#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1m n GLN 2 N 0.00 3.54 -4.47 1.61 -0.00 -1.26 -5.01 117.38 111.79 3i1m n GLN 2 Ca 0.00 -4.10 -0.31 0.00 -0.00 0.00 0.00 57.00 52.59 3i1m n GLN 2 Cb 0.00 -2.28 -0.16 0.00 -0.00 0.00 0.00 30.24 27.80 3i1m n GLN 2 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 3i1m s LYS 3 N -3.62 2.73 0.41 2.61 -0.14 -1.26 -5.12 119.74 115.36 3i1m s LYS 3 Ca 0.52 -0.74 -0.24 0.00 -1.36 0.00 0.00 55.97 54.14 3i1m s LYS 3 Cb 0.42 -2.28 -0.09 0.00 -1.68 0.00 0.00 37.83 34.21 3i1m s LYS 3 CO 0.04 -0.08 1.10 0.54 -0.76 0.00 0.00 175.35 176.19 3i1m s VAL 4 N 1.00 3.46 -0.32 3.17 0.11 -1.26 -4.93 120.40 121.61 3i1m s VAL 4 Ca -0.04 1.15 -0.28 0.00 -2.93 0.00 0.00 61.98 59.87 3i1m s VAL 4 Cb -0.15 -3.61 -0.02 0.00 -1.53 0.00 0.00 36.38 31.07 3i1m s VAL 4 CO -0.04 0.04 1.87 -2.28 -3.33 0.00 0.00 175.10 171.35 3i1m s HIS 5 N -1.56 1.70 0.52 1.54 2.46 -1.26 -4.85 115.29 113.83 3i1m s HIS 5 Ca 0.58 0.63 0.27 0.00 0.47 0.00 0.00 55.06 57.01 3i1m s HIS 5 Cb -0.26 -4.09 1.38 0.00 -0.13 0.00 0.00 32.58 29.48 3i1m s HIS 5 CO 0.32 -3.09 1.93 -1.00 -2.47 0.00 0.00 174.74 170.43 3i1m h PRO 6 N 13.33 0.06 0.24 2.88 0.13 -1.96 -0.73 132.00 145.96 3i1m h PRO 6 Ca -0.34 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.77 3i1m h PRO 6 Cb 1.18 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3i1m h PRO 6 CO 1.03 0.04 -0.11 -0.97 -0.23 0.00 0.00 178.00 177.76 3i1m h ASN 7 N 0.07 -0.27 -0.85 1.44 -1.24 -1.87 -3.33 115.58 109.54 3i1m h ASN 7 Ca 0.36 0.01 0.13 0.00 0.71 0.00 0.00 56.30 57.50 3i1m h ASN 7 Cb 1.33 0.07 -0.06 0.00 0.73 0.00 0.00 38.32 40.38 3i1m h ASN 7 CO -0.03 0.13 0.55 1.23 -1.29 0.00 0.00 177.43 178.02 3i1m h GLY 8 N -0.96 1.12 2.00 1.57 0.00 -1.83 0.25 103.07 105.22 3i1m h GLY 8 Ca -0.03 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 46.97 3i1m h GLY 8 CO 0.05 0.12 -0.15 1.19 0.00 0.00 0.00 176.54 177.76 3i1m h ILE 9 N 0.69 0.62 0.00 2.60 6.09 -1.32 -2.64 117.51 123.55 3i1m h ILE 9 Ca 0.41 -0.64 -0.14 0.00 -1.37 0.00 0.00 64.86 63.12 3i1m h ILE 9 Cb 0.63 1.41 -0.02 0.00 0.47 0.00 0.00 36.82 39.31 3i1m h ILE 9 CO -0.18 0.14 -1.12 0.03 -3.07 0.00 0.00 178.15 173.96 3i1m h ARG 10 N 0.00 0.00 -0.69 2.19 2.47 -1.06 -3.41 114.38 113.89 3i1m h ARG 10 Ca -0.00 0.00 0.26 0.00 -1.26 0.00 0.00 59.98 58.98 3i1m h ARG 10 Cb 0.40 0.00 -0.12 0.00 -1.65 0.00 0.00 29.97 28.60 3i1m h ARG 10 CO 0.02 0.33 0.28 1.28 0.56 0.00 0.00 179.97 182.44 3i1m n LEU 11 N -2.97 0.16 -0.18 3.04 4.77 -1.00 0.18 117.00 120.99 3i1m n LEU 11 Ca -0.05 1.15 -0.04 0.00 -0.03 0.00 0.00 56.01 57.03 3i1m n LEU 11 Cb 0.79 -0.52 0.05 0.00 -2.33 0.00 0.00 43.42 41.41 3i1m n LEU 11 CO 0.42 -1.25 1.05 1.23 -1.33 0.00 0.00 177.39 177.51 3i1m h GLY 12 N 0.00 0.76 -2.19 -0.72 0.00 -1.80 -3.42 103.07 95.71 3i1m h GLY 12 Ca 0.54 -0.21 -0.45 0.00 0.00 0.00 0.00 47.33 47.21 3i1m h GLY 12 CO -0.56 0.15 -0.63 -0.26 0.00 0.00 0.00 176.54 175.24 3i1m s ILE 13 N -6.13 1.22 -0.17 2.60 -0.00 0.46 -4.86 121.20 114.33 3i1m s ILE 13 Ca -0.13 -2.03 0.00 0.00 -0.00 0.00 0.00 60.65 58.49 3i1m s ILE 13 Cb 0.14 -2.60 0.00 0.00 -0.00 0.00 0.00 42.46 40.00 3i1m s ILE 13 CO 0.74 -0.15 0.00 1.33 -0.00 0.00 0.00 174.94 176.86 3i1m n VAL 14 N -0.59 -0.07 -3.47 8.37 0.24 -1.26 -4.70 118.33 116.85 3i1m n VAL 14 Ca -0.04 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.28 3i1m n VAL 14 Cb 0.65 -0.26 -0.05 0.00 -1.47 0.00 0.00 33.84 32.71 3i1m n VAL 14 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3i1m s LYS 15 N -4.38 0.20 0.00 7.34 2.47 -1.26 -4.82 119.74 119.29 3i1m s LYS 15 Ca 0.00 0.43 0.00 0.00 -1.56 0.00 0.00 55.97 54.84 3i1m s LYS 15 Cb 0.00 0.17 0.00 0.00 -1.46 0.00 0.00 37.83 36.54 3i1m s LYS 15 CO 0.00 -0.06 0.00 -0.35 0.16 0.00 0.00 175.35 175.10 3i1m n PRO 16 N 4.13 0.00 0.00 4.03 -0.04 -1.26 -4.34 135.00 137.53 3i1m n PRO 16 Ca -0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 3i1m n PRO 16 Cb 0.55 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.01 3i1m n PRO 16 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3i1m n TRP 17 N 0.00 0.00 1.55 0.54 8.01 -1.26 -4.85 117.44 121.43 3i1m n TRP 17 Ca 0.00 0.00 0.09 0.00 -1.31 0.00 0.00 57.50 56.28 3i1m n TRP 17 Cb 0.00 0.00 0.52 0.00 -2.01 0.00 0.00 31.31 29.82 3i1m n TRP 17 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.69 176.77 3i1m n ASN 18 N 0.00 0.00 -3.71 -0.99 3.02 -1.26 -4.30 115.26 108.02 3i1m n ASN 18 Ca 0.00 -1.00 -0.18 0.00 -0.03 0.00 0.00 54.58 53.37 3i1m n ASN 18 Cb 0.00 0.00 -0.17 0.00 -0.61 0.00 0.00 39.78 39.00 3i1m n ASN 18 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3i1m s SER 19 N -1.77 0.74 -0.05 6.41 0.15 -1.26 -2.28 113.70 115.63 3i1m s SER 19 Ca 0.26 0.06 0.16 0.00 0.70 0.00 0.00 55.95 57.13 3i1m s SER 19 Cb 0.12 -0.12 0.31 0.00 -1.71 0.00 0.00 66.02 64.62 3i1m s SER 19 CO 0.20 -0.20 1.13 1.07 1.20 0.00 0.00 173.24 176.65 3i1m n THR 20 N 4.86 0.53 -2.44 6.45 5.66 -0.72 -4.98 114.28 123.65 3i1m n THR 20 Ca -0.13 -1.24 -0.24 0.00 -3.05 0.00 0.00 64.05 59.39 3i1m n THR 20 Cb 0.50 0.56 0.05 0.00 -1.55 0.00 0.00 70.33 69.89 3i1m n THR 20 CO 0.00 0.00 0.00 -1.66 -3.05 0.00 0.00 175.07 170.36 3i1m s TRP 21 N -0.79 2.98 -0.08 1.09 1.48 -1.26 -4.85 118.94 117.51 3i1m s TRP 21 Ca 0.26 0.31 0.00 0.00 -1.06 0.00 0.00 56.10 55.62 3i1m s TRP 21 Cb 0.28 -2.91 -0.03 0.00 -1.16 0.00 0.00 33.47 29.65 3i1m s TRP 21 CO -0.09 -1.06 -0.06 0.12 -4.06 0.00 0.00 176.95 171.80 3i1m s PHE 22 N -2.99 2.96 0.05 1.66 5.36 -1.26 -4.99 117.98 118.76 3i1m s PHE 22 Ca 0.57 0.00 -0.14 0.00 -0.96 0.00 0.00 56.93 56.40 3i1m s PHE 22 Cb -0.11 -1.74 0.02 0.00 -0.34 0.00 0.00 43.02 40.86 3i1m s PHE 22 CO 0.42 0.31 0.32 0.00 -1.46 0.00 0.00 175.22 174.81 3i1m s ALA 23 N -0.71 -0.71 0.43 11.12 0.00 -1.26 -4.97 121.76 125.66 3i1m s ALA 23 Ca 0.11 -0.00 0.08 0.00 0.00 0.00 0.00 51.96 52.15 3i1m s ALA 23 Cb -0.11 0.36 0.02 0.00 0.00 0.00 0.00 23.12 23.38 3i1m s ALA 23 CO 0.02 -0.44 0.59 1.21 0.00 0.00 0.00 175.76 177.13 3i1m s ASN 24 N -2.16 5.62 0.38 0.00 3.04 -1.26 -4.83 114.94 115.72 3i1m s ASN 24 Ca -0.04 -0.44 0.20 0.00 0.04 0.00 0.00 52.86 52.62 3i1m s ASN 24 Cb -0.00 -0.60 1.18 0.00 -1.54 0.00 0.00 41.25 40.29 3i1m s ASN 24 CO -0.04 -0.80 1.68 0.74 -3.04 0.00 0.00 177.10 175.63 3i1m h THR 25 N 0.60 0.31 -1.01 -5.21 2.02 -2.02 -0.83 112.91 106.77 3i1m h THR 25 Ca -0.39 -0.10 0.07 0.00 0.77 0.00 0.00 66.41 66.76 3i1m h THR 25 Cb 1.28 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.63 3i1m h THR 25 CO 0.45 0.05 0.65 0.11 0.37 0.00 0.00 175.52 177.15 3i1m h LYS 26 N 0.28 1.14 0.00 6.66 1.79 -2.05 -3.17 116.57 121.23 3i1m h LYS 26 Ca 0.72 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 59.13 3i1m h LYS 26 Cb 1.88 -0.26 0.00 0.00 -1.58 0.00 0.00 32.23 32.27 3i1m h LYS 26 CO -0.48 0.76 0.00 -0.85 -1.08 0.00 0.00 179.45 177.80 3i1m n GLU 27 N -4.50 0.60 -0.25 3.15 0.00 -0.99 -4.72 120.64 113.92 3i1m n GLU 27 Ca 0.16 -0.68 0.22 0.00 0.00 0.00 0.00 57.16 56.86 3i1m n GLU 27 Cb 0.19 -0.77 0.55 0.00 0.00 0.00 0.00 