#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 -1.65 -0.58 3.41 7.12 -1.48 -0.74 115.31 121.39 3ice h LEU 3 Ca 0.00 0.24 0.11 0.00 0.13 0.00 0.00 57.88 58.36 3ice h LEU 3 Cb 0.00 0.71 -0.11 0.00 -0.53 0.00 0.00 40.66 40.72 3ice h LEU 3 CO 0.00 -0.24 -0.23 0.74 -0.13 0.00 0.00 178.44 178.58 3ice h THR 4 N -0.13 0.29 -0.02 1.05 2.02 -1.95 0.12 112.91 114.30 3ice h THR 4 Ca 0.10 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.28 3ice h THR 4 Cb 0.39 0.29 -0.00 0.00 -1.74 0.00 0.00 68.15 67.09 3ice h THR 4 CO -0.64 0.00 0.01 -0.33 0.37 0.00 0.00 175.52 174.93 3ice h GLU 5 N -0.09 0.03 -0.56 6.66 5.08 -1.69 -1.79 114.58 122.22 3ice h GLU 5 Ca 0.27 -0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.77 3ice h GLU 5 Cb 0.50 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 3ice h GLU 5 CO -0.64 0.15 0.40 -0.07 -1.00 0.00 0.00 179.01 177.84 3ice h LEU 6 N -0.10 0.10 -0.02 1.33 4.07 0.08 -0.32 115.31 120.45 3ice h LEU 6 Ca 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.96 3ice h LEU 6 Cb 0.13 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.86 3ice h LEU 6 CO -0.00 0.06 -0.04 0.11 -1.08 0.00 0.00 178.44 177.48 3ice h LYS 7 N 0.11 0.06 0.00 1.13 1.79 0.02 -3.23 116.57 116.46 3ice h LYS 7 Ca 0.27 -0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 58.67 3ice h LYS 7 Cb 0.92 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.57 3ice h LYS 7 CO -0.03 0.62 -0.14 -2.95 -1.08 0.00 0.00 179.45 175.87 3ice h ASN 8 N -0.49 0.00 -2.80 0.86 7.08 -0.98 -3.45 115.58 115.80 3ice h ASN 8 Ca 0.00 0.00 -0.58 0.00 -3.08 0.00 0.00 56.30 52.64 3ice h ASN 8 Cb 0.62 0.00 0.09 0.00 -2.08 0.00 0.00 38.32 36.95 3ice h ASN 8 CO 0.01 0.14 0.63 0.41 -2.08 0.00 0.00 177.43 176.54 3ice n THR 9 N -3.20 1.07 -1.76 6.14 -1.04 -0.17 -4.92 114.28 110.41 3ice n THR 9 Ca 0.02 -0.27 -0.41 0.00 -2.04 0.00 0.00 64.05 61.35 3ice n THR 9 Cb 0.47 -1.54 0.01 0.00 -1.82 0.00 0.00 70.33 67.45 3ice n THR 9 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3ice n PRO 10 N 1.89 2.44 -0.22 -2.82 -0.02 -1.26 -4.92 135.00 130.09 3ice n PRO 10 Ca 0.11 0.86 0.02 0.00 -2.02 0.00 0.00 63.50 62.46 3ice n PRO 10 Cb 0.32 -2.61 0.13 0.00 -0.02 0.00 0.00 33.50 31.33 3ice n PRO 10 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3ice h VAL 11 N 2.64 0.69 -0.04 -1.45 2.07 -1.94 -2.64 116.25 115.58 3ice h VAL 11 Ca -0.50 -0.12 -0.18 0.00 0.82 0.00 0.00 66.70 66.72 3ice h VAL 11 Cb 1.26 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 3ice h VAL 11 CO 0.63 0.07 -0.75 0.77 0.02 0.00 0.00 177.57 178.30 3ice h SER 12 N 0.36 0.32 0.98 0.57 4.64 -2.03 -3.36 113.55 115.03 3ice h SER 12 Ca 0.34 -0.22 -0.05 0.00 -0.47 0.00 0.00 61.79 61.39 3ice h SER 12 Cb 0.48 -0.09 0.01 0.00 -0.31 0.00 0.00 62.40 62.49 3ice h SER 12 CO -0.37 0.96 -0.47 -0.08 -0.87 0.00 0.00 176.83 176.00 3ice h GLU 13 N 0.17 -1.26 0.00 4.77 4.81 -1.85 -2.95 114.58 118.26 3ice h GLU 13 Ca -0.03 0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3ice h GLU 13 Cb 1.33 0.29 0.00 0.00 0.63 0.00 0.00 28.75 30.99 3ice h GLU 13 CO 0.12 -0.84 0.00 1.47 -0.73 0.00 0.00 179.01 179.03 3ice n LEU 14 N -5.56 0.00 -0.12 1.64 -0.00 -1.22 -3.04 117.00 108.69 3ice n LEU 14 Ca -0.16 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 55.81 3ice n LEU 14 Cb 0.52 0.00 0.18 0.00 -0.00 0.00 0.00 43.42 44.11 3ice n LEU 14 CO 0.39 0.00 0.93 -0.29 -0.00 0.00 0.00 177.39 178.43 3ice h ILE 15 N 0.00 1.23 0.50 1.47 6.09 -1.66 -2.15 117.51 123.00 3ice h ILE 15 Ca 0.00 -0.90 -0.02 0.00 -1.37 0.00 0.00 64.86 62.58 3ice h ILE 15 Cb 0.00 0.76 -0.01 0.00 0.47 0.00 0.00 36.82 38.04 3ice h ILE 15 CO 0.00 0.33 -0.36 0.71 -3.07 0.00 0.00 178.15 175.76 3ice h THR 16 N 0.78 0.27 -0.93 2.19 1.35 -1.76 -2.61 112.91 112.20 3ice h THR 16 Ca 0.16 0.00 0.25 0.00 -0.55 0.00 0.00 66.41 66.27 3ice h THR 16 Cb 0.36 0.27 -0.17 0.00 -1.73 0.00 0.00 68.15 66.89 3ice h THR 16 CO 0.01 0.00 0.04 0.25 -0.25 0.00 0.00 175.52 175.56 3ice h LEU 17 N -0.83 -0.42 -0.55 3.87 6.46 -1.73 -2.56 115.31 119.54 3ice h LEU 17 Ca -0.05 0.26 0.11 0.00 -0.12 0.00 0.00 57.88 58.07 3ice h LEU 17 Cb 0.70 0.44 -0.09 0.00 -0.73 0.00 0.00 40.66 40.98 3ice h LEU 17 CO 0.03 -0.30 -0.01 1.23 -0.62 0.00 0.00 178.44 178.76 3ice h GLY 18 N 0.05 0.56 1.39 3.75 0.00 -0.99 -2.52 103.07 105.31 3ice h GLY 18 Ca 0.55 0.08 -0.17 0.00 0.00 0.00 0.00 47.33 47.80 3ice h GLY 18 CO -0.85 -0.17 -0.57 0.83 0.00 0.00 0.00 176.54 175.78 3ice h GLU 19 N 0.10 0.63 0.00 4.80 4.39 -1.50 -3.52 114.58 119.49 3ice h GLU 19 Ca 0.28 -0.41 0.00 0.00 0.34 0.00 0.00 59.36 59.57 3ice h GLU 19 Cb 0.44 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 3ice h GLU 19 CO -0.48 1.03 0.00 0.09 -1.16 0.00 0.00 179.01 178.49 3ice n ASN 20 N -3.96 0.00 0.00 1.42 4.13 -0.96 -5.18 115.26 110.71 3ice n ASN 20 Ca -0.04 0.37 0.00 0.00 1.68 0.00 0.00 54.58 56.59 3ice n ASN 20 Cb 0.62 -0.40 0.00 0.00 -1.54 0.00 0.00 39.78 38.46 3ice n ASN 20 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 3ice n ARG 30 N -1.40 0.00 -0.18 3.52 0.63 -1.26 -5.13 116.66 112.83 3ice n ARG 30 Ca 0.02 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.85 3ice n ARG 30 Cb 0.06 0.00 0.01 0.00 0.45 0.00 0.00 32.46 32.98 3ice n ARG 30 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 3ice h LYS 31 N 0.00 0.94 -0.75 -0.14 3.64 -2.01 0.21 116.57 118.45 3ice h LYS 31 Ca 0.00 -0.31 -0.05 0.00 -1.27 0.00 0.00 60.65 59.02 3ice h LYS 31 Cb 0.00 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.71 3ice h LYS 31 CO 0.00 0.96 0.27 0.37 -2.27 0.00 0.00 179.45 178.79 3ice h GLN 32 N 0.81 1.14 -0.34 1.90 5.75 -2.03 0.22 115.11 122.55 3ice h GLN 32 Ca 0.15 -0.22 0.02 0.00 -0.15 0.00 0.00 58.65 58.45 3ice h GLN 32 Cb 0.55 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 28.90 3ice h GLN 32 CO 0.03 0.94 0.18 0.22 -2.65 0.00 0.00 178.83 177.56 3ice h ASP 33 N 1.11 0.28 -0.23 -0.69 1.82 -1.92 -1.49 116.42 115.30 3ice h ASP 33 Ca 0.25 0.01 -0.03 0.00 -0.39 0.00 0.00 57.03 56.87 3ice h ASP 33 Cb 0.25 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 40.21 3ice h ASP 33 CO -0.02 0.20 0.01 0.40 -1.61 0.00 0.00 179.24 178.23 3ice h ILE 34 N 0.37 1.25 -0.59 2.25 2.04 -0.00 0.96 117.51 123.78 3ice h ILE 34 Ca 0.14 -0.85 0.09 0.00 1.00 0.00 0.00 64.86 65.24 3ice h ILE 34 Cb 0.04 1.34 -0.07 0.00 -0.74 0.00 0.00 36.82 37.39 3ice h ILE 34 CO -0.09 0.26 0.23 0.40 0.00 0.00 0.00 178.15 178.96 3ice h ILE 35 N 0.19 0.79 0.09 -0.67 1.08 -0.44 1.44 117.51 119.99 3ice h ILE 35 Ca 0.07 -0.14 0.01 