#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ice h LEU 3 N 0.00 0.54 -0.25 1.20 6.46 -1.24 0.24 115.31 122.26 3ice h LEU 3 Ca 0.00 0.06 0.02 0.00 -0.12 0.00 0.00 57.88 57.84 3ice h LEU 3 Cb 0.00 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 39.87 3ice h LEU 3 CO 0.00 0.30 0.10 0.74 -0.62 0.00 0.00 178.44 178.96 3ice h THR 4 N 0.67 0.96 -1.00 1.05 2.02 -1.95 -2.24 112.91 112.42 3ice h THR 4 Ca 0.38 -0.08 0.18 0.00 0.77 0.00 0.00 66.41 67.67 3ice h THR 4 Cb 0.41 0.71 -0.10 0.00 -1.74 0.00 0.00 68.15 67.43 3ice h THR 4 CO -0.28 0.04 0.62 -0.33 0.37 0.00 0.00 175.52 175.94 3ice h GLU 5 N 0.23 0.76 -0.02 6.66 5.08 -0.92 -0.40 114.58 125.96 3ice h GLU 5 Ca 0.11 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.29 3ice h GLU 5 Cb 0.06 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 3ice h GLU 5 CO -0.10 0.50 -0.60 -0.07 -1.00 0.00 0.00 179.01 177.75 3ice h LEU 6 N 0.78 0.08 -0.07 1.33 4.07 -0.88 -3.32 115.31 117.30 3ice h LEU 6 Ca 0.56 -0.05 -0.05 0.00 0.08 0.00 0.00 57.88 58.43 3ice h LEU 6 Cb 0.85 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.56 3ice h LEU 6 CO -0.35 0.66 -0.14 0.50 -1.08 0.00 0.00 178.44 178.03 3ice h LYS 7 N 0.05 0.22 -4.73 1.13 3.64 -0.51 -3.37 116.57 113.01 3ice h LYS 7 Ca -0.01 -0.14 -0.72 0.00 -1.27 0.00 0.00 60.65 58.52 3ice h LYS 7 Cb 1.07 0.02 -0.20 0.00 -0.41 0.00 0.00 32.23 32.71 3ice h LYS 7 CO 0.08 0.72 0.68 1.21 -2.27 0.00 0.00 179.45 179.87 3ice s ASN 8 N -6.07 6.68 -0.02 4.20 3.84 -1.02 -4.98 114.94 117.57 3ice s ASN 8 Ca -0.15 -2.23 0.03 0.00 0.21 0.00 0.00 52.86 50.72 3ice s ASN 8 Cb 0.03 -2.35 -0.00 0.00 -0.55 0.00 0.00 41.25 38.37 3ice s ASN 8 CO 0.73 -0.94 -0.11 0.42 -2.79 0.00 0.00 177.10 174.42 3ice s THR 9 N 2.04 0.86 0.00 -5.21 -4.23 -1.26 -4.93 115.64 102.92 3ice s THR 9 Ca 0.30 -0.44 0.00 0.00 -1.18 0.00 0.00 61.69 60.36 3ice s THR 9 Cb -0.06 -0.74 0.00 0.00 1.34 0.00 0.00 72.50 73.05 3ice s THR 9 CO -0.09 0.25 0.00 -0.81 -0.54 0.00 0.00 174.62 173.43 3ice n PRO 10 N 2.98 0.00 -0.29 3.99 -0.04 -1.26 -5.19 135.00 135.19 3ice n PRO 10 Ca -0.15 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.20 3ice n PRO 10 Cb 0.55 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.02 3ice n PRO 10 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 3ice n ARG 30 N 0.00 0.00 -0.25 0.54 0.63 -1.26 -5.23 116.66 111.09 3ice n ARG 30 Ca 0.00 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 56.91 3ice n ARG 30 Cb 0.00 -0.29 0.10 0.00 0.45 0.00 0.00 32.46 32.72 3ice n ARG 30 CO 0.00 0.00 0.00 1.57 -2.51 0.00 0.00 177.63 176.69 3ice h LYS 31 N -0.29 0.74 -0.14 -0.14 2.10 -2.05 0.95 116.57 117.75 3ice h LYS 31 Ca -0.12 -0.04 -0.21 0.00 -2.00 0.00 0.00 60.65 58.28 3ice h LYS 31 Cb 0.39 -0.17 0.01 0.00 -0.90 0.00 0.00 32.23 31.55 3ice h LYS 31 CO 0.06 0.49 -0.75 0.37 -2.00 0.00 0.00 179.45 177.62 3ice h GLN 32 N 0.76 0.68 -0.65 0.07 5.75 -2.04 -2.12 115.11 117.57 3ice h GLN 32 Ca 0.30 -0.55 -0.04 0.00 -0.15 0.00 0.00 58.65 58.22 3ice h GLN 32 Cb 0.14 0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.78 3ice h GLN 32 CO -0.16 1.16 0.24 -0.44 -2.65 0.00 0.00 178.83 176.98 3ice h ASP 33 N 0.46 0.91 -0.14 -0.69 3.32 -1.86 -0.33 116.42 118.09 3ice h ASP 33 Ca -0.04 -0.18 -0.21 0.00 0.02 0.00 0.00 57.03 56.62 3ice h ASP 33 Cb 1.36 -0.24 0.01 0.00 0.22 0.00 0.00 39.33 40.69 3ice h ASP 33 CO 0.15 0.85 -0.73 -0.29 -1.72 0.00 0.00 179.24 177.49 3ice h ILE 34 N 0.92 1.29 -0.02 0.35 6.09 -0.80 -0.33 117.51 125.02 3ice h ILE 34 Ca 0.21 -1.94 0.01 0.00 -1.37 0.00 0.00 64.86 61.77 3ice h ILE 34 Cb 0.23 2.02 -0.01 0.00 0.47 0.00 0.00 36.82 39.54 3ice h ILE 34 CO -0.01 0.61 -0.02 -0.29 -3.07 0.00 0.00 178.15 175.37 3ice h ILE 35 N 0.46 0.95 -0.70 2.19 6.09 -1.28 -0.58 117.51 124.64 3ice h ILE 35 Ca -0.05 0.00 0.12 0.00 -1.37 0.00 0.00 64.86 63.56 3ice h ILE 35 Cb 1.36 0.95 -0.08 0.00 0.47 0.00 0.00 36.82 39.52 3ice h ILE 35 CO 0.15 0.00 0.29 0.15 -3.07 0.00 0.00 178.15 175.67 3ice h PHE 36 N -0.02 0.50 -0.46 2.19 3.57 -0.98 0.15 116.94 121.90 3ice h PHE 36 Ca 0.01 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.64 3ice h PHE 36 Cb 0.04 -0.12 -0.08 0.00 2.79 0.00 0.00 35.95 38.58 3ice h PHE 36 CO -0.10 0.11 -0.10 0.00 -2.23 0.00 0.00 178.31 175.99 3ice h ALA 37 N 1.48 0.32 -0.73 2.41 0.00 -0.38 -1.43 119.26 120.94 3ice h ALA 37 Ca 0.37 0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.41 3ice h ALA 37 Cb 0.49 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 3ice h ALA 37 CO -0.34 -0.44 0.30 0.82 0.00 0.00 0.00 179.25 179.58 3ice h ILE 38 N 0.02 1.25 -0.08 0.00 2.04 0.75 -2.80 117.51 118.69 3ice h ILE 38 Ca 0.22 -0.77 -0.00 0.00 1.00 0.00 0.00 64.86 65.31 3ice h ILE 38 Cb 0.34 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 36.81 3ice h ILE 38 CO -0.46 0.31 0.04 -0.07 0.00 0.00 0.00 178.15 177.98 3ice h LEU 39 N 1.04 0.10 -1.17 1.44 3.38 -0.08 -2.61 115.31 117.40 3ice h LEU 39 Ca 0.24 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 3ice h LEU 39 Cb 0.20 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3ice h LEU 39 CO -0.02 0.15 -0.37 0.07 0.09 0.00 0.00 178.44 178.36 3ice h LYS 40 N 0.04 0.09 0.00 1.13 2.10 -1.21 -1.27 116.57 117.44 3ice h LYS 40 Ca 0.03 -0.03 -0.05 0.00 -2.00 0.00 0.00 60.65 58.60 3ice h LYS 40 Cb 0.07 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.39 3ice h LYS 40 CO -0.00 0.44 -0.22 1.96 -2.00 0.00 0.00 179.45 179.63 3ice h GLN 41 N 0.07 0.00 0.00 0.07 1.08 -1.36 0.03 115.11 115.00 3ice h GLN 41 Ca 0.01 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 3ice h GLN 41 Cb 0.68 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.11 3ice h GLN 41 CO 0.05 0.22 -0.07 1.25 -0.95 0.00 0.00 178.83 179.33 3ice h HIS 42 N 0.00 0.00 0.00 2.96 2.76 -0.84 -3.09 115.15 116.94 3ice h HIS 42 Ca -0.00 0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.07 3ice h HIS 42 Cb 0.72 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.66 3ice h HIS 42 CO 0.00 0.07 -1.50 0.00 -1.30 0.00 0.00 177.93 175.19 3ice n ALA 43 N -2.50 2.27 0.08 5.26 0.00 -0.09 -2.39 120.51 123.14 3ice n ALA 43 Ca -0.03 -0.51 -0.02 0.00 0.00 0.00 0.00 53.44 52.88 3ice n ALA 43 Cb 0.15 -0.89 0.24 0.00 0.00 0.00 0.00 19.45 18.95 3ice n ALA 43 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 3ice h LYS 44 N 0.00 0.31 0.00 0.00 2.10 -1.25 0.59 116.57 118.32 3ice h LYS 44 Ca -0.11 -0.13 0.00 0.00 -2.00 0.00 0.00 60.65 58.41 3ice h LYS 44 Cb 1.33 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.65 3ice h LYS 44 CO 0.02 0.61 0.00 0.43 -2.00 0.00 0.00 179.45 178.51 3ice n SER 45 N -4.09 0.32 0.00 7.07 7.64 -1.22 -4.84 113.62 118.50 3ice n SER 45 Ca -0.01 0.59 0.00 0.00 1.01 0.00 0.00 58.87 60.46 3ice n SER 45 Cb 0.43 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 3ice n SER 45 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ice n GLY 46 N -0.23 0.94 3.72 0.23 0.00 0.20 -5.04 105.19 105.01 3ice n GLY 46 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 3ice n GLY 46 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3ice n GLU 47 N -2.00 1.28 -3.44 1.61 4.07 -1.00 -4.95 120.64 116.21 3ice n GLU 47 Ca 0.00 0.49 -0.38 0.00 -0.06 0.00 0.00 57.16 57.21 3ice n GLU 47 Cb 0.00 -2.51 -0.06 0.00 -0.06 0.00 0.00 31.44 28.81 3ice n GLU 47 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 3ice s ASP 48 N -1.21 6.72 0.15 4.31 1.01 -1.26 -4.30 116.67 122.09 3ice s ASP 48 Ca 0.78 0.85 0.10 0.00 0.71 0.00 0.00 52.55 54.99 3ice s ASP 48 Cb -0.40 -2.25 -0.04 0.00 1.01 0.00 0.00 42.92 41.24 3ice s ASP 48 CO 0.44 0.19 -0.18 -0.63 0.21 0.00 0.00 175.17 175.19 3ice s ILE 49 N -0.30 2.77 0.14 0.77 1.09 -1.26 -4.86 121.20 119.55 3ice s ILE 49 Ca 0.23 -1.67 0.08 0.00 -1.10 0.00 0.00 60.65 58.20 3ice s ILE 49 Cb -0.16 -2.30 -0.04 0.00 -1.06 0.00 0.00 42.46 38.90 3ice s ILE 49 CO 0.11 0.01 -0.12 -0.36 -0.10 0.00 0.00 174.94 174.47 3ice s PHE 50 N -1.37 2.63 0.08 3.97 2.99 -1.26 -2.78 117.98 122.23 3ice s PHE 50 Ca 0.20 -0.22 0.01 0.00 0.00 0.00 0.00 56.93 56.92 3ice s PHE 50 Cb -0.10 -1.34 -0.04 0.00 0.00 0.00 0.00 43.02 41.54 3ice s PHE 50 CO 0.11 0.45 -0.06 0.20 -0.00 0.00 0.00 175.22 175.93 3ice s GLY 51 N -2.46 0.64 -0.13 4.36 0.00 -1.01 -0.64 107.32 108.07 3ice s GLY 51 Ca 0.22 -1.21 -0.23 0.00 0.00 0.00 0.00 44.72 43.50 3ice s GLY 51 CO 0.13 -1.30 0.58 0.51 0.00 0.00 0.00 173.10 173.02 3ice s ASP 52 N -2.75 -0.57 0.00 1.64 3.84 -1.26 -2.70 116.67 114.86 3ice s ASP 52 Ca 0.07 0.88 0.00 0.00 -0.00 0.00 0.00 52.55 53.49 3ice s ASP 52 Cb 0.03 0.86 0.00 0.00 -1.38 0.00 0.00 42.92 42.43 3ice s ASP 52 CO -0.05 -0.38 0.00 0.61 -0.00 0.00 0.00 175.17 175.35 3ice n GLY 53 N 1.91 -0.80 3.10 2.12 0.00 -0.89 -4.90 105.19 105.74 3ice n GLY 53 Ca -0.17 -0.71 -0.28 0.00 0.00 0.00 0.00 46.02 44.87 3ice n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ice s VAL 54 N -3.00 1.52 0.36 1.61 1.01 -1.23 -0.28 120.40 120.38 3ice s VAL 54 Ca 0.00 -0.70 -0.28 0.00 0.00 0.00 0.00 61.98 61.00 3ice s VAL 54 Cb 0.00 -1.35 -0.10 0.00 0.00 0.00 0.00 36.38 34.93 3ice s VAL 54 CO 0.00 0.44 1.32 -0.22 0.00 0.00 0.00 175.10 176.64 3ice s LEU 55 N 0.56 4.36 -0.15 3.92 2.96 0.86 -2.76 118.68 128.43 3ice s LEU 55 Ca -0.16 2.71 -0.04 0.00 -0.22 0.00 0.00 54.13 56.42 3ice s LEU 55 Cb -0.17 -3.72 0.07 0.00 0.50 0.00 0.00 46.19 42.87 3ice s LEU 55 CO 0.05 -0.65 0.16 -0.70 -1.32 0.00 0.00 176.35 173.89 3ice s GLU 56 N -1.95 0.09 -0.08 1.98 2.12 -0.95 -0.46 118.70 119.45 3ice s GLU 56 Ca 0.51 0.25 -0.19 0.00 0.36 0.00 0.00 54.97 55.91 3ice s GLU 56 Cb -0.40 -1.05 -0.05 0.00 0.26 0.00 0.00 34.13 32.90 3ice s GLU 56 CO 0.53 -0.53 0.51 0.42 -0.54 0.00 0.00 175.26 175.64 3ice s ILE 57 N 2.26 5.11 0.00 -3.70 1.09 -1.26 -2.36 121.20 122.33 3ice s ILE 57 Ca 0.04 1.03 0.00 0.00 -1.10 0.00 0.00 60.65 60.62 3ice s ILE 57 Cb -0.14 -3.84 0.00 0.00 -1.06 0.00 0.00 42.46 37.42 3ice s ILE 57 CO -0.09 0.37 0.00 0.18 -0.10 0.00 0.00 174.94 175.30 3ice n LEU 58 N 3.27 0.00 -0.02 2.97 4.77 0.78 -4.94 117.00 123.84 3ice n LEU 58 Ca -0.07 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.74 3ice n LEU 58 Cb 0.52 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.51 3ice n LEU 58 CO 0.43 -0.48 0.35 -0.61 -1.33 0.00 0.00 177.39 175.75 3ice h GLN 59 N 0.00 0.38 0.00 3.23 4.15 -1.98 -3.00 115.11 117.89 3ice h GLN 59 Ca 0.00 -0.35 0.00 0.00 0.77 0.00 0.00 58.65 59.07 3ice h GLN 59 Cb 0.00 0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.77 3ice h GLN 59 CO 0.00 1.01 0.00 -0.25 -1.93 0.00 0.00 178.83 177.66 3ice n ASP 60 N -4.32 0.18 0.00 -0.69 10.43 -1.26 -4.83 116.55 116.06 3ice n ASP 60 Ca -0.09 0.54 0.00 0.00 2.57 0.00 0.00 54.79 57.81 3ice n ASP 60 Cb 0.58 -0.58 0.00 0.00 1.84 0.00 0.00 41.12 42.96 3ice n ASP 60 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3ice n GLY 61 N 0.14 2.14 3.72 0.44 0.00 -1.13 -5.02 105.19 105.48 3ice n GLY 61 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3ice n GLY 61 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3ice s PHE 62 N -2.16 3.27 0.04 1.61 -0.12 -1.26 -4.02 117.98 115.34 3ice s PHE 62 Ca 0.00 1.07 -0.07 0.00 -0.05 0.00 0.00 56.93 57.88 3ice s PHE 62 Cb 0.00 -3.63 -0.01 0.00 -0.63 0.00 0.00 43.02 38.76 3ice s PHE 62 CO 0.00 -2.11 0.13 0.20 -0.05 0.00 0.00 175.22 173.40 3ice s GLY 63 N 0.85 0.12 0.19 1.99 0.00 -1.16 -0.15 107.32 109.15 3ice s GLY 63 Ca 0.61 -0.43 0.03 0.00 0.00 0.00 0.00 44.72 44.94 3ice s GLY 63 CO 0.33 -0.58 -0.03 -1.36 0.00 0.00 0.00 173.10 171.45 3ice s PHE 64 N -2.52 1.36 0.19 1.90 0.08 -1.00 -0.15 117.98 117.85 3ice s PHE 64 Ca -0.06 -0.90 -0.16 0.00 0.12 0.00 0.00 56.93 55.93 3ice s PHE 64 Cb -0.02 -0.76 -0.08 0.00 -0.57 0.00 0.00 43.02 41.60 3ice s PHE 64 CO -0.04 -0.06 0.62 -0.51 -0.10 0.00 0.00 175.22 175.14 3ice s LEU 65 N -3.22 4.31 0.26 -0.37 1.43 -1.09 -2.23 118.68 117.76 3ice s LEU 65 Ca 0.23 1.20 0.10 0.00 -1.03 0.00 0.00 54.13 54.64 3ice s LEU 65 Cb 0.05 -3.46 -0.05 0.00 0.03 0.00 0.00 46.19 42.76 3ice s LEU 65 CO 0.05 0.05 -0.10 -0.13 0.23 0.00 0.00 176.35 176.45 3ice s ARG 66 N -2.09 2.01 0.33 1.70 1.81 -1.11 -3.71 118.95 117.90 3ice s ARG 66 Ca 0.41 -1.53 -0.12 0.00 -1.72 0.00 0.00 55.73 52.77 3ice s ARG 66 Cb -0.15 -2.01 -0.08 0.00 -0.45 0.00 0.00 34.95 32.27 3ice s ARG 66 CO 0.20 0.36 0.70 0.45 -0.68 0.00 0.00 175.30 176.33 3ice s SER 67 N -3.48 6.65 0.17 0.23 0.15 -1.26 -3.57 113.70 112.59 3ice s SER 67 Ca 0.30 1.13 -0.04 0.00 0.70 0.00 0.00 55.95 58.04 3ice s SER 67 Cb -0.06 -2.31 0.05 0.00 -1.71 0.00 0.00 66.02 61.98 3ice s SER 67 CO 0.17 -0.24 1.44 0.00 1.20 0.00 0.00 173.24 175.81 3ice h ALA 68 N 1.95 0.60 0.00 5.45 0.00 -1.97 -1.42 119.26 123.87 3ice h ALA 68 Ca -0.47 -0.57 -0.03 0.00 0.00 0.00 0.00 54.91 53.84 3ice h ALA 68 Cb 1.18 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 3ice h ALA 68 CO 0.66 0.72 -0.14 0.38 0.00 0.00 0.00 179.25 180.87 3ice h ASP 69 N 0.37 0.00 0.00 0.00 2.03 -1.94 -0.86 116.42 116.01 3ice h ASP 69 Ca -0.02 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.28 3ice h ASP 69 Cb 1.23 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.73 3ice h ASP 69 CO 0.12 0.14 0.00 -1.20 -1.03 0.00 0.00 179.24 177.27 3ice n SER 70 N -3.47 0.00 -1.94 4.15 7.64 -1.10 -4.80 113.62 114.10 3ice n SER 