31.44 31.41 3i1m n GLU 27 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.13 177.48 3i1m h PHE 28 N 0.00 0.46 0.22 -1.84 3.57 -1.13 -0.36 116.94 117.87 3i1m h PHE 28 Ca 0.00 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 3i1m h PHE 28 Cb 0.49 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.10 3i1m h PHE 28 CO 0.00 0.10 -0.11 0.00 -2.23 0.00 0.00 178.31 176.07 3i1m h ALA 29 N 1.59 -0.56 0.00 2.41 0.00 -1.85 -2.74 119.26 118.11 3i1m h ALA 29 Ca 0.49 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3i1m h ALA 29 Cb 1.38 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.28 3i1m h ALA 29 CO -0.17 -0.54 0.23 -0.44 0.00 0.00 0.00 179.25 178.34 3i1m h ASP 30 N -0.53 0.00 0.11 0.00 5.19 -1.77 0.30 116.42 119.72 3i1m h ASP 30 Ca -0.03 0.00 -0.23 0.00 -0.62 0.00 0.00 57.03 56.15 3i1m h ASP 30 Cb 0.23 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.74 3i1m h ASP 30 CO 0.05 0.00 -1.15 0.78 -3.12 0.00 0.00 179.24 175.80 3i1m h ASN 31 N 0.00 0.37 -0.93 6.45 4.21 -1.12 -3.24 115.58 121.32 3i1m h ASN 31 Ca 0.00 -0.87 -0.01 0.00 1.21 0.00 0.00 56.30 56.63 3i1m h ASN 31 Cb 0.47 -0.12 -0.04 0.00 -1.12 0.00 0.00 38.32 37.51 3i1m h ASN 31 CO 0.00 1.51 0.53 0.25 -1.29 0.00 0.00 177.43 178.43 3i1m h LEU 32 N -0.40 1.14 0.67 1.61 5.85 -0.10 0.69 115.31 124.77 3i1m h LEU 32 Ca -0.24 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.36 3i1m h LEU 32 Cb 1.66 -0.29 0.01 0.00 0.37 0.00 0.00 40.66 42.41 3i1m h LEU 32 CO 0.07 0.89 -0.32 -0.78 -0.34 0.00 0.00 178.44 177.96 3i1m h ASP 33 N 1.29 -0.76 -0.88 1.25 -0.00 -1.60 0.26 116.42 115.97 3i1m h ASP 33 Ca 0.33 0.03 0.22 0.00 -0.00 0.00 0.00 57.03 57.61 3i1m h ASP 33 Cb -0.01 0.20 -0.13 0.00 -0.00 0.00 0.00 39.33 39.39 3i1m h ASP 33 CO -0.06 -0.51 0.35 -1.28 -0.00 0.00 0.00 179.24 177.74 3i1m h SER 34 N -0.98 0.24 0.00 2.28 0.87 -1.52 0.31 113.55 114.75 3i1m h SER 34 Ca -0.09 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 3i1m h SER 34 Cb 0.69 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.82 3i1m h SER 34 CO 0.15 -0.04 0.00 -0.67 -0.53 0.00 0.00 176.83 175.74 3i1m n ASP 35 N -5.09 0.00 -1.76 6.23 2.03 0.24 -2.01 116.55 116.18 3i1m n ASP 35 Ca 0.22 0.48 0.00 0.00 0.52 0.00 0.00 54.79 56.00 3i1m n ASP 35 Cb 0.65 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.05 3i1m n ASP 35 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 3i1m n PHE 36 N -0.59 0.00 0.00 -0.67 -0.00 0.88 -0.33 117.46 116.76 3i1m n PHE 36 Ca 0.00 -0.40 0.00 0.00 -0.00 0.00 0.00 57.45 57.05 3i1m n PHE 36 Cb 0.00 -0.35 0.00 0.00 -0.00 0.00 0.00 39.48 39.13 3i1m n PHE 36 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.76 177.93 3i1m n LYS 37 N 1.76 3.58 0.00 -4.13 4.81 0.06 -4.57 118.16 119.67 3i1m n LYS 37 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.40 3i1m n LYS 37 Cb 0.21 -0.58 -0.11 0.00 0.02 0.00 0.00 35.03 34.57 3i1m n LYS 37 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 3i1m n VAL 38 N -0.50 1.33 0.10 3.15 0.24 0.56 -3.08 118.33 120.13 3i1m n VAL 38 Ca 0.00 -0.74 -0.03 0.00 -2.04 0.00 0.00 64.34 61.53 3i1m n VAL 38 Cb 0.00 -0.82 0.16 0.00 -1.47 0.00 0.00 33.84 31.71 3i1m n VAL 38 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 3i1m h ARG 39 N 0.00 0.17 0.58 7.34 3.08 -1.83 0.67 114.38 124.39 3i1m h ARG 39 Ca -0.23 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 59.68 3i1m h ARG 39 Cb 1.78 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.84 3i1m h ARG 39 CO 0.06 0.69 -0.32 0.37 -1.07 0.00 0.00 179.97 179.70 3i1m h GLN 40 N 0.13 -0.80 -0.58 0.04 -0.00 -1.80 0.77 115.11 112.86 3i1m h GLN 40 Ca -0.00 0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.71 3i1m h GLN 40 Cb 1.03 0.18 -0.03 0.00 0.00 0.00 0.00 27.48 28.67 3i1m h GLN 40 CO 0.08 -0.54 0.38 -0.92 0.00 0.00 0.00 178.83 177.84 3i1m h TYR 41 N -0.83 0.74 -0.06 3.99 5.03 -1.49 -3.27 116.97 121.08 3i1m h TYR 41 Ca -0.07 0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.22 3i1m h TYR 41 Cb 0.66 -0.25 -0.00 0.00 1.55 0.00 0.00 36.73 38.69 3i1m h TYR 41 CO -0.06 0.47 -0.09 1.25 -1.32 0.00 0.00 178.16 178.41 3i1m h LEU 42 N 0.79 0.18 0.00 2.82 5.85 -0.67 -2.28 115.31 122.00 3i1m h LEU 42 Ca 0.21 -0.53 0.00 0.00 0.84 0.00 0.00 57.88 58.40 3i1m h LEU 42 Cb -0.08 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 40.90 3i1m h LEU 42 CO -0.05 0.68 0.00 0.35 -0.34 0.00 0.00 178.44 179.08 3i1m n THR 43 N -4.69 0.00 -0.07 1.05 -2.24 0.25 -1.38 114.28 107.20 3i1m n THR 43 Ca -0.08 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.59 3i1m n THR 43 Cb 0.33 -0.35 -0.06 0.00 -2.10 0.00 0.00 70.33 68.16 3i1m n THR 43 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3i1m n LYS 44 N -0.59 0.32 -0.11 -0.78 4.81 -0.98 -4.02 118.16 116.81 3i1m n LYS 44 Ca 0.02 0.09 -0.13 0.00 -0.87 0.00 0.00 58.31 57.43 3i1m n LYS 44 Cb 0.01 -1.19 -0.03 0.00 0.02 0.00 0.00 35.03 33.84 3i1m n LYS 44 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 3i1m h GLU 45 N -0.15 0.79 -0.75 1.64 4.39 -0.98 -3.29 114.58 116.22 3i1m h GLU 45 Ca -0.32 -0.38 -0.45 0.00 0.34 0.00 0.00 59.36 58.55 3i1m h GLU 45 Cb 1.42 -0.00 -0.26 0.00 -0.10 0.00 0.00 28.75 29.81 3i1m h GLU 45 CO -0.10 1.00 0.26 1.28 -1.16 0.00 0.00 179.01 180.30 3i1m n LEU 46 N -4.24 5.88 0.48 1.33 4.77 -0.48 -4.59 117.00 120.16 3i1m n LEU 46 Ca -0.03 -4.00 -0.20 0.00 -0.03 0.00 0.00 56.01 51.75 3i1m n LEU 46 Cb 0.46 -0.74 -0.10 0.00 -2.33 0.00 0.00 43.42 40.71 3i1m n LEU 46 CO 0.45 1.38 0.55 0.00 -1.33 0.00 0.00 177.39 178.44 3i1m h ALA 47 N 1.42 -1.27 0.00 -1.18 0.00 -1.70 -2.01 119.26 114.53 3i1m h ALA 47 Ca 0.46 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3i1m h ALA 47 Cb 1.77 0.53 0.00 0.00 0.00 0.00 0.00 17.79 20.09 3i1m h ALA 47 CO 0.95 -1.22 0.00 1.63 0.00 0.00 0.00 179.25 180.61 3i1m n LYS 48 N -5.63 0.45 -0.49 0.00 5.02 -1.26 -2.51 118.16 113.73 3i1m n LYS 48 Ca -0.16 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.23 3i1m n LYS 48 Cb 0.50 -1.07 0.33 0.00 -0.02 0.00 0.00 35.03 34.77 3i1m n LYS 48 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i1m n ALA 49 N -0.57 2.74 -3.80 7.82 0.00 -0.75 -4.97 120.51 120.98 3i1m n ALA 49 Ca 0.02 -1.47 -0.30 0.00 0.00 0.00 0.00 53.44 51.68 3i1m n ALA 49 Cb 0.01 -0.93 0.02 0.00 0.00 0.00 0.00 19.45 18.55 3i1m n ALA 49 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3i1m n SER 50 N 1.25 -3.25 -4.73 0.00 2.88 -1.05 -3.89 113.62 104.84 3i1m n SER 50 Ca 0.24 -1.02 -0.41 0.00 -1.33 0.00 0.00 58.87 56.36 3i1m n SER 50 Cb 0.76 -3.20 -0.04 0.00 -0.75 0.00 0.00 64.21 60.98 3i1m n SER 50 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3i1m s VAL 51 N -3.66 4.79 -0.12 2.46 0.11 -1.25 -1.23 120.40 121.50 3i1m s VAL 51 Ca 0.28 1.76 0.08 0.00 -2.93 0.00 0.00 61.98 61.18 3i1m s VAL 51 Cb -0.11 -4.18 -0.13 0.00 -1.53 0.00 0.00 36.38 30.43 3i1m s VAL 51 CO 0.88 0.28 -0.00 -1.54 -3.33 0.00 0.00 175.10 171.39 3i1m n SER 52 N 3.27 2.35 -3.39 3.54 3.41 0.06 -4.75 113.62 118.10 3i1m n SER 52 Ca 0.01 -0.02 0.02 0.00 -0.26 0.00 0.00 58.87 58.61 