n7i h PRO 189 Ca -0.51 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.37 1n7i h PRO 189 Cb 1.19 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.23 1n7i h PRO 189 CO 0.57 0.13 -0.22 0.16 -0.23 0.00 0.00 178.00 178.40 1n7i s ASP 190 N -5.76 0.78 0.54 1.44 1.47 -1.26 -4.73 116.67 109.15 1n7i s ASP 190 Ca 0.01 -1.42 0.36 0.00 1.18 0.00 0.00 52.55 52.67 1n7i s ASP 190 Cb 0.08 0.63 1.78 0.00 -0.34 0.00 0.00 42.92 45.07 1n7i s ASP 190 CO 0.77 -1.25 2.08 0.25 0.68 0.00 0.00 175.17 177.70 1n7i h LEU 191 N 2.16 0.00 0.18 2.11 5.85 -1.94 -2.50 115.31 121.17 1n7i h LEU 191 Ca -0.28 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 1n7i h LEU 191 Cb 1.24 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.27 1n7i h LEU 191 CO 0.39 0.00 -0.09 0.00 -0.34 0.00 0.00 178.44 178.40 1n7i h ALA 192 N 2.03 -0.37 -1.01 1.25 0.00 -2.00 -2.61 119.26 116.56 1n7i h ALA 192 Ca 0.00 -0.05 0.26 0.00 0.00 0.00 0.00 54.91 55.12 1n7i h ALA 192 Cb 0.20 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.01 1n7i h ALA 192 CO 0.00 -0.35 0.67 0.66 0.00 0.00 0.00 179.25 180.23 1n7i h SER 193 N -0.65 0.34 0.02 0.00 4.64 -1.96 0.28 113.55 116.21 1n7i h SER 193 Ca -0.02 0.05 0.02 0.00 -0.47 0.00 0.00 61.79 61.37 1n7i h SER 193 Cb 0.19 -0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.24 1n7i h SER 193 CO 0.04 0.09 -0.16 0.15 -0.87 0.00 0.00 176.83 176.08 1n7i h PHE 194 N 0.31 -0.42 0.16 4.77 3.57 -1.47 0.79 116.94 124.66 1n7i h PHE 194 Ca 0.54 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 62.05 1n7i h PHE 194 Cb 1.53 0.18 0.00 0.00 2.79 0.00 0.00 35.95 40.46 1n7i h PHE 194 CO -0.00 -0.24 -0.08 1.96 -2.23 0.00 0.00 178.31 177.72 1n7i h GLN 195 N -0.28 -0.21 -0.90 1.11 1.08 -0.11 0.10 115.11 115.91 1n7i h GLN 195 Ca 0.05 0.01 0.13 0.00 -1.45 0.00 0.00 58.65 57.39 1n7i h GLN 195 Cb 0.33 0.05 -0.09 0.00 -0.05 0.00 0.00 27.48 27.72 1n7i h GLN 195 CO -0.14 -0.14 0.51 0.00 -0.95 0.00 0.00 178.83 178.11 1n7i h ARG 196 N -0.23 0.74 -0.64 1.46 3.08 -0.72 0.20 114.38 118.28 1n7i h ARG 196 Ca -0.02 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 59.93 1n7i h ARG 196 Cb 0.18 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 1n7i h ARG 196 CO 0.04 0.49 0.17 0.00 -1.07 0.00 0.00 179.97 179.60 1n7i h ALA 197 N 1.54 1.10 -0.22 0.04 0.00 0.12 -0.93 119.26 120.92 1n7i h ALA 197 Ca 0.47 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 1n7i h ALA 197 Cb 0.58 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1n7i h ALA 197 CO -0.31 0.61 -0.12 1.25 0.00 0.00 0.00 179.25 180.67 1n7i h LEU 198 N 0.95 0.48 -0.10 0.00 5.85 0.13 -2.90 115.31 119.72 1n7i h LEU 198 Ca 0.21 -0.42 0.04 0.00 0.84 0.00 0.00 57.88 58.55 1n7i h LEU 198 Cb 0.31 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 1n7i h LEU 198 CO -0.00 0.80 -0.26 0.44 -0.34 0.00 0.00 178.44 179.08 1n7i h ASP 199 N 0.16 -0.79 -0.12 1.25 3.32 -0.44 -1.39 116.42 118.42 1n7i h ASP 199 Ca 0.05 0.12 0.01 0.00 0.02 0.00 0.00 57.03 57.23 1n7i h ASP 199 Cb 0.62 0.34 -0.02 0.00 0.22 0.00 0.00 39.33 40.49 1n7i h ASP 199 CO 0.03 -0.31 -0.14 0.45 -1.72 0.00 0.00 179.24 177.56 1n7i h HIS 200 N -0.34 -0.42 -0.19 4.55 3.86 -1.09 -1.33 115.15 120.19 1n7i h HIS 200 Ca 0.09 