70 Ca -0.01 -0.98 -0.20 0.00 1.01 0.00 0.00 58.87 58.70 3ice n SER 70 Cb 0.30 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.46 3ice n SER 70 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3ice n SER 71 N -0.97 -5.53 -1.75 6.43 2.88 -0.33 -1.21 113.62 113.14 3ice n SER 71 Ca 0.21 0.19 -0.16 0.00 -1.33 0.00 0.00 58.87 57.78 3ice n SER 71 Cb 0.10 -4.64 -0.01 0.00 -0.75 0.00 0.00 64.21 58.90 3ice n SER 71 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 3ice n TYR 72 N -3.36 -0.68 -2.22 0.66 4.01 -0.55 -4.82 117.16 110.20 3ice n TYR 72 Ca -0.22 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.24 3ice n TYR 72 Cb 0.66 -3.22 0.02 0.00 -0.31 0.00 0.00 39.34 36.50 3ice n TYR 72 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 3ice s LEU 73 N -4.48 3.26 0.29 7.72 2.96 -0.35 -4.88 118.68 123.21 3ice s LEU 73 Ca 0.00 1.03 -0.30 0.00 -0.22 0.00 0.00 54.13 54.64 3ice s LEU 73 Cb 0.00 -3.93 -0.13 0.00 0.50 0.00 0.00 46.19 42.63 3ice s LEU 73 CO 0.00 -0.95 1.35 0.00 -1.32 0.00 0.00 176.35 175.43 3ice n ALA 74 N -2.63 1.20 -2.55 5.97 0.00 -1.26 -4.58 120.51 116.67 3ice n ALA 74 Ca 0.04 0.39 -0.10 0.00 0.00 0.00 0.00 53.44 53.77 3ice n ALA 74 Cb 0.56 -2.26 -0.11 0.00 0.00 0.00 0.00 19.45 17.64 3ice n ALA 74 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3ice s GLY 75 N -0.01 0.49 0.60 0.00 0.00 -1.26 -5.03 107.32 102.12 3ice s GLY 75 Ca 0.62 -0.96 0.37 0.00 0.00 0.00 0.00 44.72 44.75 3ice s GLY 75 CO 0.56 -1.04 2.21 -2.55 0.00 0.00 0.00 173.10 172.27 3ice h PRO 76 N 3.86 0.00 0.00 2.90 0.11 -2.00 -2.65 132.00 134.22 3ice h PRO 76 Ca -0.34 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.72 3ice h PRO 76 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3ice h PRO 76 CO 0.52 0.03 -0.50 -0.44 -0.21 0.00 0.00 178.00 177.39 3ice h ASP 77 N 0.00 0.00 -4.01 -2.05 3.45 -1.96 -3.47 116.42 108.37 3ice h ASP 77 Ca -0.00 0.00 -0.56 0.00 0.43 0.00 0.00 57.03 56.90 3ice h ASP 77 Cb 0.19 0.00 0.16 0.00 -0.56 0.00 0.00 39.33 39.13 3ice h ASP 77 CO 0.00 0.19 0.41 0.47 -1.57 0.00 0.00 179.24 178.75 3ice n ASP 78 N -3.02 1.67 -4.39 6.45 8.00 -1.00 -4.87 116.55 119.39 3ice n ASP 78 Ca 0.01 0.79 -0.33 0.00 0.71 0.00 0.00 54.79 55.98 3ice n ASP 78 Cb 0.62 -1.52 -0.14 0.00 -0.02 0.00 0.00 41.12 40.06 3ice n ASP 78 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3ice s ILE 79 N -1.50 2.83 0.49 0.53 1.01 -1.24 -4.50 121.20 118.82 3ice s ILE 79 Ca 0.80 -0.78 -0.23 0.00 0.00 0.00 0.00 60.65 60.45 3ice s ILE 79 Cb -0.37 -2.12 -0.06 0.00 0.01 0.00 0.00 42.46 39.91 3ice s ILE 79 CO 0.43 0.56 1.26 -0.47 0.00 0.00 0.00 174.94 176.72 3ice s TYR 80 N -0.22 2.62 -0.15 3.97 5.04 -0.93 -2.67 117.35 125.00 3ice s TYR 80 Ca 0.00 1.46 -0.02 0.00 -2.44 0.00 0.00 57.07 56.07 3ice s TYR 80 Cb -0.13 -3.58 0.05 0.00 0.35 0.00 0.00 41.96 38.65 3ice s TYR 80 CO 0.03 -2.14 0.00 0.08 -1.34 0.00 0.00 175.55 172.19 3ice s VAL 81 N -1.42 0.61 0.39 3.14 1.01 0.79 -3.11 120.40 121.81 3ice s VAL 81 Ca 0.67 -0.35 -0.27 0.00 0.00 0.00 0.00 61.98 62.02 3ice s VAL 81 Cb -0.34 -0.93 -0.10 0.00 0.00 0.00 0.00 36.38 35.01 3ice s VAL 81 CO 0.41 0.02 1.45 -0.24 0.00 0.00 0.00 175.10 176.74 3ice n SER 82 N 5.04 3.53 0.27 3.32 2.88 -1.26 -3.00 113.62 124.39 3ice n SER 82 Ca -0.09 1.19 0.10 0.00 -1.33 0.00 0.00 58.87 58.75 3ice n SER 82 Cb 0.48 -1.60 0.73 0.00 -0.75 0.00 0.00 64.21 63.08 3ice n SER 82 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3ice h PRO 83 N 2.71 0.00 -0.07 -1.46 0.11 -1.94 0.14 132.00 131.48 3ice h PRO 83 Ca -0.50 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.49 3ice h PRO 83 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 3ice h PRO 83 CO 0.63 0.00 -0.51 0.66 -0.21 0.00 0.00 178.00 178.57 3ice h SER 84 N 0.00 0.21 0.76 -2.05 4.64 -1.91 0.36 113.55 115.56 3ice h SER 84 Ca 0.00 -0.10 -0.11 0.00 -0.47 0.00 0.00 61.79 61.11 3ice h SER 84 Cb 0.01 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 3ice h SER 84 CO -0.00 0.68 -0.52 1.56 -0.87 0.00 0.00 176.83 177.68 3ice h GLN 85 N 0.15 0.00 -0.26 4.77 4.20 -1.39 -2.23 115.11 120.35 3ice h GLN 85 Ca 0.00 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.54 3ice h GLN 85 Cb 0.95 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.73 3ice h GLN 85 CO 0.08 0.52 -0.52 0.82 -0.67 0.00 0.00 178.83 179.06 3ice h ILE 86 N 0.00 1.29 -0.04 2.54 2.04 0.14 -2.98 117.51 120.50 3ice h ILE 86 Ca -0.01 -1.71 -0.13 0.00 1.00 0.00 0.00 64.86 64.01 3ice h ILE 86 Cb 1.04 1.70 -0.01 0.00 -0.74 0.00 0.00 36.82 38.80 3ice h ILE 86 CO 0.07 0.55 -0.59 0.08 0.00 0.00 0.00 178.15 178.26 3ice h ARG 87 N 0.58 0.13 0.14 2.37 0.11 -0.97 0.14 114.38 116.88 3ice h ARG 87 Ca 0.01 -0.09 0.01 0.00 0.10 0.00 0.00 59.98 60.01 3ice h ARG 87 Cb 1.13 0.01 -0.03 0.00 1.11 0.00 0.00 29.97 32.19 3ice h ARG 87 CO 0.12 0.69 -0.23 0.00 0.10 0.00 0.00 179.97 180.64 3ice h ARG 88 N 0.10 -0.42 -0.35 0.08 2.47 -1.30 -2.92 114.38 112.04 3ice h ARG 88 Ca -0.01 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 3ice h ARG 88 Cb 1.07 0.10 0.00 0.00 -1.65 0.00 0.00 29.97 29.49 3ice h ARG 88 CO 0.09 -0.28 0.00 1.19 0.56 0.00 0.00 179.97 181.52 3ice n PHE 89 N -5.35 0.45 -3.35 3.04 3.72 -1.13 -4.95 117.46 109.88 3ice n PHE 89 Ca -0.07 -0.22 -0.24 0.00 -0.05 0.00 0.00 57.45 56.87 3ice n PHE 89 Cb 0.26 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.86 3ice n PHE 89 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3ice n ASN 90 N 1.35 -6.07 -4.74 4.37 5.03 0.32 -4.92 115.26 110.60 3ice n ASN 90 Ca 0.19 -0.44 -0.33 0.00 0.87 0.00 0.00 54.58 54.88 3ice n ASN 90 Cb 0.57 -4.85 0.09 0.00 -1.02 0.00 0.00 39.78 34.58 3ice n ASN 90 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3ice s LEU 91 N -7.00 3.18 0.04 3.41 1.02 -0.19 -5.01 118.68 114.13 3ice s LEU 91 Ca 0.46 2.10 0.02 0.00 0.02 0.00 0.00 54.13 56.74 3ice s LEU 91 Cb -0.21 -4.56 -0.02 0.00 0.02 0.00 0.00 46.19 41.42 3ice s LEU 91 CO 0.57 -2.20 -0.08 -0.13 0.02 0.00 0.00 176.35 174.53 3ice s ARG 92 N -4.33 0.55 0.28 1.70 0.52 -1.26 -4.94 118.95 111.46 3ice s ARG 92 Ca 0.68 -0.69 -0.30 0.00 -0.52 0.00 0.00 55.73 54.89 3ice s ARG 92 Cb -0.23 -0.36 -0.13 0.00 0.52 0.00 0.00 34.95 34.75 3ice s ARG 92 CO 0.49 0.07 1.34 -2.37 0.02 0.00 0.00 175.30 174.85 3ice n THR 93 N 1.66 1.37 -0.28 0.02 5.66 -1.26 -2.47 114.28 118.98 3ice n THR 93 Ca -0.21 -0.34 0.00 0.00 -3.05 0.00 0.00 64.05 60.45 3ice n THR 93 Cb 0.55 -1.46 0.00 0.00 -1.55 0.00 0.00 70.33 67.87 3ice n THR 93 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3ice n GLY 94 N 1.63 0.86 3.59 1.09 0.00 0.39 -4.58 105.19 108.17 3ice n GLY 94 Ca 0.09 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 3ice n GLY 94 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ice s ASP 95 N -2.01 6.29 0.42 1.61 -0.00 -1.03 -3.64 116.67 118.31 3ice s ASP 95 Ca 0.00 0.21 -0.26 0.00 -0.00 0.00 0.00 52.55 52.50 3ice s ASP 95 Cb 0.00 -2.23 -0.09 0.00 -0.00 0.00 0.00 42.92 40.60 3ice s ASP 95 CO 0.00 -0.28 1.42 -0.89 -0.00 0.00 0.00 175.17 175.42 3ice s THR 96 N 2.17 2.17 0.00 -1.27 2.01 -1.26 -0.10 115.64 119.36 3ice s THR 96 Ca 0.16 0.16 0.03 0.00 0.31 0.00 0.00 61.69 62.35 3ice s THR 96 Cb -0.16 -3.10 -0.01 0.00 0.01 0.00 0.00 72.50 69.25 3ice s THR 96 CO 0.11 0.03 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.34 3ice s ILE 97 N -1.19 0.72 -0.00 1.82 1.09 0.61 0.80 121.20 125.05 3ice s ILE 97 Ca 0.58 -0.49 0.03 0.00 -1.10 0.00 0.00 60.65 59.66 3ice s ILE 97 Cb -0.43 -0.62 -0.01 0.00 -1.06 0.00 0.00 42.46 40.33 3ice s ILE 97 CO 0.57 0.13 -0.08 -0.94 -0.10 0.00 0.00 174.94 174.52 3ice s SER 98 N -0.40 0.97 0.00 3.58 1.04 -0.20 -2.09 113.70 116.60 3ice s SER 98 Ca 0.02 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.28 3ice s SER 98 Cb -0.04 -0.10 0.00 0.00 0.10 0.00 0.00 66.02 65.98 3ice s SER 98 CO -0.00 0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.91 3ice n GLY 99 N 2.78 -0.25 3.77 7.32 0.00 -1.10 -0.80 105.19 116.91 3ice n GLY 99 Ca -0.14 -0.95 -0.40 0.00 0.00 0.00 0.00 46.02 44.53 3ice n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ice s LYS 100 N -2.00 4.13 0.04 1.61 1.02 -0.14 -2.40 119.74 122.00 3ice s LYS 100 Ca 0.00 2.09 -0.00 0.00 0.02 0.00 0.00 55.97 58.08 3ice s LYS 100 Cb 0.00 -2.85 -0.03 0.00 -0.52 0.00 0.00 37.83 34.42 3ice s LYS 100 CO 0.00 -0.33 -0.04 0.96 -0.92 0.00 0.00 175.35 175.02 3ice s ILE 101 N -1.25 0.25 0.04 2.17 -4.36 -1.12 0.11 121.20 117.04 3ice s ILE 101 Ca 0.54 -1.46 0.02 0.00 -0.26 0.00 0.00 60.65 59.49 3ice s ILE 101 Cb -0.37 -1.03 -0.02 0.00 1.25 0.00 0.00 42.46 42.29 3ice s ILE 101 CO 0.48 -0.77 -0.08 0.00 0.24 0.00 0.00 174.94 174.81 3ice s ARG 102 N -2.89 0.53 0.71 0.37 1.04 -1.10 -4.39 118.95 113.22 3ice s ARG 102 Ca -0.02 -0.78 -0.16 0.00 -1.04 0.00 0.00 55.73 53.73 3ice s ARG 102 Cb 0.00 -0.27 0.03 0.00 -2.04 0.00 0.00 34.95 32.67 3ice s ARG 102 CO -0.06 0.04 1.21 -2.14 -0.04 0.00 0.00 175.30 174.32 3ice s PRO 103 N -1.69 2.28 0.41 3.89 0.02 -1.26 -2.85 135.00 135.80 3ice s PRO 103 Ca -0.09 1.78 -0.24 0.00 0.02 0.00 0.00 61.00 62.47 3ice s PRO 103 Cb -0.09 -1.85 -0.08 0.00 0.02 0.00 0.00 34.50 32.50 3ice s PRO 103 CO 0.00 -1.73 1.13 -1.25 -0.33 0.00 0.00 177.00 174.82 3ice s PRO 104 N -3.81 4.02 0.91 5.54 0.04 -1.26 -4.87 135.00 135.58 3ice s PRO 104 Ca 0.75 1.73 -0.11 0.00 0.04 0.00 0.00 61.00 63.40 3ice s PRO 104 Cb -0.30 -2.58 0.14 0.00 0.04 0.00 0.00 34.50 31.80 3ice s PRO 104 CO 0.43 -0.32 1.09 0.15 0.04 0.00 0.00 177.00 178.40 3ice s LYS 105 N -2.44 1.13 0.39 4.56 -0.14 -1.26 -4.83 119.74 117.15 3ice s LYS 105 Ca 0.59 0.94 -0.26 0.00 -1.36 0.00 0.00 55.97 55.88 3ice s LYS 105 Cb -0.28 -1.79 -0.11 0.00 -1.68 0.00 0.00 37.83 33.98 3ice s LYS 105 CO 0.34 -2.36 1.17 -1.91 -0.76 0.00 0.00 175.35 171.84 3ice n GLU 106 N -3.98 1.74 -0.60 1.68 2.13 -1.26 -2.01 120.64 118.34 3ice n GLU 106 Ca 0.07 0.62 0.00 0.00 0.66 0.00 0.00 57.16 58.51 3ice n GLU 106 Cb 0.55 -2.21 0.00 0.00 0.27 0.00 0.00 31.44 30.04 3ice n GLU 106 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ice n GLY 107 N 0.95 0.76 3.69 8.31 0.00 -1.26 -5.06 105.19 112.59 3ice n GLY 107 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 3ice n GLY 107 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ice s GLU 108 N -0.40 2.93 0.01 1.61 2.02 -0.85 -5.03 118.70 118.99 3ice s GLU 108 Ca 0.00 -0.48 -0.15 0.00 0.02 0.00 0.00 54.97 54.36 3ice s GLU 108 Cb 0.00 -2.76 -0.35 0.00 0.10 0.00 0.00 34.13 31.12 3ice s GLU 108 CO 0.00 0.67 0.94 0.00 0.02 0.00 0.00 175.26 176.89 3ice h ARG 109 N 4.78 0.52 -4.82 1.61 3.08 -1.97 -3.46 114.38 114.11 3ice h ARG 109 Ca -0.50 -0.89 -0.31 0.00 0.07 0.00 0.00 59.98 58.35 3ice h ARG 109 Cb 1.19 0.33 -0.15 0.00 0.08 0.00 0.00 29.97 31.42 3ice h ARG 109 CO 0.56 1.42 -0.64 0.71 -1.07 0.00 0.00 179.97 180.96 3ice s TYR 110 N -2.59 1.37 0.67 3.04 2.02 -1.26 -5.02 117.35 115.58 3ice s TYR 110 Ca -0.10 -1.13 -0.11 0.00 -0.37 0.00 0.00 57.07 55.36 3ice s TYR 110 Cb 0.04 -0.78 -0.01 0.00 -0.40 0.00 0.00 41.96 40.81 3ice s TYR 110 CO 0.93 -0.31 1.05 -0.06 -1.57 0.00 0.00 175.55 175.59 3ice s PHE 111 N -3.75 3.24 -0.09 2.71 0.08 -1.26 -4.49 117.98 114.42 3ice s PHE 111 Ca 0.32 1.39 0.02 0.00 0.12 0.00 0.00 56.93 58.78 3ice s PHE 111 Cb 0.07 -2.84 0.01 0.00 -0.57 0.00 0.00 43.02 39.69 3ice s PHE 111 CO 0.09 -1.09 -0.13 0.00 -0.10 0.00 0.00 175.22 173.99 3ice s ALA 112 N -3.06 1.47 0.19 5.36 0.00 -1.13 -2.19 121.76 122.41 3ice s ALA 112 Ca 0.57 -0.57 -0.31 0.00 0.00 0.00 0.00 51.96 51.65 3ice s ALA 112 Cb -0.13 -0.71 -0.10 0.00 0.00 0.00 0.00 23.12 22.17 3ice s ALA 112 CO 0.54 0.00 1.55 -0.48 0.00 0.00 0.00 175.76 177.37 3ice s LEU 113 N 0.87 4.37 0.02 0.00 0.05 -1.18 -2.71 118.68 120.09 3ice s LEU 113 Ca -0.10 2.66 -0.21 0.00 0.05 0.00 0.00 54.13 56.53 3ice s LEU 113 Cb -0.15 -3.60 -0.18 0.00 -2.05 0.00 0.00 46.19 40.20 3ice s LEU 113 CO 0.01 -0.81 1.22 -0.07 -0.55 0.00 0.00 176.35 176.15 3ice h LEU 114 N 6.27 0.41 -7.45 1.48 -0.00 -0.64 -3.47 115.31 111.92 3ice h LEU 114 Ca -0.44 -0.61 -0.11 0.00 -0.00 0.00 0.00 57.88 56.72 3ice h LEU 114 Cb 1.21 -0.12 -0.20 0.00 -0.00 0.00 0.00 40.66 41.55 3ice h LEU 114 CO 0.88 0.95 -0.22 -0.75 -0.00 0.00 0.00 178.44 179.30 3ice s LYS 115 N -3.78 0.71 -0.18 1.13 2.20 -1.04 -5.00 119.74 113.78 3ice s LYS 115 Ca -0.14 -0.14 -0.17 0.00 -0.36 0.00 0.00 55.97 55.16 3ice s LYS 115 Cb 0.04 0.32 -0.04 0.00 -1.51 0.00 0.00 37.83 36.64 3ice s LYS 115 CO 0.77 -0.20 0.45 0.08 -0.36 0.00 0.00 175.35 176.09 3ice s VAL 116 N -1.31 5.17 -0.13 4.02 1.01 -1.26 -0.97 120.40 126.93 3ice s VAL 116 Ca -0.13 0.84 -0.10 0.00 0.00 0.00 0.00 61.98 62.58 3ice s VAL 116 Cb -0.05 -3.78 -0.25 0.00 0.00 0.00 0.00 36.38 32.30 3ice s VAL 116 CO 0.05 0.25 0.38 0.78 0.00 0.00 0.00 175.10 176.55 3ice h ASN 117 N 7.25 0.36 -2.82 3.32 2.35 -1.31 -3.48 115.58 121.25 3ice h ASN 117 Ca -0.36 -0.87 -0.23 0.00 -0.55 0.00 0.00 56.30 54.29 3ice h ASN 117 Cb 1.16 -0.12 -0.33 0.00 0.05 0.00 0.00 38.32 39.09 3ice h ASN 117 CO 0.73 1.77 -0.54 -0.70 -1.65 0.00 0.00 177.43 177.05 3ice s GLU 118 N -2.52 0.15 -0.21 0.81 2.12 -0.88 -4.69 118.70 113.47 3ice s GLU 118 Ca -0.23 0.69 -0.06 0.00 0.36 0.00 0.00 54.97 55.73 3ice s GLU 118 Cb 0.06 -0.16 -0.03 0.00 0.26 0.00 0.00 34.13 34.26 3ice s GLU 118 