3i1m n SER 52 Cb 0.50 0.52 -0.05 0.00 -0.26 0.00 0.00 64.21 64.93 3i1m n SER 52 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3i1m s ARG 53 N -2.28 0.20 0.17 4.33 3.52 -1.10 -4.79 118.95 119.00 3i1m s ARG 53 Ca -0.09 0.46 -0.06 0.00 -0.13 0.00 0.00 55.73 55.91 3i1m s ARG 53 Cb 0.04 0.23 -0.06 0.00 -1.56 0.00 0.00 34.95 33.60 3i1m s ARG 53 CO 0.44 -0.06 0.43 0.96 -0.81 0.00 0.00 175.30 176.25 3i1m s ILE 54 N 2.05 5.10 0.13 4.11 -5.25 -1.26 -0.58 121.20 125.50 3i1m s ILE 54 Ca -0.03 0.14 0.07 0.00 -0.99 0.00 0.00 60.65 59.84 3i1m s ILE 54 Cb -0.04 -3.63 -0.04 0.00 2.95 0.00 0.00 42.46 41.71 3i1m s ILE 54 CO -0.16 -0.01 -0.16 -0.69 -1.79 0.00 0.00 174.94 172.13 3i1m s VAL 55 N -1.73 1.48 -0.02 8.37 1.01 0.30 -4.80 120.40 125.01 3i1m s VAL 55 Ca 0.43 -1.74 0.00 0.00 0.00 0.00 0.00 61.98 60.67 3i1m s VAL 55 Cb -0.12 -1.59 0.02 0.00 0.00 0.00 0.00 36.38 34.69 3i1m s VAL 55 CO 0.24 -0.35 0.01 -0.63 0.00 0.00 0.00 175.10 174.36 3i1m s ILE 56 N -2.00 0.08 -0.04 2.22 1.01 -0.97 -0.89 121.20 120.62 3i1m s ILE 56 Ca 0.10 0.09 0.02 0.00 0.00 0.00 0.00 60.65 60.87 3i1m s ILE 56 Cb -0.06 -0.16 0.01 0.00 0.01 0.00 0.00 42.46 42.26 3i1m s ILE 56 CO 0.04 0.10 -0.09 -1.83 0.00 0.00 0.00 174.94 173.16 3i1m s GLU 57 N 0.77 1.09 -0.96 2.79 1.03 -1.26 -1.75 118.70 120.41 3i1m s GLU 57 Ca -0.07 -0.30 -0.11 0.00 0.03 0.00 0.00 54.97 54.52 3i1m s GLU 57 Cb -0.10 -1.00 0.25 0.00 -0.80 0.00 0.00 34.13 32.48 3i1m s GLU 57 CO -0.02 0.08 0.93 1.03 -1.33 0.00 0.00 175.26 175.94 3i1m s ARG 58 N 0.37 3.85 -0.68 -4.83 1.81 -1.26 -1.22 118.95 116.99 3i1m s ARG 58 Ca -0.06 -2.87 -0.26 0.00 -1.72 0.00 0.00 55.73 50.81 3i1m s ARG 58 Cb -0.11 -4.45 -0.01 0.00 -0.45 0.00 0.00 34.95 29.93 3i1m s ARG 58 CO 0.01 -1.26 1.71 -1.25 -0.68 0.00 0.00 175.30 173.83 3i1m s PRO 59 N -0.61 2.79 0.00 3.54 0.04 -0.48 -4.66 135.00 135.62 3i1m s PRO 59 Ca 0.25 0.26 0.00 0.00 0.04 0.00 0.00 61.00 61.54 3i1m s PRO 59 Cb -0.10 -4.43 0.00 0.00 0.04 0.00 0.00 34.50 30.01 3i1m s PRO 59 CO -0.08 -2.63 0.00 0.00 0.04 0.00 0.00 177.00 174.32 3i1m n ALA 60 N 11.90 -1.00 -4.11 8.56 0.00 -1.26 -2.45 120.51 132.15 3i1m n ALA 60 Ca 0.18 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 53.16 3i1m n ALA 60 Cb 0.51 -0.25 0.01 0.00 0.00 0.00 0.00 19.45 19.72 3i1m n ALA 60 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i1m n LYS 61 N 1.77 -0.25 -3.65 0.00 4.76 -1.26 -4.94 118.16 114.60 3i1m n LYS 61 Ca 0.00 0.04 -0.02 0.00 -2.87 0.00 0.00 58.31 55.46 3i1m n LYS 61 Cb 0.00 -2.44 -0.03 0.00 -1.84 0.00 0.00 35.03 30.72 3i1m n LYS 61 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3i1m s SER 62 N -3.61 -0.01 0.07 4.39 0.15 -1.03 -4.63 113.70 109.03 3i1m s SER 62 Ca 0.46 0.01 0.07 0.00 0.70 0.00 0.00 55.95 57.18 3i1m s SER 62 Cb -0.26 0.01 -0.03 0.00 -1.71 0.00 0.00 66.02 64.04 3i1m s SER 62 CO 0.96 -0.02 -0.19 -0.51 1.20 0.00 0.00 173.24 174.69 3i1m s ILE 63 N -1.64 1.51 -0.12 6.45 2.07 -1.08 -1.38 121.20 127.00 3i1m s ILE 63 Ca 0.11 -1.34 -0.08 0.00 -1.41 0.00 0.00 60.65 57.94 3i1m s ILE 63 Cb -0.01 -1.37 -0.05 0.00 0.13 0.00 0.00 42.46 41.16 3i1m s ILE 63 CO -0.05 -0.01 -0.18 -1.14 -1.91 0.00 0.00 174.94 171.65 3i1m n ARG 64 N 1.43 0.29 -2.40 3.50 0.63 -0.36 -2.74 116.66 117.01 3i1m n ARG 64 Ca -0.19 0.13 -0.01 0.00 -0.92 0.00 0.00 57.85 56.85 3i1m n ARG 64 Cb 0.54 -1.00 -0.01 0.00 0.45 0.00 0.00 32.46 32.44 3i1m n ARG 64 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 3i1m n VAL 65 N -3.72-10.98 -3.66 5.15 0.31 -1.25 -2.68 118.33 101.51 3i1m n VAL 65 Ca -0.23 2.53 -0.38 0.00 -0.01 0.00 0.00 64.34 66.24 3i1m n VAL 65 Cb 0.60 -5.42 -0.12 0.00 -0.91 0.00 0.00 33.84 27.99 3i1m n VAL 65 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3i1m s THR 66 N -0.51 4.66 -0.19 2.52 2.01 -0.07 -1.37 115.64 122.70 3i1m s THR 66 Ca -0.06 -0.29 -0.18 0.00 0.31 0.00 0.00 61.69 61.46 3i1m s THR 66 Cb 0.00 -3.32 -0.03 0.00 0.01 0.00 0.00 72.50 69.16 3i1m s THR 66 CO 0.17 0.14 0.50 -0.63 -0.69 0.00 0.00 174.62 174.11 3i1m s ILE 67 N 1.64 5.13 -0.42 1.82 1.01 -0.39 -0.54 121.20 129.44 3i1m s ILE 67 Ca 0.05 0.93 -0.14 0.00 0.00 0.00 0.00 60.65 61.49 3i1m s ILE 67 Cb -0.17 -3.83 0.04 0.00 0.01 0.00 0.00 42.46 38.52 3i1m s ILE 67 CO 0.07 0.21 0.31 -1.00 0.00 0.00 0.00 174.94 174.53 3i1m s HIS 68 N 1.44 3.25 0.08 3.97 3.76 0.25 -0.56 115.29 127.47 3i1m s HIS 68 Ca 0.24 -0.77 0.06 0.00 -0.15 0.00 0.00 55.06 54.44 3i1m s HIS 68 Cb -0.15 -2.75 -0.03 0.00 1.11 0.00 0.00 32.58 30.76 3i1m s HIS 68 CO 0.10 -0.67 -0.16 -0.08 -0.85 0.00 0.00 174.74 173.08 3i1m s THR 69 N 1.64 1.31 -2.47 1.30 -1.32 -0.52 -0.76 115.64 114.82 3i1m s THR 69 Ca 0.04 -1.34 0.27 0.00 -1.21 0.00 0.00 61.69 59.46 3i1m s THR 69 Cb -0.21 -1.22 0.49 0.00 -1.51 0.00 0.00 72.50 70.05 3i1m s THR 69 CO 0.08 -0.14 1.68 0.00 -2.21 0.00 0.00 174.62 174.04 3i1m n ALA 70 N 1.30 2.62 -3.16 11.08 0.00 -0.36 -2.17 120.51 129.83 3i1m n ALA 70 Ca -0.20 -0.46 -0.17 0.00 0.00 0.00 0.00 53.44 52.60 3i1m n ALA 70 Cb 0.54 -1.13 -0.02 0.00 0.00 0.00 0.00 19.45 18.84 3i1m n ALA 70 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3i1m n ARG 71 N 0.20 0.98 0.17 0.00 0.63 -1.25 -4.87 116.66 112.52 3i1m n ARG 71 Ca 0.18 -3.34 0.17 0.00 -0.92 0.00 0.00 57.85 53.93 3i1m n ARG 71 Cb 0.38 -1.67 0.78 0.00 0.45 0.00 0.00 32.46 32.39 3i1m n ARG 71 CO 0.00 0.00 0.00 -1.00 -2.51 0.00 0.00 177.63 174.12 3i1m h PRO 72 N 3.00 0.00 -0.42 -0.14 0.13 -1.86 -1.09 132.00 131.63 3i1m h PRO 72 Ca 0.09 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.19 3i1m h PRO 72 Cb 0.98 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.09 3i1m h PRO 72 CO 0.49 0.00 0.17 0.78 -0.23 0.00 0.00 178.00 179.21 3i1m h GLY 73 N 0.00 0.67 2.00 1.56 0.00 -1.95 0.69 103.07 106.03 3i1m h GLY 73 Ca 0.11 -0.36 -0.05 0.00 0.00 0.00 0.00 47.33 47.03 3i1m h GLY 73 CO -0.00 0.34 -0.25 1.19 0.00 0.00 0.00 176.54 177.83 3i1m h ILE 74 N 0.53 0.95 0.01 2.60 2.10 -1.58 0.07 117.51 122.19 3i1m h ILE 74 Ca 0.14 -0.92 -0.26 0.00 1.08 0.00 0.00 64.86 64.90 3i1m h ILE 74 Cb 0.19 1.53 -0.04 0.00 -1.09 0.00 0.00 36.82 37.41 3i1m h ILE 74 CO -0.01 0.24 -1.39 0.58 -1.08 0.00 0.00 178.15 176.49 3i1m h VAL 75 N 0.00 1.25 0.22 2.19 2.07 -1.37 -3.36 116.25 117.26 3i1m h VAL 75 Ca -0.00 -3.02 -0.33 0.00 0.82 0.00 0.00 66.70 64.16 3i1m h VAL 75 Cb 0.51 2.64 0.03 0.00 -1.52 0.00 0.00 31.29 32.95 3i1m h VAL 75 CO 0.03 0.74 -1.52 0.40 0.02 0.00 0.00 177.57 177.23 3i1m h ILE 76 N 0.01 1.17 0.00 4.57 2.04 -0.61 -3.02 117.51 121.67 3i1m h ILE 76 Ca -0.16 -2.61 0.00 0.00 1.00 0.00 0.00 64.86 63.09 3i1m h ILE 76 Cb 1.91 2.95 0.00 0.00 -0.74 0.00 0.00 36.82 40.94 3i1m h ILE 76 CO 0.11 0.81 0.00 0.61 0.00 0.00 0.00 178.15 179.68 3i1m n GLY 77 N 1.77 -1.82 3.61 5.37 0.00 -0.01 -1.52 105.19 112.58 3i1m n GLY 77 Ca -0.20 -1.48 -0.43 0.00 0.00 0.00 0.00 46.02 43.91 3i1m n GLY 77 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i1m s LYS 78 N 0.00 3.82 -1.52 1.61 2.20 -1.26 -4.00 119.74 120.59 3i1m s LYS 78 Ca 0.00 0.71 0.00 0.00 -0.36 0.00 0.00 55.97 56.32 3i1m s LYS 