#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n2l s MET 2 N 0.00 3.29 0.85 0.03 0.00 -1.26 -5.01 119.30 117.20 3n2l s MET 2 Ca 0.00 1.62 -0.11 0.00 0.00 0.00 0.00 55.69 57.20 3n2l s MET 2 Cb 0.00 -2.00 0.10 0.00 0.00 0.00 0.00 34.83 32.93 3n2l s MET 2 CO 0.00 -0.90 1.09 0.15 0.00 0.00 0.00 175.02 175.37 3n2l s LYS 3 N -3.33 1.64 0.19 3.16 -0.14 -1.26 -4.82 119.74 115.18 3n2l s LYS 3 Ca 0.73 1.00 -0.13 0.00 -1.36 0.00 0.00 55.97 56.20 3n2l s LYS 3 Cb -0.24 -1.84 0.20 0.00 -1.68 0.00 0.00 37.83 34.27 3n2l s LYS 3 CO 0.28 -2.02 1.69 0.00 -0.76 0.00 0.00 175.35 174.54 3n2l h ALA 4 N -1.40 0.51 0.00 5.17 0.00 -2.00 -1.13 119.26 120.42 3n2l h ALA 4 Ca -0.47 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 3n2l h ALA 4 Cb 1.26 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 3n2l h ALA 4 CO 0.53 -0.36 -0.10 0.10 0.00 0.00 0.00 179.25 179.41 3n2l h TYR 5 N 0.16 0.00 -0.18 0.00 -0.00 -1.98 0.83 116.97 115.78 3n2l h TYR 5 Ca 0.26 0.00 -0.21 0.00 0.00 0.00 0.00 58.73 58.78 3n2l h TYR 5 Cb 0.38 0.00 0.01 0.00 0.00 0.00 0.00 36.73 37.12 3n2l h TYR 5 CO -0.29 0.10 -0.71 1.96 -0.00 0.00 0.00 178.16 179.23 3n2l h GLN 6 N 0.00 0.77 -0.06 0.10 4.20 -1.55 0.36 115.11 118.93 3n2l h GLN 6 Ca -0.00 -0.58 -0.02 0.00 0.06 0.00 0.00 58.65 58.11 3n2l h GLN 6 Cb 0.18 0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.07 3n2l h GLN 6 CO 0.01 1.20 -0.04 -0.09 -0.67 0.00 0.00 178.83 179.25 3n2l h ARG 7 N 0.55 0.14 -0.82 1.46 2.43 -0.81 -2.54 114.38 114.78 3n2l h ARG 7 Ca -0.03 -0.06 0.04 0.00 -0.81 0.00 0.00 59.98 59.12 3n2l h ARG 7 Cb 1.32 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.82 3n2l h ARG 7 CO 0.15 0.53 0.54 0.93 -1.51 0.00 0.00 179.97 180.60 3n2l h GLU 8 N -0.26 0.96 -0.44 0.20 5.08 -0.83 -1.58 114.58 117.72 3n2l h GLU 8 Ca 0.01 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 3n2l h GLU 8 Cb 0.49 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 3n2l h GLU 8 CO 0.01 0.64 0.02 0.35 -1.00 0.00 0.00 179.01 179.03 3n2l h PHE 9 N 0.99 0.82 -0.38 4.33 3.57 -0.75 -0.50 116.94 125.03 3n2l h PHE 9 Ca 0.33 -0.13 -0.02 0.00 3.53 0.00 0.00 57.97 61.68 3n2l h PHE 9 Cb 0.08 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.58 3n2l h PHE 9 CO -0.00 0.80 0.17 0.82 -2.23 0.00 0.00 178.31 177.87 3n2l h ILE 10 N 0.60 1.18 0.02 1.41 2.04 -1.16 0.46 117.51 122.06 3n2l h ILE 10 Ca 0.13 -0.52 0.02 0.00 1.00 0.00 0.00 64.86 65.48 3n2l h ILE 10 Cb 0.46 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 3n2l h ILE 10 CO 0.02 0.19 -0.11 -0.08 0.00 0.00 0.00 178.15 178.17 3n2l h GLU 11 N 0.48 -0.19 0.34 2.37 4.81 -1.21 0.25 114.58 121.42 3n2l h GLU 11 Ca 0.13 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 3n2l h GLU 11 Cb 0.14 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 3n2l h GLU 11 CO -0.01 -0.13 -0.39 0.35 -0.73 0.00 0.00 179.01 178.10 3n2l h PHE 12 N -0.20 -1.07 0.00 0.92 3.57 -0.68 -2.38 116.94 117.10 3n2l h PHE 12 Ca 0.04 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.51 3n2l h PHE 12 Cb 0.24 0.42 -0.01 0.00 2.79 0.00 0.00 35.95 39.40 3n2l h PHE 12 CO -0.16 -0.53 -0.17 0.00 -2.23 0.00 0.00 178.31 175.21 3n2l h ALA 13 N -0.35 1.69 -0.06 2.41 0.00 0.14 -2.67 119.26 120.42 3n2l h ALA 13 Ca -0.02 -0.15 -0.20 0.00 0.00 0.00 0.00 54.91 54.54 3n2l h ALA 13 Cb 0.70 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 3n2l h ALA 13 CO -0.10 0.21 -0.79 -0.07 0.00 0.00 0.00 179.25 178.50 3n2l h LEU 14 N 0.00 0.51 -0.71 0.00 3.38 -0.78 -2.19 115.31 115.51 3n2l h LEU 14 Ca -0.00 -0.36 -0.12 0.00 0.09 0.00 0.00 57.88 57.49 3n2l h LEU 14 Cb 0.30 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3n2l h LEU 14 CO 0.02 1.12 -0.29 1.05 0.09 0.00 0.00 178.44 180.42 3n2l h GLU 15 N 0.27 0.66 0.00 1.13 4.11 -1.08 -1.27 114.58 118.41 3n2l h GLU 15 Ca -0.04 -0.29 0.00 0.00 0.07 0.00 0.00 59.36 59.10 3n2l h GLU 15 Cb 1.39 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.62 3n2l h GLU 15 CO 0.14 0.88 0.00 1.63 0.07 0.00 0.00 179.01 181.73 3n2l n LYS 16 N -4.08 0.52 -2.15 1.06 4.76 -1.15 -4.88 118.16 112.23 3n2l n LYS 16 Ca -0.01 0.02 -0.13 0.00 -2.87 0.00 0.00 58.31 55.32 3n2l n LYS 16 Cb 0.46 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 32.13 3n2l n LYS 16 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 3n2l n GLN 17 N -1.21 -1.95 0.08 1.97 6.02 -0.48 -4.85 117.38 116.97 3n2l n GLN 17 Ca 0.15 0.66 -0.10 0.00 -0.01 0.00 0.00 57.00 57.70 3n2l n GLN 17 Cb 0.19 -5.17 -0.07 0.00 1.02 0.00 0.00 30.24 26.21 3n2l n GLN 17 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3n2l h VAL 18 N 0.00 1.56 -3.16 5.09 2.07 -1.67 -3.43 116.25 116.71 3n2l h VAL 18 Ca -0.29 -2.95 -0.66 0.00 0.82 0.00 0.00 66.70 63.62 3n2l h VAL 18 Cb 1.12 2.69 -0.14 0.00 -1.52 0.00 0.00 31.29 33.44 3n2l h VAL 18 CO 0.37 0.85 -0.58 -0.22 0.02 0.00 0.00 177.57 178.02 3n2l s LEU 19 N -7.16 3.81 0.00 2.57 2.96 -0.90 -3.06 118.68 116.90 3n2l s LEU 19 Ca -0.02 0.18 -0.03 0.00 -0.22 0.00 0.00 54.13 54.05 3n2l s LEU 19 Cb 0.09 -1.91 -0.01 0.00 0.50 0.00 0.00 46.19 44.86 3n2l s LEU 19 CO 0.84 0.32 0.04 -0.54 -1.32 0.00 0.00 176.35 175.68 3n2l s LYS 20 N -0.50 0.29 -0.06 1.98 1.02 -0.17 -4.48 119.74 117.82 3n2l s LYS 20 Ca 0.10 -0.37 0.05 0.00 0.02 0.00 0.00 55.97 55.77 3n2l s LYS 20 Cb -0.12 0.11 -0.02 0.00 -0.52 0.00 0.00 37.83 37.29 3n2l s LYS 20 CO 0.02 -0.06 -0.22 0.12 -0.92 0.00 0.00 175.35 174.30 3n2l s PHE 21 N -1.05 2.52 0.00 3.18 5.36 -1.26 -0.65 117.98 126.08 3n2l s PHE 21 Ca -0.11 -0.55 0.00 0.00 -0.96 0.00 0.00 56.93 55.31 3n2l s PHE 21 Cb -0.07 -1.62 0.00 0.00 -0.34 0.00 0.00 43.02 40.99 3n2l s PHE 21 CO -0.00 -0.10 0.00 0.41 -1.46 0.00 0.00 175.22 174.07 3n2l n GLY 22 N 2.79 -0.57 2.95 13.12 0.00 -0.13 -5.01 105.19 118.35 3n2l n GLY 22 Ca -0.17 -0.19 -0.28 0.00 0.00 0.00 0.00 46.02 45.38 3n2l n GLY 22 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3n2l s GLU 23 N -0.78 1.83 0.16 1.61 2.02 -1.26 -4.25 118.70 118.02 3n2l s