CO 0.75 -0.33 0.04 0.54 -0.54 0.00 0.00 175.26 175.72 3ice s VAL 119 N 2.41 4.36 -1.25 3.70 0.11 0.27 -1.03 120.40 128.96 3ice s VAL 119 Ca 0.02 -0.17 -0.01 0.00 -2.93 0.00 0.00 61.98 58.89 3ice s VAL 119 Cb -0.12 -2.99 0.00 0.00 -1.53 0.00 0.00 36.38 31.74 3ice s VAL 119 CO -0.09 0.41 0.93 0.59 -3.33 0.00 0.00 175.10 173.62 3ice n ASN 120 N 4.16 -2.19 -2.59 3.54 4.13 0.24 -1.51 115.26 121.04 3ice n ASN 120 Ca -0.17 -0.67 -0.19 0.00 1.68 0.00 0.00 54.58 55.23 3ice n ASN 120 Cb 0.52 -4.81 0.03 0.00 -1.54 0.00 0.00 39.78 33.98 3ice n ASN 120 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 3ice n PHE 121 N -4.25 -1.64 -3.87 3.10 0.99 -1.26 -4.96 117.46 105.58 3ice n PHE 121 Ca -0.26 0.42 -0.10 0.00 -0.00 0.00 0.00 57.45 57.51 3ice n PHE 121 Cb 0.66 -4.01 0.01 0.00 -1.00 0.00 0.00 39.48 35.13 3ice n PHE 121 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 3ice s ASP 122 N -2.70 0.18 0.28 4.37 -1.08 -0.57 -5.14 116.67 112.01 3ice s ASP 122 Ca 0.24 -1.20 0.02 0.00 -0.52 0.00 0.00 52.55 51.10 3ice s ASP 122 Cb -0.11 0.81 -0.03 0.00 -1.46 0.00 0.00 42.92 42.13 3ice s ASP 122 CO 0.30 -1.59 0.44 -0.54 0.52 0.00 0.00 175.17 174.29 3ice s LYS 123 N -2.54 3.47 0.27 4.34 -0.14 -1.26 0.93 119.74 124.82 3ice s LYS 123 Ca 0.18 -0.54 -0.01 0.00 -1.36 0.00 0.00 55.97 54.24 3ice s LYS 123 Cb -0.04 -2.80 0.37 0.00 -1.68 0.00 0.00 37.83 33.69 3ice s LYS 123 CO 0.13 0.32 1.80 -1.00 -0.76 0.00 0.00 175.35 175.84 3ice h PRO 124 N 1.13 0.81 -0.87 -1.68 0.13 -1.90 -2.45 132.00 127.16 3ice h PRO 124 Ca -0.51 -0.19 0.05 0.00 -0.87 0.00 0.00 66.00 64.49 3ice h PRO 124 Cb 1.22 -0.11 -0.06 0.00 0.13 0.00 0.00 31.00 32.18 3ice h PRO 124 CO 0.62 0.77 0.55 0.93 -0.23 0.00 0.00 178.00 180.64 3ice h GLU 125 N 0.77 1.00 -0.50 0.86 3.07 -1.98 -2.67 114.58 115.12 3ice h GLU 125 Ca 0.16 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.96 3ice h GLU 125 Cb 0.36 -0.23 -0.02 0.00 -0.84 0.00 0.00 28.75 28.02 3ice h GLU 125 CO 0.01 0.66 0.32 -0.91 -1.40 0.00 0.00 179.01 177.69 3ice h ASN 126 N 1.03 0.59 -0.35 1.42 4.21 -1.84 -2.24 115.58 118.39 3ice h ASN 126 Ca 0.37 -0.04 -0.24 0.00 1.21 0.00 0.00 56.30 57.60 3ice h ASN 126 Cb 0.10 -0.15 -0.09 0.00 -1.12 0.00 0.00 38.32 37.06 3ice h ASN 126 CO -0.15 0.45 0.11 0.00 -1.29 0.00 0.00 177.43 176.56 3ice n ALA 127 N -2.25 5.37 -0.09 -0.83 0.00 -1.01 -4.11 120.51 117.59 3ice n ALA 127 Ca 0.02 -1.52 -0.23 0.00 0.00 0.00 0.00 53.44 51.72 3ice n ALA 127 Cb 0.04 -1.64 -0.12 0.00 0.00 0.00 0.00 19.45 17.73 3ice n ALA 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ice n ARG 128 N 1.27 0.64 -0.61 0.00 1.74 -0.84 -4.78 116.66 114.08 3ice n ARG 128 Ca 0.28 0.32 0.03 0.00 -0.77 0.00 0.00 57.85 57.72 3ice n ARG 128 Cb 0.63 -1.63 0.04 0.00 -1.02 0.00 0.00 32.46 30.48 3ice n ARG 128 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3ice n ASN 129 N -3.86 0.72 -4.77 0.55 3.02 -1.26 -5.08 115.26 104.57 3ice n ASN 129 Ca -0.40 -2.31 -0.40 0.00 -0.03 0.00 0.00 54.58 51.43 3ice n ASN 129 Cb 0.90 -0.28 -0.02 0.00 -0.61 0.00 0.00 39.78 39.77 3ice n ASN 129 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3ice s LYS 130 N -0.72 4.30 0.10 3.52 2.20 -1.26 -4.92 119.74 122.96 3ice s LYS 130 Ca 0.14 2.06 -0.35 0.00 -0.36 0.00 0.00 55.97 57.46 3ice s LYS 130 Cb 0.14 -2.97 -0.15 0.00 -1.51 0.00 0.00 37.83 33.35 3ice s LYS 130 CO -0.03 -0.18 1.53 1.51 -0.36 0.00 0.00 175.35 177.82 3ice n ILE 131 N 0.64 0.05 -1.98 5.43 3.06 -1.26 -4.88 119.36 120.41 3ice n ILE 131 Ca 0.01 -0.01 -0.38 0.00 -2.50 0.00 0.00 62.75 59.87 3ice n ILE 131 Cb 0.43 -1.32 0.02 0.00 0.54 0.00 0.00 39.64 39.31 3ice n ILE 131 CO 0.00 0.00 0.00 -0.76 -2.50 0.00 0.00 176.55 173.29 3ice s LEU 132 N 1.10 3.95 0.25 9.51 2.01 -1.26 -4.78 118.68 129.46 3ice s LEU 132 Ca 0.82 2.59 -0.03 0.00 0.01 0.00 0.00 54.13 57.52 3ice s LEU 132 Cb -0.78 -4.22 0.46 0.00 0.01 0.00 0.00 46.19 41.66 3ice s LEU 132 CO 0.43 -1.25 1.76 0.15 1.01 0.00 0.00 176.35 178.45 3ice h PHE 133 N 1.81 0.69 -0.06 0.29 3.57 -1.91 0.21 116.94 121.53 3ice h PHE 133 Ca -0.50 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 60.99 3ice h PHE 133 Cb 1.27 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.82 3ice h PHE 133 CO 0.49 0.18 -0.14 0.93 -2.23 0.00 0.00 178.31 177.54 3ice h GLU 134 N 0.59 0.10 0.16 1.11 3.07 -1.99 -3.23 114.58 114.39 3ice h GLU 134 Ca 0.42 -0.02 -0.33 0.00 -0.50 0.00 0.00 59.36 58.93 3ice h GLU 134 Cb 0.56 -0.01 0.01 0.00 -0.84 0.00 0.00 28.75 28.46 3ice h GLU 134 CO -0.34 0.24 -1.61 -0.91 -1.40 0.00 0.00 179.01 174.99 3ice h ASN 135 N 0.09 0.55 -2.29 1.42 4.21 -1.33 -3.47 115.58 114.76 3ice h ASN 135 Ca 0.02 -0.75 -0.62 0.00 1.21 0.00 0.00 56.30 56.16 3ice h ASN 135 Cb 0.31 -0.18 0.09 0.00 -1.12 0.00 0.00 38.32 37.42 3ice h ASN 135 CO 0.02 1.62 0.35 0.00 -1.29 0.00 0.00 177.43 178.13 3ice n LEU 136 N -3.54 2.10 -4.70 1.61 -0.00 -0.84 -4.85 117.00 106.77 3ice n LEU 136 Ca -0.20 1.15 -0.42 0.00 -0.00 0.00 0.00 56.01 56.54 3ice n LEU 136 Cb 1.07 -1.30 -0.03 0.00 -0.00 0.00 0.00 43.42 43.16 3ice n LEU 136 CO 0.52 -1.05 1.18 0.42 -0.00 0.00 0.00 177.39 178.46 3ice s THR 137 N -0.33 3.17 0.32 1.47 -4.23 -1.26 -4.95 115.64 109.83 3ice s THR 137 Ca 0.69 0.74 -0.18 0.00 -1.18 0.00 0.00 61.69 61.76 3ice s THR 137 Cb -0.76 -3.48 -0.09 0.00 1.34 0.00 0.00 72.50 69.51 3ice s THR 137 CO 0.53 0.03 0.79 -2.84 -0.54 0.00 0.00 174.62 172.59 3ice s PRO 138 N 1.79 4.17 0.16 3.99 0.02 -1.26 -2.20 135.00 141.66 3ice s PRO 138 Ca 0.68 0.87 -0.07 0.00 0.02 0.00 0.00 61.00 62.50 3ice s PRO 138 Cb -0.38 -2.54 -0.02 0.00 0.02 0.00 0.00 34.50 31.58 3ice s PRO 138 CO 0.30 0.20 0.22 -0.51 -0.33 0.00 0.00 177.00 176.88 3ice s LEU 139 N -2.66 1.17 0.26 -5.54 1.43 0.57 -4.90 118.68 109.00 3ice s LEU 139 Ca 0.52 -0.97 -0.30 0.00 -1.03 0.00 0.00 54.13 52.35 3ice s LEU 139 Cb -0.12 0.95 -0.11 0.00 0.03 0.00 0.00 46.19 46.94 3ice s LEU 139 CO 0.18 -0.85 1.55 -1.00 0.23 0.00 0.00 176.35 176.46 3ice s HIS 140 N -3.99 2.88 -0.10 0.29 3.76 -1.26 -3.74 115.29 113.13 3ice s HIS 140 Ca 0.19 0.81 -0.39 0.00 -0.15 0.00 0.00 55.06 55.53 3ice s HIS 140 Cb 0.04 -3.98 -0.16 0.00 1.11 0.00 0.00 32.58 29.59 3ice s HIS 140 CO 0.01 -3.33 1.52 0.00 -0.85 0.00 0.00 174.74 172.09 3ice n ALA 141 N 2.53 -0.71 0.55 -1.40 0.00 -1.26 -4.86 120.51 115.35 3ice n ALA 141 Ca 0.09 0.46 0.07 0.00 0.00 0.00 0.00 53.44 54.06 3ice n ALA 141 Cb 0.38 -2.13 -0.09 0.00 0.00 0.00 0.00 19.45 17.61 3ice n ALA 141 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3ice n ASN 142 N 3.85 0.85 -4.70 0.00 5.15 -1.26 -4.53 115.26 114.61 3ice n ASN 142 Ca 0.22 -0.68 -0.33 0.00 -0.60 0.00 0.00 54.58 53.20 3ice n ASN 142 Cb 0.15 1.13 -0.08 0.00 -0.53 0.00 0.00 39.78 40.44 3ice n ASN 142 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3ice s SER 143 N -2.60 5.22 -0.18 1.20 1.04 -1.26 -4.90 113.70 112.23 3ice s SER 143 Ca 0.03 0.02 -0.08 0.00 0.48 0.00 0.00 55.95 56.40 3ice s SER 143 Cb 0.11 -1.39 -0.04 0.00 0.10 0.00 0.00 66.02 64.80 3ice s SER 143 CO 0.59 0.28 0.09 -0.60 0.98 0.00 0.00 173.24 174.57 3ice s ARG 144 N -1.60 3.95 -0.08 4.02 6.06 -1.26 -2.33 118.95 127.71 3ice s ARG 144 Ca 0.20 -0.29 -0.01 0.00 -2.50 0.00 0.00 55.73 53.14 3ice s ARG 144 Cb -0.12 -3.26 -0.03 0.00 0.06 0.00 0.00 34.95 31.61 3ice s ARG 144 CO 0.11 0.35 -0.03 -0.51 -2.50 0.00 0.00 175.30 172.72 3ice s LEU 145 N 0.18 3.37 0.00 -0.88 1.43 0.87 -4.87 118.68 118.78 3ice s LEU 145 Ca 0.06 0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.22 3ice s LEU 145 Cb -0.12 -1.75 0.01 0.00 0.03 0.00 0.00 46.19 44.36 3ice s LEU 145 CO -0.00 0.36 0.08 -1.14 0.23 0.00 0.00 176.35 175.88 3ice n ARG 146 N 2.24 1.26 -1.55 1.70 0.63 -1.26 -4.04 116.66 115.63 3ice n ARG 146 Ca -0.18 -1.86 0.00 0.00 -0.92 0.00 0.00 57.85 54.89 3ice n ARG 146 Cb 0.53 0.39 0.00 0.00 0.45 0.00 0.00 32.46 33.84 3ice n ARG 146 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 3ice n GLU 148 N -0.84 -2.91 -4.63 -0.14 0.28 -1.26 -4.82 120.64 106.33 3ice n GLU 148 Ca -0.07 2.14 -0.31 0.00 -0.16 0.00 0.00 57.16 58.76 3ice n GLU 148 Cb 0.33 -2.61 -0.08 0.00 1.43 0.00 0.00 31.44 30.51 3ice n GLU 148 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 3ice s ARG 149 N -2.64 2.16 -0.03 3.44 0.52 -1.26 -4.96 118.95 116.18 3ice s ARG 149 Ca 0.00 -2.29 0.08 0.00 -0.52 0.00 0.00 55.73 52.99 3ice s ARG 149 Cb 0.00 -1.62 -0.24 0.00 0.52 0.00 0.00 34.95 33.61 3ice s ARG 149 CO 0.00 -0.32 0.73 0.78 0.02 0.00 0.00 175.30 176.51 3ice h GLY 150 N 1.37 0.07 0.57 -3.53 0.00 -2.00 -3.38 103.07 96.17 3ice h GLY 150 Ca -0.43 -0.18 0.16 0.00 0.00 0.00 0.00 47.33 46.87 3ice h GLY 150 CO 0.74 0.16 0.54 3.45 0.00 0.00 0.00 176.54 181.43 3ice h ASN 151 N 0.02 0.47 -1.85 0.19 7.08 -2.01 -3.45 115.58 116.03 3ice h ASN 151 Ca -0.26 0.03 -0.23 0.00 -3.08 0.00 0.00 56.30 52.76 3ice h ASN 151 Cb 1.99 -0.06 -0.00 0.00 -2.08 0.00 0.00 38.32 38.16 3ice h ASN 151 CO 0.10 0.24 -0.30 0.61 -2.08 0.00 0.00 177.43 175.99 3ice n GLY 152 N -1.49 -0.08 1.35 9.14 0.00 -1.26 -5.03 105.19 107.82 3ice n GLY 152 Ca 0.16 -0.38 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 3ice n GLY 152 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3ice n SER 153 N -0.27 0.19 -0.25 1.61 7.64 -1.26 -4.86 113.62 116.41 3ice n SER 153 Ca -0.12 -1.25 -0.04 0.00 1.01 0.00 0.00 58.87 58.47 3ice n SER 153 Cb 0.60 -0.31 0.12 0.00 -1.01 0.00 0.00 64.21 63.60 3ice n SER 153 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 3ice h THR 154 N -0.99 1.25 -0.14 0.44 2.02 -2.00 -1.86 112.91 111.63 3ice h THR 154 Ca -0.14 -0.75 -0.06 0.00 0.77 0.00 0.00 66.41 66.23 3ice h THR 154 Cb 0.42 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 3ice h THR 154 CO 0.11 0.31 -0.20 1.05 0.37 0.00 0.00 175.52 177.16 3ice h GLU 155 N 1.09 0.23 0.00 6.66 9.09 -2.01 -2.02 114.58 127.62 3ice h GLU 155 Ca 0.26 -0.07 -0.07 0.00 0.05 0.00 0.00 59.36 59.53 3ice h GLU 155 Cb 0.17 -0.03 -0.01 0.00 -1.65 0.00 0.00 28.75 27.24 3ice h GLU 155 CO -0.03 0.43 -0.33 0.22 0.05 0.00 0.00 179.01 179.36 3ice h ASP 156 N 0.21 0.00 -0.59 3.06 3.58 -1.68 -2.81 116.42 118.18 3ice h ASP 156 Ca 0.04 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.47 3ice h ASP 156 Cb 0.49 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.51 3ice h ASP 156 CO 0.03 0.33 0.29 -0.07 -2.88 0.00 0.00 179.24 176.94 3ice h LEU 157 N 0.00 0.77 -0.08 2.28 3.38 -0.89 -0.51 115.31 120.25 3ice h LEU 157 Ca -0.00 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 3ice h LEU 157 Cb 0.58 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 3ice h LEU 157 CO 0.04 0.68 -0.00 0.74 0.09 0.00 0.00 178.44 179.99 3ice h THR 158 N 0.81 1.26 -0.62 0.22 2.02 -1.47 -0.25 112.91 114.88 3ice h THR 158 Ca 0.21 -0.82 -0.03 0.00 0.77 0.00 0.00 66.41 66.54 3ice h THR 158 Cb 0.11 1.64 -0.03 0.00 -1.74 0.00 0.00 68.15 68.13 3ice h THR 158 CO -0.03 0.23 0.28 0.00 0.37 0.00 0.00 175.52 176.37 3ice h ALA 159 N 0.72 1.33 -0.39 6.16 0.00 -1.51 -1.95 119.26 123.62 3ice h ALA 159 Ca 0.02 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 3ice h ALA 159 Cb 0.36 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3ice h ALA 159 CO 0.00 0.51 -0.19 0.00 0.00 0.00 0.00 179.25 179.58 3ice h ARG 160 N 0.88 0.82 -0.24 0.00 3.08 -0.92 -1.88 114.38 116.12 3ice h ARG 160 Ca 0.21 -0.36 -0.10 0.00 0.07 0.00 0.00 59.98 59.80 3ice h ARG 160 Cb 0.12 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 3ice h ARG 160 CO -0.03 0.99 -0.29 -0.24 -1.07 0.00 0.00 179.97 179.33 3ice h VAL 161 N 0.63 1.28 -0.08 2.04 3.04 -0.89 -2.22 116.25 120.05 3ice h VAL 161 Ca 0.09 -1.35 -0.00 0.00 -1.01 0.00 0.00 66.70 64.42 3ice h VAL 161 Cb 0.74 1.41 -0.00 0.00 -2.01 0.00 0.00 31.29 31.43 3ice h VAL 161 CO 0.06 0.43 0.04 0.25 -1.01 0.00 0.00 177.57 177.34 3ice h LEU 162 N 0.43 0.10 -1.03 3.16 5.85 -1.23 -0.94 115.31 121.64 3ice h LEU 162 Ca 0.06 -0.10 0.10 0.00 0.84 0.00 0.00 57.88 58.78 3ice h LEU 162 Cb 0.73 -0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.66 3ice h LEU 162 CO 0.06 0.17 0.63 0.44 -0.34 0.00 0.00 178.44 179.40 3ice h ASP 163 N 0.03 0.95 -0.05 1.25 3.32 -1.06 0.13 116.42 120.98 3ice h ASP 163 Ca 0.03 0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.02 3ice h ASP 163 Cb 0.09 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.48 3ice h ASP 163 CO -0.00 0.54 -0.33 -0.07 -1.72 0.00 0.00 179.24 177.66 3ice h LEU 164 N 1.04 0.38 -0.02 1.55 3.38 -1.20 -3.28 115.31 117.16 3ice h LEU 164 Ca 0.47 -0.67 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 3ice h LEU 164 Cb 0.38 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 3ice h LEU 164 CO -0.23 0.99 -0.00 0.00 0.09 0.00 0.00 178.44 179.30 3ice h ALA 165 N 0.39 0.02 -3.33 1.53 0.00 -0.93 -3.43 119.26 113.52 3ice h ALA 165 Ca -0.03 -0.17 -0.42 0.00 0.00 0.00 0.00 54.91 54.29 3ice h ALA 165 Cb 1.00 -0.01 -0.37 0.00 0.00 0.00 0.00 17.79 18.41 3ice h ALA 165 CO 0.07 -0.30 -0.76 -1.54 0.00 0.00 0.00 179.25 176.71 3ice s SER 166 N -5.57 1.30 0.75 0.00 1.04 0.43 -3.94 113.70 107.70 3ice s SER 166 Ca -0.15 -0.08 -0.13 0.00 0.48 0.00 0.00 55.95 56.08 3ice s SER 166 Cb 0.03 -0.40 0.05 0.00 0.10 0.00 0.00 66.02 65.80 3ice s SER 166 CO 0.68 -0.16 1.13 -2.84 0.98 0.00 0.00 173.24 173.02 3ice s PRO 167 N 1.66 2.25 -0.04 4.02 