78 Cb 0.00 -3.86 0.00 0.00 -1.51 0.00 0.00 37.83 32.46 3i1m s LYS 78 CO 0.00 -1.25 0.00 1.63 -0.36 0.00 0.00 175.35 175.37 3i1m n LYS 79 N 7.58 -1.64 0.00 4.03 4.01 -1.26 -2.36 118.16 128.52 3i1m n LYS 79 Ca 0.12 0.85 0.00 0.00 -0.51 0.00 0.00 58.31 58.77 3i1m n LYS 79 Cb 0.48 -5.29 0.00 0.00 -0.51 0.00 0.00 35.03 29.71 3i1m n LYS 79 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3i1m n GLY 80 N -0.55 1.01 0.29 0.72 0.00 -1.25 -5.02 105.19 100.39 3i1m n GLY 80 Ca -0.17 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.70 3i1m n GLY 80 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3i1m h GLU 81 N 3.14 -0.66 -0.85 1.61 4.22 -1.45 0.15 114.58 120.75 3i1m h GLU 81 Ca 0.00 0.05 0.12 0.00 0.08 0.00 0.00 59.36 59.60 3i1m h GLU 81 Cb 0.00 0.15 -0.08 0.00 0.50 0.00 0.00 28.75 29.32 3i1m h GLU 81 CO 0.00 -0.37 0.47 -0.44 -2.18 0.00 0.00 179.01 176.49 3i1m h ASP 82 N -0.87 0.64 0.57 1.04 3.45 -1.50 0.33 116.42 120.08 3i1m h ASP 82 Ca -0.07 0.06 -0.18 0.00 0.43 0.00 0.00 57.03 57.27 3i1m h ASP 82 Cb 0.60 -0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 39.30 3i1m h ASP 82 CO 0.12 0.33 -0.82 0.58 -1.57 0.00 0.00 179.24 177.88 3i1m h VAL 83 N 0.74 1.49 0.08 -1.35 2.07 -1.36 -3.22 116.25 114.69 3i1m h VAL 83 Ca 0.43 -2.52 -0.00 0.00 0.82 0.00 0.00 66.70 65.42 3i1m h VAL 83 Cb 0.48 2.39 -0.00 0.00 -1.52 0.00 0.00 31.29 32.64 3i1m h VAL 83 CO -0.29 0.73 -0.07 -0.08 0.02 0.00 0.00 177.57 177.89 3i1m h GLU 84 N 0.10 -0.14 -1.36 1.57 4.57 0.26 -0.82 114.58 118.75 3i1m h GLU 84 Ca -0.03 0.01 0.42 0.00 -1.18 0.00 0.00 59.36 58.57 3i1m h GLU 84 Cb 1.43 0.03 -0.10 0.00 -0.16 0.00 0.00 28.75 29.94 3i1m h GLU 84 CO 0.12 -0.09 0.92 1.57 -1.18 0.00 0.00 179.01 180.35 3i1m h LYS 85 N -0.14 0.10 -0.27 1.92 2.10 -1.16 0.31 116.57 119.44 3i1m h LYS 85 Ca -0.01 -0.01 -0.15 0.00 -2.00 0.00 0.00 60.65 58.49 3i1m h LYS 85 Cb 0.12 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.42 3i1m h LYS 85 CO -0.00 0.07 -0.43 -0.07 -2.00 0.00 0.00 179.45 177.01 3i1m h LEU 86 N 0.11 0.71 -0.11 7.07 3.38 -1.37 -3.21 115.31 121.89 3i1m h LEU 86 Ca 0.77 -0.33 0.02 0.00 0.09 0.00 0.00 57.88 58.42 3i1m h LEU 86 Cb 2.56 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 43.06 3i1m h LEU 86 CO -0.27 1.05 -0.36 0.03 0.09 0.00 0.00 178.44 178.98 3i1m h ARG 87 N 0.54 -0.36 0.00 1.13 3.08 0.10 -2.75 114.38 116.13 3i1m h ARG 87 Ca 0.04 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3i1m h ARG 87 Cb 0.97 0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.10 3i1m h ARG 87 CO 0.09 -0.24 0.00 1.17 -1.07 0.00 0.00 179.97 179.92 3i1m n LYS 88 N -4.46 0.00 -0.37 0.04 4.81 -1.21 -0.71 118.16 116.25 3i1m n LYS 88 Ca -0.04 0.69 -0.10 0.00 -0.87 0.00 0.00 58.31 58.00 3i1m n LYS 88 Cb 0.25 -1.33 -0.09 0.00 0.02 0.00 0.00 35.03 33.88 3i1m n LYS 88 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 3i1m n VAL 89 N -2.10 -0.60 -0.15 3.15 0.24 -1.23 -0.42 118.33 117.22 3i1m n VAL 89 Ca 0.00 2.24 -0.03 0.00 -2.04 0.00 0.00 64.34 64.51 3i1m n VAL 89 Cb 0.00 -2.78 0.06 0.00 -1.47 0.00 0.00 33.84 29.65 3i1m n VAL 89 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 3i1m h VAL 90 N 0.00 0.71 -0.33 3.34 2.07 -1.16 -0.41 116.25 120.47 3i1m h VAL 90 Ca 0.14 -0.07 0.03 0.00 0.82 0.00 0.00 66.70 67.62 3i1m h VAL 90 Cb 0.36 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 3i1m h VAL 90 CO -0.83 0.04 0.14 0.00 0.02 0.00 0.00 177.57 176.93 3i1m h ALA 91 N 1.38 0.40 -0.17 1.67 0.00 0.11 0.12 119.26 122.77 3i1m h ALA 91 Ca 0.24 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 3i1m h ALA 91 Cb 0.32 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3i1m h ALA 91 CO -0.33 -0.25 0.06 -0.25 0.00 0.00 0.00 179.25 178.49 3i1m n ASP 92 N -4.99 2.55 0.00 0.00 9.92 0.44 -1.95 116.55 122.52 3i1m n ASP 92 Ca 0.00 -2.27 0.00 0.00 -0.53 0.00 0.00 54.79 51.99 3i1m n ASP 92 Cb 0.10 -0.56 0.00 0.00 -0.64 0.00 0.00 41.12 40.02 3i1m n ASP 92 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 3i1m n ILE 93 N 0.14 0.00 0.04 0.53 5.41 -0.29 -4.78 119.36 120.41 3i1m n ILE 93 Ca 0.09 0.00 -0.14 0.00 1.00 0.00 0.00 62.75 63.70 3i1m n ILE 93 Cb 0.59 -0.72 -0.04 0.00 -0.71 0.00 0.00 39.64 38.76 3i1m n ILE 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i1m h ALA 94 N 0.00 0.39 0.00 -1.39 0.00 -0.81 -3.48 119.26 113.97 3i1m h ALA 94 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.25 3i1m h ALA 94 Cb 0.77 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3i1m h ALA 94 CO 0.00 0.76 0.00 0.41 0.00 0.00 0.00 179.25 180.42 3i1m n GLY 95 N 0.80 1.25 3.58 0.00 0.00 -0.83 -5.02 105.19 104.98 3i1m n GLY 95 Ca -0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 3i1m n GLY 95 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i1m s VAL 96 N -2.00 0.01 1.35 1.61 -7.23 -1.14 -5.04 120.40 107.98 3i1m s VAL 96 Ca 0.00 -0.63 -0.20 0.00 -1.81 0.00 0.00 61.98 59.34 3i1m s VAL 96 Cb 0.00 -1.54 0.34 0.00 0.56 0.00 0.00 36.38 35.74 3i1m s VAL 96 CO 0.00 -0.05 0.84 -0.81 -0.31 0.00 0.00 175.10 174.77 3i1m n PRO 97 N -0.38 -3.94 -3.16 4.82 -0.04 -1.26 -4.44 135.00 126.59 3i1m n PRO 97 Ca -0.10 -1.16 0.05 0.00 -0.04 0.00 0.00 63.50 62.25 3i1m n PRO 97 Cb 0.62 -1.95 -0.01 0.00 -0.04 0.00 0.00 33.50 32.12 3i1m n PRO 97 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i1m s ALA 98 N -2.19 -2.92 1.15 0.55 0.00 -1.26 -2.64 121.76 114.45 3i1m s ALA 98 Ca 0.65 1.63 -0.19 0.00 0.00 0.00 0.00 51.96 54.05 3i1m s ALA 98 Cb -0.16 -2.34 0.27 0.00 0.00 0.00 0.00 23.12 20.89 3i1m s ALA 98 CO 0.58 -1.39 1.17 1.04 0.00 0.00 0.00 175.76 177.17 3i1m n GLN 99 N 5.44 -2.38 -3.15 0.00 3.00 -1.11 -4.91 117.38 114.27 3i1m n GLN 99 Ca -0.05 -1.85 0.05 0.00 -0.01 0.00 0.00 57.00 55.15 3i1m n GLN 99 Cb 0.52 -1.51 -0.01 0.00 0.00 0.00 0.00 30.24 29.25 3i1m n GLN 99 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.06 175.56 3i1m s ILE 100 N -3.32 -0.36 0.61 5.09 2.07 -1.09 -4.44 121.20 119.76 3i1m s ILE 100 Ca 0.72 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.92 3i1m s ILE 100 Cb -0.05 -0.69 0.03 0.00 0.13 0.00 0.00 42.46 41.88 3i1m s ILE 100 CO 0.53 0.00 0.90 0.20 -1.91 0.00 0.00 174.94 174.66 3i1m s ASN 101 N 2.95 5.25 -0.45 4.50 0.01 -0.47 -4.93 114.94 121.78 3i1m s ASN 101 Ca 0.12 0.43 0.05 0.00 -0.71 0.00 0.00 52.86 52.74 3i1m s ASN 101 Cb -0.07 -1.29 0.18 0.00 0.41 0.00 0.00 41.25 40.48 3i1m s ASN 101 CO -0.17 -1.25 0.39 2.30 -1.51 0.00 0.00 177.10 176.85 3i1m n ILE 102 N -2.62 -0.70 -2.07 0.60 -6.64 -1.26 -1.26 119.36 105.41 3i1m n ILE 102 Ca 0.06 -3.72 -0.41 0.00 -1.77 0.00 0.00 62.75 56.91 3i1m n ILE 102 Cb 0.59 -1.77 -0.02 0.00 -1.44 0.00 0.00 39.64 37.00 3i1m n ILE 102 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3i1m s ALA 103 N -0.34 3.59 0.30 -1.28 0.00 0.27 -4.90 121.76 119.41 3i1m s ALA 103 Ca 0.32 1.27 -0.12 0.00 0.00 0.00 0.00 51.96 53.43 3i1m s ALA 103 Cb 0.04 -3.53 -0.08 0.00 0.00 0.00 0.00 23.12 19.55 3i1m s ALA 103 CO -0.18 -0.69 0.66 -2.00 0.00 0.00 0.00 175.76 173.55 3i1m s GLU 104 N -0.45 3.89 -0.64 0.00 