GLU 23 Ca 0.00 -0.41 0.05 0.00 0.02 0.00 0.00 54.97 54.63 3n2l s GLU 23 Cb 0.00 -1.85 -0.04 0.00 0.10 0.00 0.00 34.13 32.33 3n2l s GLU 23 CO 0.00 -0.28 -0.12 -0.06 0.02 0.00 0.00 175.26 174.83 3n2l s PHE 24 N 1.61 1.38 -0.12 1.61 0.08 0.16 -4.99 117.98 117.70 3n2l s PHE 24 Ca 0.04 -0.69 0.02 0.00 0.12 0.00 0.00 56.93 56.42 3n2l s PHE 24 Cb -0.13 -0.69 -0.01 0.00 -0.57 0.00 0.00 43.02 41.63 3n2l s PHE 24 CO -0.09 0.15 -0.18 0.99 -0.10 0.00 0.00 175.22 175.99 3n2l s THR 25 N -3.11 2.54 0.38 0.64 2.01 -1.26 -0.76 115.64 116.08 3n2l s THR 25 Ca 0.17 -0.84 0.07 0.00 0.31 0.00 0.00 61.69 61.41 3n2l s THR 25 Cb 0.01 -2.03 -0.02 0.00 0.01 0.00 0.00 72.50 70.47 3n2l s THR 25 CO 0.02 0.54 0.40 -0.76 -0.69 0.00 0.00 174.62 174.13 3n2l s LEU 26 N 0.43 3.59 -1.26 4.42 1.43 -1.26 -4.96 118.68 121.08 3n2l s LEU 26 Ca -0.13 -0.52 -0.09 0.00 -1.03 0.00 0.00 54.13 52.35 3n2l s LEU 26 Cb -0.17 -2.32 0.18 0.00 0.03 0.00 0.00 46.19 43.92 3n2l s LEU 26 CO 0.06 -0.54 1.83 1.17 0.23 0.00 0.00 176.35 179.09 3n2l n LYS 27 N -1.56 3.70 0.00 1.70 3.00 -1.26 -4.73 118.16 119.02 3n2l n LYS 27 Ca 0.02 -3.64 0.00 0.00 -0.00 0.00 0.00 58.31 54.69 3n2l n LYS 27 Cb 0.60 -2.89 0.00 0.00 0.00 0.00 0.00 35.03 32.74 3n2l n LYS 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 3n2l n ARG 30 N 3.65 0.00 -4.06 1.64 1.74 -1.26 -5.24 116.66 113.13 3n2l n ARG 30 Ca 0.38 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 57.22 3n2l n ARG 30 Cb 0.36 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.76 3n2l n ARG 30 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3n2l s LYS 31 N -4.13 3.04 -0.07 5.56 1.02 -1.26 -4.40 119.74 119.49 3n2l s LYS 31 Ca 0.00 -0.87 -0.08 0.00 0.02 0.00 0.00 55.97 55.04 3n2l s LYS 31 Cb 0.00 -2.69 0.02 0.00 -0.52 0.00 0.00 37.83 34.64 3n2l s LYS 31 CO 0.00 0.46 0.22 0.45 -0.92 0.00 0.00 175.35 175.56 3n2l s SER 32 N -3.40 -0.20 0.13 2.83 0.15 0.06 -4.86 113.70 108.40 3n2l s SER 32 Ca 0.32 0.36 0.27 0.00 0.70 0.00 0.00 55.95 57.60 3n2l s SER 32 Cb -0.09 0.42 0.98 0.00 -1.71 0.00 0.00 66.02 65.62 3n2l s SER 32 CO 0.25 -0.13 1.83 -0.81 1.20 0.00 0.00 173.24 175.59 3n2l n PRO 33 N 2.71 0.16 -4.28 5.44 -0.04 -1.26 -0.67 135.00 137.06 3n2l n PRO 33 Ca -0.14 0.13 -0.15 0.00 -0.04 0.00 0.00 63.50 63.30 3n2l n PRO 33 Cb 0.58 -1.68 -0.10 0.00 -0.04 0.00 0.00 33.50 32.26 3n2l n PRO 33 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3n2l s TYR 34 N -3.06 1.38 -0.04 0.54 -0.85 -1.26 -0.96 117.35 113.10 3n2l s TYR 34 Ca 0.12 -1.05 -0.02 0.00 -0.52 0.00 0.00 57.07 55.60 3n2l s TYR 34 Cb 0.15 -0.79 0.02 0.00 0.38 0.00 0.00 41.96 41.71 3n2l s TYR 34 CO 0.56 -0.22 0.08 0.12 -1.52 0.00 0.00 175.55 174.58 3n2l s PHE 35 N -3.64 -0.08 -0.18 -3.49 5.36 0.17 -4.85 117.98 111.27 3n2l s PHE 35 Ca 0.29 0.25 -0.08 0.00 -0.96 0.00 0.00 56.93 56.43 3n2l s PHE 35 Cb 0.06 -0.04 0.07 0.00 -0.34 0.00 0.00 43.02 42.77 3n2l s PHE 35 CO 0.08 -0.08 0.40 0.12 -1.46 0.00 0.00 175.22 174.28 3n2l s PHE 36 N 0.48 -0.68 -0.28 10.12 5.36 -1.26 -1.00 117.98 130.72 3n2l s PHE 36 Ca -0.04 1.37 -0.03 0.00 -0.96 0.00 0.00 56.93 57.27 3n2l s PHE 36 Cb -0.05 0.26 0.09 0.00 -0.34 0.00 0.00 43.02 42.98 3n2l s PHE 36 CO -0.02 -0.41 0.11 1.21 -1.46 0.00 0.00 175.22 174.66 3n2l s ASN 37 N 2.03 3.54 0.36 6.13 2.47 -1.17 -4.71 114.94 123.59 3n2l s ASN 37 Ca -0.05 -1.30 0.23 0.00 0.42 0.00 0.00 52.86 52.16 3n2l s ASN 37 Cb -0.10 -0.48 1.28 0.00 -1.45 0.00 0.00 41.25 40.49 3n2l s ASN 37 CO -0.12 -0.42 1.71 0.00 -3.72 0.00 0.00 177.10 174.55 3n2l h ALA 38 N 8.32 1.02 0.00 1.71 0.00 -1.94 -0.74 119.26 127.63 3n2l h ALA 38 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3n2l h ALA 38 Cb 1.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3n2l h ALA 38 CO 0.43 -0.02 0.00 0.78 0.00 0.00 0.00 179.25 180.44 3n2l h GLY 39 N 0.00 0.00 2.00 0.00 0.00 -1.96 -2.08 103.07 101.03 3n2l h GLY 39 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3n2l h GLY 39 CO 0.00 0.00 -0.00 1.41 0.00 0.00 0.00 176.54 177.95 3n2l h LEU 40 N 0.00 0.00 -9.68 3.11 3.38 -1.52 -3.44 115.31 107.16 3n2l h LEU 40 Ca 0.00 -0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 3n2l h LEU 40 Cb 0.36 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.15 3n2l h LEU 40 CO 0.00 0.00 0.67 -0.36 0.09 0.00 0.00 178.44 178.84 3n2l s PHE 41 N -3.12 3.23 0.00 1.13 0.08 -0.78 -4.91 117.98 113.60 3n2l s PHE 41 Ca 0.10 1.18 0.00 0.00 0.12 0.00 0.00 56.93 58.33 3n2l s PHE 41 Cb 0.11 -3.63 0.00 0.00 -0.57 0.00 0.00 43.02 38.92 3n2l s PHE 41 CO 0.61 -2.00 0.53 0.27 -0.10 0.00 0.00 175.22 174.53 3n2l n ASN 42 N 2.65 0.89 -4.21 1.36 0.23 -1.26 -5.02 115.26 109.90 3n2l n ASN 42 Ca 0.06 -1.27 -0.15 0.00 -0.53 0.00 0.00 54.58 52.69 3n2l n ASN 42 Cb 0.42 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.02 3n2l n ASN 42 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 3n2l s THR 43 N -0.27 1.06 0.43 5.53 -4.23 -1.26 -5.05 115.64 111.85 3n2l s THR 43 Ca 0.00 -1.81 0.10 0.00 -1.18 0.00 0.00 61.69 58.80 3n2l s THR 43 Cb 0.00 -1.56 0.24 0.00 1.34 0.00 0.00 72.50 72.52 3n2l s THR 43 CO 0.00 -0.62 2.05 1.23 -0.54 0.00 0.00 174.62 176.74 3n2l h GLY 44 N 3.26 0.36 1.08 3.99 0.00 -1.99 -2.20 103.07 107.58 3n2l h GLY 44 Ca -0.37 -0.15 -0.10 0.00 0.00 0.00 0.00 47.33 46.71 3n2l h GLY 44 CO 0.57 0.15 -0.01 -0.09 0.00 0.00 0.00 176.54 177.16 3n2l h ARG 45 N 0.34 1.08 -0.21 4.80 2.43 -1.99 -0.16 114.38 120.68 3n2l h ARG 45 Ca 0.09 -0.35 0.05 0.00 -0.81 0.00 0.00 59.98 58.97 3n2l h ARG 45 Cb 0.05 -0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 29.44 3n2l h ARG 45 CO -0.01 1.05 -0.17 -0.44 -1.51 0.00 0.00 179.97 178.89 3n2l h ASP 46 N 0.98 -0.55 -0.36 -3.80 3.32 -1.87 -1.06 116.42 113.08 3n2l h ASP 46 Ca 0.17 0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.31 3n2l h ASP 46 Cb 0.57 0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.37 3n2l h ASP 46 CO 0.03 -0.21 0.18 -0.07 -1.72 0.00 0.00 179.24 177.45 3n2l h LEU 47 N -0.18 0.51 