0.02 -1.24 -3.96 135.00 137.71 3ice s PRO 167 Ca 0.00 1.40 0.04 0.00 0.02 0.00 0.00 61.00 62.46 3ice s PRO 167 Cb -0.13 -1.88 -0.00 0.00 0.02 0.00 0.00 34.50 32.51 3ice s PRO 167 CO -0.04 -1.68 -0.15 0.42 -0.33 0.00 0.00 177.00 175.22 3ice s ILE 168 N -2.51 1.26 0.21 2.83 -1.09 -1.26 -4.91 121.20 115.74 3ice s ILE 168 Ca 0.66 -0.62 -0.00 0.00 -2.23 0.00 0.00 60.65 58.46 3ice s ILE 168 Cb -0.21 -1.10 -0.04 0.00 -1.58 0.00 0.00 42.46 39.53 3ice s ILE 168 CO 0.49 0.37 0.13 -0.83 -1.23 0.00 0.00 174.94 173.87 3ice s GLY 169 N 0.12 1.51 0.23 6.18 0.00 -1.26 -0.09 107.32 114.02 3ice s GLY 169 Ca -0.04 -1.74 -0.30 0.00 0.00 0.00 0.00 44.72 42.64 3ice s GLY 169 CO 0.02 -1.44 1.21 0.50 0.00 0.00 0.00 173.10 173.39 3ice s ARG 170 N -4.12 4.49 0.00 2.90 0.52 -0.98 -1.87 118.95 119.88 3ice s ARG 170 Ca 0.39 1.94 0.00 0.00 -0.52 0.00 0.00 55.73 57.53 3ice s ARG 170 Cb 0.07 -3.19 0.00 0.00 0.52 0.00 0.00 34.95 32.35 3ice s ARG 170 CO 0.13 -0.05 0.00 0.41 0.02 0.00 0.00 175.30 175.81 3ice n GLY 171 N 1.73 0.80 3.73 -3.53 0.00 -1.26 -4.50 105.19 102.18 3ice n GLY 171 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3ice n GLY 171 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3ice n GLN 172 N -2.23 2.55 -2.93 1.61 -0.06 -0.78 -3.62 117.38 111.92 3ice n GLN 172 Ca 0.00 0.91 -0.30 0.00 -2.00 0.00 0.00 57.00 55.60 3ice n GLN 172 Cb 0.00 -2.65 -0.03 0.00 -4.06 0.00 0.00 30.24 23.50 3ice n GLN 172 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 3ice n ARG 173 N 1.88 3.66 -3.20 3.69 1.74 -1.26 -2.00 116.66 121.17 3ice n ARG 173 Ca 0.08 -4.80 -0.39 0.00 -0.77 0.00 0.00 57.85 51.97 3ice n ARG 173 Cb 0.36 -2.30 -0.06 0.00 -1.02 0.00 0.00 32.46 29.44 3ice n ARG 173 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3ice s GLY 174 N -2.91 2.72 -0.10 -0.13 0.00 -1.19 -0.29 107.32 105.41 3ice s GLY 174 Ca 0.46 0.10 0.03 0.00 0.00 0.00 0.00 44.72 45.30 3ice s GLY 174 CO -0.12 0.59 -0.19 -2.27 0.00 0.00 0.00 173.10 171.11 3ice s LEU 175 N -0.98 2.38 -0.27 0.66 2.96 -1.26 -3.35 118.68 118.81 3ice s LEU 175 Ca 0.31 -0.44 -0.12 0.00 -0.22 0.00 0.00 54.13 53.66 3ice s LEU 175 Cb -0.20 -1.50 -0.05 0.00 0.50 0.00 0.00 46.19 44.95 3ice s LEU 175 CO 0.20 0.18 0.24 -0.63 -1.32 0.00 0.00 176.35 175.03 3ice s ILE 176 N 0.22 5.27 -0.07 6.68 1.09 0.57 -2.80 121.20 132.17 3ice s ILE 176 Ca -0.12 0.29 0.04 0.00 -1.10 0.00 0.00 60.65 59.76 3ice s ILE 176 Cb -0.16 -3.58 -0.02 0.00 -1.06 0.00 0.00 42.46 37.64 3ice s ILE 176 CO 0.07 0.23 -0.19 -0.69 -0.10 0.00 0.00 174.94 174.26 3ice s VAL 177 N 1.80 2.63 -0.15 2.92 1.01 -0.33 0.13 120.40 128.39 3ice s VAL 177 Ca 0.09 -0.86 -0.32 0.00 0.00 0.00 0.00 61.98 60.89 3ice s VAL 177 Cb -0.16 -2.01 0.13 0.00 0.00 0.00 0.00 36.38 34.34 3ice s VAL 177 CO 0.10 0.57 1.12 0.00 0.00 0.00 0.00 175.10 176.89 3ice s ALA 178 N -0.32 -2.00 0.90 5.51 0.00 -0.72 -1.59 121.76 123.54 3ice s ALA 178 Ca 0.02 1.50 -0.12 0.00 0.00 0.00 0.00 51.96 53.36 3ice s ALA 178 Cb -0.13 -0.26 0.13 0.00 0.00 0.00 0.00 23.12 22.87 3ice s ALA 178 CO 0.02 -0.53 1.11 -2.14 0.00 0.00 0.00 175.76 174.23 3ice s PRO 179 N -2.19 1.21 0.42 0.00 0.02 -1.26 -3.25 135.00 129.95 3ice s PRO 179 Ca 0.06 0.53 -0.26 0.00 0.02 0.00 0.00 61.00 61.35 3ice s PRO 179 Cb -0.01 -1.83 -0.10 0.00 0.02 0.00 0.00 34.50 32.59 3ice s PRO 179 CO -0.05 -2.20 1.32 -2.30 -0.33 0.00 0.00 177.00 173.44 3ice n PRO 180 N -3.81 2.06 -3.53 5.54 -0.02 -1.26 -2.68 135.00 131.30 3ice n PRO 180 Ca 0.06 0.73 -0.24 0.00 -2.02 0.00 0.00 63.50 62.04 3ice n PRO 180 Cb 0.57 -2.44 0.07 0.00 -0.02 0.00 0.00 33.50 31.68 3ice n PRO 180 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3ice n LYS 181 N 0.07 -7.63 -0.23 -0.52 5.02 -1.26 -4.91 118.16 108.70 3ice n LYS 181 Ca 0.06 0.84 0.06 0.00 -2.02 0.00 0.00 58.31 57.25 3ice n LYS 181 Cb 0.40 -5.87 0.18 0.00 -0.02 0.00 0.00 35.03 29.71 3ice n LYS 181 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ice n ALA 182 N -4.84 2.30 -1.85 7.82 0.00 -1.09 -4.88 120.51 117.96 3ice n ALA 182 Ca -0.00 -1.29 -0.06 0.00 0.00 0.00 0.00 53.44 52.08 3ice n ALA 182 Cb 0.57 -0.50 -0.01 0.00 0.00 0.00 0.00 19.45 19.50 3ice n ALA 182 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ice n GLY 183 N 0.48 0.33 0.00 0.00 0.00 -1.26 -4.67 105.19 100.06 3ice n GLY 183 Ca 0.14 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.49 3ice n GLY 183 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3ice n LYS 184 N -1.95 0.00 0.00 1.61 4.81 -1.26 -2.50 118.16 118.87 3ice n LYS 184 Ca -0.07 0.49 0.00 0.00 -0.87 0.00 0.00 58.31 57.86 3ice n LYS 184 Cb 0.46 -1.19 0.00 0.00 0.02 0.00 0.00 35.03 34.32 3ice n LYS 184 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 3ice n THR 185 N -1.97 0.00 0.00 3.15 -1.04 -1.26 -3.01 114.28 110.15 3ice n THR 185 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3ice n THR 185 Cb 0.00 -0.35 0.00 0.00 -1.82 0.00 0.00 70.33 68.16 3ice n THR 185 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3ice n LEU 187 N 0.89 0.00 -0.22 -4.42 7.94 -1.04 -3.33 117.00 116.82 3ice n LEU 187 Ca 0.00 0.00 -0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3ice n LEU 187 Cb 0.00 0.00 0.07 0.00 0.53 0.00 0.00 43.42 44.02 3ice n LEU 187 CO 0.00 0.00 0.75 0.25 -1.11 0.00 0.00 177.39 177.28 3ice h LEU 188 N 0.00 -0.56 -0.97 -1.96 5.85 -1.83 0.56 115.31 116.40 3ice h LEU 188 Ca 0.00 0.19 0.08 0.00 0.84 0.00 0.00 57.88 58.99 3ice h LEU 188 Cb 0.00 0.39 -0.07 0.00 0.37 0.00 0.00 40.66 41.34 3ice h LEU 188 CO 0.00 -0.20 0.61 1.56 -0.34 0.00 0.00 178.44 180.07 3ice h GLN 189 N 0.01 1.03 -0.28 1.25 4.20 -1.88 0.50 115.11 119.94 3ice h GLN 189 Ca 0.31 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.96 3ice h GLN 189 Cb 0.48 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 3ice h GLN 189 CO -0.65 0.68 0.16 -0.97 -0.67 0.00 0.00 178.83 177.39 3ice h ASN 190 N 1.06 0.34 -0.29 1.46 -0.73 -0.36 -1.18 115.58 115.88 3ice h ASN 190 Ca 0.44 -0.06 0.03 0.00 1.87 0.00 0.00 56.30 58.57 3ice h ASN 190 Cb 0.27 -0.09 -0.03 0.00 0.27 0.00 0.00 38.32 38.74 3ice h ASN 190 CO -0.20 0.30 0.11 0.40 -0.37 0.00 0.00 177.43 177.67 3ice h ILE 191 N 0.35 0.94 -0.23 2.57 2.04 0.36 -1.18 117.51 122.35 3ice h ILE 191 Ca 0.10 -0.08 0.03 0.00 1.00 0.00 0.00 64.86 65.91 3ice h ILE 191 Cb 0.03 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 3ice h ILE 191 CO -0.02 0.04 0.03 0.00 0.00 0.00 0.00 178.15 178.20 3ice h ALA 192 N 1.17 0.22 -0.41 1.87 0.00 -0.77 -0.51 119.26 120.84 3ice h ALA 192 Ca 0.13 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.11 3ice h ALA 192 Cb 0.08 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3ice h ALA 192 CO -0.12 -0.40 0.23 0.37 0.00 0.00 0.00 179.25 179.34 3ice h GLN 193 N 0.11 0.46 -0.70 0.00 4.15 -0.89 -1.96 115.11 116.28 3ice h GLN 193 Ca 0.11 -0.03 -0.07 0.00 0.77 0.00 0.00 58.65 59.43 3ice h GLN 193 Cb 0.12 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.68 3ice h GLN 193 CO -0.16 0.30 0.17 1.03 -1.93 0.00 0.00 178.83 178.24 3ice h SER 194 N 0.47 1.07 -0.86 -0.69 0.87 -0.93 -2.69 113.55 110.80 3ice h SER 194 Ca 0.16 -0.24 -0.03 0.00 -1.23 0.00 0.00 61.79 60.46 3ice h SER 194 Cb 0.02 -0.28 -0.04 0.00 -0.44 0.00 0.00 62.40 61.66 3ice h SER 194 CO -0.08 1.03 0.41 0.40 -0.53 0.00 0.00 176.83 178.06 3ice h ILE 195 N 1.06 1.26 0.00 2.23 2.04 -0.72 -1.46 117.51 121.93 3ice h ILE 195 Ca 0.22 -0.73 -0.06 0.00 1.00 0.00 0.00 64.86 65.30 3ice h ILE 195 Cb 0.38 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 3ice h ILE 195 CO 0.00 0.31 -0.27 0.00 0.00 0.00 0.00 178.15 178.20 3ice h ALA 196 N 1.23 1.25 0.06 1.87 0.00 -1.16 0.16 119.26 122.66 3ice h ALA 196 Ca 0.29 -0.24 -0.27 0.00 0.00 0.00 0.00 54.91 54.69 3ice h ALA 196 Cb 0.11 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3ice h ALA 196 CO -0.04 0.34 -1.40 -0.92 0.00 0.00 0.00 179.25 177.23 3ice h TYR 197 N 0.00 0.23 0.00 0.00 3.20 -1.05 -3.37 116.97 115.98 3ice h TYR 197 Ca -0.00 -0.17 -0.04 0.00 3.14 0.00 0.00 58.73 61.66 3ice h TYR 197 Cb 0.59 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.85 3ice h TYR 197 CO 0.00 1.19 -1.90 0.09 -1.64 0.00 0.00 178.16 175.90 3ice n ASN 198 N -3.35 0.70 -3.53 -2.11 3.02 -0.62 -4.79 115.26 104.59 3ice n ASN 198 Ca -0.11 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.15 3ice n ASN 198 Cb 1.01 1.74 -0.12 0.00 -0.61 0.00 0.00 39.78 41.81 3ice n ASN 198 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3ice s HIS 199 N -3.20 1.38 0.16 3.10 3.76 0.55 -4.95 115.29 116.09 3ice s HIS 199 Ca -0.07 -2.21 0.13 0.00 -0.15 0.00 0.00 55.06 52.76 3ice s HIS 199 Cb 0.11 -1.29 0.29 0.00 1.11 0.00 0.00 32.58 32.81 3ice s HIS 199 CO 0.77 -0.79 1.56 -1.00 -0.85 0.00 0.00 174.74 174.43 3ice h PRO 200 N 6.31 0.00 0.00 8.40 0.13 -1.74 -3.27 132.00 141.82 3ice h PRO 200 Ca 0.13 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.18 3ice h PRO 200 Cb 0.92 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.04 3ice h PRO 200 CO 0.39 0.62 -0.37 0.38 -0.23 0.00 0.00 178.00 178.78 3ice h ASP 201 N 0.00 0.00 -3.48 1.44 2.03 -1.93 -3.44 116.42 111.04 3ice h ASP 201 Ca -0.01 0.00 -0.52 0.00 -0.73 0.00 0.00 57.03 55.77 3ice h ASP 201 Cb 1.22 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.72 3ice h ASP 201 CO 0.08 0.37 0.51 0.00 -1.03 0.00 0.00 179.24 179.17 3ice s VAL 203 N 0.03 3.59 0.37 0.00 1.01 0.05 -4.89 120.40 120.56 3ice s VAL 203 Ca 0.52 1.10 0.08 0.00 0.00 0.00 0.00 61.98 63.67 3ice s VAL 203 Cb -0.30 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.35 3ice s VAL 203 CO 0.34 0.06 0.32 -0.22 0.00 0.00 0.00 175.10 175.60 3ice s LEU 204 N 1.51 3.50 -0.30 3.92 2.96 -1.26 -1.09 118.68 127.92 3ice s LEU 204 Ca 0.63 -0.61 -0.17 0.00 -0.22 0.00 0.00 54.13 53.76 3ice s LEU 204 Cb -0.34 -2.13 0.20 0.00 0.50 0.00 0.00 46.19 44.43 3ice s LEU 204 CO 0.29 -0.48 1.25 -0.69 -1.32 0.00 0.00 176.35 175.40 3ice s VAL 206 N -2.38 -0.04 -0.03 1.68 1.01 0.46 -3.50 120.40 117.61 3ice s VAL 206 Ca 0.44 0.00 0.05 0.00 0.00 0.00 0.00 61.98 62.46 3ice s VAL 206 Cb -0.05 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.33 3ice s VAL 206 CO 0.27 0.00 -0.16 -0.22 0.00 0.00 0.00 175.10 174.99 3ice s LEU 207 N 1.44 1.95 -0.12 3.92 2.96 -1.08 0.11 118.68 127.87 3ice s LEU 207 Ca -0.05 -0.32 0.03 0.00 -0.22 0.00 0.00 54.13 53.57 3ice s LEU 207 Cb -0.02 -0.89 0.00 0.00 0.50 0.00 0.00 46.19 45.78 3ice s LEU 207 CO -0.12 0.17 -0.23 -0.76 -1.32 0.00 0.00 176.35 174.08 3ice s LEU 208 N -0.13 2.10 -0.13 -0.68 1.43 -1.00 -3.43 118.68 116.83 3ice s LEU 208 Ca 0.01 -0.58 0.01 0.00 -1.03 0.00 0.00 54.13 52.54 3ice s LEU 208 Cb -0.09 -1.42 0.02 0.00 0.03 0.00 0.00 46.19 44.72 3ice s LEU 208 CO 0.01 0.12 -0.16 -0.63 0.23 0.00 0.00 176.35 175.92 3ice s ILE 209 N 0.56 1.60 0.00 -0.59 1.09 -1.24 -0.27 121.20 122.35 3ice s ILE 209 Ca -0.14 -0.68 0.00 0.00 -1.10 0.00 0.00 60.65 58.73 3ice s ILE 209 Cb -0.17 -1.47 0.00 0.00 -1.06 0.00 0.00 42.46 39.76 3ice s ILE 209 CO 0.04 0.46 0.00 -0.67 -0.10 0.00 0.00 174.94 174.67 3ice n ASP 210 N 4.42 0.00 -4.63 3.58 2.03 -0.35 -4.50 116.55 117.10 3ice n ASP 210 Ca -0.18 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 54.89 3ice n ASP 210 Cb 0.51 -0.20 0.12 0.00 -0.72 0.00 0.00 41.12 40.83 3ice n ASP 210 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3ice s GLU 211 N -0.04 1.55 0.48 -0.67 0.41 -1.26 -3.64 118.70 115.53 3ice s GLU 211 Ca 0.00 -1.15 -0.24 0.00 -0.41 0.00 0.00 54.97 53.16 3ice s GLU 211 Cb 0.00 -2.31 -0.07 0.00 -1.78 0.00 0.00 34.13 29.97 3ice s GLU 211 CO 0.00 -1.55 1.41 2.89 -0.49 0.00 0.00 175.26 177.52 3ice n ARG 212 N -2.90 2.09 -0.03 1.61 1.85 -1.26 -0.71 116.66 117.31 3ice n ARG 212 Ca 0.16 0.75 -0.15 0.00 -1.00 0.00 0.00 57.85 57.61 3ice n ARG 212 Cb 0.61 -2.62 -0.10 0.00 -1.05 0.00 0.00 32.46 29.29 3ice n ARG 212 CO 0.00 0.00 0.00 -1.35 -0.01 0.00 0.00 177.63 176.27 3ice h PRO 213 N 2.03 0.23 -1.00 2.89 0.11 -1.96 -3.22 132.00 131.09 3ice h PRO 213 Ca -0.51 -0.20 0.23 0.00 0.11 0.00 0.00 66.00 65.63 3ice h PRO 213 Cb 1.28 0.05 -0.10 0.00 0.11 0.00 0.00 31.00 32.34 3ice h PRO 213 CO 0.60 0.87 0.63 0.93 -0.21 0.00 0.00 178.00 180.82 3ice h GLU 214 N -0.34 0.50 -0.68 1.05 3.07 -2.01 0.42 114.58 116.60 3ice h GLU 214 Ca -0.02 -0.03 0.08 0.00 -0.50 0.00 0.00 59.36 58.89 3ice h GLU 214 Cb 0.93 -0.11 -0.04 0.00 -0.84 0.00 0.00 28.75 28.68 3ice h GLU 214 CO 0.05 0.33 0.45 0.93 -1.40 0.00 0.00 179.01 179.37 3ice h GLU 215 N 0.52 0.59 -0.28 2.33 5.08 -1.95 -1.48 114.58 119.39 3ice h GLU 215 Ca 0.57 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.82 3ice h GLU 215 Cb 1.25 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 3ice h GLU 215 CO -0.32 0.39 -0.12 -0.24 -1.00 0.00 0.00 179.01 177.73 3ice h VAL 216 N 0.61 1.29 -0.49 3.13 3.04 -0.24 -2.94 116.25 120.64 3ice h VAL 216 Ca 0.30 -1.19 0.01 0.00 -1.01 0.00 0.00 66.70 64.81 3ice h VAL 216 Cb 0.39 1.49 -0.03 0.00 -2.01 0.00 0.00 31.29 31.13 3ice h VAL 216 CO -0.10 0.38 0.32 0.74 -1.01 0.00 0.00 177.57 177.90 3ice h THR 217 N 0.31 1.12 0.00 3.17 2.02 -1.30 -0.20 112.91 118.02 3ice h THR 217 Ca 0.06 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.02 3ice h THR 217 Cb 0.62 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 3ice h THR 217 CO 0.04 