0.00 -0.39 0.00 0.00 64.86 64.40 3ice h ILE 35 Cb 0.38 0.34 -0.02 0.00 -3.07 0.00 0.00 36.82 34.45 3ice h ILE 35 CO 0.01 0.08 -0.14 -0.26 -0.69 0.00 0.00 178.15 177.15 3ice h PHE 36 N 0.42 -0.35 -0.13 1.37 0.05 -0.97 -0.98 116.94 116.34 3ice h PHE 36 Ca 0.30 0.01 0.05 0.00 3.82 0.00 0.00 57.97 62.14 3ice h PHE 36 Cb 0.34 0.14 -0.06 0.00 2.00 0.00 0.00 35.95 38.37 3ice h PHE 36 CO -0.16 -0.21 -0.31 0.00 -0.18 0.00 0.00 178.31 177.45 3ice h ALA 37 N 0.60 -0.36 -0.80 2.45 0.00 0.63 -1.61 119.26 120.17 3ice h ALA 37 Ca 0.02 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.01 3ice h ALA 37 Cb 0.28 0.60 -0.06 0.00 0.00 0.00 0.00 17.79 18.62 3ice h ALA 37 CO -0.07 -0.79 0.49 0.82 0.00 0.00 0.00 179.25 179.70 3ice h ILE 38 N -0.39 1.04 -0.45 0.00 5.03 0.23 -1.05 117.51 121.92 3ice h ILE 38 Ca 0.10 -0.31 -0.12 0.00 -0.12 0.00 0.00 64.86 64.40 3ice h ILE 38 Cb 0.54 0.05 -0.01 0.00 -3.03 0.00 0.00 36.82 34.37 3ice h ILE 38 CO -0.35 0.17 -0.20 -0.07 -0.68 0.00 0.00 178.15 177.01 3ice h LEU 39 N 0.91 0.95 -1.47 1.44 3.38 -1.02 -2.57 115.31 116.93 3ice h LEU 39 Ca 0.34 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 3ice h LEU 39 Cb 0.14 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3ice h LEU 39 CO -0.16 1.14 -0.01 0.07 0.09 0.00 0.00 178.44 179.57 3ice h LYS 40 N 0.76 0.33 0.00 1.13 2.10 -0.21 0.16 116.57 120.84 3ice h LYS 40 Ca 0.10 -0.06 -0.09 0.00 -2.00 0.00 0.00 60.65 58.60 3ice h LYS 40 Cb 0.77 -0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 32.03 3ice h LYS 40 CO 0.06 0.37 -0.45 1.96 -2.00 0.00 0.00 179.45 179.39 3ice h GLN 41 N 0.32 0.00 0.00 0.07 7.50 -1.30 -0.52 115.11 121.18 3ice h GLN 41 Ca 0.07 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.22 3ice h GLN 41 Cb 0.24 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.77 3ice h GLN 41 CO 0.01 0.45 0.00 1.25 -1.50 0.00 0.00 178.83 179.04 3ice h HIS 42 N 0.00 0.00 0.00 2.96 2.76 -0.45 -3.23 115.15 117.19 3ice h HIS 42 Ca -0.00 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.14 3ice h HIS 42 Cb 1.22 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.17 3ice h HIS 42 CO 0.00 0.00 -1.96 0.00 -1.30 0.00 0.00 177.93 174.67 3ice n ALA 43 N -2.08 2.72 0.04 5.26 0.00 0.32 -2.64 120.51 124.12 3ice n ALA 43 Ca 0.02 -0.55 -0.11 0.00 0.00 0.00 0.00 53.44 52.80 3ice n ALA 43 Cb 0.39 -0.74 -0.04 0.00 0.00 0.00 0.00 19.45 19.06 3ice n ALA 43 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3ice h LYS 44 N 0.00 -0.38 0.00 0.00 1.57 -1.11 -1.97 116.57 114.68 3ice h LYS 44 Ca -0.03 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3ice h LYS 44 Cb 1.07 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.47 3ice h LYS 44 CO 0.00 -0.25 0.00 0.43 -0.57 0.00 0.00 179.45 179.06 3ice n SER 45 N -5.39 0.55 0.00 0.86 7.64 -1.26 -4.87 113.62 111.16 3ice n SER 45 Ca -0.04 0.58 0.00 0.00 1.01 0.00 0.00 58.87 60.42 3ice n SER 45 Cb 0.30 -0.72 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 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 0.88 0.78 3.77 0.23 0.00 -0.74 -5.08 105.19 105.02 3ice n GLY 46 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3ice n GLY 46 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ice s GLU 47 N -0.68 4.18 0.83 1.61 8.01 -1.08 -4.96 118.70 126.61 3ice s GLU 47 Ca 0.00 2.46 -0.11 0.00 0.01 0.00 0.00 54.97 57.33 3ice s GLU 47 Cb 0.00 -3.02 0.09 0.00 -4.31 0.00 0.00 34.13 26.89 3ice s GLU 47 CO 0.00 -0.47 1.10 -0.51 0.01 0.00 0.00 175.26 175.39 3ice s ASP 48 N 0.01 3.98 0.14 -0.19 1.01 -1.26 -4.07 116.67 116.28 3ice s ASP 48 Ca 0.55 1.76 0.08 0.00 0.71 0.00 0.00 52.55 55.66 3ice s ASP 48 Cb -0.45 -2.42 -0.04 0.00 1.01 0.00 0.00 42.92 41.02 3ice s ASP 48 CO 0.55 -2.36 -0.20 -0.63 0.21 0.00 0.00 175.17 172.74 3ice s ILE 49 N -2.88 1.77 -0.03 0.77 1.09 -1.26 -4.89 121.20 115.79 3ice s ILE 49 Ca 0.62 -1.74 0.00 0.00 -1.10 0.00 0.00 60.65 58.43 3ice s ILE 49 Cb -0.18 -1.71 0.03 0.00 -1.06 0.00 0.00 42.46 39.53 3ice s ILE 49 CO 0.57 -0.19 0.01 -0.36 -0.10 0.00 0.00 174.94 174.86 3ice s PHE 50 N -1.63 0.23 0.37 3.97 0.08 -1.26 -3.17 117.98 116.57 3ice s PHE 50 Ca 0.11 0.04 0.04 0.00 0.12 0.00 0.00 56.93 57.24 3ice s PHE 50 Cb -0.08 -0.35 -0.03 0.00 -0.57 0.00 0.00 43.02 41.99 3ice s PHE 50 CO 0.05 -0.11 0.14 0.20 -0.10 0.00 0.00 175.22 175.40 3ice s GLY 51 N 1.00 2.41 0.00 4.36 0.00 -1.25 -1.04 107.32 112.79 3ice s GLY 51 Ca -0.10 -1.51 -0.22 0.00 0.00 0.00 0.00 44.72 42.90 3ice s GLY 51 CO -0.02 -1.74 0.49 0.51 0.00 0.00 0.00 173.10 172.34 3ice s ASP 52 N -3.52 -0.41 -0.05 1.64 1.47 -1.26 -3.83 116.67 110.70 3ice s ASP 52 Ca 0.29 0.28 -0.28 0.00 1.18 0.00 0.00 52.55 54.02 3ice s ASP 52 Cb 0.04 0.44 0.09 0.00 -0.34 0.00 0.00 42.92 43.15 3ice s ASP 52 CO 0.16 -0.60 1.28 0.61 0.68 0.00 0.00 175.17 177.30 3ice n GLY 53 N 0.82 0.16 3.33 2.12 0.00 -0.99 -4.88 105.19 105.75 3ice n GLY 53 Ca -0.19 -1.02 -0.35 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.01 3.47 0.33 1.61 1.01 -0.73 -1.22 120.40 122.86 3ice s VAL 54 Ca 0.30 -0.46 -0.29 0.00 0.00 0.00 0.00 61.98 61.53 3ice s VAL 54 Cb -0.00 -2.58 -0.10 0.00 0.00 0.00 0.00 36.38 33.69 3ice s VAL 54 CO -0.02 0.42 1.37 -1.48 0.00 0.00 0.00 175.10 175.40 3ice s LEU 55 N 1.41 4.39 -0.39 3.92 0.05 -0.29 -1.15 118.68 126.62 3ice s LEU 55 Ca 0.05 2.77 0.02 0.00 0.05 0.00 0.00 54.13 57.02 3ice s LEU 55 Cb -0.14 -3.65 0.12 0.00 -2.05 0.00 0.00 46.19 40.46 3ice s LEU 55 CO -0.02 -0.64 0.15 -0.70 -0.55 0.00 0.00 176.35 174.59 3ice s GLU 56 N -1.62 1.34 0.42 1.48 2.12 0.12 -1.14 118.70 121.42 3ice s GLU 56 Ca 0.52 -1.86 -0.25 0.00 0.36 0.00 0.00 54.97 53.73 3ice s GLU 56 Cb -0.42 -2.71 -0.10 0.00 0.26 0.00 0.00 34.13 31.17 3ice s GLU 56 CO 0.54 -1.04 1.24 -0.89 -0.54 0.00 0.00 175.26 174.57 3ice n ILE 57 N 3.99 2.53 -4.76 -3.70 5.41 -1.26 -2.58 119.36 118.98 3ice n ILE 57 Ca 0.04 -0.50 -0.33 0.00 1.00 0.00 0.00 62.75 62.96 3ice n ILE 57 Cb 0.38 -1.52 -0.07 0.00 -0.71 0.00 0.00 39.64 37.71 3ice n ILE 57 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 3ice s LEU 58 N -1.54 2.26 0.26 1.39 1.43 -0.69 -4.93 118.68 116.86 3ice s LEU 58 Ca 0.61 -1.67 -0.04 0.00 -1.03 0.00 0.00 54.13 52.00 3ice s LEU 58 Cb -0.52 -0.71 0.32 0.00 0.03 0.00 0.00 46.19 45.32 3ice s LEU 58 CO 0.58 -0.88 1.90 -0.61 0.23 0.00 0.00 176.35 177.57 3ice h GLN 59 N 1.34 1.15 0.00 1.70 4.15 -1.95 -0.88 115.11 120.62 3ice h GLN 59 Ca -0.44 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 58.86 3ice h GLN 59 Cb 1.32 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 