0.18 1.55 3.38 -1.18 0.11 115.31 119.68 3n2l h LEU 47 Ca 0.12 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3n2l h LEU 47 Cb 0.36 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3n2l h LEU 47 CO -0.31 0.45 -0.09 0.00 0.09 0.00 0.00 178.44 178.58 3n2l h ALA 48 N 1.63 -0.24 -0.73 1.53 0.00 -0.25 -1.85 119.26 119.35 3n2l h ALA 48 Ca 0.14 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3n2l h ALA 48 Cb 0.09 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 3n2l h ALA 48 CO -0.02 -0.54 0.44 0.00 0.00 0.00 0.00 179.25 179.14 3n2l h ARG 49 N -0.44 0.99 0.15 0.00 3.08 -0.95 -2.85 114.38 114.35 3n2l h ARG 49 Ca -0.02 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 3n2l h ARG 49 Cb 0.34 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3n2l h ARG 49 CO 0.04 0.69 -0.07 1.25 -1.07 0.00 0.00 179.97 180.81 3n2l h LEU 50 N 1.01 -0.17 -1.25 3.04 5.85 -0.56 -2.05 115.31 121.17 3n2l h LEU 50 Ca 0.26 -0.01 0.09 0.00 0.84 0.00 0.00 57.88 59.06 3n2l h LEU 50 Cb -0.05 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 40.97 3n2l h LEU 50 CO -0.05 -0.10 0.55 1.23 -0.34 0.00 0.00 178.44 179.73 3n2l h GLY 51 N -0.22 1.18 1.12 3.75 0.00 -1.19 -2.09 103.07 105.63 3n2l h GLY 51 Ca -0.02 -0.35 -0.05 0.00 0.00 0.00 0.00 47.33 46.91 3n2l h GLY 51 CO 0.03 0.22 0.24 3.21 0.00 0.00 0.00 176.54 180.24 3n2l h ARG 52 N 0.86 1.11 -0.38 4.80 3.08 -1.20 0.15 114.38 122.80 3n2l h ARG 52 Ca 0.38 -0.22 -0.07 0.00 0.07 0.00 0.00 59.98 60.14 3n2l h ARG 52 Cb 0.35 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 3n2l h ARG 52 CO -0.15 0.93 -0.03 0.74 -1.07 0.00 0.00 179.97 180.39 3n2l h PHE 53 N 1.07 0.76 -0.61 3.04 0.04 -0.89 -1.14 116.94 119.21 3n2l h PHE 53 Ca 0.24 -0.14 -0.02 0.00 2.80 0.00 0.00 57.97 60.84 3n2l h PHE 53 Cb 0.28 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 38.21 3n2l h PHE 53 CO 0.02 0.79 0.30 1.88 -0.60 0.00 0.00 178.31 180.71 3n2l h TYR 54 N 0.50 0.87 -0.61 -0.55 -1.99 -1.17 -1.34 116.97 112.67 3n2l h TYR 54 Ca 0.10 -0.04 -0.05 0.00 2.00 0.00 0.00 58.73 60.75 3n2l h TYR 54 Cb 0.51 -0.27 -0.03 0.00 2.00 0.00 0.00 36.73 38.95 3n2l h TYR 54 CO 0.04 0.65 0.20 0.00 -0.00 0.00 0.00 178.16 179.06 3n2l h ALA 55 N 1.13 0.80 -0.60 3.88 0.00 -0.65 -0.58 119.26 123.25 3n2l h ALA 55 Ca 0.21 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3n2l h ALA 55 Cb 0.10 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3n2l h ALA 55 CO -0.03 0.46 0.33 0.00 0.00 0.00 0.00 179.25 180.01 3n2l h ALA 56 N 1.07 0.77 -0.77 0.00 0.00 -0.98 0.08 119.26 119.43 3n2l h ALA 56 Ca 0.20 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3n2l h ALA 56 Cb 0.28 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 3n2l h ALA 56 CO -0.01 0.28 0.47 0.00 0.00 0.00 0.00 179.25 179.99 3n2l h ALA 57 N 1.15 0.98 -0.25 0.00 0.00 -0.85 -0.16 119.26 120.13 3n2l h ALA 57 Ca 0.21 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 3n2l h ALA 57 Cb 0.04 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3n2l h ALA 57 CO -0.03 0.44 -0.18 1.25 0.00 0.00 0.00 179.25 180.73 3n2l h LEU 58 N 1.05 0.60 -0.27 0.00 5.85 -0.78 0.04 115.31 121.79 3n2l h LEU 58 Ca 0.28 -0.44 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 3n2l h LEU 58 Cb -0.04 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 3n2l h LEU 58 CO -0.05 0.91 0.14 0.58 -0.34 0.00 0.00 178.44 179.68 3n2l h VAL 59 N 0.29 1.13 -0.18 1.05 2.07 -0.88 -2.65 116.25 117.08 3n2l h VAL 59 Ca 0.05 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 3n2l h VAL 59 Cb 0.71 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 3n2l h VAL 59 CO 0.05 0.13 0.03 -0.78 0.02 0.00 0.00 177.57 177.02 3n2l h ASP 60 N 0.31 0.22 0.47 0.57 3.58 -0.75 -2.13 116.42 118.69 3n2l h ASP 60 Ca 0.09 -0.02 -0.08 0.00 0.42 0.00 0.00 57.03 57.45 3n2l h ASP 60 Cb 0.08 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 3n2l h ASP 60 CO -0.01 0.24 -0.37 0.77 -2.88 0.00 0.00 179.24 176.99 3n2l h SER 61 N 0.25 0.00 -0.42 2.28 4.64 -0.62 -3.46 113.55 116.21 3n2l h SER 61 Ca 0.06 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.20 3n2l h SER 61 Cb 0.12 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.14 3n2l h SER 61 CO -0.00 0.37 -0.16 0.61 -0.87 0.00 0.00 176.83 176.77 3n2l n GLY 62 N -0.32 1.05 3.72 -0.77 0.00 -0.80 -4.99 105.19 103.08 3n2l n GLY 62 Ca -0.02 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 3n2l n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3n2l s ILE 63 N -2.28 4.91 0.14 -0.61 1.01 -1.26 -5.04 121.20 118.07 3n2l s ILE 63 Ca 0.00 1.79 -0.18 0.00 0.00 0.00 0.00 60.65 62.26 3n2l s ILE 63 Cb 0.00 -4.20 -0.07 0.00 0.01 0.00 0.00 42.46 38.20 3n2l s ILE 63 CO 0.00 0.22 0.61 -0.70 0.00 0.00 0.00 174.94 175.07 3n2l s GLU 64 N 0.80 4.15 0.01 2.79 -6.30 -1.26 -5.00 118.70 113.89 3n2l s GLU 64 Ca 0.45 0.70 -0.24 0.00 -2.50 0.00 0.00 54.97 53.38 3n2l s GLU 64 Cb -0.20 -3.04 0.05 0.00 0.00 0.00 0.00 34.13 30.95 3n2l s GLU 64 CO 0.24 0.52 0.54 -0.59 0.02 0.00 0.00 175.26 175.99 3n2l s PHE 65 N -1.35 -0.46 -0.05 5.30 -0.71 -1.26 -4.87 117.98 114.57 3n2l s PHE 65 Ca 0.36 0.63 0.18 0.00 -1.04 0.00 0.00 56.93 57.06 3n2l s PHE 65 Cb -0.17 0.34 -0.27 0.00 -1.21 0.00 0.00 43.02 41.70 3n2l s PHE 65 CO 0.20 -0.61 0.34 -0.25 -1.34 0.00 0.00 175.22 173.56 3n2l n ASP 66 N 0.64 0.75 -3.83 1.98 8.00 0.18 -4.96 116.55 119.32 3n2l n ASP 66 Ca -0.19 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.18 3n2l n ASP 66 Cb 0.59 1.67 -0.14 0.00 -0.02 0.00 0.00 41.12 43.22 3n2l n ASP 66 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3n2l s VAL 67 N -3.12 -0.01 -0.22 2.53 1.01 -0.92 -4.11 120.40 115.55 3n2l s VAL 67 Ca -0.07 0.04 -0.11 0.00 0.00 0.00 0.00 61.98 61.84 3n2l s VAL 67 Cb 0.11 -0.12 -0.05 0.00 0.00 0.00 0.00 36.38 36.31 3n2l s VAL 67 CO 0.76 0.02 0.20 -0.22 0.00 0.00 0.00 175.10 175.86 3n2l s LEU 68 N 0.27 4.14 -0.04 3.92 2.96 0.04 -1.46 118.68 128.51 3n2l s LEU 68 Ca -0.02 0.21 0.06 0.00 -0.22 0.00 