0.12 0.00 1.21 0.37 0.00 0.00 175.52 177.26 3ice n GLU 218 N -4.75 0.00 0.00 6.66 0.00 -0.60 -1.84 120.64 120.11 3ice n GLU 218 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.18 3ice n GLU 218 Cb 0.03 -0.95 0.00 0.00 0.00 0.00 0.00 31.44 30.52 3ice n GLU 218 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 3ice n GLN 220 N 0.45 0.00 -0.13 5.31 6.02 -0.09 -3.07 117.38 125.87 3ice n GLN 220 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 57.02 3ice n GLN 220 Cb 0.00 0.00 0.33 0.00 1.02 0.00 0.00 30.24 31.59 3ice n GLN 220 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3ice h ARG 221 N 0.00 0.79 -2.20 -1.09 2.47 -1.63 -3.34 114.38 109.38 3ice h ARG 221 Ca 0.00 -0.05 -0.59 0.00 -1.26 0.00 0.00 59.98 58.09 3ice h ARG 221 Cb 0.00 -0.18 -0.41 0.00 -1.65 0.00 0.00 29.97 27.73 3ice h ARG 221 CO 0.00 0.52 -0.80 1.47 0.56 0.00 0.00 179.97 181.72 3ice n LEU 222 N -4.45 2.15 -3.53 3.04 -0.00 -1.17 -5.07 117.00 107.96 3ice n LEU 222 Ca 0.07 -5.09 -0.12 0.00 -0.00 0.00 0.00 56.01 50.86 3ice n LEU 222 Cb 0.07 -0.12 -0.04 0.00 -0.00 0.00 0.00 43.42 43.33 3ice n LEU 222 CO 0.36 2.03 0.30 -0.69 -0.00 0.00 0.00 177.39 179.38 3ice s VAL 223 N -1.78 0.03 0.33 1.47 1.01 -1.26 -4.92 120.40 115.28 3ice s VAL 223 Ca 0.37 -0.23 0.10 0.00 0.00 0.00 0.00 61.98 62.22 3ice s VAL 223 Cb 0.14 -1.04 0.32 0.00 0.00 0.00 0.00 36.38 35.80 3ice s VAL 223 CO -0.07 -0.13 1.76 0.50 0.00 0.00 0.00 175.10 177.16 3ice h LYS 224 N 2.36 0.60 0.00 2.72 3.64 -1.94 -3.46 116.57 120.49 3ice h LYS 224 Ca -0.33 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 3ice h LYS 224 Cb 1.26 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 3ice h LYS 224 CO 0.41 0.39 0.00 0.41 -2.27 0.00 0.00 179.45 178.40 3ice n GLY 225 N -1.35 -0.59 3.56 5.01 0.00 -1.26 -5.08 105.19 105.48 3ice n GLY 225 Ca 0.25 0.35 -0.30 0.00 0.00 0.00 0.00 46.02 46.32 3ice n GLY 225 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ice s GLU 226 N 0.00 2.49 -0.10 1.61 2.56 -1.23 -4.90 118.70 119.12 3ice s GLU 226 Ca 0.00 0.13 0.02 0.00 0.00 0.00 0.00 54.97 55.12 3ice s GLU 226 Cb 0.00 -4.81 0.01 0.00 2.00 0.00 0.00 34.13 31.34 3ice s GLU 226 CO 0.00 -3.25 -0.16 0.08 -0.56 0.00 0.00 175.26 171.37 3ice s VAL 227 N 10.21 1.53 0.12 3.70 1.01 -1.26 -0.40 120.40 135.31 3ice s VAL 227 Ca 0.72 -0.68 0.05 0.00 0.00 0.00 0.00 61.98 62.07 3ice s VAL 227 Cb -0.09 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 3ice s VAL 227 CO 0.08 0.45 -0.12 -0.69 0.00 0.00 0.00 175.10 174.81 3ice s VAL 228 N 0.83 1.19 -0.20 2.92 1.01 0.31 -4.93 120.40 121.53 3ice s VAL 228 Ca -0.10 -1.72 -0.29 0.00 0.00 0.00 0.00 61.98 59.87 3ice s VAL 228 Cb -0.16 -1.50 0.14 0.00 0.00 0.00 0.00 36.38 34.86 3ice s VAL 228 CO 0.01 -0.49 1.07 0.00 0.00 0.00 0.00 175.10 175.69 3ice s ALA 229 N -2.34 -1.98 -0.33 5.51 0.00 -1.26 -2.38 121.76 118.98 3ice s ALA 229 Ca 0.08 1.67 0.03 0.00 0.00 0.00 0.00 51.96 53.74 3ice s ALA 229 Cb -0.04 -0.96 0.09 0.00 0.00 0.00 0.00 23.12 22.21 3ice s ALA 229 CO 0.02 -0.28 0.03 -1.12 0.00 0.00 0.00 175.76 174.41 3ice s SER 230 N -0.88 4.76 0.93 0.00 0.01 0.63 -4.90 113.70 114.25 3ice s SER 230 Ca 0.01 -1.93 -0.12 0.00 1.31 0.00 0.00 55.95 55.22 3ice s SER 230 Cb -0.01 -1.64 0.06 0.00 0.21 0.00 0.00 66.02 64.64 3ice s SER 230 CO -0.01 -0.35 0.63 0.35 0.41 0.00 0.00 173.24 174.27 3ice n THR 231 N 4.35 0.16 0.30 1.44 -2.24 -1.26 -1.22 114.28 115.80 3ice n THR 231 Ca -0.02 -0.15 0.19 0.00 -2.27 0.00 0.00 64.05 61.80 3ice n THR 231 Cb 0.42 -0.74 0.95 0.00 -2.10 0.00 0.00 70.33 68.85 3ice n THR 231 CO 0.00 0.00 0.00 2.19 -0.57 0.00 0.00 175.07 176.69 3ice h PHE 232 N -1.58 0.00 0.00 4.78 -5.15 -0.98 -1.07 116.94 112.94 3ice h PHE 232 Ca -0.43 0.00 -0.10 0.00 -0.20 0.00 0.00 57.97 57.24 3ice h PHE 232 Cb 1.28 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.44 3ice h PHE 232 CO 0.42 0.00 -0.46 0.22 -2.00 0.00 0.00 178.31 176.49 3ice h ASP 233 N 0.00 0.00 -4.01 -0.68 1.82 -1.86 -3.45 116.42 108.24 3ice h ASP 233 Ca 0.00 0.00 -0.56 0.00 -0.39 0.00 0.00 57.03 56.08 3ice h ASP 233 Cb 0.13 0.00 0.17 0.00 0.68 0.00 0.00 39.33 40.30 3ice h ASP 233 CO 0.00 0.46 0.36 -0.62 -1.61 0.00 0.00 179.24 177.83 3ice n GLU 234 N -3.73 0.78 -2.46 0.28 -0.58 -0.40 -4.98 120.64 109.54 3ice n GLU 234 Ca -0.01 0.33 -0.41 0.00 -0.42 0.00 0.00 57.16 56.65 3ice n GLU 234 Cb 0.52 -2.42 -0.04 0.00 -0.57 0.00 0.00 31.44 28.94 3ice n GLU 234 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 3ice s PRO 235 N -3.46 4.53 0.50 3.49 0.02 -1.26 -4.93 135.00 133.89 3ice s PRO 235 Ca 0.79 1.76 0.41 0.00 0.02 0.00 0.00 61.00 63.98 3ice s PRO 235 Cb -0.36 -3.29 1.62 0.00 0.02 0.00 0.00 34.50 32.49 3ice s PRO 235 CO 0.45 -0.05 1.58 0.00 -0.33 0.00 0.00 177.00 178.65 3ice h ALA 236 N 5.64 3.35 -0.09 -1.55 0.00 -1.93 0.18 119.26 124.85 3ice h ALA 236 Ca -0.44 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.52 3ice h ALA 236 Cb 1.21 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 3ice h ALA 236 CO 0.75 -1.97 -0.03 0.77 0.00 0.00 0.00 179.25 178.77 3ice h SER 237 N 0.01 -0.11 -0.62 0.00 0.02 -1.91 -2.84 113.55 108.10 3ice h SER 237 Ca 0.90 0.03 0.06 0.00 -0.84 0.00 0.00 61.79 61.94 3ice h SER 237 Cb 3.28 0.07 -0.05 0.00 0.14 0.00 0.00 62.40 65.84 3ice h SER 237 CO -0.23 -0.04 0.34 -0.09 -1.14 0.00 0.00 176.83 175.66 3ice h ARG 238 N -0.02 0.61 -0.33 3.45 9.65 -1.03 -2.82 114.38 123.90 3ice h ARG 238 Ca 0.05 -0.04 0.06 0.00 -1.10 0.00 0.00 59.98 58.95 3ice h ARG 238 Cb 0.08 -0.14 -0.05 0.00 -1.39 0.00 0.00 29.97 28.47 3ice h ARG 238 CO -0.10 0.40 -0.02 0.45 2.80 0.00 0.00 179.97 183.50 3ice h HIS 239 N 0.63 -0.06 -0.49 2.20 3.86 -1.54 -0.68 115.15 119.07 3ice h HIS 239 Ca 0.28 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.49 3ice h HIS 239 Cb 0.17 0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.70 3ice h HIS 239 CO -0.09 -0.08 0.21 -0.24 0.86 0.00 0.00 177.93 178.59 3ice h VAL 240 N 0.07 1.20 -0.04 2.45 3.04 -1.45 -0.01 116.25 121.51 3ice h VAL 240 Ca 0.16 -0.62 0.03 0.00 -1.01 0.00 0.00 66.70 65.26 3ice h VAL 240 Cb 0.22 0.70 -0.04 0.00 -2.01 0.00 0.00 31.29 30.15 3ice h VAL 240 CO -0.28 0.24 -0.22 1.56 -1.01 0.00 0.00 177.57 177.86 3ice h GLN 241 N 0.65 -0.31 0.05 4.17 4.20 -1.14 0.24 115.11 122.97 3ice h GLN 241 Ca 0.17 0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.91 3ice h GLN 241 Cb 0.17 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 3ice h GLN 241 CO -0.02 -0.21 -0.11 0.28 -0.67 0.00 0.00 178.83 178.11 3ice h VAL 242 N -0.32 0.73 0.14 -0.54 2.07 -0.98 -3.10 116.25 114.26 3ice h VAL 242 Ca 0.07 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.61 3ice h VAL 242 Cb 0.42 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 3ice h VAL 242 CO -0.22 0.00 -0.40 0.00 0.02 0.00 0.00 177.57 176.97 3ice h ALA 243 N 0.71 -0.71 0.00 1.67 0.00 -0.69 -1.09 119.26 119.14 3ice h ALA 243 Ca 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3ice h ALA 243 Cb 0.24 0.66 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3ice h ALA 243 CO -0.08 -0.96 0.00 0.39 0.00 0.00 0.00 179.25 178.60 3ice n GLU 244 N -5.46 0.00 0.00 0.00 1.02 0.05 -1.34 120.64 114.90 3ice n GLU 244 Ca -0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 3ice n GLU 244 Cb 0.37 -1.32 0.00 0.00 -0.02 0.00 0.00 31.44 30.47 3ice n GLU 244 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3ice n VAL 246 N 0.98 0.00 -0.19 2.62 0.31 -0.42 -1.06 118.33 120.58 3ice n VAL 246 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 3ice n VAL 246 Cb 0.00 0.00 0.15 0.00 -0.91 0.00 0.00 33.84 33.08 3ice n VAL 246 CO 0.00 0.00 0.00 -0.29 -1.32 0.00 0.00 176.83 175.22 3ice h ILE 247 N 0.00 1.24 -0.76 2.52 2.10 -1.48 -0.85 117.51 120.27 3ice h ILE 247 Ca 0.00 -0.82 -0.04 0.00 1.08 0.00 0.00 64.86 65.07 3ice h ILE 247 Cb 0.00 0.54 -0.03 0.00 -1.09 0.00 0.00 36.82 36.24 3ice h ILE 247 CO 0.00 0.32 0.30 -0.33 -1.08 0.00 0.00 178.15 177.36 3ice h GLU 248 N 0.93 1.13 0.15 2.19 4.39 -1.35 -0.05 114.58 121.97 3ice h GLU 248 Ca 0.21 -0.20 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 3ice h GLU 248 Cb 0.27 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 3ice h GLU 248 CO -0.01 0.92 -0.07 -0.22 -1.16 0.00 0.00 179.01 178.47 3ice h LYS 249 N 1.10 -0.19 -0.82 2.33 3.64 -1.49 -1.56 116.57 119.58 3ice h LYS 249 Ca 0.25 0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.77 3ice h LYS 249 Cb 0.21 0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 31.99 3ice h LYS 249 CO -0.02 -0.03 0.43 0.00 -2.27 0.00 0.00 179.45 177.56 3ice h ALA 250 N 0.52 1.19 -0.33 5.00 0.00 -0.90 0.72 119.26 125.46 3ice h ALA 250 Ca -0.02 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.03 3ice h ALA 250 Cb 0.25 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.92 3ice h ALA 250 CO 0.03 -0.03 -0.15 0.87 0.00 0.00 0.00 179.25 179.97 3ice h LYS 251 N 0.66 -0.09 -0.97 0.00 1.57 -0.74 -1.42 116.57 115.59 3ice h LYS 251 Ca 0.42 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.23 3ice h LYS 251 Cb 0.52 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.80 3ice h LYS 251 CO -0.32 -0.06 0.64 0.00 -0.57 0.00 0.00 179.45 179.14 3ice h ARG 252 N -0.09 1.25 -0.63 3.15 -0.00 0.13 0.65 114.38 118.84 3ice h ARG 252 Ca 0.17 -0.08 -0.07 0.00 -0.50 0.00 0.00 59.98 59.50 3ice h ARG 252 Cb 0.35 -0.28 -0.02 0.00 0.00 0.00 0.00 29.97 30.01 3ice h ARG 252 CO -0.39 0.83 0.11 -0.07 0.00 0.00 0.00 179.97 180.45 3ice h LEU 253 N 1.29 0.98 -1.05 3.04 3.38 -0.70 -1.31 115.31 120.94 3ice h LEU 253 Ca 0.36 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 3ice h LEU 253 Cb -0.11 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.37 3ice h LEU 253 CO -0.09 0.99 -0.31 0.58 0.09 0.00 0.00 178.44 179.70 3ice h VAL 254 N 0.94 1.27 -0.03 1.22 2.07 -0.18 0.70 116.25 122.24 3ice h VAL 254 Ca 0.19 -1.30 -0.06 0.00 0.82 0.00 0.00 66.70 66.35 3ice h VAL 254 Cb 0.41 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 3ice h VAL 254 CO 0.01 0.39 -0.28 -0.33 0.02 0.00 0.00 177.57 177.39 3ice h GLU 255 N 0.25 0.05 -0.05 1.57 5.08 -0.56 0.07 114.58 121.00 3ice h GLU 255 Ca 0.03 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3ice h GLU 255 Cb 0.68 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.93 3ice h GLU 255 CO 0.05 0.33 0.00 0.72 -1.00 0.00 0.00 179.01 179.11 3ice n HIS 256 N -4.19 0.06 -1.14 4.33 8.25 -0.24 -4.87 115.22 117.42 3ice n HIS 256 Ca -0.02 -0.03 -0.03 0.00 -0.26 0.00 0.00 57.72 57.38 3ice n HIS 256 Cb 0.34 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.43 3ice n HIS 256 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 3ice n LYS 257 N -0.46 -0.21 -2.92 -0.41 4.81 0.01 -5.01 118.16 113.97 3ice n LYS 257 Ca 0.16 0.58 -0.25 0.00 -0.87 0.00 0.00 58.31 57.93 3ice n LYS 257 Cb 0.15 -4.21 0.01 0.00 0.02 0.00 0.00 35.03 30.99 3ice n LYS 257 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 3ice s LYS 258 N -2.35 3.26 -0.30 1.64 1.02 0.07 -2.93 119.74 120.15 3ice s LYS 258 Ca 0.00 -0.22 -0.11 0.00 0.02 0.00 0.00 55.97 55.66 3ice s LYS 258 Cb 0.00 -2.50 -0.03 0.00 -0.52 0.00 0.00 37.83 34.78 3ice s LYS 258 CO 0.00 -0.21 0.19 -0.51 -0.92 0.00 0.00 175.35 173.89 3ice s ASP 259 N -4.16 5.86 -0.11 2.83 1.01 -1.26 -2.47 116.67 118.36 3ice s ASP 259 Ca 0.47 -0.23 0.00 0.00 0.71 0.00 0.00 52.55 53.50 3ice s ASP 259 Cb -0.10 -2.08 -0.02 0.00 1.01 0.00 0.00 42.92 41.73 3ice s ASP 259 CO 0.40 -0.12 -0.12 -0.69 0.21 0.00 0.00 175.17 174.85 3ice s VAL 260 N 1.71 3.17 -0.26 -1.27 1.01 -0.81 -0.77 120.40 123.18 3ice s VAL 260 Ca 0.06 -0.63 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 3ice s VAL 260 Cb -0.16 -2.32 0.04 0.00 0.00 0.00 0.00 36.38 33.93 3ice s VAL 260 CO 0.09 0.54 -0.06 -0.63 0.00 0.00 0.00 175.10 175.04 3ice s ILE 261 N 0.09 2.71 -0.23 2.22 -1.09 -0.25 -1.47 121.20 123.19 3ice s ILE 261 Ca -0.05 -1.23 -0.08 0.00 -2.23 0.00 0.00 60.65 57.05 3ice s ILE 261 Cb -0.15 -2.45 -0.04 0.00 -1.58 0.00 0.00 42.46 38.25 3ice s ILE 261 CO 0.04 0.10 0.10 -0.63 -1.23 0.00 0.00 174.94 173.32 3ice s ILE 262 N 1.26 4.75 -0.21 2.92 1.01 0.15 -4.51 121.20 126.57 3ice s ILE 262 Ca -0.03 -0.03 0.02 0.00 0.00 0.00 0.00 60.65 60.61 3ice s ILE 262 Cb -0.18 -3.20 0.04 0.00 0.01 0.00 0.00 42.46 39.13 3ice s ILE 262 CO -0.04 0.37 -0.16 -0.76 0.00 0.00 0.00 174.94 174.34 3ice s LEU 263 N 1.13 2.67 -0.06 2.97 1.43 -1.26 -1.55 118.68 124.02 3ice s LEU 263 Ca 0.05 -0.96 0.01 0.00 -1.03 0.00 0.00 54.13 52.21 3ice s LEU 263 Cb -0.14 -1.51 0.02 0.00 0.03 0.00 0.00 46.19 44.59 3ice s LEU 263 CO 0.04 -0.08 -0.07 -0.76 0.23 0.00 0.00 176.35 175.71 3ice s LEU 264 N 1.21 1.41 0.43 1.79 1.43 -0.65 -2.64 118.68 121.66 3ice s LEU 264 Ca -0.01 -0.20 -0.06 0.00 -1.03 0.00 0.00 54.13 52.84 3ice s LEU 264 Cb -0.16 -0.60 -0.04 0.00 0.03 0.00 0.00 46.19 45.42 3ice s LEU 264 CO -0.10 -0.03 0.73 1.51 0.23 0.00 0.00 176.35 178.70 3ice s ASP 265 N 0.90 6.34 -1.06 2.29 1.47 -1.22 -2.52 116.67 122.86 3ice s ASP 265 Ca -0.11 0.90 -0.11 0.00 1.18 0.00 0.00 52.55 54.40 3ice s ASP 265 Cb -0.15 -2.23 -0.04 0.00 -0.34 0.00 0.00 42.92 40.16 3ice s ASP 265 CO 0.01 -0.47 0.86 -1.20 0.68 0.00 0.00 175.17 175.04 3ice n SER 266 N -1.88 -6.21 0.22 2.11 7.64 -1.24 -3.63 113.62 110.63 3ice n SER 266 Ca 0.00 -0.80 