28.78 3ice h GLN 59 CO 0.73 0.83 0.00 -0.44 -1.93 0.00 0.00 178.83 178.02 3ice h ASP 60 N 1.16 0.00 0.00 -0.69 5.19 -2.02 -3.45 116.42 116.61 3ice h ASP 60 Ca 0.30 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.71 3ice h ASP 60 Cb -0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 3ice h ASP 60 CO -0.05 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.68 3ice n GLY 61 N -0.69 2.10 3.94 2.75 0.00 -0.33 -5.04 105.19 107.91 3ice n GLY 61 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.48 3.49 0.22 1.61 -0.00 -1.26 -4.34 117.98 115.22 3ice s PHE 62 Ca 0.00 0.14 0.05 0.00 -0.00 0.00 0.00 56.93 57.12 3ice s PHE 62 Cb 0.00 -1.69 -0.05 0.00 -0.00 0.00 0.00 43.02 41.28 3ice s PHE 62 CO 0.00 0.50 -0.04 0.20 -0.00 0.00 0.00 175.22 175.88 3ice s GLY 63 N -3.21 1.52 0.40 1.99 0.00 -1.05 -1.71 107.32 105.25 3ice s GLY 63 Ca 0.35 -1.74 0.08 0.00 0.00 0.00 0.00 44.72 43.40 3ice s GLY 63 CO 0.29 -1.70 0.26 -1.36 0.00 0.00 0.00 173.10 170.59 3ice s PHE 64 N -3.29 2.68 -0.36 1.90 0.08 -1.07 -0.26 117.98 117.66 3ice s PHE 64 Ca 0.26 -0.50 -0.05 0.00 0.12 0.00 0.00 56.93 56.76 3ice s PHE 64 Cb 0.04 -1.99 0.06 0.00 -0.57 0.00 0.00 43.02 40.57 3ice s PHE 64 CO 0.08 0.09 0.14 -0.51 -0.10 0.00 0.00 175.22 174.91 3ice s LEU 65 N -3.99 4.60 0.48 -0.37 1.43 -0.76 0.15 118.68 120.23 3ice s LEU 65 Ca 0.43 -1.43 -0.19 0.00 -1.03 0.00 0.00 54.13 51.91 3ice s LEU 65 Cb -0.00 -1.85 -0.09 0.00 0.03 0.00 0.00 46.19 44.27 3ice s LEU 65 CO 0.25 -0.40 0.99 -0.13 0.23 0.00 0.00 176.35 177.28 3ice s ARG 66 N 1.32 3.99 0.21 1.70 1.81 -0.30 -3.90 118.95 123.78 3ice s ARG 66 Ca 0.01 1.12 0.08 0.00 -1.72 0.00 0.00 55.73 55.22 3ice s ARG 66 Cb -0.21 -2.14 -0.04 0.00 -0.45 0.00 0.00 34.95 32.11 3ice s ARG 66 CO 0.00 -0.24 -0.02 -1.54 -0.68 0.00 0.00 175.30 172.82 3ice s SER 67 N -2.47 4.57 0.24 0.23 1.04 -1.26 -1.77 113.70 114.28 3ice s SER 67 Ca 0.62 -0.52 0.07 0.00 0.48 0.00 0.00 55.95 56.60 3ice s SER 67 Cb -0.11 -0.89 0.26 0.00 0.10 0.00 0.00 66.02 65.39 3ice s SER 67 CO 0.22 0.06 1.56 0.00 0.98 0.00 0.00 173.24 176.06 3ice h ALA 68 N 2.47 0.87 -0.10 5.32 0.00 -1.96 0.25 119.26 126.10 3ice h ALA 68 Ca -0.46 -0.58 -0.08 0.00 0.00 0.00 0.00 54.91 53.79 3ice h ALA 68 Cb 1.22 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3ice h ALA 68 CO 0.58 0.78 -0.32 0.38 0.00 0.00 0.00 179.25 180.66 3ice h ASP 69 N 0.09 0.19 0.34 0.00 3.04 -2.00 0.13 116.42 118.21 3ice h ASP 69 Ca -0.01 -0.07 0.00 0.00 -3.24 0.00 0.00 57.03 53.71 3ice h ASP 69 Cb 1.15 -0.05 0.00 0.00 -1.04 0.00 0.00 39.33 39.39 3ice h ASP 69 CO 0.09 0.51 0.00 -1.20 -2.04 0.00 0.00 179.24 176.61 3ice n SER 70 N -4.11 0.00 -2.91 4.15 7.64 -1.13 -4.86 113.62 112.40 3ice n SER 70 Ca -0.01 -0.28 -0.22 0.00 1.01 0.00 0.00 58.87 59.37 3ice n SER 70 Cb 0.41 -0.21 0.02 0.00 -1.01 0.00 0.00 64.21 63.42 3ice n SER 70 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3ice n SER 71 N -1.21 -5.58 -1.19 6.43 3.41 0.03 -1.10 113.62 114.42 3ice n SER 71 Ca 0.14 -0.22 -0.13 0.00 -0.26 0.00 0.00 58.87 58.41 3ice n SER 71 Cb 0.17 -4.56 -0.03 0.00 -0.26 0.00 0.00 64.21 59.53 3ice n SER 71 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3ice n TYR 72 N -4.26 -0.27 -1.72 7.33 4.01 0.06 -4.83 117.16 117.49 3ice n TYR 72 Ca -0.13 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.31 3ice n TYR 72 Cb 0.62 -2.53 0.05 0.00 -0.31 0.00 0.00 39.34 37.17 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 -3.23 2.96 -0.16 7.72 0.20 -0.26 -4.89 118.68 121.02 3ice s LEU 73 Ca 0.00 1.36 -0.40 0.00 0.69 0.00 0.00 54.13 55.79 3ice s LEU 73 Cb 0.00 -4.19 -0.17 0.00 -0.43 0.00 0.00 46.19 41.40 3ice s LEU 73 CO 0.00 -1.42 1.55 0.00 -0.29 0.00 0.00 176.35 176.19 3ice n ALA 74 N -3.09 -0.80 -2.92 5.97 0.00 -1.26 -4.64 120.51 113.78 3ice n ALA 74 Ca 0.07 0.45 -0.28 0.00 0.00 0.00 0.00 53.44 53.69 3ice n ALA 74 Cb 0.55 -2.12 -0.16 0.00 0.00 0.00 0.00 19.45 17.72 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 2.25 1.04 0.47 0.00 0.00 -1.26 -5.03 107.32 104.80 3ice s GLY 75 Ca 0.94 -0.79 0.14 0.00 0.00 0.00 0.00 44.72 45.01 3ice s GLY 75 CO 0.60 -0.40 2.07 -2.55 0.00 0.00 0.00 173.10 172.82 3ice h PRO 76 N 6.28 0.05 -0.57 2.90 0.11 -1.99 -2.63 132.00 136.15 3ice h PRO 76 Ca -0.31 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3ice h PRO 76 Cb 1.18 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3ice h PRO 76 CO 0.47 0.12 0.00 -0.25 -0.21 0.00 0.00 178.00 178.14 3ice n ASP 77 N -4.43 3.15 -4.76 -2.05 8.00 -1.26 -4.79 116.55 110.41 3ice n ASP 77 Ca -0.02 -2.22 -0.33 0.00 0.71 0.00 0.00 54.79 52.92 3ice n ASP 77 Cb 0.16 -0.43 0.06 0.00 -0.02 0.00 0.00 41.12 40.88 3ice n ASP 77 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3ice s ASP 78 N -0.82 4.93 -0.32 -2.24 1.01 -0.99 -4.82 116.67 113.42 3ice s ASP 78 Ca 0.34 2.08 -0.11 0.00 0.71 0.00 0.00 52.55 55.57 3ice s ASP 78 Cb 0.21 -2.56 -0.01 0.00 1.01 0.00 0.00 42.92 41.56 3ice s ASP 78 CO 0.18 -1.75 0.19 -0.63 0.21 0.00 0.00 175.17 173.37 3ice s ILE 79 N -2.24 4.91 0.49 0.77 1.01 -1.25 -3.43 121.20 121.46 3ice s ILE 79 Ca 0.69 -0.30 -0.24 0.00 0.00 0.00 0.00 60.65 60.80 3ice s ILE 79 Cb -0.22 -3.50 -0.07 0.00 0.01 0.00 0.00 42.46 38.68 3ice s ILE 79 CO 0.42 0.05 1.37 -0.47 0.00 0.00 0.00 174.94 176.31 3ice s TYR 80 N 1.67 2.44 -0.21 3.97 5.04 0.70 -1.82 117.35 129.13 3ice s TYR 80 Ca 0.05 1.34 -0.00 0.00 -2.44 0.00 0.00 57.07 56.02 3ice s TYR 80 Cb -0.17 -3.81 0.06 0.00 0.35 0.00 0.00 41.96 38.38 3ice s TYR 80 CO 0.08 -2.76 -0.03 0.08 -1.34 0.00 0.00 175.55 171.58 3ice s VAL 81 N -1.27 1.20 0.27 3.14 1.01 0.64 -1.25 120.40 124.14 3ice s VAL 81 Ca 0.65 -0.95 -0.30 0.00 0.00 0.00 0.00 61.98 61.38 3ice s VAL 81 Cb -0.41 -1.51 -0.12 0.00 0.00 0.00 0.00 36.38 34.34 3ice s VAL 81 CO 0.51 -0.09 1.57 -1.54 0.00 0.00 0.00 175.10 175.55 3ice n SER 82 N 4.80 3.65 0.16 3.32 3.41 -1.26 -2.53 113.62 125.18 3ice n SER 82 Ca -0.11 1.14 0.19 0.00 -0.26 0.00 0.00 58.87 59.82 3ice n SER 82 Cb 0.45 -1.56 0.76 0.00 -0.26 0.00 0.00 64.21 63.61 3ice n SER 82 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3ice h PRO 83 N 4.88 0.00 -0.13 4.33 0.11 -1.95 -0.12 132.00 139.11 3ice h PRO 83 Ca -0.46 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.68 3ice h PRO 83 Cb 1.23 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.31 3ice h PRO 83 CO 0.80 0.00 -0.08 0.77 -0.21 0.00 0.00 178.00 179.28 3ice h SER 84 N 0.00 -0.27 -0.39 -2.05 0.02 -1.92 -1.86 113.55 107.09 3ice h SER 84 Ca 0.14 0.06 -0.09 0.00 -0.84 0.00 0.00 