0.00 54.13 54.16 3n2l s LEU 68 Cb -0.03 -2.18 -0.02 0.00 0.50 0.00 0.00 46.19 44.46 3n2l s LEU 68 CO -0.01 0.06 -0.22 0.12 -1.32 0.00 0.00 176.35 174.98 3n2l s PHE 69 N 0.97 2.48 -0.18 5.38 5.36 0.14 -1.09 117.98 131.04 3n2l s PHE 69 Ca 0.10 -0.46 0.01 0.00 -0.96 0.00 0.00 56.93 55.62 3n2l s PHE 69 Cb -0.13 -1.58 0.02 0.00 -0.34 0.00 0.00 43.02 40.99 3n2l s PHE 69 CO 0.04 -0.04 -0.19 0.20 -1.46 0.00 0.00 175.22 173.77 3n2l s GLY 70 N -0.47 1.36 0.36 13.12 0.00 -0.32 -1.61 107.32 119.76 3n2l s GLY 70 Ca 0.06 -1.20 -0.27 0.00 0.00 0.00 0.00 44.72 43.31 3n2l s GLY 70 CO 0.01 0.34 1.22 -4.14 0.00 0.00 0.00 173.10 170.53 3n2l s PRO 71 N 1.31 4.22 0.32 2.90 0.02 -1.26 -3.63 135.00 138.88 3n2l s PRO 71 Ca 0.04 2.01 -0.29 0.00 0.02 0.00 0.00 61.00 62.78 3n2l s PRO 71 Cb -0.13 -2.89 -0.10 0.00 0.02 0.00 0.00 34.50 31.40 3n2l s PRO 71 CO -0.12 -0.23 1.36 0.00 -0.33 0.00 0.00 177.00 177.67 3n2l s ALA 72 N -1.26 3.54 -0.21 -1.55 0.00 -1.26 -0.50 121.76 120.51 3n2l s ALA 72 Ca 0.53 1.31 0.07 0.00 0.00 0.00 0.00 51.96 53.87 3n2l s ALA 72 Cb -0.35 -3.51 -0.18 0.00 0.00 0.00 0.00 23.12 19.08 3n2l s ALA 72 CO 0.45 -0.71 -0.10 0.66 0.00 0.00 0.00 175.76 176.05 3n2l n TYR 73 N 1.12 0.00 0.22 0.00 4.02 -1.26 -4.75 117.16 116.52 3n2l n TYR 73 Ca 0.02 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.97 3n2l n TYR 73 Cb 0.41 -0.90 0.52 0.00 -0.02 0.00 0.00 39.34 39.34 3n2l n TYR 73 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 3n2l h LYS 74 N 0.00 0.00 0.00 -0.72 1.57 -1.97 -1.55 116.57 113.90 3n2l h LYS 74 Ca -0.51 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.25 3n2l h LYS 74 Cb 1.94 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.25 3n2l h LYS 74 CO -0.04 0.21 -0.05 0.78 -0.57 0.00 0.00 179.45 179.78 3n2l h GLY 75 N 0.75 0.00 0.54 3.86 0.00 -1.04 -3.12 103.07 104.07 3n2l h GLY 75 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3n2l h GLY 75 CO 0.03 0.00 -0.20 -2.22 0.00 0.00 0.00 176.54 174.15 3n2l h ILE 76 N 0.00 0.33 0.00 2.60 2.04 -1.22 0.14 117.51 121.39 3n2l h ILE 76 Ca -0.00 -0.62 -0.03 0.00 1.00 0.00 0.00 64.86 65.21 3n2l h ILE 76 Cb 0.25 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 36.83 3n2l h ILE 76 CO 0.01 0.07 -0.12 1.55 0.00 0.00 0.00 178.15 179.66 3n2l h PRO 77 N -1.02 0.00 -0.16 2.37 0.13 -1.72 -1.34 132.00 130.25 3n2l h PRO 77 Ca -0.06 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.03 3n2l h PRO 77 Cb 0.54 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.66 3n2l h PRO 77 CO 0.09 0.12 -0.05 0.82 -0.23 0.00 0.00 178.00 178.75 3n2l h ILE 78 N 0.00 1.30 -0.66 -3.56 2.04 -1.44 -2.15 117.51 113.03 3n2l h ILE 78 Ca -0.00 -1.04 -0.06 0.00 1.00 0.00 0.00 64.86 64.76 3n2l h ILE 78 Cb 0.23 1.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.93 3n2l h ILE 78 CO 0.02 0.31 0.19 0.00 0.00 0.00 0.00 178.15 178.66 3n2l h ALA 79 N 0.70 1.09 -0.04 1.87 0.00 -0.53 -0.88 119.26 121.48 3n2l h ALA 79 Ca 0.04 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 3n2l h ALA 79 Cb 0.50 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3n2l h ALA 79 CO 0.02 0.62 0.01 1.15 0.00 0.00 0.00 179.25 181.04 3n2l h THR 80 N 0.98 1.20 -0.00 0.00 2.02 -1.02 -1.29 112.91 114.80 3n2l h THR 80 Ca 0.21 -0.61 -0.15 0.00 0.77 0.00 0.00 66.41 66.63 3n2l h THR 80 Cb 0.30 1.55 -0.02 0.00 -1.74 0.00 0.00 68.15 68.24 3n2l h THR 80 CO -0.01 0.17 -0.70 0.00 0.37 0.00 0.00 175.52 175.35 3n2l h THR 81 N -0.18 1.50 -0.60 3.16 1.03 -1.35 -1.90 112.91 114.58 3n2l h THR 81 Ca 0.01 -2.39 -0.10 0.00 -0.01 0.00 0.00 66.41 63.93 3n2l h THR 81 Cb 0.26 2.29 -0.02 0.00 -1.07 0.00 0.00 68.15 69.61 3n2l h THR 81 CO 0.00 0.68 -0.00 0.74 -0.01 0.00 0.00 175.52 176.93 3n2l h THR 82 N 0.01 1.27 -0.39 0.00 2.02 -1.03 -1.72 112.91 113.07 3n2l h THR 82 Ca -0.01 -1.15 -0.09 0.00 0.77 0.00 0.00 66.41 65.93 3n2l h THR 82 Cb 1.24 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 68.45 3n2l h THR 82 CO 0.09 0.42 -0.13 0.00 0.37 0.00 0.00 175.52 176.27 3n2l h ALA 83 N 0.98 1.04 -0.32 6.16 0.00 -1.11 -1.59 119.26 124.43 3n2l h ALA 83 Ca 0.17 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 3n2l h ALA 83 Cb 0.56 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3n2l h ALA 83 CO 0.03 0.58 0.09 0.28 0.00 0.00 0.00 179.25 180.23 3n2l h VAL 84 N 0.63 1.21 -0.42 0.00 2.07 -1.21 -2.20 116.25 116.33 3n2l h VAL 84 Ca 0.11 -0.71 -0.05 0.00 0.82 0.00 0.00 66.70 66.87 3n2l h VAL 84 Cb 0.59 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 3n2l h VAL 84 CO 0.04 0.24 0.06 0.00 0.02 0.00 0.00 177.57 177.93 3n2l h ALA 85 N 0.92 0.56 -0.49 1.67 0.00 -1.18 0.19 119.26 120.93 3n2l h ALA 85 Ca 0.10 -0.22 0.08 0.00 0.00 0.00 0.00 54.91 54.86 3n2l h ALA 85 Cb 0.28 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 3n2l h ALA 85 CO -0.00 0.28 0.13 -0.07 0.00 0.00 0.00 179.25 179.60 3n2l h LEU 86 N 0.55 0.08 -0.27 0.00 3.38 -1.31 0.39 115.31 118.13 3n2l h LEU 86 Ca 0.13 0.08 -0.11 0.00 0.09 0.00 0.00 57.88 58.06 3n2l h LEU 86 Cb 0.39 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 3n2l h LEU 86 CO 0.01 0.07 -0.27 0.00 0.09 0.00 0.00 178.44 178.34 3n2l h ALA 87 N 1.36 0.40 0.15 1.53 0.00 -0.66 -1.20 119.26 120.85 3n2l h ALA 87 Ca 0.24 -0.40 -0.30 0.00 0.00 0.00 0.00 54.91 54.46 3n2l h ALA 87 Cb 0.30 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 18.04 3n2l h ALA 87 CO -0.29 0.41 -1.26 -0.44 0.00 0.00 0.00 179.25 177.67 3n2l h ASP 88 N 0.40 0.85 0.00 0.00 3.32 -0.14 -3.12 116.42 117.73 3n2l h ASP 88 Ca 0.04 -0.85 0.00 0.00 0.02 0.00 0.00 57.03 56.24 3n2l h ASP 88 Cb 0.84 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.12 3n2l h ASP 88 CO 0.07 1.62 -1.37 1.41 -1.72 0.00 0.00 179.24 179.25 3n2l n HIS 89 N -3.81 0.00 -0.14 4.55 8.25 0.13 -4.62 115.22 119.59 3n2l n HIS 89 Ca -0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 3n2l n HIS 89 Cb 1.00 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 31.88 3n2l n HIS 89 