0.10 0.00 1.01 0.00 0.00 58.87 59.18 3ice n SER 266 Cb 0.55 -4.49 0.40 0.00 -1.01 0.00 0.00 64.21 59.66 3ice n SER 266 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 3ice h ILE 267 N -1.30 0.49 0.10 0.44 2.10 -1.75 -1.95 117.51 115.63 3ice h ILE 267 Ca -0.60 -1.19 -0.27 0.00 1.08 0.00 0.00 64.86 63.89 3ice h ILE 267 Cb 1.31 1.84 0.01 0.00 -1.09 0.00 0.00 36.82 38.90 3ice h ILE 267 CO 0.45 0.21 -1.18 0.71 -1.08 0.00 0.00 178.15 177.26 3ice h THR 268 N 0.00 1.46 -0.07 2.19 1.35 -1.92 -2.28 112.91 113.65 3ice h THR 268 Ca -0.00 -2.88 -0.10 0.00 -0.55 0.00 0.00 66.41 62.88 3ice h THR 268 Cb 0.83 2.82 -0.01 0.00 -1.73 0.00 0.00 68.15 70.05 3ice h THR 268 CO 0.03 0.85 -0.39 0.03 -0.25 0.00 0.00 175.52 175.78 3ice h ARG 269 N 0.12 0.14 -0.57 4.72 2.47 -1.84 -0.91 114.38 118.51 3ice h ARG 269 Ca -0.13 -0.06 -0.06 0.00 -1.26 0.00 0.00 59.98 58.47 3ice h ARG 269 Cb 1.88 -0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 30.17 3ice h ARG 269 CO 0.20 0.52 0.11 1.25 0.56 0.00 0.00 179.97 182.60 3ice h LEU 270 N 0.12 0.89 -0.76 3.04 5.85 -1.27 0.02 115.31 123.21 3ice h LEU 270 Ca 0.01 -0.25 -0.11 0.00 0.84 0.00 0.00 57.88 58.37 3ice h LEU 270 Cb 0.76 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 3ice h LEU 270 CO 0.06 0.91 -0.28 0.00 -0.34 0.00 0.00 178.44 178.80 3ice h ALA 271 N 1.01 0.93 -0.56 1.25 0.00 -1.03 0.41 119.26 121.28 3ice h ALA 271 Ca 0.18 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 3ice h ALA 271 Cb 0.39 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3ice h ALA 271 CO 0.01 0.61 0.09 0.00 0.00 0.00 0.00 179.25 179.97 3ice h ARG 272 N 0.55 0.90 -0.22 0.00 3.08 -0.99 -2.45 114.38 115.26 3ice h ARG 272 Ca 0.07 -0.21 -0.05 0.00 0.07 0.00 0.00 59.98 59.86 3ice h ARG 272 Cb 0.76 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 3ice h ARG 272 CO 0.06 0.83 -0.07 0.00 -1.07 0.00 0.00 179.97 179.72 3ice h ALA 273 N 1.25 0.30 -0.16 0.04 0.00 -0.41 -2.19 119.26 118.09 3ice h ALA 273 Ca 0.18 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.86 3ice h ALA 273 Cb 0.37 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3ice h ALA 273 CO 0.01 0.11 0.21 1.88 0.00 0.00 0.00 179.25 181.45 3ice h TYR 274 N 0.15 0.00 -0.47 0.00 0.05 -0.83 -2.40 116.97 113.47 3ice h TYR 274 Ca 0.05 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.81 3ice h TYR 274 Cb 0.54 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.26 3ice h TYR 274 CO 0.06 0.00 0.20 -0.97 -1.05 0.00 0.00 178.16 176.39 3ice h ASN 275 N 0.00 0.61 -0.59 3.88 -0.73 -0.90 -2.82 115.58 115.03 3ice h ASN 275 Ca 0.07 -0.06 -0.00 0.00 1.87 0.00 0.00 56.30 58.18 3ice h ASN 275 Cb 0.48 -0.16 -0.03 0.00 0.27 0.00 0.00 38.32 38.89 3ice h ASN 275 CO -0.00 0.54 0.35 0.00 -0.37 0.00 0.00 177.43 177.96 3ice h THR 276 N 0.67 1.17 0.00 -3.57 1.03 -1.51 -2.93 112.91 107.77 3ice h THR 276 Ca 0.16 -0.40 0.00 0.00 -0.01 0.00 0.00 66.41 66.17 3ice h THR 276 Cb 0.12 0.33 0.00 0.00 -1.07 0.00 0.00 68.15 67.53 3ice h THR 276 CO -0.02 0.18 0.00 0.52 -0.01 0.00 0.00 175.52 176.20 3ice n VAL 277 N -4.41 0.39 -3.34 0.00 0.31 -1.06 -4.23 118.33 105.98 3ice n VAL 277 Ca 0.06 0.10 -0.27 0.00 -0.01 0.00 0.00 64.34 64.22 3ice n VAL 277 Cb 0.08 -0.74 -0.07 0.00 -0.91 0.00 0.00 33.84 32.19 3ice n VAL 277 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3ice n VAL 278 N -1.33 2.29 -3.46 2.52 0.31 -1.11 -5.04 118.33 112.52 3ice n VAL 278 Ca 0.09 -5.21 -0.22 0.00 -0.01 0.00 0.00 64.34 59.00 3ice n VAL 278 Cb 0.19 -1.98 0.00 0.00 -0.91 0.00 0.00 33.84 31.14 3ice n VAL 278 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3ice s PRO 279 N -2.55 2.43 0.00 5.55 0.04 -1.26 -4.33 135.00 134.87 3ice s PRO 279 Ca 0.41 -1.67 0.00 0.00 0.04 0.00 0.00 61.00 59.78 3ice s PRO 279 Cb 0.17 -2.41 0.00 0.00 0.04 0.00 0.00 34.50 32.30 3ice s PRO 279 CO -0.03 -0.49 0.00 0.00 0.04 0.00 0.00 177.00 176.51 3ice n ALA 280 N -1.82 0.00 0.02 8.56 0.00 -1.26 -4.59 120.51 121.42 3ice n ALA 280 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.46 3ice n ALA 280 Cb 0.62 -0.35 0.20 0.00 0.00 0.00 0.00 19.45 19.93 3ice n ALA 280 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3ice h SER 281 N 0.00 0.47 0.00 0.00 0.87 -1.97 -3.47 113.55 109.45 3ice h SER 281 Ca 0.00 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 3ice h SER 281 Cb 0.00 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 61.83 3ice h SER 281 CO 0.00 0.73 0.00 0.61 -0.53 0.00 0.00 176.83 177.64 3ice n GLY 282 N -0.36 0.67 3.13 5.77 0.00 -1.26 -5.02 105.19 108.12 3ice n GLY 282 Ca -0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 3ice n GLY 282 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ice s LYS 283 N -0.27 1.99 0.07 1.61 3.01 -1.26 -5.01 119.74 119.88 3ice s LYS 283 Ca 0.00 -0.63 -0.13 0.00 -1.01 0.00 0.00 55.97 54.21 3ice s LYS 283 Cb 0.00 -1.67 0.02 0.00 -1.01 0.00 0.00 37.83 35.17 3ice s LYS 283 CO 0.00 0.20 0.30 0.54 0.51 0.00 0.00 175.35 176.89 3ice s VAL 284 N 0.20 0.09 0.00 3.17 0.11 -1.26 0.30 120.40 123.01 3ice s VAL 284 Ca -0.08 -0.78 0.00 0.00 -2.93 0.00 0.00 61.98 58.19 3ice s VAL 284 Cb -0.13 -1.08 0.00 0.00 -1.53 0.00 0.00 36.38 33.64 3ice s VAL 284 CO 0.04 -0.43 0.00 0.18 -3.33 0.00 0.00 175.10 171.56 3ice n LEU 285 N 0.27 0.00 -3.68 2.54 4.32 -0.19 -4.94 117.00 115.32 3ice n LEU 285 Ca -0.17 0.00 -0.25 0.00 -0.02 0.00 0.00 56.01 55.57 3ice n LEU 285 Cb 0.61 0.00 0.06 0.00 -1.62 0.00 0.00 43.42 42.47 3ice n LEU 285 CO 0.21 0.00 0.18 0.41 -1.22 0.00 0.00 177.39 176.97 3ice n THR 286 N -0.07 -3.02 -3.67 -5.08 -1.04 -1.26 -3.23 114.28 96.92 3ice n THR 286 Ca 0.00 -0.06 -0.22 0.00 -2.04 0.00 0.00 64.05 61.73 3ice n THR 286 Cb 0.00 -3.73 0.05 0.00 -1.82 0.00 0.00 70.33 64.83 3ice n THR 286 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ice n GLY 287 N -1.83 -0.36 0.00 3.41 0.00 -1.26 -4.55 105.19 100.59 3ice n GLY 287 Ca -0.02 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3ice n GLY 287 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ice n GLY 288 N -1.53 -0.41 3.77 -0.02 0.00 -1.23 -2.74 105.19 103.03 3ice n GLY 288 Ca -0.22 0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 3ice n GLY 288 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ice s VAL 289 N 0.00 2.35 -0.05 1.61 0.11 -1.20 -4.83 120.40 118.39 3ice s VAL 289 Ca 0.00 0.35 0.06 0.00 -2.93 0.00 0.00 61.98 59.45 3ice s VAL 289 Cb 0.00 -3.22 -0.01 0.00 -1.53 0.00 0.00 36.38 31.62 3ice s VAL 289 CO 0.00 0.08 -0.22 -0.62 -3.33 0.00 0.00 175.10 171.01 3ice s ASP 290 N -0.31 2.68 1.86 3.54 2.15 -1.26 -1.02 116.67 124.30 3ice s ASP 290 Ca 0.51 -0.44 0.00 0.00 0.43 0.00 0.00 52.55 53.05 3ice s ASP 290 Cb -0.43 -0.68 0.00 0.00 -0.30 0.00 0.00 42.92 41.50 3ice s ASP 290 CO 0.58 0.22 0.00 0.00 -0.17 0.00 0.00 175.17 175.80 3ice n ALA 291 N 2.97 0.00 -3.19 3.66 0.00 0.88 -3.63 120.51 121.19 3ice n ALA 291 Ca -0.17 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.07 3ice n ALA 291 Cb 0.52 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.93 3ice n ALA 291 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3ice n ASN 292 N 4.73 0.66 -0.01 0.00 6.94 -1.26 -4.86 115.26 121.45 3ice n ASN 292 Ca 0.00 -2.93 -0.03 0.00 -0.02 0.00 0.00 54.58 51.60 3ice n ASN 292 Cb 0.00 -0.62 0.20 0.00 -2.36 0.00 0.00 39.78 36.99 3ice n ASN 292 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3ice h ALA 293 N 3.26 1.12 -0.93 -2.53 0.00 -1.90 -3.20 119.26 115.08 3ice h ALA 293 Ca 0.09 -0.32 0.08 0.00 0.00 0.00 0.00 54.91 54.76 3ice h ALA 293 Cb 0.95 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.54 3ice h ALA 293 CO 0.49 0.55 0.60 -0.07 0.00 0.00 0.00 179.25 180.82 3ice h LEU 294 N 0.50 0.90 -1.12 0.00 3.38 -1.90 -2.24 115.31 114.83 3ice h LEU 294 Ca 0.08 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3ice h LEU 294 Cb 0.60 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 3ice h LEU 294 CO 0.04 0.56 0.47 -0.74 0.09 0.00 0.00 178.44 178.85 3ice h HIS 295 N 1.01 1.04 0.20 1.13 2.76 -1.96 0.89 115.15 120.22 3ice h HIS 295 Ca 0.41 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.57 3ice h HIS 295 Cb 0.28 -0.34 0.00 0.00 1.55 0.00 0.00 27.41 28.90 3ice h HIS 295 CO -0.00 0.70 -0.09 0.00 -1.30 0.00 0.00 177.93 177.23 3ice h ARG 296 N 1.09 -0.25 -0.32 5.26 3.08 -1.58 0.20 114.38 121.85 3ice h ARG 296 Ca 0.28 0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.29 3ice h ARG 296 Cb -0.03 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 3ice h ARG 296 CO -0.05 -0.03 -0.06 -1.35 -1.07 0.00 0.00 179.97 177.41 3ice h PRO 297 N -0.45 0.52 -0.50 0.04 0.11 -1.48 -2.59 132.00 127.66 3ice h PRO 297 Ca -0.03 -0.13 -0.13 0.00 0.11 0.00 0.00 66.00 65.83 3ice h PRO 297 Cb 0.34 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 3ice h PRO 297 CO 0.04 0.59 -0.18 0.87 -0.21 0.00 0.00 178.00 179.11 3ice h LYS 298 N 0.49 0.99 -0.96 1.05 1.57 0.10 0.76 116.57 120.58 3ice h LYS 298 Ca 0.10 -0.40 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 3ice h LYS 298 Cb 0.41 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.63 3ice h LYS 298 CO 0.02 1.08 0.61 -0.09 -0.57 0.00 0.00 179.45 180.50 3ice h ARG 299 N 0.86 1.27 -0.49 3.15 9.65 -0.53 -0.24 114.38 128.05 3ice h ARG 299 Ca 0.12 -0.09 -0.11 0.00 -1.10 0.00 0.00 59.98 58.79 3ice h ARG 299 Cb 0.75 -0.28 -0.02 0.00 -1.39 0.00 0.00 29.97 29.04 3ice h ARG 299 CO 0.06 0.86 -0.12 0.35 2.80 0.00 0.00 179.97 183.92 3ice h PHE 300 N 1.30 1.08 0.00 2.20 3.57 -0.94 -2.71 116.94 121.44 3ice h PHE 300 Ca 0.35 -0.23 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 3ice h PHE 300 Cb -0.11 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.37 3ice h PHE 300 CO 0.00 1.03 -0.00 0.35 -2.23 0.00 0.00 178.31 177.46 3ice h PHE 301 N 0.81 -0.00 0.00 0.41 -0.00 -0.63 -2.87 116.94 114.66 3ice h PHE 301 Ca 0.12 -0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.09 3ice h PHE 301 Cb 0.68 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.63 3ice h PHE 301 CO 0.05 0.44 0.05 0.41 -0.00 0.00 0.00 178.31 179.26 3ice n GLY 302 N 0.11 -0.50 0.30 2.40 0.00 -0.12 -1.95 105.19 105.43 3ice n GLY 302 Ca -0.08 0.02 -0.07 0.00 0.00 0.00 0.00 46.02 45.89 3ice n GLY 302 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ice h ALA 303 N 1.81 0.88 -2.68 4.61 0.00 -1.24 -3.43 119.26 119.21 3ice h ALA 303 Ca 0.00 -0.17 -0.55 0.00 0.00 0.00 0.00 54.91 54.19 3ice h ALA 303 Cb 0.10 -0.27 0.09 0.00 0.00 0.00 0.00 17.79 17.72 3ice h ALA 303 CO 0.00 0.50 0.77 0.00 0.00 0.00 0.00 179.25 180.51 3ice n ALA 304 N -2.39 2.09 -3.78 0.00 0.00 -0.82 -4.89 120.51 110.72 3ice n ALA 304 Ca 0.05 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.86 3ice n ALA 304 Cb 0.17 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.23 3ice n ALA 304 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3ice s ARG 305 N -0.93 0.71 -0.13 0.00 1.70 0.10 -4.88 118.95 115.53 3ice s ARG 305 Ca 0.62 -0.42 -0.04 0.00 -0.47 0.00 0.00 55.73 55.42 3ice s ARG 305 Cb -0.53 0.22 -0.03 0.00 -0.57 0.00 0.00 34.95 34.03 3ice s ARG 305 CO 0.53 -0.33 0.01 1.21 -1.08 0.00 0.00 175.30 175.64 3ice s ASN 306 N -3.26 5.27 -0.03 -2.89 3.84 -1.25 -1.09 114.94 115.53 3ice s ASN 306 Ca 0.19 0.08 0.03 0.00 0.21 0.00 0.00 52.86 53.36 3ice s ASN 306 Cb 0.01 -1.69 -0.03 0.00 -0.55 0.00 0.00 41.25 38.99 3ice s ASN 306 CO -0.00 0.28 -0.09 -0.69 -2.79 0.00 0.00 177.10 173.81 3ice s VAL 307 N -0.28 3.50 0.16 -5.21 1.01 -1.24 -0.32 120.40 118.02 3ice s VAL 307 Ca 0.06 -0.68 0.05 0.00 0.00 0.00 0.00 61.98 61.42 3ice s VAL 307 Cb -0.12 -2.45 -0.16 0.00 0.00 0.00 0.00 36.38 33.65 3ice s VAL 307 CO 0.02 0.51 1.37 -0.08 0.00 0.00 0.00 175.10 176.91 3ice h GLU 308 N 4.97 0.10 -0.21 2.72 4.81 -1.78 -3.27 114.58 121.92 3ice h GLU 308 Ca -0.48 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 58.61 3ice h GLU 308 Cb 1.17 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 3ice h GLU 308 CO 0.52 0.93 0.09 0.93 -0.73 0.00 0.00 179.01 180.76 3ice h GLU 309 N 0.05 0.32 0.00 1.92 4.39 -1.95 -3.49 114.58 115.82 3ice h GLU 309 Ca -0.03 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.61 3ice h GLU 309 Cb 1.56 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 30.16 3ice h GLU 309 CO 0.13 0.36 0.00 0.41 -1.16 0.00 0.00 179.01 178.75 3ice n GLY 310 N -0.75 3.10 5.38 -3.84 0.00 -1.23 -5.10 105.19 102.74 3ice n GLY 310 Ca -0.03 -1.07 0.03 0.00 0.00 0.00 0.00 46.02 44.95 3ice n GLY 310 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ice n GLY 311 N -1.20 -1.59 3.63 -0.02 0.00 -1.15 -4.67 105.19 100.18 3ice n GLY 311 Ca 0.00 -1.21 -0.03 0.00 0.00 0.00 0.00 46.02 44.77 3ice n GLY 311 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ice s SER 312 N -4.26 -0.17 -0.16 1.61 1.04 -1.03 -3.70 113.70 107.01 3ice s SER 312 Ca 0.00 -0.16 -0.02 0.00 0.48 0.00 0.00 55.95 56.26 3ice s SER 312 Cb 0.00 0.30 0.05 0.00 0.10 0.00 0.00 66.02 66.47 3ice s SER 312 CO 0.00 -0.53 0.01 -0.22 0.98 0.00 0.00 173.24 173.48 3ice s LEU 313 N -2.70 1.20 -0.11 2.42 2.96 -0.25 -1.92 118.68 120.28 3ice s LEU 313 Ca 0.11 -0.65 -0.01 0.00 -0.22 0.00 0.00 54.13 53.35 3ice s LEU 313 Cb 0.01 -0.65 -0.03 0.00 0.50 0.00 0.00 46.19 46.02 3ice s LEU 313 CO -0.03 -0.26 -0.04 0.42 -1.32 0.00 0.00 176.35 175.12 3ice