61.79 61.06 3ice h SER 84 Cb 0.97 0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.64 3ice h SER 84 CO -0.00 -0.11 -0.10 1.56 -1.14 0.00 0.00 176.83 177.04 3ice h GLN 85 N -0.08 0.75 -0.37 3.45 4.20 -1.38 -2.69 115.11 118.99 3ice h GLN 85 Ca 0.08 -0.29 0.08 0.00 0.06 0.00 0.00 58.65 58.58 3ice h GLN 85 Cb 0.20 -0.04 -0.08 0.00 0.30 0.00 0.00 27.48 27.86 3ice h GLN 85 CO -0.19 0.89 -0.17 0.82 -0.67 0.00 0.00 178.83 179.51 3ice h ILE 86 N 0.55 0.47 -0.69 2.54 2.04 -1.25 0.15 117.51 121.32 3ice h ILE 86 Ca 0.10 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.04 3ice h ILE 86 Cb 0.62 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 3ice h ILE 86 CO 0.04 0.00 0.46 0.03 0.00 0.00 0.00 178.15 178.68 3ice h ARG 87 N -0.11 0.63 -0.93 2.37 2.47 -1.25 0.93 114.38 118.49 3ice h ARG 87 Ca 0.18 -0.04 0.07 0.00 -1.26 0.00 0.00 59.98 58.93 3ice h ARG 87 Cb 0.39 -0.14 -0.07 0.00 -1.65 0.00 0.00 29.97 28.51 3ice h ARG 87 CO -0.44 0.41 0.59 -0.09 0.56 0.00 0.00 179.97 181.00 3ice h ARG 88 N 0.64 1.03 0.00 0.04 2.43 -0.36 -2.65 114.38 115.52 3ice h ARG 88 Ca 0.31 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.42 3ice h ARG 88 Cb 0.37 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3ice h ARG 88 CO -0.10 0.68 -0.11 1.19 -1.51 0.00 0.00 179.97 180.11 3ice n PHE 89 N -4.57 0.00 -4.11 2.20 3.72 -0.92 -5.01 117.46 108.78 3ice n PHE 89 Ca 0.14 -1.03 -0.32 0.00 -0.05 0.00 0.00 57.45 56.19 3ice n PHE 89 Cb 0.19 -0.16 -0.06 0.00 -0.94 0.00 0.00 39.48 38.51 3ice n PHE 89 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 3ice n ASN 90 N -1.30 -0.39 -4.67 4.37 6.94 0.31 -4.84 115.26 115.69 3ice n ASN 90 Ca 0.16 -1.15 -0.29 0.00 -0.02 0.00 0.00 54.58 53.27 3ice n ASN 90 Cb 0.66 -1.42 0.17 0.00 -2.36 0.00 0.00 39.78 36.83 3ice n ASN 90 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3ice s LEU 91 N -7.02 1.72 0.05 -4.53 1.43 -0.72 -5.00 118.68 104.61 3ice s LEU 91 Ca 0.12 1.33 -0.04 0.00 -1.03 0.00 0.00 54.13 54.52 3ice s LEU 91 Cb -0.07 -3.56 -0.02 0.00 0.03 0.00 0.00 46.19 42.57 3ice s LEU 91 CO 0.89 -3.12 0.06 -0.13 0.23 0.00 0.00 176.35 174.28 3ice s ARG 92 N -4.89 0.60 0.29 1.70 0.52 -1.26 -4.97 118.95 110.95 3ice s ARG 92 Ca 0.65 -0.91 -0.29 0.00 -0.52 0.00 0.00 55.73 54.66 3ice s ARG 92 Cb -0.19 0.23 -0.13 0.00 0.52 0.00 0.00 34.95 35.38 3ice s ARG 92 CO 0.58 -0.14 1.26 2.41 0.02 0.00 0.00 175.30 179.43 3ice n THR 93 N 0.53 1.65 0.00 0.02 -1.04 -1.26 -2.45 114.28 111.73 3ice n THR 93 Ca -0.17 -0.41 0.00 0.00 -2.04 0.00 0.00 64.05 61.42 3ice n THR 93 Cb 0.59 -1.40 0.00 0.00 -1.82 0.00 0.00 70.33 67.70 3ice n THR 93 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ice n GLY 94 N 1.31 1.96 3.77 3.41 0.00 -0.29 -4.61 105.19 110.74 3ice n GLY 94 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.55 6.58 -0.15 1.61 1.11 -1.03 -4.20 116.67 119.04 3ice s ASP 95 Ca 0.00 2.80 -0.19 0.00 0.18 0.00 0.00 52.55 55.34 3ice s ASP 95 Cb 0.00 -2.65 -0.04 0.00 1.07 0.00 0.00 42.92 41.30 3ice s ASP 95 CO 0.00 -0.68 0.53 0.42 1.18 0.00 0.00 175.17 176.62 3ice s THR 96 N -1.15 5.13 0.09 -1.27 -4.23 -1.26 -1.14 115.64 111.80 3ice s THR 96 Ca 0.51 1.02 0.06 0.00 -1.18 0.00 0.00 61.69 62.11 3ice s THR 96 Cb -0.42 -3.86 -0.03 0.00 1.34 0.00 0.00 72.50 69.53 3ice s THR 96 CO 0.56 0.24 -0.17 -0.63 -0.54 0.00 0.00 174.62 174.08 3ice s ILE 97 N 1.17 1.36 -0.07 2.99 1.09 -0.36 -0.90 121.20 126.47 3ice s ILE 97 Ca 0.27 -1.42 -0.22 0.00 -1.10 0.00 0.00 60.65 58.17 3ice s ILE 97 Cb -0.16 -1.29 0.05 0.00 -1.06 0.00 0.00 42.46 40.01 3ice s ILE 97 CO 0.11 -0.17 0.51 -0.55 -0.10 0.00 0.00 174.94 174.73 3ice s SER 98 N -1.85 -0.46 0.00 3.58 0.15 -1.16 -2.35 113.70 111.61 3ice s SER 98 Ca 0.02 0.57 0.00 0.00 0.70 0.00 0.00 55.95 57.24 3ice s SER 98 Cb -0.10 0.58 0.00 0.00 -1.71 0.00 0.00 66.02 64.80 3ice s SER 98 CO 0.03 -0.45 0.00 0.61 1.20 0.00 0.00 173.24 174.63 3ice n GLY 99 N 1.49 -1.30 3.75 9.45 0.00 -1.25 -0.25 105.19 117.08 3ice n GLY 99 Ca -0.19 -0.92 -0.37 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.65 3.13 0.13 1.61 1.02 -0.09 -3.97 119.74 120.92 3ice s LYS 100 Ca 0.00 1.97 -0.11 0.00 0.02 0.00 0.00 55.97 57.85 3ice s LYS 100 Cb 0.00 -2.12 0.01 0.00 -0.52 0.00 0.00 37.83 35.20 3ice s LYS 100 CO 0.00 -1.12 0.30 0.96 -0.92 0.00 0.00 175.35 174.57 3ice s ILE 101 N -1.47 0.09 0.24 2.17 -4.36 -1.19 -0.80 121.20 115.88 3ice s ILE 101 Ca 0.73 -1.11 0.10 0.00 -0.26 0.00 0.00 60.65 60.12 3ice s ILE 101 Cb -0.34 -1.52 -0.05 0.00 1.25 0.00 0.00 42.46 41.80 3ice s ILE 101 CO 0.39 -0.41 -0.18 0.00 0.24 0.00 0.00 174.94 174.98 3ice s ARG 102 N -3.89 1.52 0.40 0.37 1.04 -1.25 -4.11 118.95 113.03 3ice s ARG 102 Ca 0.10 -1.68 -0.25 0.00 -1.04 0.00 0.00 55.73 52.86 3ice s ARG 102 Cb 0.03 -1.49 -0.08 0.00 -2.04 0.00 0.00 34.95 31.37 3ice s ARG 102 CO -0.06 0.27 1.12 -2.14 -0.04 0.00 0.00 175.30 174.45 3ice s PRO 103 N -3.54 4.06 0.27 3.89 0.02 -1.26 -3.96 135.00 134.48 3ice s PRO 103 Ca 0.26 1.71 -0.31 0.00 0.02 0.00 0.00 61.00 62.69 3ice s PRO 103 Cb -0.03 -2.60 -0.12 0.00 0.02 0.00 0.00 34.50 31.77 3ice s PRO 103 CO 0.11 -0.27 1.63 -2.30 -0.33 0.00 0.00 177.00 175.84 3ice n PRO 104 N -0.03 2.72 -1.58 5.54 -0.02 -1.26 -4.95 135.00 135.42 3ice n PRO 104 Ca 0.05 0.97 -0.31 0.00 -2.02 0.00 0.00 63.50 62.19 3ice n PRO 104 Cb 0.48 -2.77 0.06 0.00 -0.02 0.00 0.00 33.50 31.25 3ice n PRO 104 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3ice s LYS 105 N -0.08 2.78 0.34 -0.52 -0.14 -1.26 -4.88 119.74 115.97 3ice s LYS 105 Ca 0.67 0.87 -0.29 0.00 -1.36 0.00 0.00 55.97 55.87 3ice s LYS 105 Cb -0.50 -1.98 -0.12 0.00 -1.68 0.00 0.00 37.83 33.55 3ice s LYS 105 CO 0.44 -1.19 1.43 -1.91 -0.76 0.00 0.00 175.35 173.37 3ice n GLU 106 N -3.18 2.45 0.00 1.68 2.13 -1.26 0.10 120.64 122.55 3ice n GLU 106 Ca 0.07 0.86 0.00 0.00 0.66 0.00 0.00 57.16 58.75 3ice n GLU 106 Cb 0.54 -2.54 0.00 0.00 0.27 0.00 0.00 31.44 29.71 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 0.98 2.21 3.76 8.31 0.00 -1.26 -5.00 105.19 114.19 3ice n GLY 107 Ca 0.04 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 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 0.00 4.42 -0.11 1.61 2.02 0.11 -4.96 118.70 121.80 3ice s GLU 108 Ca 0.00 2.11 0.12 0.00 0.02 0.00 0.00 54.97 57.22 3ice s GLU 108 Cb 0.00 -3.12 -0.18 0.00 0.10 0.00 0.00 34.13 30.93 3ice s GLU 108 CO 0.00 -0.13 0.11 0.54 0.02 0.00 0.00 175.26 175.80 3ice n ARG 109 N 1.24 1.51 -4.49 1.61 1.74 -1.26 -4.45 116.66 112.56 3ice n ARG 109 Ca 0.01 -0.03 -0.23 0.00 -0.77 