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3n2l n HIS 90 N -1.80 0.00 -3.82 4.41 8.25 -0.75 -5.01 115.22 116.50 3n2l n HIS 90 Ca -0.01 -0.10 -0.26 0.00 -0.26 0.00 0.00 57.72 57.09 3n2l n HIS 90 Cb 0.36 -0.01 0.03 0.00 1.12 0.00 0.00 29.99 31.49 3n2l n HIS 90 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3n2l n ASP 91 N -0.10 -2.79 -4.06 0.41 4.64 -0.79 -4.95 116.55 108.90 3n2l n ASP 91 Ca 0.00 -0.82 -0.32 0.00 -1.38 0.00 0.00 54.79 52.28 3n2l n ASP 91 Cb 0.09 -3.90 -0.15 0.00 -1.04 0.00 0.00 41.12 36.12 3n2l n ASP 91 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 3n2l s VAL 92 N -3.52 2.01 -0.81 5.18 1.01 -0.53 -4.97 120.40 118.78 3n2l s VAL 92 Ca 0.31 -1.37 -0.13 0.00 0.00 0.00 0.00 61.98 60.79 3n2l s VAL 92 Cb -0.16 -2.07 0.21 0.00 0.00 0.00 0.00 36.38 34.37 3n2l s VAL 92 CO 0.83 0.11 0.74 -0.62 0.00 0.00 0.00 175.10 176.15 3n2l s ASP 93 N 1.21 6.64 -0.14 3.32 3.68 -1.26 -1.69 116.67 128.43 3n2l s ASP 93 Ca -0.05 -2.70 -0.10 0.00 2.13 0.00 0.00 52.55 51.83 3n2l s ASP 93 Cb -0.18 -2.18 -0.05 0.00 -1.45 0.00 0.00 42.92 39.06 3n2l s ASP 93 CO -0.07 -0.56 0.20 0.28 0.13 0.00 0.00 175.17 175.15 3n2l s THR 94 N 0.16 5.38 0.44 1.71 -1.32 -1.26 -5.06 115.64 115.69 3n2l s THR 94 Ca 0.18 0.36 -0.25 0.00 -1.21 0.00 0.00 61.69 60.77 3n2l s THR 94 Cb -0.11 -3.51 -0.09 0.00 -1.51 0.00 0.00 72.50 67.27 3n2l s THR 94 CO -0.08 0.51 1.23 -2.65 -2.21 0.00 0.00 174.62 171.41 3n2l n PRO 95 N 2.79 1.78 -4.39 7.08 -0.02 -1.26 -4.81 135.00 136.17 3n2l n PRO 95 Ca -0.16 0.64 -0.20 0.00 -2.02 0.00 0.00 63.50 61.76 3n2l n PRO 95 Cb 0.53 -2.34 -0.10 0.00 -0.02 0.00 0.00 33.50 31.57 3n2l n PRO 95 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3n2l s TYR 96 N -1.23 1.82 0.03 6.00 1.13 -1.26 -0.78 117.35 123.05 3n2l s TYR 96 Ca 0.63 -0.71 -0.26 0.00 -1.41 0.00 0.00 57.07 55.32 3n2l s TYR 96 Cb -0.50 -1.00 0.06 0.00 -1.10 0.00 0.00 41.96 39.42 3n2l s TYR 96 CO 0.57 0.24 0.60 0.00 -2.51 0.00 0.00 175.55 174.45 3n2l s PHE 98 N -2.18 0.73 0.18 0.00 -0.12 -0.12 -1.18 117.98 115.28 3n2l s PHE 98 Ca -0.06 -1.03 0.07 0.00 -0.05 0.00 0.00 56.93 55.86 3n2l s PHE 98 Cb -0.01 -0.20 -0.04 0.00 -0.63 0.00 0.00 43.02 42.15 3n2l s PHE 98 CO 0.01 -0.78 0.01 0.54 -0.05 0.00 0.00 175.22 174.95 3n2l s ASN 99 N -3.07 4.80 -0.09 1.98 4.22 -1.24 -1.10 114.94 120.44 3n2l s ASN 99 Ca 0.29 -0.40 -0.20 0.00 -2.14 0.00 0.00 52.86 50.40 3n2l s ASN 99 Cb 0.04 -1.03 -0.04 0.00 1.28 0.00 0.00 41.25 41.50 3n2l s ASN 99 CO 0.08 0.08 0.57 -0.13 -2.04 0.00 0.00 177.10 175.66 3n2l s ARG 100 N -3.02 4.37 0.30 3.55 0.52 -0.77 -4.06 118.95 119.84 3n2l s ARG 100 Ca 0.28 0.64 0.01 0.00 -0.52 0.00 0.00 55.73 56.14 3n2l s ARG 100 Cb -0.09 -3.43 0.54 0.00 0.52 0.00 0.00 34.95 32.49 3n2l s ARG 100 CO 0.19 0.14 1.91 0.87 0.02 0.00 0.00 175.30 178.43 3n2l h LYS 101 N 6.65 0.98 0.00 3.54 1.57 -1.99 -3.38 116.57 123.94 3n2l h LYS 101 Ca -0.41 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3n2l h LYS 101 Cb 1.19 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.28 3n2l h LYS 101 CO 0.75 0.65 0.00 -1.91 -0.57 0.00 0.00 179.45 178.37 3n2l n GLU 102 N -4.49 0.00 0.00 3.15 0.00 -1.26 -5.18 120.64 112.86 3n2l n GLU 102 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.30 3n2l n GLU 102 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.65 3n2l n GLU 102 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 3n2l n ASN 111 N -0.34 0.00 -4.24 4.31 5.15 -1.26 -5.32 115.26 113.56 3n2l n ASN 111 Ca 0.00 0.00 -0.26 0.00 -0.60 0.00 0.00 54.58 53.72 3n2l n ASN 111 Cb 0.00 0.00 -0.14 0.00 -0.53 0.00 0.00 39.78 39.11 3n2l n ASN 111 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3n2l s LEU 112 N 0.00 2.13 -0.08 1.20 1.43 -1.26 -1.84 118.68 120.26 3n2l s LEU 112 Ca 0.00 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 52.64 3n2l s LEU 112 Cb 0.00 -0.98 0.02 0.00 0.03 0.00 0.00 46.19 45.26 3n2l s LEU 112 CO 0.00 0.18 -0.10 -0.69 0.23 0.00 0.00 176.35 175.97 3n2l s VAL 113 N -0.71 1.06 -0.35 -1.59 1.01 -0.26 -4.96 120.40 114.60 3n2l s VAL 113 Ca 0.07 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.65 3n2l s VAL 113 Cb -0.08 -1.01 0.00 0.00 0.00 0.00 0.00 36.38 35.29 3n2l s VAL 113 CO 0.01 0.35 0.00 0.61 0.00 0.00 0.00 175.10 176.07 3n2l n GLY 114 N 4.14 0.19 3.80 4.51 0.00 -1.26 -0.95 105.19 115.63 3n2l n GLY 114 Ca -0.20 -1.84 -0.32 0.00 0.00 0.00 0.00 46.02 43.66 3n2l n GLY 114 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3n2l s SER 115 N -4.00 5.42 0.36 1.61 0.01 0.01 -4.98 113.70 112.13 3n2l s SER 115 Ca 0.00 1.76 -0.28 0.00 1.31 0.00 0.00 55.95 58.73 3n2l s SER 115 Cb 0.00 -2.52 -0.11 0.00 0.21 0.00 0.00 66.02 63.60 3n2l s SER 115 CO 0.00 -1.42 1.50 1.17 0.41 0.00 0.00 173.24 174.91 3n2l n LYS 116 N -2.66 2.66 -2.80 12.44 4.81 -1.26 -4.71 118.16 126.64 3n2l n LYS 116 Ca 0.08 0.94 -0.43 0.00 -0.87 0.00 0.00 58.31 58.03 3n2l n LYS 116 Cb 0.53 -2.67 -0.04 0.00 0.02 0.00 0.00 35.03 32.87 3n2l n LYS 116 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 3n2l s LEU 117 N -1.72 4.00 0.01 3.14 2.96 -1.26 -4.98 118.68 120.83 3n2l s LEU 117 Ca 0.55 -0.24 -0.20 0.00 -0.22 0.00 0.00 54.13 54.03 3n2l s LEU 117 Cb -0.48 -2.91 0.04 0.00 0.50 0.00 0.00 46.19 43.33 3n2l s LEU 117 CO 0.61 -1.25 0.43 -1.83 -1.32 0.00 0.00 176.35 173.00 3n2l s GLU 118 N 4.08 0.88 4.23 1.98 -1.05 -1.26 -4.70 118.70 122.86 3n2l s GLU 118 Ca 0.33 -0.21 0.00 0.00 -0.15 0.00 0.00 54.97 54.94 3n2l s GLU 118 Cb -0.12 0.40 0.00 0.00 -0.44 0.00 0.00 34.13 33.97 3n2l s GLU 118 CO 0.21 -0.29 0.00 0.41 0.95 0.00 0.00 175.26 176.54 3n2l n GLY 119 N 0.77 0.59 3.76 -3.83 0.00 -1.26 -4.61 105.19 100.60 3n2l n GLY 119 Ca -0.19 -0.88 -0.36 0.00 0.00 0.00 0.00 46.02 44.59 3n2l n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3n2l s ARG 120 N 0.00 4.05 -0.19 1.61 0.52 -1.26 -0.49 118.95 123.19 3n2l s ARG 120 Ca 0.00 -0.10 -0.01 0.00 -0.52 0.00 0.00 55.73 55.09 3n2l s ARG 120 Cb 0.00 -3.37 0.00 0.00 0.52 0.00 0.00 