s THR 314 N 1.82 3.90 -0.10 3.68 -4.23 -0.54 0.01 115.64 120.18 3ice s THR 314 Ca 0.00 -0.39 -0.00 0.00 -1.18 0.00 0.00 61.69 60.12 3ice s THR 314 Cb -0.16 -2.65 0.02 0.00 1.34 0.00 0.00 72.50 71.06 3ice s THR 314 CO -0.07 0.56 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.88 3ice s ILE 315 N -0.35 0.86 -0.11 2.99 1.01 -0.85 -0.68 121.20 124.08 3ice s ILE 315 Ca 0.06 -0.20 0.03 0.00 0.00 0.00 0.00 60.65 60.54 3ice s ILE 315 Cb -0.12 -0.91 -0.00 0.00 0.01 0.00 0.00 42.46 41.44 3ice s ILE 315 CO 0.02 0.34 -0.22 -0.63 0.00 0.00 0.00 174.94 174.45 3ice s ILE 316 N 1.67 2.25 0.08 2.92 -1.09 -0.59 -3.20 121.20 123.23 3ice s ILE 316 Ca 0.03 -0.95 -0.00 0.00 -2.23 0.00 0.00 60.65 57.50 3ice s ILE 316 Cb -0.13 -1.88 -0.04 0.00 -1.58 0.00 0.00 42.46 38.84 3ice s ILE 316 CO -0.06 0.55 -0.03 0.00 -1.23 0.00 0.00 174.94 174.17 3ice s ALA 317 N 0.37 0.71 -0.29 9.38 0.00 -1.21 -1.64 121.76 129.08 3ice s ALA 317 Ca -0.17 -1.29 -0.10 0.00 0.00 0.00 0.00 51.96 50.40 3ice s ALA 317 Cb -0.17 0.30 -0.03 0.00 0.00 0.00 0.00 23.12 23.21 3ice s ALA 317 CO 0.08 -0.34 0.16 0.95 0.00 0.00 0.00 175.76 176.61 3ice s THR 318 N -3.83 4.93 -0.07 0.00 -4.23 -1.05 -0.32 115.64 111.07 3ice s THR 318 Ca 0.10 -0.09 -0.14 0.00 -1.18 0.00 0.00 61.69 60.39 3ice s THR 318 Cb 0.07 -3.40 -0.05 0.00 1.34 0.00 0.00 72.50 70.46 3ice s THR 318 CO -0.07 0.19 0.35 0.00 -0.54 0.00 0.00 174.62 174.55 3ice s ALA 319 N 1.69 3.67 -0.24 3.99 0.00 0.35 -2.83 121.76 128.39 3ice s ALA 319 Ca 0.06 -0.34 -0.07 0.00 0.00 0.00 0.00 51.96 51.61 3ice s ALA 319 Cb -0.16 -2.36 -0.03 0.00 0.00 0.00 0.00 23.12 20.57 3ice s ALA 319 CO 0.08 0.34 0.06 -1.17 0.00 0.00 0.00 175.76 175.08 3ice s LEU 320 N -0.47 3.45 0.38 0.00 2.96 -1.26 -1.76 118.68 121.98 3ice s LEU 320 Ca 0.21 -0.18 0.06 0.00 -0.22 0.00 0.00 54.13 54.00 3ice s LEU 320 Cb -0.15 -1.92 -0.02 0.00 0.50 0.00 0.00 46.19 44.60 3ice s LEU 320 CO 0.09 -0.01 0.22 0.27 -1.32 0.00 0.00 176.35 175.61 3ice s ILE 321 N 1.45 0.22 -1.04 6.68 -4.36 -1.20 -4.77 121.20 118.18 3ice s ILE 321 Ca 0.05 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.44 3ice s ILE 321 Cb -0.15 -2.40 0.00 0.00 1.25 0.00 0.00 42.46 41.17 3ice s ILE 321 CO 0.03 0.00 0.00 -0.67 0.24 0.00 0.00 174.94 174.54 3ice n ASP 322 N -1.55 -5.71 -0.12 4.36 -0.08 -1.26 -4.17 116.55 108.02 3ice n ASP 322 Ca 0.01 0.24 -0.09 0.00 -1.51 0.00 0.00 54.79 53.45 3ice n ASP 322 Cb 0.63 -4.11 0.06 0.00 2.34 0.00 0.00 41.12 40.04 3ice n ASP 322 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 3ice h THR 323 N 0.00 1.27 0.00 5.18 1.35 -1.96 -3.47 112.91 115.28 3ice h THR 323 Ca -0.20 -1.33 0.00 0.00 -0.55 0.00 0.00 66.41 64.33 3ice h THR 323 Cb 1.16 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 3ice h THR 323 CO 0.29 0.45 0.00 0.61 -0.25 0.00 0.00 175.52 176.63 3ice n GLY 324 N -0.23 0.78 3.70 5.82 0.00 -1.26 -5.09 105.19 108.91 3ice n GLY 324 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3ice n GLY 324 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ice s SER 325 N -1.93 5.25 0.00 1.61 0.15 -1.26 -5.09 113.70 112.44 3ice s SER 325 Ca 0.00 0.07 -0.02 0.00 0.70 0.00 0.00 55.95 56.70 3ice s SER 325 Cb 0.00 -1.43 -0.09 0.00 -1.71 0.00 0.00 66.02 62.79 3ice s SER 325 CO 0.00 0.31 2.30 0.29 1.20 0.00 0.00 173.24 177.34 3ice n LYS 326 N 1.59 1.20 0.00 5.44 5.02 -1.11 -3.30 118.16 127.00 3ice n LYS 326 Ca -0.16 -0.33 0.00 0.00 -2.02 0.00 0.00 58.31 55.80 3ice n LYS 326 Cb 0.53 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 3ice n LYS 326 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3ice n ASP 328 N 1.95 0.00 0.02 4.39 8.00 -1.26 -3.09 116.55 126.56 3ice n ASP 328 Ca 0.14 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.48 3ice n ASP 328 Cb 0.57 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.61 3ice n ASP 328 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3ice h GLU 329 N 0.00 0.66 -0.57 -1.24 4.39 -1.86 -2.38 114.58 113.58 3ice h GLU 329 Ca 0.00 -0.61 -0.04 0.00 0.34 0.00 0.00 59.36 59.05 3ice h GLU 329 Cb 0.00 0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 3ice h GLU 329 CO 0.00 1.21 0.19 0.28 -1.16 0.00 0.00 179.01 179.53 3ice h VAL 330 N 0.42 1.24 -0.87 3.13 2.07 -1.85 -2.33 116.25 118.05 3ice h VAL 330 Ca -0.08 -0.78 -0.03 0.00 0.82 0.00 0.00 66.70 66.63 3ice h VAL 330 Cb 1.50 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.90 3ice h VAL 330 CO 0.17 0.30 0.44 0.40 0.02 0.00 0.00 177.57 178.89 3ice h ILE 331 N 0.80 1.26 -0.80 4.57 2.04 -1.87 -1.24 117.51 122.26 3ice h ILE 331 Ca 0.19 -0.71 -0.03 0.00 1.00 0.00 0.00 64.86 65.31 3ice h ILE 331 Cb 0.26 0.12 -0.04 0.00 -0.74 0.00 0.00 36.82 36.43 3ice h ILE 331 CO -0.01 0.31 0.39 0.22 0.00 0.00 0.00 178.15 179.06 3ice h TYR 332 N 1.24 1.15 -0.65 1.37 3.20 -1.25 -2.43 116.97 119.60 3ice h TYR 332 Ca 0.30 -0.05 -0.03 0.00 3.14 0.00 0.00 58.73 62.09 3ice h TYR 332 Cb 0.09 -0.36 -0.03 0.00 1.54 0.00 0.00 36.73 37.97 3ice h TYR 332 CO 0.01 0.83 0.28 1.49 -1.64 0.00 0.00 178.16 179.13 3ice h GLU 333 N 1.14 0.94 -0.71 1.82 4.57 -0.71 -2.21 114.58 119.42 3ice h GLU 333 Ca 0.28 -0.14 -0.03 0.00 -1.18 0.00 0.00 59.36 58.29 3ice h GLU 333 Cb 0.11 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.50 3ice h GLU 333 CO -0.04 0.75 0.33 0.93 -1.18 0.00 0.00 179.01 179.81 3ice h GLU 334 N 0.93 1.03 -0.02 1.92 4.39 -0.77 -2.57 114.58 119.49 3ice h GLU 334 Ca 0.22 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.76 3ice h GLU 334 Cb 0.15 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 3ice h GLU 334 CO -0.02 0.82 0.00 1.19 -1.16 0.00 0.00 179.01 179.84 3ice n PHE 335 N -4.42 0.00 -0.25 4.33 3.01 -1.20 -4.06 117.46 114.88 3ice n PHE 335 Ca 0.06 -0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.45 3ice n PHE 335 Cb 0.14 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 39.65 3ice n PHE 335 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 3ice h LYS 336 N 3.01 1.01 0.00 -1.08 1.57 -0.96 -2.45 116.57 117.67 3ice h LYS 336 Ca 0.00 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 3ice h LYS 336 Cb 0.64 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.78 3ice h LYS 336 CO 0.00 0.83 -1.01 0.41 -0.57 0.00 0.00 179.45 179.11 3ice n GLY 337 N -0.88 -1.13 0.09 3.86 0.00 -1.25 -4.40 105.19 101.47 3ice n GLY 337 Ca 0.05 -0.47 -0.17 0.00 0.00 0.00 0.00 46.02 45.43 3ice n GLY 337 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3ice h THR 338 N 0.00 1.64 -2.61 2.61 1.35 -1.68 -3.46 112.91 110.76 3ice h THR 338 Ca 0.00 -2.44 -0.60 0.00 -0.55 0.00 0.00 66.41 62.82 3ice h THR 338 Cb 0.64 3.28 0.11 0.00 -1.73 0.00 0.00 68.15 70.45 3ice h THR 338 CO 0.00 0.67 0.17 0.61 -0.25 0.00 0.00 175.52 176.72 3ice n GLY 339 N 1.63 -0.16 0.92 5.82 0.00 -0.94 -5.02 105.19 107.43 3ice n GLY 339 Ca -0.12 0.31 0.03 0.00 0.00 0.00 0.00 46.02 46.24 3ice n GLY 339 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3ice n ASN 340 N 1.12 2.47 -3.59 1.61 5.15 0.60 -4.96 115.26 117.66 3ice n ASN 340 Ca 0.09 -2.28 -0.01 0.00 -0.60 0.00 0.00 54.58 51.78 3ice n ASN 340 Cb 0.33 -0.52 -0.06 0.00 -0.53 0.00 0.00 39.78 39.00 3ice n ASN 340 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 3ice s GLU 342 N -1.61 0.33 -0.04 1.20 2.12 0.70 -0.88 118.70 120.53 3ice s GLU 342 Ca 0.18 0.62 -0.01 0.00 0.36 0.00 0.00 54.97 56.12 3ice s GLU 342 Cb 0.14 0.15 0.03 0.00 0.26 0.00 0.00 34.13 34.70 3ice s GLU 342 CO 0.06 -0.08 0.04 -1.17 -0.54 0.00 0.00 175.26 173.57 3ice s LEU 343 N 1.55 0.61 0.13 2.70 2.96 -1.12 -0.27 118.68 125.24 3ice s LEU 343 Ca -0.08 0.04 0.08 0.00 -0.22 0.00 0.00 54.13 53.95 3ice s LEU 343 Cb -0.04 -0.16 -0.04 0.00 0.50 0.00 0.00 46.19 46.45 3ice s LEU 343 CO -0.15 -0.19 -0.10 -1.00 -1.32 0.00 0.00 176.35 173.60 3ice s HIS 344 N 1.65 2.71 -0.04 5.38 3.76 -1.26 -1.19 115.29 126.30 3ice s HIS 344 Ca -0.01 -0.18 0.01 0.00 -0.15 0.00 0.00 55.06 54.73 3ice s HIS 344 Cb -0.13 -1.39 0.02 0.00 1.11 0.00 0.00 32.58 32.20 3ice s HIS 344 CO -0.03 0.45 -0.04 -0.51 -0.85 0.00 0.00 174.74 173.76 3ice s LEU 345 N -2.41 1.29 0.06 0.89 1.02 -0.62 0.34 118.68 119.25 3ice s LEU 345 Ca 0.22 -0.12 -0.18 0.00 0.02 0.00 0.00 54.13 54.08 3ice s LEU 345 Cb -0.10 -0.43 -0.06 0.00 0.02 0.00 0.00 46.19 45.62 3ice s LEU 345 CO 0.14 -0.06 0.52 -0.94 0.02 0.00 0.00 176.35 176.03 3ice s SER 346 N 0.95 6.98 0.21 2.29 1.04 0.44 -4.21 113.70 121.41 3ice s SER 346 Ca -0.11 1.17 0.03 0.00 0.48 0.00 0.00 55.95 57.52 3ice s SER 346 Cb -0.14 -2.32 0.17 0.00 0.10 0.00 0.00 66.02 63.83 3ice s SER 346 CO -0.00 0.28 1.51 -0.09 0.98 0.00 0.00 173.24 175.91 3ice h ARG 347 N 4.51 0.28 -0.19 4.02 2.43 -1.90 -2.99 114.38 120.55 3ice h ARG 347 Ca -0.50 -0.21 -0.00 0.00 -0.81 0.00 0.00 59.98 58.45 3ice h ARG 347 Cb 1.21 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.79 3ice h ARG 347 CO 0.63 0.84 0.10 0.87 -1.51 0.00 0.00 179.97 180.91 3ice h LYS 348 N 0.20 0.26 -0.52 0.20 1.57 -1.96 -1.20 116.57 115.13 3ice h LYS 348 Ca -0.01 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3ice h LYS 348 Cb 1.19 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.43 3ice h LYS 348 CO 0.11 0.25 0.31 0.82 -0.57 0.00 0.00 179.45 180.36 3ice h ILE 349 N 0.20 1.15 -0.45 1.86 2.04 -1.89 -1.86 117.51 118.56 3ice h ILE 349 Ca 0.07 -0.33 -0.04 0.00 1.00 0.00 0.00 64.86 65.56 3ice h ILE 349 Cb 0.06 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 3ice h ILE 349 CO -0.01 0.15 0.11 0.00 0.00 0.00 0.00 178.15 178.41 3ice h ALA 350 N 1.63 1.36 -0.12 1.87 0.00 -1.14 -1.03 119.26 121.82 3ice h ALA 350 Ca 0.19 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 3ice h ALA 350 Cb -0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3ice h ALA 350 CO -0.04 0.46 -0.35 0.93 0.00 0.00 0.00 179.25 180.25 3ice h GLU 351 N 0.65 0.26 0.00 0.00 5.08 -0.45 -0.17 114.58 119.94 3ice h GLU 351 Ca 0.15 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3ice h GLU 351 Cb 0.24 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3ice h GLU 351 CO -0.00 0.58 0.00 1.17 -1.00 0.00 0.00 179.01 179.76 3ice n LYS 352 N -4.07 0.13 -1.82 2.33 3.00 -0.44 -4.84 118.16 112.46 3ice n LYS 352 Ca -0.01 0.49 -0.17 0.00 -0.00 0.00 0.00 58.31 58.62 3ice n LYS 352 Cb 0.44 -1.83 -0.05 0.00 0.00 0.00 0.00 35.03 33.60 3ice n LYS 352 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 3ice n ARG 353 N -2.09 -1.23 -2.94 1.64 3.00 -0.08 -4.97 116.66 109.99 3ice n ARG 353 Ca 0.01 0.98 -0.43 0.00 -0.01 0.00 0.00 57.85 58.40 3ice n ARG 353 Cb 0.13 -5.27 -0.05 0.00 0.00 0.00 0.00 32.46 27.26 3ice n ARG 353 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 3ice s VAL 354 N -2.71 4.67 -0.06 1.55 1.01 -0.97 -5.03 120.40 118.86 3ice s VAL 354 Ca 0.00 0.73 0.04 0.00 0.00 0.00 0.00 61.98 62.75 3ice s VAL 354 Cb 0.00 -4.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.08 3ice s VAL 354 CO 0.00 -0.58 -0.17 -0.36 0.00 0.00 0.00 175.10 173.99 3ice s PHE 355 N 3.25 2.63 0.80 5.22 0.08 -1.26 -3.40 117.98 125.30 3ice s PHE 355 Ca 0.32 -0.38 -0.11 0.00 0.12 0.00 0.00 56.93 56.88 3ice s PHE 355 Cb -0.12 -1.65 0.07 0.00 -0.57 0.00 0.00 43.02 40.75 3ice s PHE 355 CO 0.20 0.02 1.10 -1.25 -0.10 0.00 0.00 175.22 175.19 3ice s PRO 356 N -0.42 2.00 -0.38 0.24 0.04 -1.26 -4.98 135.00 130.24 3ice s PRO 356 Ca 0.05 1.26 0.07 0.00 0.04 0.00 0.00 61.00 62.41 3ice s PRO 356 Cb -0.12 -1.86 0.67 0.00 0.04 0.00 0.00 34.50 33.22 3ice s PRO 356 CO 0.02 -1.85 1.80 0.00 0.04 0.00 0.00 177.00 177.01 3ice n ALA 357 N -3.65 5.00 -1.77 8.56 0.00 -1.22 -5.00 120.51 122.44 3ice n ALA 357 Ca 0.10 -2.75 -0.40 0.00 0.00 0.00 0.00 53.44 50.39 3ice n ALA 357 Cb 0.53 -1.25 -0.01 0.00 0.00 0.00 0.00 19.45 18.72 3ice n ALA 357 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3ice s ILE 358 N -3.18 2.55 -1.22 0.00 1.01 -1.26 -0.42 121.20 118.67 3ice s ILE 358 Ca 0.54 0.53 -0.14 0.00 0.00 0.00 0.00 60.65 61.58 3ice s ILE 358 Cb 0.45 -3.32 0.16 0.00 0.01 0.00 0.00 42.46 39.76 3ice s ILE 358 CO 0.10 0.11 1.47 -0.67 0.00 0.00 0.00 174.94 175.95 3ice n ASP 359 N 0.45 5.20 -0.28 3.58 -0.08 0.15 -4.68 116.55 120.90 3ice n ASP 359 Ca 0.02 -2.98 0.05 0.00 -1.51 0.00 0.00 54.79 50.37 3ice n ASP 359 Cb 0.42 -1.58 0.14 0.00 2.34 0.00 0.00 41.12 42.44 3ice n ASP 359 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 3ice h TYR 360 N 7.12 -0.23 -0.37 -0.67 3.20 -1.92 -1.78 116.97 122.31 3ice h TYR 360 Ca 0.33 0.07 -0.01 0.00 3.14 0.00 0.00 58.73 62.26 3ice h TYR 360 Cb 0.86 0.23 -0.02 0.00 1.54 0.00 0.00 36.73 39.34 3ice h TYR 360 CO 1.13 -0.31 0.21 -0.91 -1.64 0.00 0.00 178.16 176.64 3ice h ASN 361 N 0.04 0.46 0.26 -2.11 2.35 -1.95 -2.49 115.58 112.14 3ice h ASN 361 Ca 0.42 -0.07 -0.08 0.00 -0.55 0.00 0.00 56.30 56.02 3ice h ASN 361 Cb 0.71 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.95 3ice h ASN 361 CO -0.77 0.40 -0.33 0.03 -1.65 0.00 0.00 177.43 175.11 3ice h ARG 362 N 0.48 0.11 -7.03 0.81 3.08 -1.76 -3.44 114.38 106.63 3ice h ARG 362 Ca 0.13 -0.04 -0.51 0.00 0.07 0.00 0.00 59.98 59.63 3ice h ARG 362 Cb 0.03 -0.01 0.08 0.00 0.08 0.00 0.00 29.97 30.15 3ice h ARG 362 CO -0.02 0.43 0.49 -1.12 -1.07 0.00 0.00 179.97 178.67 3ice s SER 363 N -6.91 5.93 0.00 7.04 0.01 -0.74 -4.76 113.70 114.27 3ice s SER 363 Ca -0.04 2.34 0.00 0.00 