0.00 0.00 57.85 56.82 3ice n ARG 109 Cb 0.42 -1.34 -0.11 0.00 -1.02 0.00 0.00 32.46 30.42 3ice n ARG 109 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3ice s TYR 110 N -2.48 2.14 0.55 -1.55 2.02 -1.26 -5.00 117.35 111.77 3ice s TYR 110 Ca -0.06 -0.69 -0.15 0.00 -0.37 0.00 0.00 57.07 55.79 3ice s TYR 110 Cb 0.05 -1.30 -0.06 0.00 -0.40 0.00 0.00 41.96 40.25 3ice s TYR 110 CO 0.56 0.33 1.01 -0.06 -1.57 0.00 0.00 175.55 175.82 3ice s PHE 111 N -2.92 3.41 0.26 2.71 0.08 -1.22 -4.47 117.98 115.83 3ice s PHE 111 Ca 0.32 1.44 0.07 0.00 0.12 0.00 0.00 56.93 58.88 3ice s PHE 111 Cb 0.05 -2.81 -0.05 0.00 -0.57 0.00 0.00 43.02 39.64 3ice s PHE 111 CO 0.14 -0.56 -0.09 0.00 -0.10 0.00 0.00 175.22 174.62 3ice s ALA 112 N -2.72 2.29 -0.70 5.36 0.00 -1.25 -0.22 121.76 124.51 3ice s ALA 112 Ca 0.59 -1.84 -0.22 0.00 0.00 0.00 0.00 51.96 50.48 3ice s ALA 112 Cb -0.11 0.09 0.08 0.00 0.00 0.00 0.00 23.12 23.18 3ice s ALA 112 CO 0.37 -0.02 1.01 -1.17 0.00 0.00 0.00 175.76 175.95 3ice s LEU 113 N -3.42 4.39 0.08 0.00 2.96 -0.38 -3.79 118.68 118.52 3ice s LEU 113 Ca 0.28 -1.10 -0.34 0.00 -0.22 0.00 0.00 54.13 52.74 3ice s LEU 113 Cb 0.02 -2.43 -0.17 0.00 0.50 0.00 0.00 46.19 44.11 3ice s LEU 113 CO 0.11 -1.42 1.60 0.25 -1.32 0.00 0.00 176.35 175.57 3ice h LEU 114 N 11.35 -0.98 -7.71 -0.68 5.85 -1.50 -3.47 115.31 118.17 3ice h LEU 114 Ca -0.22 0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.46 3ice h LEU 114 Cb 1.06 0.29 -0.15 0.00 0.37 0.00 0.00 40.66 42.23 3ice h LEU 114 CO 1.18 -0.61 -0.33 -0.54 -0.34 0.00 0.00 178.44 177.81 3ice s LYS 115 N -6.00 0.82 -0.20 1.25 -0.14 0.02 -4.95 119.74 110.53 3ice s LYS 115 Ca -0.18 -0.78 -0.12 0.00 -1.36 0.00 0.00 55.97 53.54 3ice s LYS 115 Cb 0.04 0.34 -0.05 0.00 -1.68 0.00 0.00 37.83 36.48 3ice s LYS 115 CO 0.62 -0.26 0.20 0.14 -0.76 0.00 0.00 175.35 175.29 3ice s VAL 116 N -3.31 5.35 -0.23 3.17 -7.23 -1.26 -0.92 120.40 115.98 3ice s VAL 116 Ca 0.01 0.33 -0.04 0.00 -1.81 0.00 0.00 61.98 60.47 3ice s VAL 116 Cb 0.02 -3.54 -0.19 0.00 0.56 0.00 0.00 36.38 33.23 3ice s VAL 116 CO -0.08 0.39 -0.08 0.59 -0.31 0.00 0.00 175.10 175.61 3ice n ASN 117 N 3.79 2.01 -3.67 4.85 3.02 0.66 -4.86 115.26 121.05 3ice n ASN 117 Ca -0.14 0.04 -0.09 0.00 -0.03 0.00 0.00 54.58 54.36 3ice n ASN 117 Cb 0.52 -0.61 -0.09 0.00 -0.61 0.00 0.00 39.78 38.99 3ice n ASN 117 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3ice s GLU 118 N -2.52 0.55 -0.21 3.52 2.12 -0.82 -4.19 118.70 117.15 3ice s GLU 118 Ca -0.32 0.96 -0.08 0.00 0.36 0.00 0.00 54.97 55.89 3ice s GLU 118 Cb 0.09 0.08 -0.04 0.00 0.26 0.00 0.00 34.13 34.53 3ice s GLU 118 CO 0.62 -0.14 0.08 0.08 -0.54 0.00 0.00 175.26 175.36 3ice s VAL 119 N 1.36 4.74 -1.43 3.70 1.01 0.13 -3.01 120.40 126.90 3ice s VAL 119 Ca -0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 61.98 61.84 3ice s VAL 119 Cb -0.06 -3.17 0.01 0.00 0.00 0.00 0.00 36.38 33.15 3ice s VAL 119 CO -0.14 0.40 0.41 0.59 0.00 0.00 0.00 175.10 176.36 3ice n ASN 120 N 4.11 -0.38 -2.17 3.32 3.02 -0.08 -0.83 115.26 122.25 3ice n ASN 120 Ca -0.16 -1.02 -0.19 0.00 -0.03 0.00 0.00 54.58 53.18 3ice n ASN 120 Cb 0.52 -2.96 -0.01 0.00 -0.61 0.00 0.00 39.78 36.73 3ice n ASN 120 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3ice n PHE 121 N -4.41 -0.96 -3.70 3.10 3.72 -1.26 -4.98 117.46 108.97 3ice n PHE 121 Ca -0.29 0.04 -0.14 0.00 -0.05 0.00 0.00 57.45 57.01 3ice n PHE 121 Cb 0.68 -3.69 -0.08 0.00 -0.94 0.00 0.00 39.48 35.44 3ice n PHE 121 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3ice s ASP 122 N -2.21 -0.36 0.15 4.37 -1.08 -0.01 -5.13 116.67 112.40 3ice s ASP 122 Ca 0.02 0.44 -0.34 0.00 -0.52 0.00 0.00 52.55 52.15 3ice s ASP 122 Cb -0.01 0.52 -0.16 0.00 -1.46 0.00 0.00 42.92 41.82 3ice s ASP 122 CO 0.03 -0.40 1.23 1.17 0.52 0.00 0.00 175.17 177.72 3ice n LYS 123 N 1.64 1.24 -0.06 4.34 4.81 -1.26 0.20 118.16 129.07 3ice n LYS 123 Ca -0.19 0.44 0.21 0.00 -0.87 0.00 0.00 58.31 57.91 3ice n LYS 123 Cb 0.56 -1.99 0.67 0.00 0.02 0.00 0.00 35.03 34.30 3ice n LYS 123 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 3ice h PRO 124 N 3.77 0.05 -0.02 1.64 0.11 -1.88 -2.70 132.00 132.97 3ice h PRO 124 Ca -0.44 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.61 3ice h PRO 124 Cb 1.34 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.43 3ice h PRO 124 CO 0.73 0.03 -0.25 0.93 -0.21 0.00 0.00 178.00 179.23 3ice h GLU 125 N 0.05 0.03 0.00 1.05 4.39 -1.95 -3.08 114.58 115.08 3ice h GLU 125 Ca 0.30 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.99 3ice h GLU 125 Cb 1.14 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 3ice h GLU 125 CO -0.02 0.28 0.00 -0.91 -1.16 0.00 0.00 179.01 177.21 3ice h ASN 126 N 0.03 0.00 -0.95 1.42 2.35 -1.84 -3.32 115.58 113.27 3ice h ASN 126 Ca 0.00 0.00 0.19 0.00 -0.55 0.00 0.00 56.30 55.94 3ice h ASN 126 Cb 0.47 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.75 3ice h ASN 126 CO 0.03 0.00 0.61 0.00 -1.65 0.00 0.00 177.43 176.42 3ice h ALA 127 N 2.20 1.94 -0.49 -0.83 0.00 -1.75 -2.56 119.26 117.78 3ice h ALA 127 Ca 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3ice h ALA 127 Cb 0.50 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3ice h ALA 127 CO 0.00 -0.25 0.21 0.00 0.00 0.00 0.00 179.25 179.20 3ice h ARG 128 N 0.60 0.69 0.00 0.00 2.47 -1.85 -2.52 114.38 113.77 3ice h ARG 128 Ca 0.51 -0.09 -0.08 0.00 -1.26 0.00 0.00 59.98 59.06 3ice h ARG 128 Cb 1.00 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 29.18 3ice h ARG 128 CO -0.26 0.56 -0.39 -2.95 0.56 0.00 0.00 179.97 177.49 3ice h ASN 129 N 0.69 0.00 -3.71 7.04 7.08 -1.74 -3.46 115.58 121.47 3ice h ASN 129 Ca 0.17 0.00 -0.54 0.00 -3.08 0.00 0.00 56.30 52.84 3ice h ASN 129 Cb 0.12 0.00 0.11 0.00 -2.08 0.00 0.00 38.32 36.46 3ice h ASN 129 CO -0.02 0.39 0.75 2.29 -2.08 0.00 0.00 177.43 178.77 3ice n LYS 130 N -3.22 2.60 -2.80 4.14 2.85 -0.95 -4.96 118.16 115.81 3ice n LYS 130 Ca 0.02 0.91 -0.40 0.00 -1.05 0.00 0.00 58.31 57.80 3ice n LYS 130 Cb 0.67 -2.63 -0.06 0.00 -0.65 0.00 0.00 35.03 32.36 3ice n LYS 130 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 3ice s ILE 131 N -0.92 4.14 0.45 0.58 1.01 -1.26 -5.02 121.20 120.18 3ice s ILE 131 Ca 0.55 1.99 -0.25 0.00 0.00 0.00 0.00 60.65 62.94 3ice s ILE 131 Cb -0.49 -4.26 -0.08 0.00 0.01 0.00 0.00 42.46 37.64 3ice s ILE 131 CO 0.61 0.46 1.37 -0.76 0.00 0.00 0.00 174.94 176.62 3ice s LEU 132 N -1.27 4.10 0.14 2.97 1.43 -1.26 -4.87 118.68 119.92 3ice s LEU 132 Ca 0.41 2.79 -0.22 0.00 -1.03 