2.12 -1.26 -1.44 118.70 120.92 3i1m s GLU 104 Ca 0.58 0.47 -0.12 0.00 0.36 0.00 0.00 54.97 56.25 3i1m s GLU 104 Cb -0.40 -2.52 0.16 0.00 0.26 0.00 0.00 34.13 31.63 3i1m s GLU 104 CO 0.43 0.20 0.56 0.08 -0.54 0.00 0.00 175.26 175.99 3i1m s VAL 105 N -1.97 4.99 -0.23 3.70 1.01 -0.92 -4.83 120.40 122.16 3i1m s VAL 105 Ca 0.51 -2.06 -0.30 0.00 0.00 0.00 0.00 61.98 60.13 3i1m s VAL 105 Cb -0.11 -4.17 -0.07 0.00 0.00 0.00 0.00 36.38 32.03 3i1m s VAL 105 CO 0.21 -0.91 2.20 -2.11 0.00 0.00 0.00 175.10 174.49 3i1m n ARG 106 N 4.53 1.83 -2.71 2.72 0.00 -1.26 -4.04 116.66 117.74 3i1m n ARG 106 Ca -0.00 0.52 -0.02 0.00 -0.00 0.00 0.00 57.85 58.34 3i1m n ARG 106 Cb 0.42 -3.06 -0.02 0.00 -0.00 0.00 0.00 32.46 29.81 3i1m n ARG 106 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3i1m n LYS 107 N 8.53 -3.76 0.04 2.89 5.02 -1.26 -4.85 118.16 124.78 3i1m n LYS 107 Ca 0.32 2.94 -0.02 0.00 -2.02 0.00 0.00 58.31 59.53 3i1m n LYS 107 Cb 0.40 -5.02 0.24 0.00 -0.02 0.00 0.00 35.03 30.63 3i1m n LYS 107 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3i1m h PRO 108 N 3.52 0.40 0.00 1.97 0.13 -1.97 -3.00 132.00 133.05 3i1m h PRO 108 Ca -0.21 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 3i1m h PRO 108 Cb 0.51 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.61 3i1m h PRO 108 CO 0.06 0.62 0.00 0.39 -0.23 0.00 0.00 178.00 178.85 3i1m n GLU 109 N -4.14 0.00 -0.00 0.86 4.71 -1.26 -1.19 120.64 119.62 3i1m n GLU 109 Ca -0.00 0.20 0.09 0.00 -0.01 0.00 0.00 57.16 57.43 3i1m n GLU 109 Cb 0.39 -1.50 -0.15 0.00 -1.01 0.00 0.00 31.44 29.16 3i1m n GLU 109 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 3i1m n LEU 110 N -1.19 0.12 -4.67 -4.62 7.99 -1.13 -4.77 117.00 108.74 3i1m n LEU 110 Ca 0.00 0.05 -0.41 0.00 -0.01 0.00 0.00 56.01 55.64 3i1m n LEU 110 Cb 0.00 0.04 -0.04 0.00 -0.11 0.00 0.00 43.42 43.32 3i1m n LEU 110 CO 0.00 0.03 0.60 -0.62 -1.51 0.00 0.00 177.39 175.89 3i1m s ASP 111 N -4.75 6.93 0.16 -1.43 2.15 -0.33 -4.94 116.67 114.46 3i1m s ASP 111 Ca -0.07 1.14 -0.21 0.00 0.43 0.00 0.00 52.55 53.84 3i1m s ASP 111 Cb 0.13 -2.45 0.06 0.00 -0.30 0.00 0.00 42.92 40.36 3i1m s ASP 111 CO 0.89 -0.40 1.64 0.00 -0.17 0.00 0.00 175.17 177.13 3i1m h ALA 112 N 7.36 -0.01 0.26 3.66 0.00 -1.86 -1.72 119.26 126.96 3i1m h ALA 112 Ca -0.29 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3i1m h ALA 112 Cb 1.13 0.46 -0.04 0.00 0.00 0.00 0.00 17.79 19.34 3i1m h ALA 112 CO 0.84 -0.60 -0.50 -0.22 0.00 0.00 0.00 179.25 178.76 3i1m h LYS 113 N -0.17 -0.79 -0.85 0.00 1.63 -1.90 0.30 116.57 114.78 3i1m h LYS 113 Ca 0.16 0.05 0.09 0.00 -0.85 0.00 0.00 60.65 60.11 3i1m h LYS 113 Cb 0.42 0.18 -0.07 0.00 -0.60 0.00 0.00 32.23 32.16 3i1m h LYS 113 CO -0.41 -0.52 0.49 -0.07 -3.45 0.00 0.00 179.45 175.49 3i1m h LEU 114 N -0.82 0.72 0.16 5.20 3.38 -1.82 0.43 115.31 122.56 3i1m h LEU 114 Ca -0.03 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.00 3i1m h LEU 114 Cb 0.77 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 3i1m h LEU 114 CO -0.19 0.41 -0.37 0.58 0.09 0.00 0.00 178.44 178.96 3i1m h VAL 115 N 0.83 0.24 0.19 1.22 2.07 -0.81 0.17 116.25 120.16 3i1m h VAL 115 Ca 0.40 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.92 3i1m h VAL 115 Cb 0.35 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 3i1m h VAL 115 CO -0.24 0.00 -0.32 0.00 0.02 0.00 0.00 177.57 177.03 3i1m h ALA 116 N -0.07 -0.92 -0.81 1.67 0.00 0.79 0.63 119.26 120.55 3i1m h ALA 116 Ca 0.02 -0.09 0.19 0.00 0.00 0.00 0.00 54.91 55.03 3i1m h ALA 116 Cb 0.64 0.64 -0.14 0.00 0.00 0.00 0.00 17.79 18.93 3i1m h ALA 116 CO -0.19 -0.97 0.06 -0.44 0.00 0.00 0.00 179.25 177.71 3i1m h ASP 117 N -0.55 -0.28 0.12 0.00 3.32 -0.16 0.18 116.42 119.06 3i1m h ASP 117 Ca -0.02 0.20 0.02 0.00 0.02 0.00 0.00 57.03 57.25 3i1m h ASP 117 Cb 0.51 0.34 -0.04 0.00 0.22 0.00 0.00 39.33 40.35 3i1m h ASP 117 CO -0.11 -0.18 -0.39 -1.28 -1.72 0.00 0.00 179.24 175.56 3i1m h SER 118 N 0.12 -1.14 0.02 6.45 0.87 -0.27 0.15 113.55 119.76 3i1m h SER 118 Ca 0.46 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 61.15 3i1m h SER 118 Cb 0.85 0.43 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 3i1m h SER 118 CO -0.68 -0.47 0.00 -0.29 -0.53 0.00 0.00 176.83 174.86 3i1m h ILE 119 N -0.62 0.00 0.00 2.23 2.10 0.16 -1.84 117.51 119.53 3i1m h ILE 119 Ca 0.02 -0.01 -0.16 0.00 1.08 0.00 0.00 64.86 65.80 3i1m h ILE 119 Cb 0.65 0.81 -0.02 0.00 -1.09 0.00 0.00 36.82 37.17 3i1m h ILE 119 CO -0.23 0.00 -0.92 0.74 -1.08 0.00 0.00 178.15 176.67 3i1m h THR 120 N 0.00 0.96 0.00 2.19 2.02 0.14 -3.19 112.91 115.03 3i1m h THR 120 Ca 0.00 -2.06 0.00 0.00 0.77 0.00 0.00 66.41 65.12 3i1m h THR 120 Cb 0.01 2.15 0.00 0.00 -1.74 0.00 0.00 68.15 68.57 3i1m h THR 120 CO 0.00 0.32 0.00 -1.20 0.37 0.00 0.00 175.52 175.01 3i1m n SER 121 N -4.49 0.00 -0.05 4.18 7.64 0.41 -0.94 113.62 120.36 3i1m n SER 121 Ca -0.25 0.21 -0.01 0.00 1.01 0.00 0.00 58.87 59.84 3i1m n SER 121 Cb 0.58 -0.25 -0.00 0.00 -1.01 0.00 0.00 64.21 63.53 3i1m n SER 121 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 3i1m h GLN 122 N 0.00 0.00 -0.82 1.43 1.08 -1.44 -2.36 115.11 113.01 3i1m h GLN 122 Ca 0.00 0.00 0.13 0.00 -1.45 0.00 0.00 58.65 57.33 3i1m h GLN 122 Cb 0.02 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 27.36 3i1m h GLN 122 CO 0.00 0.00 0.42 -0.07 -0.95 0.00 0.00 178.83 178.23 3i1m h LEU 123 N -0.98 0.52 -0.32 1.46 3.38 -1.26 0.62 115.31 118.73 3i1m h LEU 123 Ca 0.00 0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.11 3i1m h LEU 123 Cb 0.08 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 3i1m h LEU 123 CO 0.00 0.24 -0.00 -0.33 0.09 0.00 0.00 178.44 178.43 3i1m h GLU 124 N 0.63 0.08 0.00 1.13 4.39 -1.19 -1.55 114.58 118.07 3i1m h GLU 124 Ca 0.44 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.13 3i1m h GLU 124 Cb 0.58 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 3i1m h GLU 124 CO -0.34 0.06 0.00 0.00 -1.16 0.00 0.00 179.01 177.57 3i1m h ARG 125 N 0.09 0.00 -0.35 2.33 3.08 -0.01 -3.47 114.38 116.05 3i1m h ARG 125 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 3i1m h ARG 125 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 3i1m h ARG 125 CO -0.26 0.00 0.00 -2.13 -1.07 0.00 0.00 179.97 176.51 3i1m n ARG 126 N -2.78 0.00 -3.69 0.04 3.00 0.18 -5.05 116.66 108.37 3i1m n ARG 126 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 57.85 57.51 3i1m n ARG 126 Cb 0.22 -1.27 -0.05 0.00 0.00 0.00 0.00 32.46 31.36 3i1m n ARG 126 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 3i1m s VAL 127 N -2.35 5.21 -0.34 5.15 -7.23 -0.74 -4.99 120.40 115.11 3i1m s VAL 127 Ca 0.00 0.23 -0.42 0.00 -1.81 0.00 0.00 61.98 59.98 3i1m s VAL 127 Cb 0.00 -3.61 -0.17 0.00 0.56 0.00 0.00 36.38 33.17 3i1m s VAL 127 CO 0.00 0.28 1.72 0.80 -0.31 0.00 0.00 175.10 177.59 3i1m n MET 128 N 0.87 0.84 -0.17 4.82 1.56 -1.26 -4.45 117.12 119.32 3i1m n MET 128 Ca -0.09 0.31 0.12 0.00 -0.27 0.00 0.00 57.70 57.77 3i1m n MET 128 Cb 0.52 -1.95 0.45 0.00 2.15 0.00 0.00 33.22 34.39 3i1m n MET 128 CO 