1.31 0.00 0.00 55.95 59.56 3ice s SER 363 Cb 0.14 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.77 3ice s SER 363 CO 0.74 -1.08 0.00 0.61 0.41 0.00 0.00 173.24 173.92 3ice n GLY 364 N 0.43 2.67 3.44 3.44 0.00 0.62 -4.91 105.19 110.89 3ice n GLY 364 Ca 0.09 -0.42 -0.32 0.00 0.00 0.00 0.00 46.02 45.36 3ice n GLY 364 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ice s THR 365 N -1.90 2.90 0.28 2.61 2.01 -1.26 -0.21 115.64 120.07 3ice s THR 365 Ca 0.00 -0.78 -0.29 0.00 0.31 0.00 0.00 61.69 60.93 3ice s THR 365 Cb 0.00 -2.12 -0.09 0.00 0.01 0.00 0.00 72.50 70.29 3ice s THR 365 CO 0.00 0.59 1.05 -0.60 -0.69 0.00 0.00 174.62 174.97 3ice s ARG 366 N -0.65 4.64 -1.16 4.92 3.52 -0.06 -3.90 118.95 126.26 3ice s ARG 366 Ca 0.10 1.68 -0.06 0.00 -0.13 0.00 0.00 55.73 57.32 3ice s ARG 366 Cb -0.11 -3.13 -0.03 0.00 -1.56 0.00 0.00 34.95 30.13 3ice s ARG 366 CO 0.01 0.25 0.86 1.63 -0.81 0.00 0.00 175.30 177.24 3ice n LYS 367 N 1.10 -3.66 0.09 5.12 4.01 -1.26 -4.89 118.16 118.68 3ice n LYS 367 Ca -0.01 0.73 0.13 0.00 -0.51 0.00 0.00 58.31 58.65 3ice n LYS 367 Cb 0.46 -5.38 0.37 0.00 -0.51 0.00 0.00 35.03 29.97 3ice n LYS 367 CO 0.00 0.00 0.00 -0.85 -1.11 0.00 0.00 177.40 175.44 3ice n GLU 368 N -3.85 0.26 -0.33 1.97 0.28 -1.25 -3.99 120.64 113.73 3ice n GLU 368 Ca -0.18 0.18 -0.04 0.00 -0.16 0.00 0.00 57.16 56.97 3ice n GLU 368 Cb 0.64 -1.77 0.09 0.00 1.43 0.00 0.00 31.44 31.82 3ice n GLU 368 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 177.13 178.02 3ice h GLU 369 N 0.00 1.24 0.00 3.44 4.11 -1.90 0.74 114.58 122.21 3ice h GLU 369 Ca 0.00 -0.14 -0.09 0.00 0.07 0.00 0.00 59.36 59.20 3ice h GLU 369 Cb 0.73 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 3ice h GLU 369 CO 0.00 0.90 -0.45 1.37 0.07 0.00 0.00 179.01 180.90 3ice h LEU 370 N 1.25 0.00 -0.28 3.06 8.10 -1.91 -3.20 115.31 122.32 3ice h LEU 370 Ca 0.32 0.00 -0.18 0.00 0.11 0.00 0.00 57.88 58.13 3ice h LEU 370 Cb 0.01 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.21 3ice h LEU 370 CO -0.05 0.43 -0.84 -0.07 -4.11 0.00 0.00 178.44 173.79 3ice h LEU 371 N 0.00 0.00 -8.89 0.17 4.07 -1.51 -3.46 115.31 105.68 3ice h LEU 371 Ca -0.01 0.00 -0.47 0.00 0.08 0.00 0.00 57.88 57.48 3ice h LEU 371 Cb 1.33 0.00 -0.15 0.00 1.08 0.00 0.00 40.66 42.92 3ice h LEU 371 CO 0.05 0.84 -0.75 0.28 -1.08 0.00 0.00 178.44 177.79 3ice s THR 372 N -3.05 1.79 0.28 0.22 -1.32 0.18 -4.64 115.64 109.11 3ice s THR 372 Ca 0.00 -2.16 -0.16 0.00 -1.21 0.00 0.00 61.69 58.17 3ice s THR 372 Cb 0.11 -2.01 -0.09 0.00 -1.51 0.00 0.00 72.50 69.00 3ice s THR 372 CO 0.80 -0.53 0.71 0.28 -2.21 0.00 0.00 174.62 173.67 3ice s THR 373 N -2.75 4.67 0.27 5.08 -1.32 -1.26 -4.72 115.64 115.61 3ice s THR 373 Ca 0.21 1.00 -0.03 0.00 -1.21 0.00 0.00 61.69 61.66 3ice s THR 373 Cb -0.02 -3.69 0.31 0.00 -1.51 0.00 0.00 72.50 67.60 3ice s THR 373 CO 0.07 -0.05 1.62 0.06 -2.21 0.00 0.00 174.62 174.12 3ice h GLN 374 N 2.66 0.11 -0.24 7.08 -0.00 -1.99 0.36 115.11 123.09 3ice h GLN 374 Ca -0.48 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.16 3ice h GLN 374 Cb 1.18 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.48 28.63 3ice h GLN 374 CO 0.66 0.07 0.13 1.05 -0.00 0.00 0.00 178.83 180.73 3ice h GLU 375 N 0.11 0.33 -0.54 0.06 9.09 -1.99 -0.14 114.58 121.50 3ice h GLU 375 Ca 0.48 -0.04 0.08 0.00 0.05 0.00 0.00 59.36 59.92 3ice h GLU 375 Cb 0.90 -0.06 -0.06 0.00 -1.65 0.00 0.00 28.75 27.88 3ice h GLU 375 CO -0.72 0.31 0.20 1.49 0.05 0.00 0.00 179.01 180.34 3ice h GLU 376 N 0.27 0.37 -0.19 1.06 4.81 -0.76 -0.56 114.58 119.57 3ice h GLU 376 Ca 0.08 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 3ice h GLU 376 Cb 0.08 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 3ice h GLU 376 CO -0.01 0.25 0.08 1.25 -0.73 0.00 0.00 179.01 179.84 3ice h LEU 377 N 0.38 0.26 -0.86 1.64 5.85 -0.62 -2.50 115.31 119.47 3ice h LEU 377 Ca 0.26 -0.15 0.10 0.00 0.84 0.00 0.00 57.88 58.93 3ice h LEU 377 Cb 0.29 -0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.18 3ice h LEU 377 CO -0.26 0.34 0.50 1.56 -0.34 0.00 0.00 178.44 180.24 3ice h GLN 378 N 0.16 0.81 -1.74 1.25 4.20 -0.63 -1.74 115.11 117.41 3ice h GLN 378 Ca 0.06 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3ice h GLN 378 Cb 0.16 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.75 3ice h GLN 378 CO -0.01 0.53 0.00 1.17 -0.67 0.00 0.00 178.83 179.86 3ice n LYS 379 N -4.72 0.22 0.00 1.46 4.81 -0.25 -1.23 118.16 118.45 3ice n LYS 379 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 3ice n LYS 379 Cb 0.29 -1.38 0.00 0.00 0.02 0.00 0.00 35.03 33.96 3ice n LYS 379 CO 0.00 0.00 0.00 0.91 1.17 0.00 0.00 177.40 179.48 3ice n TRP 381 N 0.88 0.00 0.01 5.64 5.03 -0.66 -1.07 117.44 127.27 3ice n TRP 381 Ca 0.00 0.00 0.02 0.00 3.03 0.00 0.00 57.50 60.55 3ice n TRP 381 Cb 0.11 0.00 0.38 0.00 -1.03 0.00 0.00 31.31 30.77 3ice n TRP 381 CO 0.00 0.00 0.00 0.97 -0.03 0.00 0.00 177.69 178.63 3ice h ILE 382 N 0.00 1.14 0.38 -0.99 2.10 -1.45 -0.96 117.51 117.74 3ice h ILE 382 Ca 0.00 -0.47 -0.02 0.00 1.08 0.00 0.00 64.86 65.46 3ice h ILE 382 Cb 0.00 0.74 0.00 0.00 -1.09 0.00 0.00 36.82 36.47 3ice h ILE 382 CO 0.00 0.18 -0.18 0.25 -1.08 0.00 0.00 178.15 177.31 3ice h LEU 383 N 0.50 -0.43 -0.36 2.19 5.85 -1.35 -2.68 115.31 119.02 3ice h LEU 383 Ca 0.12 -0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.87 3ice h LEU 383 Cb 0.12 0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.19 3ice h LEU 383 CO -0.01 -0.22 -0.11 0.03 -0.34 0.00 0.00 178.44 177.79 3ice h ARG 384 N -0.61 -0.02 -0.47 1.25 2.47 -1.77 -2.79 114.38 112.44 3ice h ARG 384 Ca -0.05 0.00 0.09 0.00 -1.26 0.00 0.00 59.98 58.76 3ice h ARG 384 Cb 0.45 0.01 -0.08 0.00 -1.65 0.00 0.00 29.97 28.69 3ice h ARG 384 CO 0.09 -0.02 -0.05 -0.22 0.56 0.00 0.00 179.97 180.33 3ice h LYS 385 N -0.03 0.06 0.00 0.04 3.64 -1.08 -2.29 116.57 116.91 3ice h LYS 385 Ca 0.18 -0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.43 3ice h LYS 385 Cb 0.30 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 3ice h LYS 385 CO -0.39 0.04 -0.59 0.97 -2.27 0.00 0.00 179.45 177.21 3ice h ILE 386 N 0.06 1.20 0.00 2.00 2.10 -1.21 -3.28 117.51 118.37 3ice h ILE 386 Ca 0.23 -2.21 -0.09 0.00 1.08 0.00 0.00 64.86 63.87 3ice h ILE 386 Cb 0.36 2.28 -0.02 0.00 -1.09 0.00 0.00 36.82 38.35 3ice h ILE 386 CO -0.44 0.58 -1.20 0.40 -1.08 0.00 0.00 178.15 176.41 3ice h ILE 387 N 0.00 0.28 -0.81 2.19 5.03 -1.28 -3.39 117.51 119.53 3ice h ILE 387 Ca -0.01 -1.55 0.15 0.00 -0.12 0.00 0.00 64.86 63.33 3ice h ILE 387 Cb 1.23 1.81 -0.15 0.00 -3.03 0.00 0.00 36.82 36.68 3ice h ILE 387 CO 0.08 0.16 -0.27 -0.74 -0.68 0.00 0.00 178.15 176.70 3ice h HIS 388 N 0.00 -0.67 0.00 1.37 2.76 -1.48 -3.44 115.15 113.68 3ice h HIS 388 Ca -0.09 0.08 -0.29 0.00 -2.20 0.00 0.00 60.37 57.87 3ice h HIS 388 Cb 1.32 0.42 -0.02 0.00 1.55 0.00 0.00 27.41 30.68 3ice h HIS 388 CO 0.00 -0.37 1.37 -2.30 -1.30 0.00 0.00 177.93 175.33 3ice n PRO 389 N -5.51 1.97 -4.18 5.26 -0.02 -1.26 -5.07 135.00 126.20 3ice n PRO 389 Ca 0.10 -1.17 -0.23 0.00 -2.02 0.00 0.00 63.50 60.18 3ice n PRO 389 Cb 0.40 -2.19 -0.06 0.00 -0.02 0.00 0.00 33.50 31.63 3ice n PRO 389 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3ice s GLY 391 N 2.64 1.76 0.10 -1.23 0.00 -1.26 -5.13 107.32 104.19 3ice s GLY 391 Ca 0.48 -1.70 -0.28 0.00 0.00 0.00 0.00 44.72 43.22 3ice s GLY 391 CO -0.02 -1.70 1.65 0.83 0.00 0.00 0.00 173.10 173.86 3ice h GLU 392 N 1.68 -0.47 0.29 2.90 5.08 -1.97 0.45 114.58 122.54 3ice h GLU 392 Ca -0.44 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 57.94 3ice h GLU 392 Cb 1.25 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.60 3ice h GLU 392 CO 0.62 -0.32 -0.22 0.82 -1.00 0.00 0.00 179.01 178.91 3ice h ILE 393 N -0.49 0.53 -0.01 3.13 1.08 -1.98 -3.10 117.51 116.67 3ice h ILE 393 Ca -0.00 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.49 3ice h ILE 393 Cb 0.46 0.53 -0.02 0.00 -3.07 0.00 0.00 36.82 34.72 3ice h ILE 393 CO -0.05 0.00 -0.10 0.44 -0.69 0.00 0.00 178.15 177.75 3ice h ASP 394 N -0.52 -0.30 0.00 1.72 3.32 -2.00 -0.68 116.42 117.96 3ice h ASP 394 Ca -0.02 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3ice h ASP 394 Cb 0.45 0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.13 3ice h ASP 394 CO -0.01 -0.15 0.00 0.00 -1.72 0.00 0.00 179.24 177.37 3ice n ALA 395 N -2.36 0.93 0.00 3.45 0.00 0.16 -0.45 120.51 122.23 3ice n ALA 395 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3ice n ALA 395 Cb 0.15 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 18.78 3ice n ALA 395 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3ice n GLU 397 N 0.19 0.00 -0.29 0.00 2.13 -0.26 -0.11 120.64 122.29 3ice n GLU 397 Ca 0.00 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.85 3ice n GLU 397 Cb 0.00 0.00 0.10 0.00 0.27 0.00 0.00 31.44 31.81 3ice n GLU 397 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 3ice h PHE 398 N 0.00 -0.49 -0.50 4.31 3.57 -1.00 0.12 116.94 122.95 3ice h PHE 398 Ca 0.00 0.08 0.01 0.00 3.53 0.00 0.00 57.97 61.59 3ice h PHE 398 Cb 0.00 0.34 -0.03 0.00 2.79 0.00 0.00 35.95 39.05 3ice h PHE 398 CO 0.00 -0.36 0.31 1.25 -2.23 0.00 0.00 178.31 177.28 3ice h LEU 399 N -0.01 0.53 -0.83 0.59 5.85 -0.74 -0.73 115.31 119.96 3ice h LEU 399 Ca 0.39 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 59.06 3ice h LEU 399 Cb 0.61 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 3ice h LEU 399 CO -0.86 0.38 0.25 0.40 -0.34 0.00 0.00 178.44 178.27 3ice h ILE 400 N 0.64 1.26 -0.73 4.05 2.04 -1.44 0.18 117.51 123.50 3ice h ILE 400 Ca 0.19 -0.85 0.02 0.00 1.00 0.00 0.00 64.86 65.22 3ice h ILE 400 Cb -0.03 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 36.43 3ice h ILE 400 CO -0.07 0.34 0.47 0.78 0.00 0.00 0.00 178.15 179.67 3ice h ASN 401 N 1.08 0.79 -0.45 1.72 -0.26 -0.35 0.36 115.58 118.47 3ice h ASN 401 Ca 0.24 -0.01 -0.13 0.00 -0.56 0.00 0.00 56.30 55.84 3ice h ASN 401 Cb 0.26 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.32 3ice h ASN 401 CO -0.01 0.56 -0.21 0.11 -1.06 0.00 0.00 177.43 176.82 3ice h LYS 402 N 0.94 0.96 -0.03 0.81 1.79 -0.61 -3.13 116.57 117.30 3ice h LYS 402 Ca 0.28 -0.40 -0.15 0.00 -2.18 0.00 0.00 60.65 58.20 3ice h LYS 402 Cb -0.04 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.56 3ice h LYS 402 CO -0.09 1.07 -0.67 -0.07 -1.08 0.00 0.00 179.45 178.61 3ice h LEU 403 N 0.83 0.15 -2.74 2.94 3.38 -0.12 -3.37 115.31 116.39 3ice h LEU 403 Ca 0.11 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3ice h LEU 403 Cb 0.77 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.48 3ice h LEU 403 CO 0.06 0.78 0.00 0.00 0.09 0.00 0.00 178.44 179.37 3ice n ALA 404 N -2.45 2.05 -0.34 1.53 0.00 0.12 -4.59 120.51 116.84 3ice n ALA 404 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.13 3ice n ALA 404 Cb 0.66 -1.30 0.28 0.00 0.00 0.00 0.00 19.45 19.10 3ice n ALA 404 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3ice n THR 406 N 1.28 0.00 -1.37 0.00 -2.24 -1.26 -5.11 114.28 105.57 3ice n THR 406 Ca 0.00 -0.25 -0.31 0.00 -2.27 0.00 0.00 64.05 61.22 3ice n THR 406 Cb 0.17 -1.00 0.08 0.00 -2.10 0.00 0.00 70.33 67.48 3ice n THR 406 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3ice s LYS 407 N -4.74 2.33 0.23 -0.78 2.47 -1.26 -4.62 119.74 113.37 3ice s LYS 407 Ca 0.68 1.02 -0.06 0.00 -1.56 0.00 0.00 55.97 56.05 3ice s LYS 407 Cb -0.19 -1.92 0.40 0.00 -1.46 0.00 0.00 37.83 34.66 3ice s LYS 407 CO 0.62 -1.54 1.72 1.79 0.16 0.00 0.00 175.35 178.09 3ice h THR 408 N -1.05 0.65 -0.62 3.43 1.35 -1.98 0.21 112.91 114.90 3ice h THR 408 Ca -0.45 -0.13 -0.07 0.00 -0.55 0.00 0.00 66.41 65.22 3ice h THR 408 Cb 1.23 0.24 -0.02 0.00 -1.73 0.00 0.00 68.15 67.87 3ice h THR 408 CO 0.54 0.07 0.11 0.78 -0.25 0.00 0.00 175.52 176.77 3ice h ASN 409 N 0.37 0.97 0.40 5.36 2.35 -1.99 -1.91 115.58 121.13 3ice h ASN 409 Ca 0.38 -0.25 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 3ice h ASN 409 Cb 0.57 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.69 3ice h ASN 409 CO -0.41 0.98 -0.19 0.44 -1.65 0.00 0.00 177.43 176.60 3ice h ASP 410 N 0.93 -0.46 -0.87 5.81 3.32 -1.35 -1.00 116.42 122.81 3ice h ASP 410 Ca 0.19 -0.08 0.22 0.00 0.02 0.00 0.00 57.03 57.38 3ice h ASP 410 Cb 0.41 0.12 -0.13 0.00 0.22 0.00 0.00 39.33 39.95 3ice h ASP 410 CO 0.01 -0.18 0.29 -0.78 -1.72 0.00 0.00 179.24 176.86 3ice h ASP 411 N -0.73 0.14 -0.50 6.45 1.82 -0.67 0.28 116.42 123.22 3ice h ASP 411 Ca -0.06 0.17 -0.10 0.00 -0.39 0.00 0.00 57.03 56.65 3ice h ASP 411 Cb 0.51 0.20 -0.02 0.00 0.68 0.00 0.00 39.33 40.71 3ice h ASP 411 CO 0.09 -0.08 -0.10 0.15 -1.61 0.00 0.00 179.24 177.69 3ice h PHE 412 N 0.29 1.05 -0.32 0.28 3.57 -1.09 -2.73 116.94 117.99 3ice h PHE 412 Ca 0.54 -0.22 -0.07 0.00 3.53 0.00 0.00 57.97 61.75 3ice h PHE 412 Cb 1.05 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.51 3ice h PHE 412 CO -0.21 1.00 -0.09 0.74 -2.23 0.00 0.00 178.31 177.52 3ice h PHE 413 N 0.80 0.58 0.00 0.41 0.04 0.27 -3.51 116.94 115.51 3ice h PHE 413 Ca 0.13 -0.08 0.00 0.00 2.80 0.00 0.00 57.97 60.82 3ice h PHE 413 Cb 0.65 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 38.64 3ice h PHE 413 CO 0.05 0.62 0.00 0.39 -0.60 0.00 0.00 178.31 178.77