0.00 0.00 54.13 56.08 3ice s LEU 132 Cb -0.25 -3.99 0.01 0.00 0.03 0.00 0.00 46.19 41.99 3ice s LEU 132 CO 0.30 -1.12 1.66 0.15 0.23 0.00 0.00 176.35 177.57 3ice h PHE 133 N 2.30 -0.45 0.00 0.29 3.57 -1.94 -0.93 116.94 119.79 3ice h PHE 133 Ca -0.50 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.02 3ice h PHE 133 Cb 1.26 0.23 -0.00 0.00 2.79 0.00 0.00 35.95 40.23 3ice h PHE 133 CO 0.51 -0.25 -0.00 0.93 -2.23 0.00 0.00 178.31 177.27 3ice h GLU 134 N -0.19 0.00 -0.02 1.11 3.07 -1.98 -0.55 114.58 116.02 3ice h GLU 134 Ca 0.12 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.98 3ice h GLU 134 Cb 0.36 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.27 3ice h GLU 134 CO -0.30 0.00 -0.07 0.09 -1.40 0.00 0.00 179.01 177.34 3ice n ASN 135 N -3.90 1.99 -4.76 1.42 4.13 -0.45 -4.92 115.26 108.77 3ice n ASN 135 Ca -0.03 -1.60 -0.32 0.00 1.68 0.00 0.00 54.58 54.31 3ice n ASN 135 Cb 0.08 0.05 0.07 0.00 -1.54 0.00 0.00 39.78 38.45 3ice n ASN 135 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3ice s LEU 136 N -2.10 3.25 -0.21 3.41 1.43 -0.22 -4.90 118.68 119.34 3ice s LEU 136 Ca 0.31 2.01 -0.10 0.00 -1.03 0.00 0.00 54.13 55.33 3ice s LEU 136 Cb 0.20 -4.55 -0.05 0.00 0.03 0.00 0.00 46.19 41.83 3ice s LEU 136 CO 0.36 -1.92 0.12 0.28 0.23 0.00 0.00 176.35 175.43 3ice s THR 137 N -2.47 5.22 0.55 5.49 -1.32 -1.26 -5.06 115.64 116.79 3ice s THR 137 Ca 0.66 0.12 -0.00 0.00 -1.21 0.00 0.00 61.69 61.26 3ice s THR 137 Cb -0.21 -3.40 0.03 0.00 -1.51 0.00 0.00 72.50 67.41 3ice s THR 137 CO 0.47 0.40 0.79 -2.16 -2.21 0.00 0.00 174.62 171.91 3ice s PRO 138 N 0.67 2.64 0.35 7.08 0.05 -1.25 -2.18 135.00 142.36 3ice s PRO 138 Ca 0.07 -0.62 -0.14 0.00 0.05 0.00 0.00 61.00 60.35 3ice s PRO 138 Cb -0.12 -2.46 0.03 0.00 0.05 0.00 0.00 34.50 32.00 3ice s PRO 138 CO 0.01 -0.68 0.70 -0.51 0.05 0.00 0.00 177.00 176.57 3ice s LEU 139 N -4.78 0.14 0.63 -3.56 1.43 -0.77 -4.82 118.68 106.93 3ice s LEU 139 Ca 0.55 -1.07 -0.17 0.00 -1.03 0.00 0.00 54.13 52.41 3ice s LEU 139 Cb -0.10 2.51 -0.02 0.00 0.03 0.00 0.00 46.19 48.61 3ice s LEU 139 CO 0.39 -1.51 1.16 -1.00 0.23 0.00 0.00 176.35 175.63 3ice s HIS 140 N -2.91 2.44 0.12 0.29 3.76 -1.26 -3.81 115.29 113.92 3ice s HIS 140 Ca 0.17 1.55 -0.35 0.00 -0.15 0.00 0.00 55.06 56.28 3ice s HIS 140 Cb -0.04 -3.35 -0.16 0.00 1.11 0.00 0.00 32.58 30.13 3ice s HIS 140 CO 0.12 -2.01 1.29 0.00 -0.85 0.00 0.00 174.74 173.28 3ice n ALA 141 N -1.98 -0.86 -0.48 -1.40 0.00 -1.26 -4.93 120.51 109.60 3ice n ALA 141 Ca 0.12 0.50 0.00 0.00 0.00 0.00 0.00 53.44 54.06 3ice n ALA 141 Cb 0.51 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.89 3ice n ALA 141 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3ice n ASN 142 N 2.38 0.00 -4.53 0.00 3.02 -1.26 -4.70 115.26 110.16 3ice n ASN 142 Ca 0.17 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.40 3ice n ASN 142 Cb 0.21 -0.25 0.15 0.00 -0.61 0.00 0.00 39.78 39.28 3ice n ASN 142 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3ice n SER 143 N -2.01 -0.93 -4.40 6.41 7.64 -1.26 -4.67 113.62 114.40 3ice n SER 143 Ca 0.00 0.34 -0.32 0.00 1.01 0.00 0.00 58.87 59.89 3ice n SER 143 Cb 0.00 -1.33 -0.14 0.00 -1.01 0.00 0.00 64.21 61.73 3ice n SER 143 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 3ice s ARG 144 N -4.14 2.65 -0.40 1.43 3.52 -1.26 -2.60 118.95 118.15 3ice s ARG 144 Ca 0.62 -0.76 -0.09 0.00 -0.13 0.00 0.00 55.73 55.37 3ice s ARG 144 Cb -0.22 -2.35 0.06 0.00 -1.56 0.00 0.00 34.95 30.88 3ice s ARG 144 CO 0.63 0.48 0.22 -0.51 -0.81 0.00 0.00 175.30 175.32 3ice s LEU 145 N -0.38 4.93 0.00 -0.88 1.43 0.50 -4.90 118.68 119.38 3ice s LEU 145 Ca 0.04 -1.35 0.02 0.00 -1.03 0.00 0.00 54.13 51.81 3ice s LEU 145 Cb -0.12 -1.97 0.02 0.00 0.03 0.00 0.00 46.19 44.14 3ice s LEU 145 CO 0.02 -0.47 0.13 -1.14 0.23 0.00 0.00 176.35 175.12 3ice n ARG 146 N 4.91 0.96 -1.58 1.70 0.63 -1.26 -4.12 116.66 117.90 3ice n ARG 146 Ca -0.11 -0.54 0.00 0.00 -0.92 0.00 0.00 57.85 56.28 3ice n ARG 146 Cb 0.44 -0.04 0.00 0.00 0.45 0.00 0.00 32.46 33.31 3ice n ARG 146 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 3ice n GLU 148 N -1.19 -4.44 -4.28 -0.14 2.13 -1.26 -4.86 120.64 106.61 3ice n GLU 148 Ca 0.03 3.35 -0.17 0.00 0.66 0.00 0.00 57.16 61.02 3ice n GLU 148 Cb 0.10 -3.88 -0.14 0.00 0.27 0.00 0.00 31.44 27.79 3ice n GLU 148 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3ice s ARG 149 N -4.23 0.65 0.15 5.31 0.52 -1.26 -5.01 118.95 115.08 3ice s ARG 149 Ca 0.00 -0.39 0.19 0.00 -0.52 0.00 0.00 55.73 55.01 3ice s ARG 149 Cb 0.00 -0.61 0.82 0.00 0.52 0.00 0.00 34.95 35.68 3ice s ARG 149 CO 0.00 0.16 1.59 0.41 0.02 0.00 0.00 175.30 177.48 3ice n GLY 150 N 2.60 -1.12 0.40 -3.53 0.00 -1.26 -3.27 105.19 99.01 3ice n GLY 150 Ca -0.15 0.04 0.20 0.00 0.00 0.00 0.00 46.02 46.11 3ice n GLY 150 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3ice h ASN 151 N 0.00 0.39 -5.42 1.61 4.21 -2.03 -3.45 115.58 110.89 3ice h ASN 151 Ca 0.00 0.04 -0.42 0.00 1.21 0.00 0.00 56.30 57.14 3ice h ASN 151 Cb 0.29 -0.03 0.01 0.00 -1.12 0.00 0.00 38.32 37.48 3ice h ASN 151 CO 0.00 0.15 -0.65 0.61 -1.29 0.00 0.00 177.43 176.25 3ice n GLY 152 N -1.52 -0.51 3.75 2.83 0.00 -1.20 -4.95 105.19 103.58 3ice n GLY 152 Ca 0.20 0.16 -0.30 0.00 0.00 0.00 0.00 46.02 46.08 3ice n GLY 152 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ice s SER 153 N -2.97 3.97 0.54 1.61 1.04 -1.26 -4.91 113.70 111.72 3ice s SER 153 Ca 0.47 1.48 0.23 0.00 0.48 0.00 0.00 55.95 58.61 3ice s SER 153 Cb -0.23 -2.18 1.49 0.00 0.10 0.00 0.00 66.02 65.20 3ice s SER 153 CO 0.58 -2.33 2.15 0.74 0.98 0.00 0.00 173.24 175.37 3ice h THR 154 N -1.33 0.75 0.00 2.02 2.02 -2.03 -2.39 112.91 111.94 3ice h THR 154 Ca -0.48 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.50 3ice h THR 154 Cb 1.27 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 68.80 3ice h THR 154 CO 0.56 0.05 -1.15 1.21 0.37 0.00 0.00 175.52 176.55 3ice n GLU 155 N -4.05 0.37 0.30 6.66 4.07 -1.26 -4.04 120.64 122.69 3ice n GLU 155 Ca -0.03 -0.01 0.18 0.00 -0.06 0.00 0.00 57.16 57.24 3ice n GLU 155 Cb 0.14 -1.61 0.96 0.00 -0.06 0.00 0.00 31.44 30.86 3ice n GLU 155 CO 0.00 0.00 0.00 0.22 -0.06 0.00 0.00 177.13 177.29 3ice h ASP 156 N 0.00 0.00 -0.84 4.31 1.82 -1.78 -2.93 116.42 117.01 3ice h ASP 156 Ca 0.00 0.00 0.19 0.00 -0.39 0.00 0.00 57.03 56.83 3ice h ASP 156 Cb 0.80 0.00 -0.11 0.00 0.68 0.00 0.00 39.33 40.69 3ice h ASP 156 CO 0.00 0.03 0.33 0.17 -1.61 0.00 0.00 179.24 178.17 3ice h LEU 157 N 0.00 0.27 -0.25 2.28 -0.00 -1.70 -1.25 115.31 114.66 3ice h LEU 157 Ca -0.00 0.14 -0.03 0.00 -0.00 0.00 0.00 57.88 57.99 3ice h LEU 157 Cb 0.15 0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 40.93 3ice h LEU 157 CO 0.00 0.03 0.06 0.71 -0.00 0.00 0.00 178.44 179.24 3ice h THR 158 N 0.40 1.22 -0.87 0.15 1.35 -1.83 -0.93 112.91 112.39 3ice h THR 158 Ca 0.49 -0.71 0.05 0.00 -0.55 0.00 0.00 66.41 65.69 3ice h THR 158 Cb 0.87 1.21 -0.06 0.00 -1.73 0.00 0.00 68.15 68.44 3ice h THR 158 CO -0.49 0.23 0.55 0.00 -0.25 0.00 0.00 175.52 175.56 3ice h ALA 159 N 0.87 1.18 -0.18 6.62 0.00 -1.50 -0.92 119.26 125.33 3ice h ALA 159 Ca 0.08 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3ice h ALA 159 Cb 0.29 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3ice h ALA 159 CO 0.00 0.34 -0.03 0.00 0.00 0.00 0.00 179.25 179.57 3ice h ARG 160 N 1.04 0.33 -0.48 0.00 3.08 -0.91 -0.66 114.38 116.78 3ice h ARG 160 Ca 0.37 -0.12 -0.08 0.00 0.07 0.00 0.00 59.98 60.22 3ice h ARG 160 Cb 0.10 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 3ice h ARG 160 CO -0.15 0.58 0.00 -0.24 -1.07 0.00 0.00 179.97 179.09 3ice h VAL 161 N 0.05 1.26 -0.81 2.04 3.04 -1.03 -1.72 116.25 119.08 3ice h VAL 161 Ca 0.05 -1.06 -0.02 0.00 -1.01 0.00 0.00 66.70 64.66 3ice h VAL 161 Cb 0.44 1.00 -0.04 0.00 -2.01 0.00 0.00 31.29 30.68 3ice h VAL 161 CO 0.01 0.37 0.45 0.25 -1.01 0.00 0.00 177.57 177.64 3ice h LEU 162 N 0.70 1.01 -1.63 3.16 6.46 -1.16 0.32 115.31 124.18 3ice h LEU 162 Ca 0.14 -0.10 -0.01 0.00 -0.12 0.00 0.00 57.88 57.79 3ice h LEU 162 Cb 0.51 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.17 3ice h LEU 162 CO 0.02 0.82 0.11 -0.78 -0.62 0.00 0.00 178.44 177.99 3ice h ASP 163 N 1.13 0.31 0.03 1.25 1.82 -0.76 0.97 116.42 121.17 3ice h ASP 163 Ca 0.29 -0.02 -0.00 0.00 -0.39 0.00 0.00 57.03 56.90 3ice h ASP 163 Cb 0.03 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 39.96 3ice h ASP 163 CO -0.05 0.28 -0.02 -0.07 -1.61 0.00 0.00 179.24 177.78 3ice h LEU 164 N 0.36 -0.04 -0.49 2.28 3.38 -0.38 -3.34 115.31 117.08 3ice h LEU 164 Ca 0.09 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 3ice h LEU 164 Cb 0.06 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3ice h LEU 164 CO -0.01 0.63 0.30 0.00 0.09 0.00 0.00 178.44 179.45 3ice h ALA 165 N -0.61 0.62 -2.19 1.53 0.00 -0.31 -3.41 119.26 114.90 3ice h ALA 165 Ca -0.00 -0.06 -0.35 0.00 0.00 0.00 0.00 54.91 54.49 3ice h ALA 165 Cb 0.40 -0.20 -0.34 0.00 0.00 0.00 0.00 17.79 17.65 3ice h ALA 165 CO 0.01 0.11 -0.65 -1.54 0.00 0.00 0.00 179.25 177.17 3ice s SER 166 N -5.71 1.81 0.70 0.00 1.04 0.33 -4.02 113.70 107.85 3ice s SER 166 Ca -0.13 -0.88 -0.16 0.00 0.48 0.00 0.00 55.95 55.26 3ice s SER 166 Cb 0.12 0.43 0.02 0.00 0.10 0.00 0.00 66.02 66.69 3ice s SER 166 CO 0.74 -0.38 1.21 -2.84 0.98 0.00 0.00 173.24 172.95 3ice s PRO 167 N 2.26 2.31 -0.04 4.02 0.02 -1.25 -4.43 135.00 137.89 3ice s PRO 167 Ca 0.10 1.76 0.04 0.00 0.02 0.00 0.00 61.00 62.92 3ice s PRO 167 Cb -0.14 -1.85 -0.00 0.00 0.02 0.00 0.00 34.50 32.52 3ice s PRO 167 CO -0.31 -1.70 -0.15 0.42 -0.33 0.00 0.00 177.00 174.93 3ice s ILE 168 N -1.92 1.29 0.42 2.83 1.09 -1.26 -4.84 121.20 118.81 3ice s ILE 168 Ca 0.75 -0.64 0.04 0.00 -1.10 0.00 0.00 60.65 59.69 3ice s ILE 168 Cb -0.29 -1.11 -0.04 0.00 -1.06 0.00 0.00 42.46 39.96 3ice s ILE 168 CO 0.43 0.38 0.05 -0.83 -0.10 0.00 0.00 174.94 174.87 3ice s GLY 169 N 0.07 2.61 0.15 6.18 0.00 -1.26 -0.37 107.32 114.69 3ice s GLY 169 Ca -0.03 -1.35 -0.31 0.00 0.00 0.00 0.00 44.72 43.02 3ice s GLY 169 CO 0.02 -1.99 1.64 0.50 0.00 0.00 0.00 173.10 173.26 3ice s ARG 170 N -3.80 4.19 0.00 2.90 0.52 -1.07 -1.91 118.95 119.77 3ice s ARG 170 Ca 0.23 2.43 0.00 0.00 -0.52 0.00 0.00 55.73 57.87 3ice s ARG 170 Cb 0.05 -3.27 0.00 0.00 0.52 0.00 0.00 34.95 32.25 3ice s ARG 170 CO 0.12 -0.68 0.00 0.41 0.02 0.00 0.00 175.30 175.17 3ice n GLY 171 N 3.89 0.44 3.61 -3.53 0.00 -1.26 -4.24 105.19 104.10 3ice n GLY 171 Ca 0.15 -0.97 -0.43 0.00 0.00 0.00 0.00 46.02 44.77 3ice n GLY 171 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3ice s GLN 172 N -2.42 3.69 -1.42 1.61 2.00 -0.80 -3.97 119.66 118.35 3ice s GLN 172 Ca 0.00 0.97 -0.15 0.00 -2.00 0.00 0.00 55.36 54.18 3ice s GLN 172 Cb 0.00 -3.97 0.04 0.00 0.80 0.00 0.00 33.01 29.89 3ice s GLN 172 CO 0.00 -1.41 2.12 -2.13 -0.50 0.00 0.00 175.29 173.36 3ice n ARG 173 N 7.82 2.92 -2.25 1.67 0.63 -1.26 -3.15 116.66 123.04 3ice n ARG 173 Ca 0.15 -2.75 -0.26 0.00 -0.92 0.00 0.00 57.85 54.08 3ice n ARG 173 Cb 0.48 -3.34 0.06 0.00 0.45 0.00 0.00 32.46 30.11 3ice n ARG 173 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 3ice s GLY 174 N 3.45 1.68 -0.21 5.14 0.00 -0.44 -1.25 107.32 115.69 3ice s GLY 174 Ca 0.49 -0.88 -0.14 0.00 0.00 0.00 0.00 44.72 44.18 3ice s GLY 174 CO -0.05 -0.51 0.53 -2.27 0.00 0.00 0.00 173.10 170.81 3ice s LEU 175 N -5.18 -0.33 -0.26 0.66 2.96 -1.26 -3.37 118.68 111.89 3ice s LEU 175 Ca 0.59 1.14 0.02 0.00 -0.22 0.00 0.00 54.13 55.66 3ice s LEU 175 Cb -0.11 1.81 0.06 0.00 0.50 0.00 0.00 46.19 48.46 3ice s LEU 175 CO 0.45 -0.21 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.56 3ice s ILE 176 N 1.11 1.98 -0.13 6.68 1.01 0.81 0.22 121.20 132.88 3ice s ILE 176 Ca -0.07 -1.57 -0.03 0.00 0.00 0.00 0.00 60.65 58.98 3ice s ILE 176 Cb -0.06 -2.17 -0.03 0.00 0.01 0.00 0.00 42.46 40.22 3ice s ILE 176 CO -0.10 -0.10 -0.03 -0.69 0.00 0.00 0.00 174.94 174.01 3ice s VAL 177 N 1.17 3.95 0.08 2.92 1.01 0.53 0.63 120.40 130.70 3ice s VAL 177 Ca -0.06 -0.35 -0.26 0.00 0.00 0.00 0.00 61.98 61.31 3ice s VAL 177 Cb -0.20 -2.71 0.08 0.00 0.00 0.00 0.00 36.38 33.55 3ice s VAL 177 CO -0.06 0.52 0.66 0.00 0.00 0.00 0.00 175.10 176.23 3ice s ALA 178 N 0.01 -1.67 0.58 5.51 0.00 -0.70 -0.36 121.76 125.12 3ice s ALA 178 Ca 0.01 0.77 -0.17 0.00 0.00 0.00 0.00 51.96 52.56 3ice s ALA 178 Cb -0.13 0.59 -0.04 0.00 0.00 0.00 0.00 23.12 23.53 3ice s ALA 178 CO 0.03 -0.66 1.09 -2.14 0.00 0.00 0.00 175.76 174.08 3ice s PRO 179 N -3.02 3.28 0.90 0.00 0.02 -1.26 -3.20 135.00 131.73 3ice s PRO 179 Ca -0.01 1.41 -0.14 0.00 0.02 0.00 0.00 61.00 62.27 3ice s PRO 179 Cb -0.01 -2.01 -0.01 0.00 0.02 0.00 0.00 34.50 32.49 3ice s PRO 179 CO -0.07 -0.87 0.23 -2.30 -0.33 0.00 0.00 177.00 173.66 3ice n PRO 180 N -1.72 -0.12 -1.01 5.54 -0.02 -1.26 -2.70 135.00 133.72 3ice n PRO 180 Ca 0.10 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.58 3ice n PRO 180 Cb 0.52 -1.70 -0.00 0.00 -0.02 0.00 0.00 33.50 32.30 3ice n PRO 180 