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.35 1n7i h HIS 200 Cb 0.48 0.20 -0.01 0.00 1.06 0.00 0.00 27.41 29.14 1n7i h HIS 200 CO -0.34 -0.11 0.13 -0.84 0.86 0.00 0.00 177.93 177.63 1n7i h ILE 201 N -0.08 0.97 -0.03 2.45 3.07 -1.49 -0.89 117.51 121.51 1n7i h ILE 201 Ca 0.02 -0.04 0.01 0.00 1.55 0.00 0.00 64.86 66.40 1n7i h ILE 201 Cb 0.14 0.84 -0.00 0.00 -0.27 0.00 0.00 36.82 37.52 1n7i h ILE 201 CO -0.16 0.02 0.05 0.74 -1.05 0.00 0.00 178.15 177.75 1n7i h THR 202 N 0.12 0.38 0.00 0.16 2.02 -0.09 -1.13 112.91 114.37 1n7i h THR 202 Ca 0.08 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.24 1n7i h THR 202 Cb 0.19 0.96 -0.00 0.00 -1.74 0.00 0.00 68.15 67.55 1n7i h THR 202 CO -0.01 0.00 -0.10 0.71 0.37 0.00 0.00 175.52 176.48 1n7i h THR 203 N 0.00 0.32 0.00 3.16 1.35 -0.80 -2.52 112.91 114.41 1n7i h THR 203 Ca 0.02 -0.68 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 1n7i h THR 203 Cb 0.11 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 1n7i h THR 203 CO -0.00 0.10 -0.20 0.18 -0.25 0.00 0.00 175.52 175.36 1n7i n LEU 204 N -3.32 0.50 -4.68 3.87 4.77 -0.43 -4.82 117.00 112.90 1n7i n LEU 204 Ca -0.00 0.40 -0.38 0.00 -0.03 0.00 0.00 56.01 56.00 1n7i n LEU 204 Cb 0.31 -0.34 -0.07 0.00 -2.33 0.00 0.00 43.42 40.99 1n7i n LEU 204 CO 0.29 -0.06 0.10 -0.22 -1.33 0.00 0.00 177.39 176.18 1n7i s LEU 205 N -3.80 4.17 0.84 2.23 2.96 -0.95 -0.60 118.68 123.54 1n7i s LEU 205 Ca 0.11 0.55 -0.13 0.00 -0.22 0.00 0.00 54.13 54.44 1n7i s LEU 205 Cb 0.15 -2.53 0.06 0.00 0.50 0.00 0.00 46.19 44.37 1n7i s LEU 205 CO 0.62 -0.06 0.85 -1.14 -1.32 0.00 0.00 176.35 175.29 1n7i n ARG 206 N 4.35 -0.01 0.00 1.98 0.63 -0.99 -4.83 116.66 117.79 1n7i n ARG 206 Ca -0.08 0.06 0.00 0.00 -0.92 0.00 0.00 57.85 56.91 1n7i n ARG 206 Cb 0.51 -2.16 0.00 0.00 0.45 0.00 0.00 32.46 31.27 1n7i n ARG 206 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1n7i n PRO 207 N -2.49 0.00 0.00 -0.14 -0.02 -1.26 -1.02 135.00 130.07 1n7i n PRO 207 Ca 0.11 0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 1n7i n PRO 207 Cb 0.51 -1.51 0.00 0.00 -0.02 0.00 0.00 33.50 32.49 1n7i n PRO 207 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n7i n GLY 208 N -0.95 1.00 3.69 -1.23 0.00 -1.25 -3.36 105.19 103.09 1n7i n GLY 208 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1n7i n GLY 208 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1n7i s GLY 209 N 0.00 1.94 0.10 -0.02 0.00 -0.19 -4.62 107.32 104.53 1n7i s GLY 209 Ca 0.00 0.72 0.04 0.00 0.00 0.00 0.00 44.72 45.48 1n7i s GLY 209 CO 0.00 1.14 0.08 0.30 0.00 0.00 0.00 173.10 174.62 1n7i s HIS 210 N -2.39 3.15 -0.09 1.90 3.76 -1.22 -2.34 115.29 118.06 1n7i s HIS 210 Ca 0.70 0.04 0.01 0.00 -0.15 0.00 0.00 55.06 55.66 1n7i s HIS 210 Cb -0.26 -1.58 0.02 0.00 1.11 0.00 0.00 32.58 31.87 1n7i s HIS 210 CO 0.54 0.52 -0.09 -1.17 -0.85 0.00 0.00 174.74 173.68 1n7i s LEU 211 N -2.53 1.35 -0.44 0.89 2.96 0.99 0.18 118.68 122.07 1n7i s LEU 211 Ca 0.29 -0.29 -0.08 0.00 -0.22 0.00 0.00 54.13 53.83 1n7i s LEU 211 Cb -0.12 -0.82 0.10 0.00 0.50 0.00 0.00 46.19 45.86 1n7i s LEU 211 CO 0.22 -0.06 0.29 -0.76 -1.32 0.00 0.00 176.35 174.72 1n7i s LEU 212 N 1.32 5.43 -0.18 -0.68 1.43 0.29 -0.20 118.68 