34.95 32.10 3n2l s ARG 120 CO 0.00 0.39 -0.12 0.08 0.02 0.00 0.00 175.30 175.68 3n2l s VAL 121 N 0.06 2.82 -0.24 3.52 1.01 0.11 0.49 120.40 128.18 3n2l s VAL 121 Ca 0.12 -0.69 -0.10 0.00 0.00 0.00 0.00 61.98 61.31 3n2l s VAL 121 Cb -0.12 -2.24 -0.05 0.00 0.00 0.00 0.00 36.38 33.98 3n2l s VAL 121 CO 0.01 0.48 0.15 -0.32 0.00 0.00 0.00 175.10 175.42 3n2l s MET 122 N 1.22 4.03 0.09 2.72 1.75 -0.53 -0.43 119.30 128.14 3n2l s MET 122 Ca 0.02 -0.29 -0.06 0.00 -1.25 0.00 0.00 55.69 54.11 3n2l s MET 122 Cb -0.14 -3.51 -0.05 0.00 2.84 0.00 0.00 34.83 33.96 3n2l s MET 122 CO -0.05 0.04 0.35 -0.51 -0.65 0.00 0.00 175.02 174.20 3n2l s LEU 123 N 1.10 4.31 -0.01 4.11 1.02 -0.48 0.25 118.68 128.97 3n2l s LEU 123 Ca 0.07 0.61 0.05 0.00 0.02 0.00 0.00 54.13 54.88 3n2l s LEU 123 Cb -0.14 -3.07 -0.01 0.00 0.02 0.00 0.00 46.19 42.99 3n2l s LEU 123 CO 0.05 0.13 -0.16 0.68 0.02 0.00 0.00 176.35 177.07 3n2l s VAL 124 N -1.51 1.23 0.36 -1.59 -7.23 -0.63 -0.78 120.40 110.25 3n2l s VAL 124 Ca 0.36 -0.68 -0.15 0.00 -1.81 0.00 0.00 61.98 59.69 3n2l s VAL 124 Cb -0.13 -1.03 0.04 0.00 0.56 0.00 0.00 36.38 35.83 3n2l s VAL 124 CO 0.21 0.34 0.74 -0.62 -0.31 0.00 0.00 175.10 175.46 3n2l s ASP 125 N -0.39 0.04 -0.07 4.85 3.68 -0.80 -4.18 116.67 119.80 3n2l s ASP 125 Ca 0.06 -1.07 -0.08 0.00 2.13 0.00 0.00 52.55 53.59 3n2l s ASP 125 Cb -0.06 0.80 -0.04 0.00 -1.45 0.00 0.00 42.92 42.17 3n2l s ASP 125 CO -0.01 -1.58 0.32 -2.24 0.13 0.00 0.00 175.17 171.80 3n2l h ASP 126 N 2.02 -0.22 -4.36 -0.34 2.03 -1.89 -3.30 116.42 110.37 3n2l h ASP 126 Ca -0.29 -0.01 -0.33 0.00 -0.73 0.00 0.00 57.03 55.67 3n2l h ASP 126 Cb 1.25 0.06 -0.18 0.00 -0.83 0.00 0.00 39.33 39.63 3n2l h ASP 126 CO 0.37 0.25 -0.74 0.68 -1.03 0.00 0.00 179.24 178.78 3n2l s VAL 127 N -2.42 0.97 -0.66 4.15 -7.23 -1.26 -1.36 120.40 112.59 3n2l s VAL 127 Ca -0.04 -1.63 0.25 0.00 -1.81 0.00 0.00 61.98 58.75 3n2l s VAL 127 Cb 0.00 -1.36 0.26 0.00 0.56 0.00 0.00 36.38 35.85 3n2l s VAL 127 CO 0.13 -0.54 1.68 -0.29 -0.31 0.00 0.00 175.10 175.77 3n2l h ILE 128 N 3.59 0.00 0.00 -0.62 6.09 -1.93 -2.35 117.51 122.29 3n2l h ILE 128 Ca -0.38 -0.58 0.00 0.00 -1.37 0.00 0.00 64.86 62.54 3n2l h ILE 128 Cb 1.19 1.52 0.00 0.00 0.47 0.00 0.00 36.82 39.99 3n2l h ILE 128 CO 0.52 0.00 0.00 0.35 -3.07 0.00 0.00 178.15 175.95 3n2l n THR 129 N -2.39 0.00 -0.48 2.19 -2.24 -1.26 -1.75 114.28 108.35 3n2l n THR 129 Ca 0.05 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.77 3n2l n THR 129 Cb 0.45 -0.41 0.02 0.00 -2.10 0.00 0.00 70.33 68.28 3n2l n THR 129 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3n2l n ALA 130 N -0.69 4.24 -0.75 6.98 0.00 -0.88 -4.72 120.51 124.69 3n2l n ALA 130 Ca 0.05 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.88 3n2l n ALA 130 Cb 0.02 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.34 3n2l n ALA 130 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n2l n GLY 131 N 0.94 -3.33 0.34 0.00 0.00 -0.72 -1.59 105.19 100.83 3n2l n GLY 131 Ca 0.11 0.52 0.16 0.00 0.00 0.00 0.00 46.02 46.81 3n2l n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n2l h THR 132 N 0.00 0.03 -0.48 2.61 1.03 -1.90 0.34 112.91 114.55 3n2l h THR 132 Ca 0.00 -0.01 -0.07 0.00 -0.01 0.00 0.00 66.41 66.33 3n2l h THR 132 Cb 0.00 0.02 -0.02 0.00 -1.07 0.00 0.00 68.15 67.08 3n2l h THR 132 CO 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 175.52 175.55 3n2l h ALA 133 N 1.97 0.64 0.03 0.00 0.00 -1.88 -2.32 119.26 117.70 3n2l h ALA 133 Ca 0.62 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 3n2l h ALA 133 Cb 1.32 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3n2l h ALA 133 CO -0.89 0.41 -0.01 0.82 0.00 0.00 0.00 179.25 179.57 3n2l h ILE 134 N 0.68 1.36 -0.52 0.00 2.04 0.51 -1.92 117.51 119.66 3n2l h ILE 134 Ca 0.14 -1.24 0.09 0.00 1.00 0.00 0.00 64.86 64.86 3n2l h ILE 134 Cb 0.45 2.18 -0.08 0.00 -0.74 0.00 0.00 36.82 38.63 3n2l h ILE 134 CO 0.02 0.31 0.08 0.03 0.00 0.00 0.00 178.15 178.59 3n2l h ARG 135 N -0.58 0.21 0.07 2.37 3.08 -0.63 0.64 114.38 119.54 3n2l h ARG 135 Ca -0.00 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 3n2l h ARG 135 Cb 0.54 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.54 3n2l h ARG 135 CO 0.01 0.14 -0.04 0.93 -1.07 0.00 0.00 179.97 179.94 3n2l h GLU 136 N 0.21 -0.10 -0.70 0.04 5.08 -1.46 0.43 114.58 118.08 3n2l h GLU 136 Ca 0.26 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.73 3n2l h GLU 136 Cb 0.37 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.57 3n2l h GLU 136 CO -0.36 -0.06 0.33 0.77 -1.00 0.00 0.00 179.01 178.69 3n2l h SER 137 N -0.10 0.41 -0.76 1.42 0.02 -0.57 0.22 113.55 114.18 3n2l h SER 137 Ca -0.01 0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 60.96 3n2l h SER 137 Cb 0.08 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.59 3n2l h SER 137 CO 0.02 0.23 0.27 0.24 -1.14 0.00 0.00 176.83 176.45 3n2l h MET 138 N 0.56 1.16 -0.55 3.45 2.86 0.15 -0.36 114.93 122.20 3n2l h MET 138 Ca 0.35 -0.23 -0.09 0.00 -2.06 0.00 0.00 59.70 57.67 3n2l h MET 138 Cb 0.40 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 3n2l h MET 138 CO -0.29 0.96 -0.01 0.93 1.06 0.00 0.00 176.91 179.57 3n2l h GLU 139 N 1.12 0.97 -0.63 1.72 5.08 0.84 -2.01 114.58 121.68 3n2l h GLU 139 Ca 0.25 -0.31 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 3n2l h GLU 139 Cb 0.26 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 3n2l h GLU 139 CO -0.01 0.98 0.26 1.25 -1.00 0.00 0.00 179.01 180.49 3n2l h LEU 140 N 0.85 0.85 0.24 1.33 6.46 -0.32 0.41 115.31 125.14 3n2l h LEU 140 Ca 0.15 -0.16 -0.01 0.00 -0.12 0.00 0.00 57.88 57.74 3n2l h LEU 140 Cb 0.55 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.26 3n2l h LEU 140 CO 0.03 0.78 -0.11 0.40 -0.62 0.00 0.00 178.44 178.92 3n2l h ILE 141 N 0.87 0.77 -0.78 4.05 2.04 -0.93 -2.34 117.51 121.19 3n2l h ILE 141 Ca 0.21 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 66.07 3n2l h ILE 141 Cb 0.19 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 37.00 3n2l h ILE 141 CO -0.02 0.00 0.52 1.56 0.00 0.00 0.00 178.15 180.21 3n2l h GLN 142 N -0.32 1.02 0.00 2.37 4.20 -1.06 -0.69 115.11 120.63 3n2l h GLN 142 Ca -0.03 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 3n2l h GLN 142 Cb 0.25 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 3n2l h GLN 142 CO 0.05 0.68 -0.00 0.00 -0.67 0.00 0.00 178.83 178.88 3n2l h ALA 143 N 1.29 1.37 -0.45 3.87 0.00 -0.04 0.17 119.26 125.47 3n2l h ALA 143 Ca 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3n2l h ALA 143 Cb -0.