0.00 0.00 0.00 0.27 -0.73 0.00 0.00 175.97 175.51 3i1m h PHE 129 N 6.74 0.60 0.90 1.12 -0.00 -1.97 -2.23 116.94 122.10 3i1m h PHE 129 Ca -0.45 0.02 -0.04 0.00 -0.00 0.00 0.00 57.97 57.49 3i1m h PHE 129 Cb 1.33 -0.19 0.01 0.00 -0.00 0.00 0.00 35.95 37.10 3i1m h PHE 129 CO 0.75 0.26 -0.43 0.00 -0.00 0.00 0.00 178.31 178.89 3i1m h ARG 130 N 0.54 -1.16 -0.38 6.09 3.08 -2.01 -2.77 114.38 117.78 3i1m h ARG 130 Ca 0.35 0.08 0.08 0.00 0.07 0.00 0.00 59.98 60.56 3i1m h ARG 130 Cb 0.63 0.26 -0.09 0.00 0.08 0.00 0.00 29.97 30.85 3i1m h ARG 130 CO -0.12 -0.77 -0.27 0.00 -1.07 0.00 0.00 179.97 177.73 3i1m h ARG 131 N -1.23 -0.21 -0.30 0.04 3.08 -1.81 -2.29 114.38 111.67 3i1m h ARG 131 Ca -0.12 0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.01 3i1m h ARG 131 Cb 0.92 0.05 -0.08 0.00 0.08 0.00 0.00 29.97 30.94 3i1m h ARG 131 CO 0.20 -0.14 -0.25 0.00 -1.07 0.00 0.00 179.97 178.72 3i1m h ALA 132 N 0.89 -0.09 0.02 0.04 0.00 -1.42 0.31 119.26 119.00 3i1m h ALA 132 Ca 0.18 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.21 3i1m h ALA 132 Cb 0.50 0.54 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 3i1m h ALA 132 CO -0.50 -0.66 -0.40 0.52 0.00 0.00 0.00 179.25 178.21 3i1m h MET 133 N -0.23 -0.55 -0.13 0.00 2.86 -1.14 -0.33 114.93 115.42 3i1m h MET 133 Ca 0.16 0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.88 3i1m h MET 133 Cb 0.47 0.12 -0.07 0.00 0.06 0.00 0.00 31.60 32.19 3i1m h MET 133 CO -0.43 -0.36 -0.37 -0.22 1.06 0.00 0.00 176.91 176.59 3i1m h LYS 134 N -0.57 -0.42 -0.98 1.72 3.64 -0.79 0.12 116.57 119.30 3i1m h LYS 134 Ca 0.05 0.03 0.24 0.00 -1.27 0.00 0.00 60.65 59.70 3i1m h LYS 134 Cb 0.64 0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 32.48 3i1m h LYS 134 CO -0.30 -0.28 0.65 0.00 -2.27 0.00 0.00 179.45 177.25 3i1m h ARG 135 N -0.44 0.34 -0.03 1.90 2.47 -0.08 0.18 114.38 118.72 3i1m h ARG 135 Ca 0.09 -0.02 -0.05 0.00 -1.26 0.00 0.00 59.98 58.74 3i1m h ARG 135 Cb 0.59 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.83 3i1m h ARG 135 CO -0.38 0.22 -0.17 0.00 0.56 0.00 0.00 179.97 180.20 3i1m h ALA 136 N 1.59 0.06 -0.48 0.04 0.00 0.75 -2.92 119.26 118.29 3i1m h ALA 136 Ca 0.52 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 3i1m h ALA 136 Cb 1.42 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 3i1m h ALA 136 CO -0.20 0.02 0.02 0.28 0.00 0.00 0.00 179.25 179.37 3i1m h VAL 137 N -0.44 1.26 0.00 0.00 2.07 -0.33 -2.97 116.25 115.84 3i1m h VAL 137 Ca -0.01 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.47 3i1m h VAL 137 Cb 0.86 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 3i1m h VAL 137 CO 0.04 0.36 0.00 0.00 0.02 0.00 0.00 177.57 177.99 3i1m n GLN 138 N -4.36 0.00 0.00 1.57 6.02 0.55 -1.77 117.38 119.39 3i1m n GLN 138 Ca 0.01 0.14 0.00 0.00 -0.01 0.00 0.00 57.00 57.13 3i1m n GLN 138 Cb 0.30 -1.04 0.00 0.00 1.02 0.00 0.00 30.24 30.52 3i1m n GLN 138 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 3i1m n ASN 139 N -0.73 0.02 -0.10 1.08 2.04 -1.10 -0.44 115.26 116.02 3i1m n ASN 139 Ca 0.00 -0.29 -0.24 0.00 -0.44 0.00 0.00 54.58 53.61 3i1m n ASN 139 Cb 0.00 -0.01 -0.12 0.00 -2.53 0.00 0.00 39.78 37.12 3i1m n ASN 139 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3i1m n ALA 140 N -0.35 1.09 0.37 -2.53 0.00 -1.03 -4.02 120.51 114.04 3i1m n ALA 140 Ca 0.00 -0.86 0.11 0.00 0.00 0.00 0.00 53.44 52.69 3i1m n ALA 140 Cb 0.01 -0.23 0.49 0.00 0.00 0.00 0.00 19.45 19.71 3i1m n ALA 140 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3i1m n MET 141 N -3.94 0.18 0.25 0.00 2.81 0.41 -2.85 117.12 113.98 3i1m n MET 141 Ca -0.43 0.44 0.09 0.00 -1.81 0.00 0.00 57.70 55.98 3i1m n MET 141 Cb 0.89 -1.86 0.64 0.00 -0.71 0.00 0.00 33.22 32.18 3i1m n MET 141 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 3i1m h ARG 142 N 0.00 0.00 -0.78 0.03 9.65 -1.48 -3.24 114.38 118.56 3i1m h ARG 142 Ca 0.00 0.00 -0.39 0.00 -1.10 0.00 0.00 59.98 58.49 3i1m h ARG 142 Cb 0.32 0.00 -0.41 0.00 -1.39 0.00 0.00 29.97 28.49 3i1m h ARG 142 CO 0.00 0.08 -1.01 1.47 2.80 0.00 0.00 179.97 183.31 3i1m n LEU 143 N -4.27 2.84 0.00 3.80 -0.00 -1.13 -5.08 117.00 113.15 3i1m n LEU 143 Ca -0.03 -3.91 0.00 0.00 -0.00 0.00 0.00 56.01 52.07 3i1m n LEU 143 Cb 0.16 0.13 0.00 0.00 -0.00 0.00 0.00 43.42 43.71 3i1m n LEU 143 CO 0.33 1.59 0.00 0.61 -0.00 0.00 0.00 177.39 179.92 3i1m n GLY 144 N -0.50 0.12 2.45 1.47 0.00 -1.22 -5.08 105.19 102.44 3i1m n GLY 144 Ca 0.21 -1.75 -0.03 0.00 0.00 0.00 0.00 46.02 44.45 3i1m n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1m n ALA 145 N -0.78 -3.54 0.32 4.61 0.00 -1.26 -4.34 120.51 115.53 3i1m n ALA 145 Ca 0.00 1.42 0.15 0.00 0.00 0.00 0.00 53.44 55.01 3i1m n ALA 145 Cb 0.00 -2.77 0.65 0.00 0.00 0.00 0.00 19.45 17.33 3i1m n ALA 145 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3i1m h LYS 146 N 3.08 0.00 -2.62 0.00 1.79 -1.03 -3.44 116.57 114.34 3i1m h LYS 146 Ca -0.29 0.00 0.12 0.00 -2.18 0.00 0.00 60.65 58.30 3i1m h LYS 146 Cb 0.66 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.27 3i1m h LYS 146 CO 0.04 0.00 0.45 0.20 -1.08 0.00 0.00 179.45 179.06 3i1m s GLY 147 N -3.89 0.04 0.00 3.86 0.00 -1.09 -1.05 107.32 105.19 3i1m s GLY 147 Ca 0.02 -0.28 0.00 0.00 0.00 0.00 0.00 44.72 44.46 3i1m s GLY 147 CO 0.45 0.82 0.00 4.51 0.00 0.00 0.00 173.10 178.88 3i1m n ILE 148 N -0.57 0.00 -3.91 0.90 3.06 -0.89 -1.49 119.36 116.46 3i1m n ILE 148 Ca -0.05 0.00 -0.12 0.00 -2.50 0.00 0.00 62.75 60.07 3i1m n ILE 148 Cb 0.60 0.00 -0.14 0.00 0.54 0.00 0.00 39.64 40.64 3i1m n ILE 148 CO 0.00 0.00 0.00 -1.59 -2.50 0.00 0.00 176.55 172.46 3i1m s LYS 149 N -0.90 0.07 0.01 9.51 -2.85 -0.59 -1.43 119.74 123.56 3i1m s LYS 149 Ca 0.00 -0.04 0.05 0.00 -1.00 0.00 0.00 55.97 54.98 3i1m s LYS 149 Cb 0.00 -0.06 -0.03 0.00 -2.06 0.00 0.00 37.83 35.68 3i1m s LYS 149 CO 0.00 0.01 -0.14 0.14 0.10 0.00 0.00 175.35 175.47 3i1m s VAL 150 N -0.04 3.10 -0.33 1.79 -7.23 -1.24 -0.28 120.40 116.17 3i1m s VAL 150 Ca -0.00 -0.95 -0.02 0.00 -1.81 0.00 0.00 61.98 59.20 3i1m s VAL 150 Cb -0.00 -2.30 0.12 0.00 0.56 0.00 0.00 36.38 34.76 3i1m s VAL 150 CO -0.00 0.42 0.18 -0.70 -0.31 0.00 0.00 175.10 174.68 3i1m s GLU 151 N -1.26 0.40 0.01 4.82 2.12 0.10 -0.36 118.70 124.54 3i1m s GLU 151 Ca 0.15 -1.00 -0.09 0.00 0.36 0.00 0.00 54.97 54.39 3i1m s GLU 151 Cb -0.11 -1.25 -0.05 0.00 0.26 0.00 0.00 34.13 32.98 3i1m s GLU 151 CO 0.05 -1.13 0.30 0.14 -0.54 0.00 0.00 175.26 174.08 3i1m s VAL 152 N 1.49 5.24 0.04 3.70 -7.23 -1.03 -1.94 120.40 120.68 3i1m s VAL 152 Ca 0.14 0.34 -0.14 0.00 -1.81 0.00 0.00 61.98 60.51 3i1m s VAL 152 Cb -0.20 -3.59 0.02 0.00 0.56 0.00 0.00 36.38 33.17 3i1m s VAL 152 CO -0.15 0.42 0.31 -0.94 -0.31 0.00 0.00 175.10 174.43 3i1m s SER 153 N -1.53 -0.15 0.00 4.85 1.04 -0.35 -3.59 113.70 113.98 3i1m s SER 153 Ca 0.26 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.55 3i1m s SER 153 Cb -0.14 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.34 3i1m s SER 153 CO 0.15 -0.60 0.00 0.61 0.98 0.00 0.00 173.24 174.37 3i1m n GLY 154 N 0.65 -0.31 4.32 7.32 0.00 -0.64 -2.30 105.19 114.22 3i1m n GLY 154 Ca -0.19 -1.02 -0.31 0.00 0.00 0.00 0.00 46.02 44.51 3i1m n GLY 154 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1m n ARG 155 N 2.03 -0.97 -2.37 1.61 1.74 -1.26 -4.38 116.66 113.06 3i1m n ARG 155 Ca 0.00 0.09 -0.42 0.00 -0.77 0.00 0.00 57.85 56.75 3i1m n ARG 155 Cb 0.00 -3.59 -0.03 0.00 -1.02 0.00 0.00 32.46 27.82 3i1m n ARG 155 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3i1m s LEU 156 N -7.38 4.33 0.00 0.55 1.02 -1.26 -2.36 118.68 113.57 3i1m s LEU 156 Ca 0.00 2.00 0.00 0.00 0.02 0.00 0.00 54.13 56.15 3i1m s LEU 156 Cb -0.00 -3.57 0.00 0.00 0.02 0.00 0.00 46.19 42.64 3i1m s LEU 156 CO 1.00 -0.58 0.00 0.61 0.02 0.00 0.00 176.35 177.40 3i1m n GLY 157 N 3.39 1.19 0.82 -3.19 0.00 -1.26 -4.09 105.19 102.06 3i1m n GLY 157 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3i1m n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1m n GLY 158 N -2.00 0.13 3.42 -0.02 0.00 -0.99 -5.12 105.19 100.60 3i1m n GLY 158 Ca 0.00 -0.42 -0.21 0.00 0.00 0.00 0.00 46.02 45.39 3i1m n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1m s ALA 159 N -1.95 2.41 0.29 4.61 0.00 -1.26 -5.05 121.76 120.82 3i1m s ALA 159 Ca 0.00 -1.79 0.06 0.00 0.00 0.00 0.00 51.96 50.23 3i1m s ALA 159 Cb 0.00 -0.15 0.42 0.00 0.00 0.00 0.00 23.12 23.39 3i1m s ALA 159 CO 0.00 0.16 1.67 0.93 0.00 0.00 0.00 175.76 178.52 3i1m h GLU 160 N 2.39 0.22 -6.39 0.00 5.08 -1.98 -3.43 114.58 110.47 3i1m h GLU 160 Ca -0.39 -0.11 -0.52 0.00 -1.00 0.00 0.00 59.36 57.34 3i1m h GLU 160 Cb 1.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 3i1m h GLU 160 CO 0.62 0.64 -0.22 0.96 -1.00 0.00 0.00 179.01 180.00 3i1m s ILE 161 N -4.05 5.11 -0.20 3.13 -4.36 -1.26 -5.03 121.20 114.54 3i1m s ILE 161 Ca -0.04 -0.20 -0.05 0.00 -0.26 0.00 0.00 60.65 60.10 3i1m s ILE 161 Cb 0.13 -3.76 -0.02 0.00 1.25 0.00 0.00 42.46 40.06 3i1m s ILE 161 CO 0.77 -0.31 -0.01 0.00 0.24 0.00 0.00 174.94 175.64 3i1m s ALA 162 N -2.04 3.00 0.10 2.27 0.00 -1.26 -4.38 121.76 119.45 3i1m s ALA 162 Ca 0.41 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 51.35 3i1m s ALA 162 Cb -0.11 -1.76 0.00 0.00 0.00 0.00 0.00 23.12 21.25 3i1m s ALA 162 CO 0.31 -0.19 0.00 0.54 0.00 0.00 0.00 175.76 176.41 3i1m n ARG 163 N 4.33 2.98 0.00 0.00 1.74 -1.26 -4.82 116.66 119.63 3i1m n ARG 163 Ca -0.17 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.91 3i1m n ARG 163 Cb 0.52 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.96 3i1m n ARG 163 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3i1m n THR 164 N 0.00 0.00 0.00 0.55 -2.24 -1.26 -1.62 114.28 109.70 3i1m n THR 164 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3i1m n THR 164 Cb 0.00 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 3i1m n THR 164 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3i1m n GLU 165 N 0.00 0.00 -4.62 -0.78 4.71 -1.24 -3.88 120.64 114.83 3i1m n GLU 165 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 57.16 56.85 3i1m n GLU 165 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 31.44 30.34 3i1m n GLU 165 CO 0.00 0.00 0.00 1.67 0.09 0.00 0.00 177.13 178.89 3i1m s TRP 166 N 0.00 2.19 -0.48 -0.32 -0.00 -1.26 -2.46 118.94 116.61 3i1m s TRP 166 Ca 0.00 -0.80 0.06 0.00 -0.00 0.00 0.00 56.10 55.36 3i1m s TRP 166 Cb 0.00 -1.72 0.23 0.00 -0.00 0.00 0.00 33.47 31.98 3i1m s TRP 166 CO 0.00 0.29 0.78 0.98 -0.00 0.00 0.00 176.95 179.01 3i1m n TYR 167 N -1.16 -2.88 -2.28 1.66 9.36 0.52 -4.96 117.16 117.42 3i1m n TYR 167 Ca -0.11 -2.03 -0.37 0.00 3.32 0.00 0.00 57.90 58.71 3i1m n TYR 167 Cb 0.67 1.21 -0.01 0.00 -0.63 0.00 0.00 39.34 40.57 3i1m n TYR 167 CO 0.00 0.00 0.00 0.50 0.22 0.00 0.00 176.86 177.58 3i1m s ARG 168 N 0.41 3.74 -0.29 2.98 3.00 -1.26 -3.70 118.95 123.84 3i1m s ARG 168 Ca 0.32 1.73 -0.15 0.00 -1.00 0.00 0.00 55.73 56.63 3i1m s ARG 168 Cb 0.17 -2.36 0.12 0.00 0.00 0.00 0.00 34.95 32.88 3i1m s ARG 168 CO -0.19 -0.55 0.83 -2.00 0.00 0.00 0.00 175.30 173.38 3i1m s GLU 169 N -2.76 0.52 0.00 5.12 2.12 -0.51 -4.99 118.70 118.20 3i1m s GLU 169 Ca 0.64 0.98 0.00 0.00 0.36 0.00 0.00 54.97 56.95 3i1m s GLU 169 Cb -0.27 0.25 0.00 0.00 0.26 0.00 0.00 34.13 34.36 3i1m s GLU 169 CO 0.33 -0.12 0.00 0.41 -0.54 0.00 0.00 175.26 175.34 3i1m n GLY 170 N 4.31 0.89 3.11 -1.50 0.00 -1.26 -2.09 105.19 108.65 3i1m n GLY 170 Ca -0.17 -1.35 -0.10 0.00 0.00 0.00 0.00 46.02 44.40 3i1m n GLY 170 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i1m s ARG 171 N 0.00 0.28 -0.41 1.61 3.52 -0.22 -4.89 118.95 118.84 3i1m s ARG 171 Ca 0.00 0.84 0.01 0.00 -0.13 0.00 0.00 55.73 56.45 3i1m s ARG 171 Cb 0.00 0.03 0.14 0.00 -1.56 0.00 0.00 34.95 33.55 3i1m s ARG 171 CO 0.00 -0.35 0.23 0.08 -0.81 0.00 0.00 175.30 174.45 3i1m s VAL 172 N 2.54 0.93 -1.23 7.11 1.01 -1.26 -3.43 120.40 126.08 3i1m s VAL 172 Ca 0.02 -2.25 -0.13 0.00 0.00 0.00 0.00 61.98 59.63 3i1m s VAL 172 Cb -0.13 -1.66 0.17 0.00 0.00 0.00 0.00 36.38 34.77 3i1m s VAL 172 CO -0.12 -0.93 1.53 -2.65 0.00 0.00 0.00 175.10 172.93 3i1m n PRO 173 N 3.72 3.43 -0.31 2.72 -0.02 -1.26 -4.87 135.00 138.42 3i1m n PRO 173 Ca 0.10 -3.79 0.13 0.00 -2.02 0.00 0.00 63.50 57.92 3i1m n PRO 173 Cb 0.36 -3.01 0.30 0.00 -0.02 0.00 0.00 33.50 31.13 3i1m n PRO 173 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3i1m h LEU 174 N 9.25 0.41 -0.63 2.45 5.85 -1.99 -1.32 115.31 129.34 3i1m h LEU 174 Ca 0.33 0.14 0.00 0.00 0.84 0.00 0.00 57.88 59.19 3i1m h LEU 174 Cb 0.82 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.94 3i1m h LEU 174 CO 1.33 0.05 0.00 1.41 -0.34 0.00 0.00 178.44 180.89 3i1m n HIS 175 N -4.99 0.36 -3.10 1.25 8.25 -1.26 -4.55 115.22 111.18 3i1m n HIS 175 Ca 0.22 0.18 -0.41 0.00 -0.26 0.00 0.00 57.72 57.45 3i1m n HIS 175 Cb 0.62 -0.79 -0.06 0.00 1.12 0.00 0.00 29.99 30.89 3i1m n HIS 175 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3i1m s THR 176 N -3.25 4.98 0.01 1.59 2.01 -0.50 -4.97 115.64 115.51 3i1m s THR 176 Ca -0.00 1.16 -0.25 0.00 0.31 0.00 0.00 61.69 62.91 3i1m s THR 176 Cb 0.04 -3.95 -0.18 0.00 0.01 0.00 0.00 72.50 68.43 3i1m s THR 176 CO 0.13 0.02 1.32 -0.07 -0.69 0.00 0.00 174.62 175.33 3i1m h LEU 177 N 8.94 -0.18 0.00 4.42 -0.00 -1.88 -3.00 115.31 123.61 3i1m h LEU 177 Ca -0.27 -0.26 0.00 0.00 -0.00 0.00 0.00 57.88 57.36 3i1m h LEU 177 Cb 1.12 0.05 0.00 0.00 -0.00 0.00 0.00 40.66 41.83 3i1m h LEU 177 CO 0.78 0.18 0.00 -2.11 -0.00 0.00 0.00 178.44 177.29 3i1m n ARG 178 N -5.03 0.14 -2.30 1.13 1.85 -1.26 -4.69 116.66 106.50 3i1m n ARG 178 Ca -0.09 0.20 -0.43 0.00 -1.00 0.00 0.00 57.85 56.53 3i1m n ARG 178 Cb 0.22 -1.50 -0.02 0.00 -1.05 0.00 0.00 32.46 30.11 3i1m n ARG 178 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3i1m s ALA 179 N -2.61 3.64 0.05 2.89 0.00 -1.14 -4.37 121.76 120.22 3i1m s ALA 179 Ca 0.10 0.62 -0.30 0.00 0.00 0.00 0.00 51.96 52.37 3i1m s ALA 179 Cb 0.07 -3.65 -0.09 0.00 0.00 0.00 0.00 23.12 19.46 3i1m s ALA 179 CO 0.17 -1.20 1.85 0.34 0.00 0.00 0.00 175.76 176.92 3i1m s ASP 180 N 2.31 6.49 -0.11 0.00 -1.08 -1.20 -4.94 116.67 118.13 3i1m s ASP 180 Ca 0.60 2.62 -0.04 0.00 -0.52 0.00 0.00 52.55 55.21 3i1m s ASP 180 Cb -0.25 -2.54 0.06 0.00 -1.46 0.00 0.00 42.92 38.72 3i1m s ASP 180 CO 0.20 -1.00 0.21 -0.63 0.52 0.00 0.00 175.17 174.46 3i1m s ILE 181 N 3.70 -0.33 -0.19 4.11 -1.09 -1.26 -2.26 121.20 123.87 3i1m s ILE 181 Ca 0.83 0.30 -0.09 0.00 -2.23 0.00 0.00 60.65 59.45 3i1m s ILE 181 Cb -0.42 -0.38 -0.05 0.00 -1.58 0.00 0.00 42.46 40.03 3i1m s ILE 181 CO 0.37 0.11 0.10 -0.62 -1.23 0.00 0.00 174.94 173.67 3i1m s ASP 182 N 2.35 5.94 -0.03 3.58 3.68 -1.02 -4.77 116.67 126.40 3i1m s ASP 182 Ca 0.03 0.17 -0.00 0.00 2.13 0.00 0.00 52.55 54.87 3i1m s ASP 182 Cb -0.12 -2.03 0.03 0.00 -1.45 0.00 0.00 42.92 39.35 3i1m s ASP 182 CO -0.07 0.19 0.02 -0.47 0.13 0.00 0.00 175.17 174.96 3i1m s TYR 183 N 0.31 0.14 0.29 -5.34 5.04 -1.26 -1.95 117.35 114.58 3i1m s TYR 183 Ca 0.06 0.09 0.05 0.00 -2.44 0.00 0.00 57.07 54.83 3i1m s TYR 183 Cb -0.12 -0.33 -0.03 0.00 0.35 0.00 0.00 41.96 41.84 3i1m s TYR 183 CO -0.01 -0.11 0.25 -0.80 -1.34 0.00 0.00 175.55 173.53 3i1m s ASN 184 N 1.15 1.23 0.21 4.32 -0.87 -1.14 -4.80 114.94 115.05 3i1m s ASN 184 Ca -0.08 -1.65 0.11 0.00 -1.57 0.00 0.00 52.86 49.67 3i1m s ASN 184 Cb -0.13 0.51 -0.05 0.00 -0.02 0.00 0.00 41.25 41.57 3i1m s ASN 184 CO -0.03 -1.01 -0.21 -0.89 -2.57 0.00 0.00 177.10 172.40 3i1m s THR 185 N -3.63 2.21 -0.29 1.60 2.01 -1.26 -2.72 115.64 113.56 3i1m s THR 185 Ca 0.40 -2.13 0.03 0.00 0.31 0.00 0.00 61.69 60.30 3i1m s THR 185 Cb 0.04 -2.10 0.20 0.00 0.01 0.00 0.00 72.50 70.64 3i1m s THR 185 CO 0.23 -0.29 0.60 -0.55 -0.69 0.00 0.00 174.62 173.93 3i1m s SER 186 N -2.97 -1.53 0.46 3.53 0.15 -0.46 -4.73 113.70 108.15 3i1m s SER 186 Ca 0.22 0.41 -0.24 0.00 0.70 0.00 0.00 55.95 57.05 3i1m s SER 186 Cb -0.06 2.07 -0.07 0.00 -1.71 0.00 0.00 66.02 66.24 3i1m s SER 186 CO 0.10 -0.28 1.23 -1.61 1.20 0.00 0.00 173.24 173.88 3i1m s GLU 187 N 2.84 3.72 -0.26 5.44 2.02 -1.26 -1.62 118.70 129.58 3i1m s GLU 187 Ca 0.14 1.94 0.02 0.00 0.02 0.00 0.00 54.97 57.08 3i1m s GLU 187 Cb -0.12 -2.48 0.07 0.00 0.10 0.00 0.00 34.13 31.70 3i1m s GLU 187 CO -0.24 -0.63 -0.06 0.00 0.02 0.00 0.00 175.26 174.35 3i1m s ALA 188 N -1.43 2.33 -1.10 5.21 0.00 -0.66 -4.93 121.76 121.18 3i1m s ALA 188 Ca 0.63 -1.70 -0.22 0.00 0.00 0.00 0.00 51.96 50.67 3i1m s ALA 188 Cb -0.33 -1.57 0.02 0.00 0.00 0.00 0.00 23.12 21.23 3i1m s ALA 188 CO 0.40 -1.27 1.70 -1.01 0.00 0.00 0.00 175.76 175.58 3i1m s HIS 189 N 1.21 2.38 0.68 0.00 3.76 -1.26 -0.94 115.29 121.11 3i1m s HIS 189 Ca -0.05 -0.59 -0.11 0.00 -0.15 0.00 0.00 55.06 54.17 3i1m s HIS 189 Cb -0.19 -4.49 -0.00 0.00 1.11 0.00 0.00 32.58 29.01 3i1m s HIS 189 CO -0.07 -1.75 1.05 0.95 -0.85 0.00 0.00 174.74 174.08 3i1m s THR 190 N 6.66 4.13 -1.12 1.30 -4.23 0.14 -4.87 115.64 117.65 3i1m s THR 190 Ca 0.56 0.70 0.00 0.00 -1.18 0.00 0.00 61.69 61.78 3i1m s THR 190 Cb -0.00 -3.48 0.00 0.00 1.34 0.00 0.00 72.50 70.36 3i1m s THR 190 CO 0.00 -0.89 0.22 0.35 -0.54 0.00 0.00 174.62 173.77 3i1m n THR 191 N -3.03 0.00 -0.76 3.99 -2.24 -1.26 -2.18 114.28 108.80 3i1m n THR 191 Ca 0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 3i1m n THR 191 Cb 0.54 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 3i1m n THR 191 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i1m n TYR 192 N 0.20 0.00 -2.42 4.78 0.18 -1.26 -5.16 117.16 113.49 3i1m n TYR 192 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 3i1m n TYR 192 Cb 0.09 0.01 0.00 0.00 -0.38 0.00 0.00 39.34 39.05 3i1m n TYR 192 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3i1m n GLY 193 N 0.00 2.31 2.53 -7.48 0.00 -0.93 -5.12 105.19 96.50 3i1m n GLY 193 Ca 0.00 -0.76 -0.28 0.00 0.00 0.00 0.00 46.02 44.98 3i1m n GLY 193 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i1m s VAL 194 N -2.76 -0.02 -0.45 1.61 1.01 -1.26 0.28 120.40 118.82 3i1m s VAL 194 Ca 0.00 -1.06 -0.25 0.00 0.00 0.00 0.00 61.98 60.67 3i1m s VAL 194 Cb 0.00 -1.02 0.03 0.00 0.00 0.00 0.00 36.38 35.39 3i1m s VAL 194 CO 0.00 -0.80 0.88 -0.63 0.00 0.00 0.00 175.10 174.55 3i1m s ILE 195 N 1.77 4.53 0.19 2.22 1.01 -0.12 -4.77 121.20 126.03 3i1m s ILE 195 Ca 0.12 0.70 -0.30 0.00 0.00 0.00 0.00 60.65 61.17 3i1m s ILE 195 Cb -0.18 -4.39 -0.08 0.00 0.01 0.00 0.00 42.46 37.81 3i1m s ILE 195 CO -0.24 -0.77 1.27 -0.83 0.00 0.00 0.00 174.94 174.37 3i1m s GLY 196 N 2.19 2.52 -0.05 6.18 0.00 -0.97 -1.66 107.32 115.53 3i1m s GLY 196 Ca 0.35 1.04 0.05 0.00 0.00 0.00 0.00 44.72 46.16 3i1m s GLY 196 CO 0.25 2.00 -0.18 0.14 0.00 0.00 0.00 173.10 175.30 3i1m s VAL 197 N 0.11 2.69 -0.02 1.40 1.01 -0.64 -1.21 120.40 123.74 3i1m s VAL 197 Ca 0.56 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.69 3i1m s VAL 197 Cb -0.35 -2.03 0.01 0.00 0.00 0.00 0.00 36.38 34.01 3i1m s VAL 197 CO 0.37 0.58 -0.05 -0.54 0.00 0.00 0.00 175.10 175.46 3i1m s LYS 198 N -0.56 0.60 -0.02 2.72 1.02 -0.82 -1.35 119.74 121.34 3i1m s LYS 198 Ca 0.08 -0.16 0.00 0.00 0.02 0.00 0.00 55.97 55.91 3i1m s LYS 198 Cb -0.11 -0.61 0.02 0.00 -0.52 0.00 0.00 37.83 36.61 3i1m s LYS 198 CO 0.01 0.04 -0.01 0.54 -0.92 0.00 0.00 175.35 175.02 3i1m s VAL 199 N 0.29 0.15 0.01 3.17 0.11 -1.10 0.02 120.40 123.04 3i1m s VAL 199 Ca -0.03 0.03 0.03 0.00 -2.93 0.00 0.00 61.98 59.07 3i1m s VAL 199 Cb -0.07 -0.20 -0.03 0.00 -1.53 0.00 0.00 36.38 34.54 3i1m s VAL 199 CO -0.00 0.10 -0.04 0.26 -3.33 0.00 0.00 175.10 172.09 3i1m s TRP 200 N 0.59 2.97 -0.17 1.54 0.51 0.61 -2.87 118.94 122.11 3i1m s TRP 200 Ca -0.06 0.01 -0.04 0.00 -2.12 0.00 0.00 56.10 53.89 3i1m s TRP 200 Cb -0.08 -1.63 0.06 0.00 -0.81 0.00 0.00 33.47 31.01 3i1m s TRP 200 CO -0.01 0.42 0.07 0.42 -0.51 0.00 0.00 176.95 177.34 3i1m s ILE 201 N -1.05 0.07 -0.27 2.03 1.01 -0.82 -1.54 121.20 120.62 3i1m s ILE 201 Ca 0.18 -0.23 -0.24 0.00 0.00 0.00 0.00 60.65 60.37 3i1m s ILE 201 Cb -0.11 -0.66 -0.00 0.00 0.01 0.00 0.00 42.46 41.69 3i1m s ILE 201 CO 0.09 -0.23 0.80 0.12 0.00 0.00 0.00 174.94 175.71 3i1m s PHE 202 N 2.07 3.25 -0.17 3.97 5.36 -0.56 -2.44 117.98 129.46 3i1m s PHE 202 Ca 0.01 0.96 0.09 0.00 -0.96 0.00 0.00 56.93 57.04 3i1m s PHE 202 Cb -0.16 -3.12 -0.17 0.00 -0.34 0.00 0.00 43.02 39.23 3i1m s PHE 202 CO -0.08 -0.48 -0.03 1.63 -1.46 0.00 0.00 175.22 174.80 3i1m n LYS 203 N 6.09 1.08 0.00 10.12 5.02 -0.96 -0.48 118.16 139.04 3i1m n LYS 203 Ca 0.04 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 3i1m n LYS 203 Cb 0.48 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 34.08 3i1m n LYS 203 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i1m n GLY 204 N 2.21 0.02 0.00 0.72 0.00 -1.25 -4.61 105.19 102.29 3i1m n GLY 204 Ca -0.29 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.57 3i1m n GLY 204 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i1m n GLU 205 N 0.00 0.00 0.00 1.61 -0.58 -1.26 -3.21 120.64 117.20 3i1m n GLU 205 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3i1m n GLU 205 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3i1m n GLU 205 CO 0.00 0.00 0.00 1.51 -0.48 0.00 0.00 177.13 178.16