126.10 1n7i s LEU 212 Ca -0.02 -1.78 -0.06 0.00 -1.03 0.00 0.00 54.13 51.24 1n7i s LEU 212 Cb -0.14 -1.98 -0.03 0.00 0.03 0.00 0.00 46.19 44.07 1n7i s LEU 212 CO -0.04 -0.62 0.02 -0.22 0.23 0.00 0.00 176.35 175.72 1n7i s LEU 213 N 1.35 3.50 0.10 1.79 0.20 -0.06 -1.80 118.68 123.77 1n7i s LEU 213 Ca 0.05 -0.06 0.10 0.00 0.69 0.00 0.00 54.13 54.91 1n7i s LEU 213 Cb -0.25 -1.87 -0.04 0.00 -0.43 0.00 0.00 46.19 43.60 1n7i s LEU 213 CO -0.00 0.14 -0.25 -0.63 -0.29 0.00 0.00 176.35 175.32 1n7i s ILE 214 N 0.55 2.04 0.23 6.68 1.01 0.10 -0.29 121.20 131.51 1n7i s ILE 214 Ca 0.00 -1.59 -0.21 0.00 0.00 0.00 0.00 60.65 58.84 1n7i s ILE 214 Cb -0.14 -1.80 0.06 0.00 0.01 0.00 0.00 42.46 40.60 1n7i s ILE 214 CO 0.02 0.10 0.94 -0.83 0.00 0.00 0.00 174.94 175.17 1n7i s GLY 215 N -1.82 0.06 0.08 6.18 0.00 -0.89 -0.89 107.32 110.04 1n7i s GLY 215 Ca 0.11 -0.30 -0.21 0.00 0.00 0.00 0.00 44.72 44.32 1n7i s GLY 215 CO 0.05 0.94 0.62 0.00 0.00 0.00 0.00 173.10 174.71 1n7i s ALA 216 N -2.64 3.54 -0.23 3.20 0.00 -1.26 -2.06 121.76 122.30 1n7i s ALA 216 Ca 0.17 0.11 -0.08 0.00 0.00 0.00 0.00 51.96 52.15 1n7i s ALA 216 Cb -0.03 -2.73 -0.04 0.00 0.00 0.00 0.00 23.12 20.32 1n7i s ALA 216 CO 0.06 0.33 0.10 -1.17 0.00 0.00 0.00 175.76 175.08 1n7i s LEU 217 N -0.92 3.75 -1.52 0.00 2.96 0.11 -4.54 118.68 118.52 1n7i s LEU 217 Ca 0.31 -0.04 -0.12 0.00 -0.22 0.00 0.00 54.13 54.06 1n7i s LEU 217 Cb -0.20 -2.00 0.08 0.00 0.50 0.00 0.00 46.19 44.57 1n7i s LEU 217 CO 0.20 0.04 0.89 -0.62 -1.32 0.00 0.00 176.35 175.54 1n7i n GLU 218 N 4.46 -4.97 -4.10 1.98 -0.58 0.14 -2.43 120.64 115.15 1n7i n GLU 218 Ca -0.16 0.56 -0.27 0.00 -0.42 0.00 0.00 57.16 56.86 1n7i n GLU 218 Cb 0.52 -5.34 -0.06 0.00 -0.57 0.00 0.00 31.44 25.99 1n7i n GLU 218 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 1n7i s GLU 219 N -6.58 2.80 0.00 3.49 -1.05 -1.26 -4.30 118.70 111.80 1n7i s GLU 219 Ca 0.55 -0.86 0.00 0.00 -0.15 0.00 0.00 54.97 54.51 1n7i s GLU 219 Cb -0.28 -2.62 0.00 0.00 -0.44 0.00 0.00 34.13 30.79 1n7i s GLU 219 CO 0.85 0.50 0.20 -1.13 0.95 0.00 0.00 175.26 176.63 1n7i n SER 220 N -0.08 0.41 -3.57 0.83 3.41 -1.26 -1.58 113.62 111.77 1n7i n SER 220 Ca -0.09 -0.86 -0.06 0.00 -0.26 0.00 0.00 58.87 57.61 1n7i n SER 220 Cb 0.54 0.09 -0.02 0.00 -0.26 0.00 0.00 64.21 64.56 1n7i n SER 220 CO 0.00 0.00 0.00 -1.66 -0.16 0.00 0.00 175.04 173.22 1n7i s TRP 221 N -0.09 -0.19 -0.28 7.33 1.48 -1.26 -1.74 118.94 124.19 1n7i s TRP 221 Ca 0.00 0.15 -0.21 0.00 -1.06 0.00 0.00 56.10 54.98 1n7i s TRP 221 Cb 0.00 0.52 0.09 0.00 -1.16 0.00 0.00 33.47 32.92 1n7i s TRP 221 CO 0.00 -0.29 0.81 1.52 -4.06 0.00 0.00 176.95 174.94 1n7i s TYR 222 N -2.44 -0.78 0.76 1.66 -0.85 -1.11 -3.13 117.35 111.47 1n7i s TYR 222 Ca 0.08 1.72 -0.11 0.00 -0.52 0.00 0.00 57.07 58.23 1n7i s TYR 222 Cb -0.01 0.41 0.05 0.00 0.38 0.00 0.00 41.96 42.79 1n7i s TYR 222 CO -0.05 -0.38 1.09 -0.51 -1.52 0.00 0.00 175.55 174.18 1n7i s LEU 223 N 0.86 2.74 -0.40 -3.49 1.43 0.16 -2.64 118.68 117.34 1n7i s LEU 223 Ca -0.04 1.29 0.02 0.00 -1.03 0.00 0.00 54.13 54.37 1n7i s LEU 223 Cb -0.05 -3.98 0.27 0.00 0.03 0.00 0.00 46.19 42.46 1n7i s LEU 223 CO -0.09 -1.74 1.11 0.00 0.23 0.00 0.00 176.35 175.86 1n7i n