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3n2l h ALA 143 CO -0.07 0.01 0.00 0.09 0.00 0.00 0.00 179.25 179.28 3n2l n ASN 144 N -3.62 3.10 0.00 0.00 3.02 -0.28 -4.94 115.26 112.54 3n2l n ASN 144 Ca -0.03 -2.21 0.00 0.00 -0.03 0.00 0.00 54.58 52.31 3n2l n ASN 144 Cb 0.09 -0.43 0.00 0.00 -0.61 0.00 0.00 39.78 38.83 3n2l n ASN 144 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3n2l n LYS 145 N 0.75 -0.89 -2.89 3.52 4.01 0.59 -4.94 118.16 118.31 3n2l n LYS 145 Ca 0.17 0.22 -0.23 0.00 -0.51 0.00 0.00 58.31 57.96 3n2l n LYS 145 Cb 0.57 -3.90 0.02 0.00 -0.51 0.00 0.00 35.03 31.20 3n2l n LYS 145 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3n2l s ALA 146 N -1.57 3.74 0.28 7.82 0.00 -1.14 -4.82 121.76 126.07 3n2l s ALA 146 Ca 0.00 -1.07 0.07 0.00 0.00 0.00 0.00 51.96 50.96 3n2l s ALA 146 Cb 0.00 -2.17 -0.03 0.00 0.00 0.00 0.00 23.12 20.93 3n2l s ALA 146 CO 0.00 -0.46 0.29 -0.51 0.00 0.00 0.00 175.76 175.08 3n2l s ASP 147 N -4.25 5.74 -0.30 0.00 1.01 0.36 -4.10 116.67 115.12 3n2l s ASP 147 Ca 0.50 -0.21 -0.11 0.00 0.71 0.00 0.00 52.55 53.44 3n2l s ASP 147 Cb -0.10 -1.41 -0.03 0.00 1.01 0.00 0.00 42.92 42.39 3n2l s ASP 147 CO 0.38 -0.16 0.18 -0.76 0.21 0.00 0.00 175.17 175.02 3n2l s LEU 148 N -3.95 4.10 0.07 1.23 1.43 -1.26 -0.72 118.68 119.59 3n2l s LEU 148 Ca 0.36 -0.28 -0.05 0.00 -1.03 0.00 0.00 54.13 53.13 3n2l s LEU 148 Cb -0.08 -2.07 -0.29 0.00 0.03 0.00 0.00 46.19 43.78 3n2l s LEU 148 CO 0.27 -0.14 1.13 0.00 0.23 0.00 0.00 176.35 177.84 3n2l h ALA 149 N 8.38 0.08 0.00 4.21 0.00 -1.06 -3.44 119.26 127.42 3n2l h ALA 149 Ca -0.34 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 53.69 3n2l h ALA 149 Cb 1.17 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3n2l h ALA 149 CO 0.59 0.95 0.00 0.41 0.00 0.00 0.00 179.25 181.21 3n2l n GLY 150 N 1.55 -2.22 2.97 0.00 0.00 -1.23 -4.16 105.19 102.10 3n2l n GLY 150 Ca -0.09 -1.36 -0.21 0.00 0.00 0.00 0.00 46.02 44.35 3n2l n GLY 150 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3n2l s VAL 151 N -2.17 0.80 -0.21 1.61 1.01 -0.29 -1.38 120.40 119.76 3n2l s VAL 151 Ca 0.00 -0.32 -0.04 0.00 0.00 0.00 0.00 61.98 61.62 3n2l s VAL 151 Cb 0.00 -0.74 -0.01 0.00 0.00 0.00 0.00 36.38 35.62 3n2l s VAL 151 CO 0.00 0.27 -0.03 -0.22 0.00 0.00 0.00 175.10 175.11 3n2l s LEU 152 N 0.54 3.00 0.40 3.92 2.96 0.04 0.50 118.68 130.05 3n2l s LEU 152 Ca -0.09 -0.32 0.08 0.00 -0.22 0.00 0.00 54.13 53.57 3n2l s LEU 152 Cb -0.12 -1.76 -0.05 0.00 0.50 0.00 0.00 46.19 44.75 3n2l s LEU 152 CO 0.01 0.02 0.16 0.68 -1.32 0.00 0.00 176.35 175.90 3n2l s VAL 153 N 1.25 2.40 0.10 1.68 -7.23 0.93 -1.90 120.40 117.63 3n2l s VAL 153 Ca 0.03 -1.73 -0.14 0.00 -1.81 0.00 0.00 61.98 58.33 3n2l s VAL 153 Cb -0.14 -2.98 -0.09 0.00 0.56 0.00 0.00 36.38 33.73 3n2l s VAL 153 CO -0.01 -0.04 1.41 0.00 -0.31 0.00 0.00 175.10 176.15 3n2l h ALA 154 N 1.48 0.42 -2.31 1.32 0.00 -1.29 -0.30 119.26 118.58 3n2l h ALA 154 Ca -0.43 -0.44 -0.09 0.00 0.00 0.00 0.00 54.91 53.96 3n2l h ALA 154 Cb 1.25 -0.08 -0.20 0.00 0.00 0.00 0.00 17.79 18.76 3n2l h ALA 154 CO 0.69 0.50 -0.05 -1.50 0.00 0.00 0.00 179.25 178.88 3n2l s ILE 155 N -4.26 0.02 0.00 0.00 2.07 -1.26 -1.73 121.20 116.05 3n2l s ILE 155 Ca -0.12 -0.18 0.00 0.00 -1.41 0.00 0.00 60.65 58.94 3n2l s ILE 155 Cb 0.09 -0.79 0.00 0.00 0.13 0.00 0.00 42.46 41.89 3n2l s ILE 155 CO 0.85 -0.10 0.00 -0.90 -1.91 0.00 0.00 174.94 172.88 3n2l n ASP 156 N 1.53 0.00 -0.01 4.50 5.68 -1.21 -4.64 116.55 122.39 3n2l n ASP 156 Ca -0.19 -0.81 -0.01 0.00 -0.50 0.00 0.00 54.79 53.29 3n2l n ASP 156 Cb 0.56 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.54 3n2l n ASP 156 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3n2l n ARG 157 N 0.00 0.06 0.00 0.11 1.74 -1.26 -1.32 116.66 115.99 3n2l n ARG 157 Ca 0.00 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 3n2l n ARG 157 Cb 0.00 -0.51 0.00 0.00 -1.02 0.00 0.00 32.46 30.93 3n2l n ARG 157 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3n2l n ALA 167 N -2.78 0.00 -0.11 7.54 0.00 -1.26 -4.85 120.51 119.06 3n2l n ALA 167 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.31 3n2l n ALA 167 Cb 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.48 3n2l n ALA 167 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3n2l h ILE 168 N 0.00 1.28 -0.65 0.00 5.03 -2.00 -3.00 117.51 118.16 3n2l h ILE 168 Ca 0.00 -1.10 0.14 0.00 -0.12 0.00 0.00 64.86 63.77 3n2l h ILE 168 Cb 0.00 1.35 -0.12 0.00 -3.03 0.00 0.00 36.82 35.02 3n2l h ILE 168 CO 0.00 0.36 -0.08 -0.61 -0.68 0.00 0.00 178.15 177.13 3n2l h GLN 169 N 0.38 0.05 0.80 2.37 4.15 -2.01 -0.03 115.11 120.82 3n2l h GLN 169 Ca 0.08 -0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.46 3n2l h GLN 169 Cb 0.55 -0.01 0.01 0.00 0.21 0.00 0.00 27.48 28.24 3n2l h GLN 169 CO 0.03 0.03 -0.38 0.93 -1.93 0.00 0.00 178.83 177.51 3n2l h GLU 170 N 0.05 -1.04 -0.84 1.69 5.08 -1.97 0.11 114.58 117.67 3n2l h GLU 170 Ca 0.33 0.07 0.14 0.00 -1.00 0.00 0.00 59.36 58.90 3n2l h GLU 170 Cb 0.53 0.24 -0.09 0.00 0.50 0.00 0.00 28.75 29.93 3n2l h GLU 170 CO -0.62 -0.68 0.43 0.28 -1.00 0.00 0.00 179.01 177.42 3n2l h VAL 171 N -1.14 0.74 -0.07 3.13 2.07 -1.38 -0.22 116.25 119.39 3n2l h VAL 171 Ca -0.11 -0.22 -0.11 0.00 0.82 0.00 0.00 66.70 67.08 3n2l h VAL 171 Cb 0.83 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 3n2l h VAL 171 CO 0.18 0.11 -0.47 -0.33 0.02 0.00 0.00 177.57 177.09 3n2l h GLU 172 N 0.63 0.16 0.12 1.57 5.08 -0.80 -1.47 114.58 119.86 3n2l h GLU 172 Ca 0.45 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.72 3n2l h GLU 172 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 3n2l h GLU 172 CO -0.35 0.60 -0.06 0.00 -1.00 0.00 0.00 179.01 178.20 3n2l h ARG 173 N 0.13 -0.15 -0.01 2.33 3.08 0.69 -3.20 114.38 117.25 3n2l h ARG 173 Ca 0.01 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3n2l h ARG 173 Cb 0.88 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.97 3n2l h ARG 173 CO 0.07 0.33 -0.25 -0.40 -1.07 0.00 0.00 179.97 178.65 3n2l n ASP 174 N -4.87 0.99 -0.06 7.04 5.68 -0.24 -3.80 116.55 121.30 3n2l n ASP 174 Ca -0.08 -0.87 0.03 0.00 -0.50 0.00 0.00 54.79 53.38 3n2l n ASP 174 Cb 0.28 0.12 -0.02 0.00 -1.14 0.00 0.00 41.12 40.36 3n2l n ASP 174 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 3n2l n PHE 175 N -0.67 0.00 -1.54 2.11 3.72 -0.56 -5.02 117.46 115.49 3n2l n PHE 175 Ca 0.12 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.38 3n2l n PHE 175 Cb 0.34 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.83 3n2l n PHE 175 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3n2l n GLY 176 N 1.00 1.27 3.37 1.37 0.00 -1.21 -4.90 105.19 106.09 3n2l n GLY 176 Ca 0.02 -0.32 -0.19 0.00 0.00 0.00 0.00 46.02 45.53 3n2l n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n2l s ALA 178 N -3.28 3.24 -0.22 0.00 0.00 -1.26 -4.34 121.76 115.89 3n2l s ALA 178 Ca 0.29 0.23 -0.04 0.00 0.00 0.00 0.00 51.96 52.45 3n2l s ALA 178 Cb 0.05 -2.95 -0.01 0.00 0.00 0.00 0.00 23.12 20.22 3n2l s ALA 178 CO 0.10 0.25 -0.05 0.08 0.00 0.00 0.00 175.76 176.15 3n2l s VAL 179 N -1.91 3.32 0.33 0.00 1.01 -1.26 -1.14 120.40 120.74 3n2l s VAL 179 Ca 0.54 -0.53 0.09 0.00 0.00 0.00 0.00 61.98 62.08 3n2l s VAL 179 Cb -0.12 -2.52 -0.05 0.00 0.00 0.00 0.00 36.38 33.69 3n2l s VAL 179 CO 0.18 0.41 -0.00 0.27 0.00 0.00 0.00 175.10 175.95 3n2l s ILE 180 N 1.47 2.73 0.06 2.22 -4.36 0.18 -4.95 121.20 118.55 3n2l s ILE 180 Ca 0.05 -1.99 -0.03 0.00 -0.26 0.00 0.00 60.65 58.42 3n2l s ILE 180 Cb -0.14 -2.77 -0.03 0.00 1.25 0.00 0.00 42.46 40.77 3n2l s ILE 180 CO -0.04 -0.24 0.04 -0.94 0.24 0.00 0.00 174.94 174.00 3n2l s SER 181 N -3.70 0.36 0.07 4.36 1.04 -1.26 -0.05 113.70 114.53 3n2l s SER 181 Ca 0.34 -0.86 -0.24 0.00 0.48 0.00 0.00 55.95 55.67 3n2l s SER 181 Cb -0.01 0.24 -0.16 0.00 0.10 0.00 0.00 66.02 66.18 3n2l s SER 181 CO 0.19 -0.62 1.66 0.40 0.98 0.00 0.00 173.24 175.85 3n2l h ILE 182 N 3.12 1.00 -3.70 -1.02 2.04 -0.72 -3.46 117.51 114.78 3n2l h ILE 182 Ca -0.34 -0.17 -0.41 0.00 1.00 0.00 0.00 64.86 64.95 3n2l h ILE 182 Cb 1.16 1.11 -0.14 0.00 -0.74 0.00 0.00 36.82 38.21 3n2l h ILE 182 CO 0.61 0.04 -0.58 0.68 0.00 0.00 0.00 178.15 178.91 3n2l s VAL 183 N -5.89 0.48 0.37 1.67 -7.23 -0.70 -4.83 120.40 104.27 3n2l s VAL 183 Ca -0.14 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.11 3n2l s VAL 183 Cb 0.05 -2.56 -0.06 0.00 0.56 0.00 0.00 36.38 34.38 3n2l s VAL 183 CO 0.66 0.00 0.08 -0.94 -0.31 0.00 0.00 175.10 174.58 3n2l s SER 184 N -3.38 4.25 0.16 4.85 1.04 -1.26 -3.34 113.70 116.02 3n2l s SER 184 Ca 0.35 -1.06 -0.14 0.00 0.48 0.00 0.00 55.95 55.58 3n2l s SER 184 Cb 0.06 -0.51 0.05 0.00 0.10 0.00 0.00 66.02 65.72 3n2l s SER 184 CO 0.16 -0.38 1.78 0.25 0.98 0.00 0.00 173.24 176.04 3n2l h LEU 185 N 1.66 0.64 -0.49 2.42 5.85 -1.53 -1.84 115.31 122.01 3n2l h LEU 185 Ca -0.43 -0.08 0.09 0.00 0.84 0.00 0.00 57.88 58.30 3n2l h LEU 185 Cb 1.25 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 42.04 3n2l h LEU 185 CO 0.70 0.53 0.04 0.74 -0.34 0.00 0.00 178.44 180.11 3n2l h THR 186 N 0.69 0.66 -0.71 1.05 2.02 -1.95 -1.13 112.91 113.54 3n2l h THR 186 Ca 0.18 -0.06 0.01 0.00 0.77 0.00 0.00 66.41 67.31 3n2l h THR 186 Cb 0.03 0.48 -0.04 0.00 -1.74 0.00 0.00 68.15 66.88 3n2l h THR 186 CO -0.03 0.03 0.47 0.44 0.37 0.00 0.00 175.52 176.80 3n2l h ASP 187 N 0.17 0.81 -0.25 4.18 3.32 -1.85 0.58 116.42 123.38 3n2l h ASP 187 Ca 0.25 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.23 3n2l h ASP 187 Cb 0.36 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 3n2l h ASP 187 CO -0.37 0.58 -0.03 0.25 -1.72 0.00 0.00 179.24 177.95 3n2l h LEU 188 N 0.95 0.46 -0.44 1.55 5.85 -0.44 -0.87 115.31 122.37 3n2l h LEU 188 Ca 0.26 -0.34 -0.16 0.00 0.84 0.00 0.00 57.88 58.48 3n2l h LEU 188 Cb -0.10 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 3n2l h LEU 188 CO -0.06 0.69 -0.44 0.40 -0.34 0.00 0.00 178.44 178.70 3n2l h ILE 189 N 0.22 1.28 -0.46 4.05 2.04 -0.86 -2.27 117.51 121.51 3n2l h ILE 189 Ca 0.07 -1.62 -0.01 0.00 1.00 0.00 0.00 64.86 64.29 3n2l h ILE 189 Cb 0.47 1.50 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 3n2l h ILE 189 CO 0.02 0.53 0.23 0.74 0.00 0.00 0.00 178.15 179.67 3n2l h THR 190 N 0.66 1.18 -0.39 -0.27 2.02 -0.90 -2.21 112.91 112.99 3n2l h THR 190 Ca 0.04 -0.49 0.05 0.00 0.77 0.00 0.00 66.41 66.79 3n2l h THR 190 Cb 1.01 0.66 -0.05 0.00 -1.74 0.00 0.00 68.15 68.04 3n2l h THR 190 CO 0.10 0.19 0.11 0.22 0.37 0.00 0.00 175.52 176.51 3n2l h TYR 191 N 0.60 0.18 0.00 3.16 3.20 -0.98 -1.03 116.97 122.10 3n2l h TYR 191 Ca 0.16 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.05 3n2l h TYR 191 Cb 0.10 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.34 3n2l h TYR 191 CO -0.01 0.05 0.00 1.28 -1.64 0.00 0.00 178.16 177.84 3n2l n LEU 192 N -5.06 0.00 0.04 2.82 4.77 -0.87 -2.32 117.00 116.39 3n2l n LEU 192 Ca 0.02 0.47 -0.17 0.00 -0.03 0.00 0.00 56.01 56.31 3n2l n LEU 192 Cb 0.16 -0.47 -0.14 0.00 -2.33 0.00 0.00 43.42 40.64 3n2l n LEU 192 CO 0.25 -0.22 -0.45 -0.33 -1.33 0.00 0.00 177.39 175.31 3n2l h GLU 193 N 0.00 0.22 0.00 3.23 4.39 -0.58 -3.51 114.58 118.34 3n2l h GLU 193 Ca 0.00 -0.38 0.00 0.00 0.34 0.00 0.00 59.36 59.32 3n2l h GLU 193 Cb 0.26 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 3n2l h GLU 193 CO 0.00 1.06 0.00 1.04 -1.16 0.00 0.00 179.01 179.95