ALA 224 N -3.28 -2.56 -0.17 4.21 0.00 -1.05 -4.83 120.51 112.83 1n7i n ALA 224 Ca 0.07 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.71 1n7i n ALA 224 Cb 0.56 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.63 1n7i n ALA 224 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n7i n GLY 225 N 1.44 0.57 0.28 0.00 0.00 -1.26 -2.41 105.19 103.81 1n7i n GLY 225 Ca 0.04 -0.89 0.14 0.00 0.00 0.00 0.00 46.02 45.32 1n7i n GLY 225 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1n7i h GLU 226 N 0.00 0.00 -7.11 1.61 4.57 -1.96 -3.44 114.58 108.25 1n7i h GLU 226 Ca 0.00 0.00 -0.46 0.00 -1.18 0.00 0.00 59.36 57.72 1n7i h GLU 226 Cb 0.00 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.60 1n7i h GLU 226 CO 0.00 0.07 0.36 0.00 -1.18 0.00 0.00 179.01 178.26 1n7i s ALA 227 N -4.32 2.99 -0.22 2.92 0.00 -1.20 -5.03 121.76 116.90 1n7i s ALA 227 Ca -0.04 0.37 -0.03 0.00 0.00 0.00 0.00 51.96 52.27 1n7i s ALA 227 Cb 0.14 -3.17 0.07 0.00 0.00 0.00 0.00 23.12 20.16 1n7i s ALA 227 CO 0.56 -0.13 0.06 0.50 0.00 0.00 0.00 175.76 176.74 1n7i s ARG 228 N -3.53 0.56 0.05 0.00 3.00 -1.26 -2.53 118.95 115.23 1n7i s ARG 228 Ca 0.62 -0.50 -0.20 0.00 -1.00 0.00 0.00 55.73 54.64 1n7i s ARG 228 Cb -0.11 -1.98 -0.06 0.00 0.00 0.00 0.00 34.95 32.80 1n7i s ARG 228 CO 0.22 -0.73 0.60 -0.51 0.00 0.00 0.00 175.30 174.87 1n7i s LEU 229 N 1.87 4.49 -0.12 -0.88 2.01 -1.08 -4.97 118.68 120.00 1n7i s LEU 229 Ca 0.02 1.26 -0.16 0.00 0.01 0.00 0.00 54.13 55.26 1n7i s LEU 229 Cb -0.17 -2.95 -0.05 0.00 0.01 0.00 0.00 46.19 43.04 1n7i s LEU 229 CO -0.14 0.19 0.38 -0.89 1.01 0.00 0.00 176.35 176.91 1n7i s THR 230 N -0.71 5.22 0.26 5.49 2.01 -1.26 -2.77 115.64 123.87 1n7i s THR 230 Ca 0.31 0.76 0.06 0.00 0.31 0.00 0.00 61.69 63.12 1n7i s THR 230 Cb -0.19 -3.72 -0.05 0.00 0.01 0.00 0.00 72.50 68.54 1n7i s THR 230 CO 0.19 0.39 -0.04 0.68 -0.69 0.00 0.00 174.62 175.15 1n7i s VAL 231 N 0.30 1.42 -0.45 3.82 -7.23 -0.71 -4.64 120.40 112.91 1n7i s VAL 231 Ca 0.21 -2.09 -0.18 0.00 -1.81 0.00 0.00 61.98 58.11 1n7i s VAL 231 Cb -0.14 -2.38 0.04 0.00 0.56 0.00 0.00 36.38 34.45 1n7i s VAL 231 CO 0.08 -0.33 0.51 -0.69 -0.31 0.00 0.00 175.10 174.35 1n7i s VAL 232 N -3.16 5.02 0.03 1.32 1.01 -0.29 -4.42 120.40 119.92 1n7i s VAL 232 Ca 0.28 -0.41 -0.30 0.00 0.00 0.00 0.00 61.98 61.56 1n7i s VAL 232 Cb 0.04 -4.14 -0.08 0.00 0.00 0.00 0.00 36.38 32.20 1n7i s VAL 232 CO 0.10 -0.56 1.80 -2.16 0.00 0.00 0.00 175.10 174.28 1n7i s PRO 233 N 2.29 4.16 0.21 2.72 0.04 -0.61 -4.60 135.00 139.21 1n7i s PRO 233 Ca 0.13 2.45 0.06 0.00 0.04 0.00 0.00 61.00 63.68 1n7i s PRO 233 Cb -0.18 -3.91 -0.05 0.00 0.04 0.00 0.00 34.50 30.40 1n7i s PRO 233 CO 0.13 -0.86 -0.10 0.14 0.04 0.00 0.00 177.00 176.35 1n7i s VAL 234 N 3.71 1.51 0.39 -0.36 -7.23 -1.26 -4.77 120.40 112.38 1n7i s VAL 234 Ca 0.80 -2.14 0.08 0.00 -1.81 0.00 0.00 61.98 58.91 1n7i s VAL 234 Cb -0.40 -2.13 -0.07 0.00 0.56 0.00 0.00 36.38 34.34 1n7i s VAL 234 CO 0.36 -0.53 0.01 -0.94 -0.31 0.00 0.00 175.10 173.68 1n7i s SER 235 N -3.31 3.94 0.24 4.85 1.04 -1.26 0.28 113.70 119.48 1n7i s SER 235 Ca 0.24 -1.26 -0.06 0.00 0.48 0.00 0.00 55.95 55.35 1n7i s SER 235 Cb 0.02 -0.41 0.29 0.00 0.10 0.00 0.00 66.02 66.01 1n7i s SER 235 CO 0.07 -0.38 1.89 -0.08 0.98 0.00 0.00 173.24 175.72 1n7i h GLU 236 N 1.79 1.15 0.00 4.02 4.81 -1.99 0.25 114.58 124.61 1n7i h GLU 236 Ca -0.43 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 58.62 1n7i h GLU 236 Cb 1.24 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 30.35 1n7i h GLU 236 CO 0.76 0.76 -0.52 0.93 -0.73 0.00 0.00 179.01 180.20 1n7i h GLU 237 N 1.18 0.00 0.10 1.92 3.07 -1.98 0.77 114.58 119.64 1n7i h GLU 237 Ca 0.37 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.22 1n7i h GLU 237 Cb -0.02 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.90 1n7i h GLU 237 CO -0.11 0.52 -0.05 0.93 -1.40 0.00 0.00 179.01 178.90 1n7i h GLU 238 N 0.00 -0.13 -0.79 2.33 5.08 -1.80 -0.67 114.58 118.59 1n7i h GLU 238 Ca -0.01 0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.51 1n7i h GLU 238 Cb 0.98 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 30.17 1n7i h GLU 238 CO 0.07 0.36 0.36 0.28 -1.00 0.00 0.00 179.01 179.08 1n7i h VAL 239 N -0.76 0.68 0.74 3.13 2.07 -0.87 0.12 116.25 121.37 1n7i h VAL 239 Ca -0.01 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 1n7i h VAL 239 Cb 0.56 0.13 0.01 0.00 -1.52 0.00 0.00 31.29 30.46 1n7i h VAL 239 CO 0.02 0.09 -0.36 -0.09 0.02 0.00 0.00 177.57 177.26 1n7i h ARG 240 N 0.51 -0.96 -0.95 1.57 2.43 -0.76 -1.24 114.38 114.98 1n7i h ARG 240 Ca 0.44 0.07 0.29 0.00 -0.81 0.00 0.00 59.98 59.96 1n7i h ARG 240 Cb 0.64 0.22 -0.15 0.00 -0.42 0.00 0.00 29.97 30.26 1n7i h ARG 240 CO -0.39 -0.64 0.42 0.93 -1.51 0.00 0.00 179.97 178.78 1n7i h GLU 241 N -1.04 0.26 -0.33 0.20 5.08 -0.47 0.97 114.58 119.25 1n7i h GLU 241 Ca -0.10 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 1n7i h GLU 241 Cb 0.76 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1n7i h GLU 241 CO 0.17 0.17 0.10 0.00 -1.00 0.00 0.00 179.01 178.45 1n7i h ALA 242 N 1.83 0.43 -0.65 3.43 0.00 -0.53 0.54 119.26 124.31 1n7i h ALA 242 Ca 0.66 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.44 1n7i h ALA 242 Cb 1.45 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 19.06 1n7i h ALA 242 CO -0.64 0.08 0.39 -0.07 0.00 0.00 0.00 179.25 179.01 1n7i h LEU 243 N 0.38 0.63 0.76 0.00 3.38 0.37 -1.08 115.31 119.75 1n7i h LEU 243 Ca 0.11 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 1n7i h LEU 243 Cb 0.26 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 40.89 1n7i h LEU 243 CO -0.00 0.43 -0.37 0.58 0.09 0.00 0.00 178.44 179.17 1n7i h VAL 244 N 0.76 0.08 0.00 1.22 2.07 -0.89 -0.57 116.25 118.92 1n7i h VAL 244 Ca 0.27 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.57 1n7i h VAL 244 Cb 0.06 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 29.93 1n7i h VAL 244 CO -0.12 0.01 0.05 0.54 0.02 0.00 0.00 177.57 178.07 1n7i n ARG 245 N -5.47 0.00 0.00 1.57 3.00 0.19 0.85 116.66 116.80 1n7i n ARG 245 Ca -0.13 0.18 0.07 0.00 -0.01 0.00 0.00 57.85 57.96 1n7i n ARG 245 Cb 0.41 -1.55 0.02 0.00 0.00 0.00 0.00 32.46 31.35 1n7i n ARG 245 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1n7i n SER 246 N -1.12 1.78 0.00 0.55 2.88 -0.43 -4.97 113.62 112.31 1n7i n SER 246 Ca 0.00 -1.39 0.00 0.00 -1.33 0.00 0.00 58.87 56.15 1n7i n SER 246 Cb 0.05 0.27 0.00 0.00 -0.75 0.00 0.00 64.21 63.78 1n7i n SER 246 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1n7i n GLY 247 N 0.95 1.08 3.95 0.46 0.00 0.25 -4.94 105.19 106.94 1n7i n GLY 247 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 1n7i n GLY 247 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1n7i s TYR 248 N -2.00 3.44 -0.34 1.61 2.02 -0.27 -1.94 117.35 119.87 1n7i s TYR 248 Ca 0.00 0.23 -0.01 0.00 -0.37 0.00 0.00 57.07 56.92 1n7i s TYR 248 Cb 0.00 -1.88 0.08 0.00 -0.40 0.00 0.00 41.96 39.76 1n7i s TYR 248 CO 0.00 0.13 0.07 0.21 -1.57 0.00 0.00 175.55 174.39 1n7i s LYS 249 N -4.27 2.13 0.06 -0.62 2.20 0.20 -4.29 119.74 115.16 1n7i s LYS 249 Ca 0.40 -1.55 -0.31 0.00 -0.36 0.00 0.00 55.97 54.15 1n7i s LYS 249 Cb -0.09 -3.31 -0.07 0.00 -1.51 0.00 0.00 37.83 32.84 1n7i s LYS 249 CO 0.35 -0.82 1.54 0.14 -0.36 0.00 0.00 175.35 176.19 1n7i s VAL 250 N 1.15 3.25 -0.24 4.02 -7.23 -1.26 -1.88 120.40 118.21 1n7i s VAL 250 Ca 0.02 0.73 -0.10 0.00 -1.81 0.00 0.00 61.98 60.82 1n7i s VAL 250 Cb -0.21 -3.47 -0.17 0.00 0.56 0.00 0.00 36.38 33.10 1n7i s VAL 250 CO -0.03 0.01 -0.12 0.54 -0.31 0.00 0.00 175.10 175.19 1n7i n ARG 251 N 5.23 0.63 -3.81 4.82 5.12 0.27 -4.98 116.66 123.94 1n7i n ARG 251 Ca 0.14 0.29 -0.13 0.00 -1.93 0.00 0.00 57.85 56.22 1n7i n ARG 251 Cb 0.42 -1.58 -0.14 0.00 -1.16 0.00 0.00 32.46 30.00 1n7i n ARG 251 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1n7i s ASP 252 N -7.05 -0.10 -0.28 0.55 2.15 -1.15 -4.98 116.67 105.81 1n7i s ASP 252 Ca -0.34 0.22 -0.03 0.00 0.43 0.00 0.00 52.55 52.84 1n7i s ASP 252 Cb 0.10 0.19 0.11 0.00 -0.30 0.00 0.00 42.92 43.02 1n7i s ASP 252 CO 0.58 -0.07 0.18 -0.22 -0.17 0.00 0.00 175.17 175.47 1n7i s LEU 253 N 0.41 0.28 0.12 -1.34 2.96 -1.26 -0.81 118.68 119.05 1n7i s LEU 253 Ca -0.03 -1.08 0.07 0.00 -0.22 0.00 0.00 54.13 52.88 1n7i s LEU 253 Cb -0.04 -0.07 -0.04 0.00 0.50 0.00 0.00 46.19 46.54 1n7i s LEU 253 CO -0.02 -0.42 -0.09 -0.13 -1.32 0.00 0.00 176.35 174.38 1n7i s ARG 254 N 2.19 2.16 -0.07 1.98 0.52 -0.32 -4.96 118.95 120.45 1n7i s ARG 254 Ca 0.09 -1.05 0.01 0.00 -0.52 0.00 0.00 55.73 54.26 1n7i s ARG 254 Cb -0.15 -2.31 0.02 0.00 0.52 0.00 0.00 34.95 33.03 1n7i s ARG 254 CO -0.34 0.50 -0.07 -0.08 0.02 0.00 0.00 175.30 175.33 1n7i s THR 255 N -1.31 0.80 -0.05 0.02 -1.32 -1.26 -0.65 115.64 111.86 1n7i s THR 255 Ca 0.22 -0.23 -0.13 0.00 -1.21 0.00 0.00 61.69 60.34 1n7i s THR 255 Cb -0.11 -0.80 -0.05 0.00 -1.51 0.00 0.00 72.50 70.03 1n7i s THR 255 CO 0.15 0.30 0.34 -0.47 -2.21 0.00 0.00 174.62 172.72 1n7i s TYR 256 N 1.14 3.66 -0.25 9.09 5.04 0.15 -4.91 117.35 131.28 1n7i s TYR 256 Ca -0.07 0.84 -0.08 0.00 -2.44 0.00 0.00 57.07 55.32 1n7i s TYR 256 Cb -0.14 -2.23 -0.03 0.00 0.35 0.00 0.00 41.96 39.91 1n7i s TYR 256 CO -0.01 0.60 0.09 0.42 -1.34 0.00 0.00 175.55 175.30 1n7i s ILE 257 N -0.81 4.51 -0.14 3.14 1.01 -1.26 0.75 121.20 128.40 1n7i s ILE 257 Ca 0.21 -0.11 -0.35 0.00 0.00 0.00 0.00 60.65 60.40 1n7i s ILE 257 Cb -0.15 -3.11 -0.12 0.00 0.01 0.00 0.00 42.46 39.09 1n7i s ILE 257 CO 0.10 0.34 1.89 0.23 0.00 0.00 0.00 174.94 177.50 1n7i n MET 258 N 4.78 1.95 -1.32 2.79 2.81 -0.34 -4.94 117.12 122.84 1n7i n MET 258 Ca -0.16 0.70 -0.29 0.00 -1.81 0.00 0.00 57.70 56.15 1n7i n MET 258 Cb 0.52 -2.56 0.17 0.00 -0.71 0.00 0.00 33.22 30.64 1n7i n MET 258 CO 0.00 0.00 0.00 -2.14 1.51 0.00 0.00 175.97 175.34 1n7i s PRO 259 N 4.20 0.42 0.03 0.03 0.02 -1.26 -4.92 135.00 133.52 1n7i s PRO 259 Ca 0.95 0.29 -0.29 0.00 0.02 0.00 0.00 61.00 61.97 1n7i s PRO 259 Cb -0.75 -1.75 -0.17 0.00 0.02 0.00 0.00 34.50 31.84 1n7i s PRO 259 CO 0.54 -2.69 1.28 0.00 -0.33 0.00 0.00 177.00 175.80 1n7i h ALA 260 N -1.86 -0.92 0.00 -1.55 0.00 -1.95 -2.92 119.26 110.07 1n7i h ALA 260 Ca -0.52 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.18 1n7i h ALA 260 Cb 1.32 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1n7i h ALA 260 CO 0.55 -0.91 0.33 1.12 0.00 0.00 0.00 179.25 180.34 1n7i h HIS 261 N -1.13 0.00 -0.41 0.00 2.07 -2.03 0.77 115.15 114.42 1n7i h HIS 261 Ca -0.09 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.43 1n7i h HIS 261 Cb 0.74 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.72 1n7i h HIS 261 CO -0.00 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.14 1n7i n LEU 262 N -2.18 3.32 -4.31 6.12 4.77 -1.11 -4.71 117.00 118.90 1n7i n LEU 262 Ca -0.01 -1.64 -0.46 0.00 -0.03 0.00 0.00 56.01 53.86 1n7i n LEU 262 Cb 0.35 -0.27 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 1n7i n LEU 262 CO 0.07 0.76 0.39 -1.10 -1.33 0.00 0.00 177.39 176.17 1n7i s GLN 263 N -1.24 3.51 0.00 3.23 -0.21 0.27 -4.91 119.66 120.31 1n7i s GLN 263 Ca 0.35 -2.45 0.00 0.00 0.02 0.00 0.00 55.36 53.29 1n7i s GLN 263 Cb 0.20 -4.37 0.00 0.00 1.00 0.00 0.00 33.01 29.84 1n7i s GLN 263 CO 0.27 -1.28 0.00 0.25 -2.12 0.00 0.00 175.29 172.41 1n7i n THR 264 N 3.97 0.00 -1.27 -0.19 -2.24 -1.26 -5.01 114.28 108.28 1n7i n THR 264 Ca 0.13 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.61 1n7i n THR 264 Cb 0.46 -1.07 0.12 0.00 -2.10 0.00 0.00 70.33 67.74 1n7i n THR 264 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n7i n GLY 265 N 5.00 5.22 0.13 3.38 0.00 -1.26 -4.34 105.19 113.31 1n7i n GLY 265 Ca 0.00 -1.73 0.10 0.00 0.00 0.00 0.00 46.02 44.39 1n7i n GLY 265 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1n7i n VAL 266 N -1.00 0.00 -3.75 1.61 0.24 -1.26 -4.88 118.33 109.28 1n7i n VAL 266 Ca 0.61 -0.07 -0.01 0.00 -2.04 0.00 0.00 64.34 62.84 1n7i n VAL 266 Cb 1.12 1.00 0.01 0.00 -1.47 0.00 0.00 33.84 34.50 1n7i n VAL 266 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1n7i n ASP 267 N -1.12 -0.80 -0.83 -1.34 5.68 -1.26 0.38 116.55 117.26 1n7i n ASP 267 Ca 0.06 -1.35 0.05 0.00 -0.50 0.00 0.00 54.79 53.04 1n7i n ASP 267 Cb 0.36 1.28 0.12 0.00 -1.14 0.00 0.00 41.12 41.75 1n7i n ASP 267 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1n7i n ASP 268 N -0.84 1.41 -4.61 -1.12 3.85 -1.18 -4.82 116.55 109.23 1n7i n ASP 268 Ca 0.00 -3.02 -0.41 0.00 -0.71 0.00 0.00 54.79 50.65 1n7i n ASP 268 Cb 0.30 -0.41 0.01 0.00 -1.35 0.00 0.00 41.12 39.67 1n7i n ASP 268 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.20 176.71 1n7i n VAL 269 N -0.53 2.51 -0.07 2.12 0.31 -1.26 -4.62 118.33 116.80 1n7i n VAL 269 Ca 0.13 -0.50 -0.08 0.00 -0.01 0.00 0.00 64.34 63.88 1n7i n VAL 269 Cb 0.84 -1.17 -0.11 0.00 -0.91 0.00 0.00 33.84 32.49 1n7i n VAL 269 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1n7i n LYS 270 N 0.08 1.43 -3.88 5.55 4.76 -1.02 -4.89 118.16 120.19 1n7i n LYS 270 Ca 0.09 0.02 -0.05 0.00 -2.87 0.00 0.00 58.31 55.51 1n7i n LYS 270 Cb 0.40 -1.36 0.02 0.00 -1.84 0.00 0.00 35.03 32.25 1n7i n LYS 270 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1n7i s GLY 271 N -4.95 0.21 -0.00 0.72 0.00 -1.19 -1.20 107.32 100.91 1n7i s GLY 271 Ca -0.11 -0.49 0.02 0.00 0.00 0.00 0.00 44.72 44.14 1n7i s GLY 271 CO 0.54 1.97 -0.05 0.14 0.00 0.00 0.00 173.10 175.71 1n7i s VAL 272 N -2.10 0.39 0.12 1.40 1.01 0.23 -0.71 120.40 120.75 1n7i s VAL 272 Ca 0.21 -0.21 0.06 0.00 0.00 0.00 0.00 61.98 62.04 1n7i s VAL 272 Cb -0.03 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 1n7i s VAL 272 CO 0.07 0.11 0.01 0.72 0.00 0.00 0.00 175.10 176.01 1n7i s PHE 273 N -0.09 2.95 -0.07 5.22 -0.12 -0.87 0.31 117.98 125.31 1n7i s PHE 273 Ca 0.02 -0.06 0.00 0.00 -0.05 0.00 0.00 56.93 56.83 1n7i s PHE 273 Cb -0.02 -1.48 0.02 0.00 -0.63 0.00 0.00 43.02 40.91 1n7i s PHE 273 CO -0.00 0.49 -0.04 0.12 -0.05 0.00 0.00 175.22 175.74 1n7i s PHE 274 N -1.47 0.96 -0.07 3.49 5.36 0.17 -2.08 117.98 124.34 1n7i s PHE 274 Ca 0.27 -0.35 0.03 0.00 -0.96 0.00 0.00 56.93 55.92 1n7i s PHE 274 Cb -0.11 -0.87 0.01 0.00 -0.34 0.00 0.00 43.02 41.71 1n7i s PHE 274 CO 0.19 -0.31 -0.14 0.00 -1.46 0.00 0.00 175.22 173.49 1n7i s ALA 275 N 1.40 1.39 -0.49 11.12 0.00 0.60 -1.18 121.76 134.59 1n7i s ALA 275 Ca -0.03 -0.51 -0.09 0.00 0.00 0.00 0.00 51.96 51.34 1n7i s ALA 275 Cb -0.13 -0.58 0.13 0.00 0.00 0.00 0.00 23.12 22.53 1n7i s ALA 275 CO -0.03 0.16 0.36 -0.46 0.00 0.00 0.00 175.76 175.79 1n7i s TRP 276 N 0.54 3.45 0.05 0.00 -0.00 0.01 -0.88 118.94 122.12 1n7i s TRP 276 Ca -0.14 -1.96 0.02 0.00 -0.00 0.00 0.00 56.10 54.03 1n7i s TRP 276 Cb -0.15 -3.48 -0.04 0.00 -0.00 0.00 0.00 33.47 29.79 1n7i s TRP 276 CO 0.04 -0.99 0.05 0.00 -0.00 0.00 0.00 176.95 176.06 1n7i s ALA 277 N 1.21 3.48 -0.10 5.86 0.00 0.73 -0.57 121.76 132.37 1n7i s ALA 277 Ca 0.07 -1.00 -0.01 0.00 0.00 0.00 0.00 51.96 51.03 1n7i s ALA 277 Cb -0.25 -1.40 0.03 0.00 0.00 0.00 0.00 23.12 21.49 1n7i s ALA 277 CO -0.01 0.72 -0.06 -1.14 0.00 0.00 0.00 175.76 175.26 1n7i s GLN 278 N -2.13 1.31 -0.13 0.00 0.74 -0.79 -0.00 119.66 118.65 1n7i s GLN 278 Ca 0.26 -0.17 -0.29 0.00 0.05 0.00 0.00 55.36 55.21 1n7i s GLN 278 Cb -0.12 -1.43 -0.06 0.00 1.10 0.00 0.00 33.01 32.50 1n7i s GLN 278 CO 0.18 -0.27 2.07 -1.59 -0.55 0.00 0.00 175.29 175.14 1n7i s LYS 279 N 1.74 3.55 0.21 1.67 0.00 -0.99 0.62 119.74 126.55 1n7i s LYS 279 Ca 0.04 2.20 -0.32 0.00 0.00 0.00 0.00 55.97 57.89 1n7i s LYS 279 Cb -0.13 -4.27 -0.13 0.00 0.00 0.00 0.00 37.83 33.30 1n7i s LYS 279 CO -0.07 -1.63 1.56 1.55 0.00 0.00 0.00 175.35 176.76 1n7i n VAL 280 N 6.85 0.41 -2.90 1.79 3.14 -0.82 -3.86 118.33 122.93 1n7i n VAL 280 Ca 0.25 -0.10 -0.43 0.00 -2.96 0.00 0.00 64.34 61.11 1n7i n VAL 280 Cb 0.44 -1.65 0.01 0.00 -1.06 0.00 0.00 33.84 31.58 1n7i n VAL 280 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1n7i n GLY 281 N 2.97 5.41 0.00 7.55 0.00 -1.21 -4.84 105.19 115.07 1n7i n GLY 281 Ca 0.14 -2.64 0.00 0.00 0.00 0.00 0.00 46.02 43.52 1n7i n GLY 281 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79