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3ice n LYS 181 N -0.76 -0.20 0.00 -0.52 4.81 -1.26 -4.89 118.16 115.33 3ice n LYS 181 Ca 0.06 0.10 0.13 0.00 -0.87 0.00 0.00 58.31 57.73 3ice n LYS 181 Cb 0.53 -3.30 0.34 0.00 0.02 0.00 0.00 35.03 32.63 3ice n LYS 181 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3ice n ALA 182 N 1.00 2.70 -1.80 3.14 0.00 -1.10 -4.92 120.51 119.53 3ice n ALA 182 Ca -0.00 -0.52 -0.05 0.00 0.00 0.00 0.00 53.44 52.86 3ice n ALA 182 Cb 0.05 -1.03 -0.01 0.00 0.00 0.00 0.00 19.45 18.46 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 1.27 0.35 0.15 0.00 0.00 -1.26 -4.54 105.19 101.16 3ice n GLY 183 Ca 0.16 -0.72 -0.20 0.00 0.00 0.00 0.00 46.02 45.26 3ice n GLY 183 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3ice h LYS 184 N 0.00 0.49 -0.35 1.61 2.10 -1.91 0.41 116.57 118.92 3ice h LYS 184 Ca -0.12 -0.73 0.00 0.00 -2.00 0.00 0.00 60.65 57.80 3ice h LYS 184 Cb 0.86 0.25 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 3ice h LYS 184 CO 0.15 1.33 0.00 2.41 -2.00 0.00 0.00 179.45 181.34 3ice n THR 185 N -3.70 0.00 0.00 0.07 -1.04 -1.26 -2.22 114.28 106.13 3ice n THR 185 Ca -0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 3ice n THR 185 Cb 1.02 -0.20 0.00 0.00 -1.82 0.00 0.00 70.33 69.32 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 0.22 0.00 -0.31 -4.42 7.94 0.13 -2.58 117.00 117.99 3ice n LEU 187 Ca 0.00 0.00 0.11 0.00 -1.11 0.00 0.00 56.01 55.01 3ice n LEU 187 Cb 0.09 0.00 0.28 0.00 0.53 0.00 0.00 43.42 44.32 3ice n LEU 187 CO 0.00 0.00 1.09 0.25 -1.11 0.00 0.00 177.39 177.62 3ice h LEU 188 N 0.00 0.49 0.10 -1.96 5.85 -1.70 0.35 115.31 118.45 3ice h LEU 188 Ca 0.00 0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.86 3ice h LEU 188 Cb 0.00 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 3ice h LEU 188 CO 0.00 0.13 -0.20 1.56 -0.34 0.00 0.00 178.44 179.59 3ice h GLN 189 N 0.55 -0.37 -0.16 1.25 4.20 -1.80 0.35 115.11 119.13 3ice h GLN 189 Ca 0.53 0.03 0.05 0.00 0.06 0.00 0.00 58.65 59.31 3ice h GLN 189 Cb 0.88 0.08 -0.06 0.00 0.30 0.00 0.00 27.48 28.69 3ice h GLN 189 CO -0.44 -0.24 -0.22 -0.97 -0.67 0.00 0.00 178.83 176.28 3ice h ASN 190 N -0.38 -0.70 -0.69 1.46 -0.73 -0.95 -1.14 115.58 112.46 3ice h ASN 190 Ca 0.03 0.12 0.11 0.00 1.87 0.00 0.00 56.30 58.42 3ice h ASN 190 Cb 0.40 0.32 -0.08 0.00 0.27 0.00 0.00 38.32 39.23 3ice h ASN 190 CO -0.11 -0.27 0.30 0.40 -0.37 0.00 0.00 177.43 177.37 3ice h ILE 191 N -0.27 0.77 -0.88 2.57 2.04 -0.29 -0.25 117.51 121.20 3ice h ILE 191 Ca 0.11 -0.17 0.09 0.00 1.00 0.00 0.00 64.86 65.89 3ice h ILE 191 Cb 0.43 0.23 -0.07 0.00 -0.74 0.00 0.00 36.82 36.67 3ice h ILE 191 CO -0.31 0.09 0.53 0.00 0.00 0.00 0.00 178.15 178.46 3ice h ALA 192 N 1.46 1.26 -0.12 1.87 0.00 0.02 -2.34 119.26 121.42 3ice h ALA 192 Ca 0.35 0.01 -0.19 0.00 0.00 0.00 0.00 54.91 55.08 3ice h ALA 192 Cb 0.44 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3ice h ALA 192 CO -0.32 0.20 -0.72 0.37 0.00 0.00 0.00 179.25 178.78 3ice h GLN 193 N 0.91 0.56 0.37 0.00 4.15 0.07 -3.04 115.11 118.12 3ice h GLN 193 Ca 0.41 -0.44 -0.02 0.00 0.77 0.00 0.00 58.65 59.38 3ice h GLN 193 Cb 0.32 0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.10 3ice h GLN 193 CO -0.22 1.06 -0.18 1.03 -1.93 0.00 0.00 178.83 178.59 3ice h SER 194 N 0.39 -0.42 0.64 -0.69 0.87 -0.60 -1.51 113.55 112.23 3ice h SER 194 Ca -0.03 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 3ice h SER 194 Cb 1.31 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.38 3ice h SER 194 CO 0.13 -0.21 0.00 0.16 -0.53 0.00 0.00 176.83 176.39 3ice h ILE 195 N -0.61 0.00 -0.50 2.23 3.07 -1.62 -0.49 117.51 119.59 3ice h ILE 195 Ca -0.05 -0.31 -0.11 0.00 1.55 0.00 0.00 64.86 65.94 3ice h ILE 195 Cb 0.45 1.27 -0.02 0.00 -0.27 0.00 0.00 36.82 38.25 3ice h ILE 195 CO 0.08 0.00 -0.13 0.00 -1.05 0.00 0.00 178.15 177.06 3ice h ALA 196 N 2.02 0.83 0.24 0.16 0.00 -1.23 0.33 119.26 121.61 3ice h ALA 196 Ca 0.00 -0.35 -0.33 0.00 0.00 0.00 0.00 54.91 54.24 3ice h ALA 196 Cb 0.32 -0.18 0.03 0.00 0.00 0.00 0.00 17.79 17.96 3ice h ALA 196 CO 0.00 0.65 -1.46 -0.92 0.00 0.00 0.00 179.25 177.53 3ice h TYR 197 N 0.84 0.92 -0.01 0.00 3.20 -0.33 -3.36 116.97 118.22 3ice h TYR 197 Ca 0.13 -0.67 0.00 0.00 3.14 0.00 0.00 58.73 61.33 3ice h TYR 197 Cb 0.67 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.90 3ice h TYR 197 CO 0.04 1.56 -0.50 0.09 -1.64 0.00 0.00 178.16 177.71 3ice n ASN 198 N -3.75 1.07 -3.20 -2.11 4.13 -0.28 -4.70 115.26 106.41 3ice n ASN 198 Ca -0.18 -0.85 -0.16 0.00 1.68 0.00 0.00 54.58 55.08 3ice n ASN 198 Cb 1.08 0.39 -0.06 0.00 -1.54 0.00 0.00 39.78 39.65 3ice n ASN 198 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 3ice s HIS 199 N -2.73 -0.31 0.13 3.10 3.76 0.12 -4.94 115.29 114.43 3ice s HIS 199 Ca 0.16 -1.17 0.02 0.00 -0.15 0.00 0.00 55.06 53.93 3ice s HIS 199 Cb 0.18 -0.33 -0.12 0.00 1.11 0.00 0.00 32.58 33.43 3ice s HIS 199 CO 0.64 -1.02 1.30 -1.35 -0.85 0.00 0.00 174.74 173.47 3ice h PRO 200 N 6.05 0.15 -0.70 8.40 0.11 -1.73 -3.31 132.00 140.98 3ice h PRO 200 Ca 0.12 -0.20 0.10 0.00 0.11 0.00 0.00 66.00 66.13 3ice h PRO 200 Cb 1.03 0.07 -0.08 0.00 0.11 0.00 0.00 31.00 32.14 3ice h PRO 200 CO 0.19 1.02 0.33 0.38 -0.21 0.00 0.00 178.00 179.70 3ice h ASP 201 N 0.07 0.39 -2.95 -2.05 2.03 -1.92 -3.42 116.42 108.57 3ice h ASP 201 Ca -0.05 0.07 -0.53 0.00 -0.73 0.00 0.00 57.03 55.79 3ice h ASP 201 Cb 1.67 0.01 0.02 0.00 -0.83 0.00 0.00 39.33 40.20 3ice h ASP 201 CO 0.15 0.21 0.78 0.00 -1.03 0.00 0.00 179.24 179.35 3ice s VAL 203 N 1.52 3.04 0.42 0.00 1.01 0.15 -4.92 120.40 121.62 3ice s VAL 203 Ca 0.65 0.60 0.07 0.00 0.00 0.00 0.00 61.98 63.31 3ice s VAL 203 Cb -0.36 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 3ice s VAL 203 CO 0.30 0.02 0.22 -0.22 0.00 0.00 0.00 175.10 175.41 3ice s LEU 204 N 2.00 3.15 -0.30 3.92 2.96 -1.26 -1.46 118.68 127.70 3ice s LEU 204 Ca 0.70 -1.03 -0.12 0.00 -0.22 0.00 0.00 54.13 53.46 3ice s LEU 204 Cb -0.39 -1.54 0.15 0.00 0.50 0.00 0.00 46.19 44.91 3ice s LEU 204 CO 0.31 -0.58 0.84 -0.69 -1.32 0.00 0.00 176.35 174.91 3ice s VAL 206 N -2.58 -0.72 -0.25 1.68 1.01 -0.35 -2.69 120.40 116.50 3ice s VAL 206 Ca 0.42 0.00 -0.06 0.00 0.00 0.00 0.00 61.98 62.34 3ice s VAL 206 Cb 0.02 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.39 3ice s VAL 206 CO 0.23 0.00 0.02 -0.22 0.00 0.00 0.00 175.10 175.14 3ice s LEU 207 N 2.66 3.30 -0.25 3.92 2.96 -1.21 -0.90 118.68 129.15 3ice s LEU 207 Ca -0.03 -0.41 -0.04 0.00 -0.22 0.00 0.00 54.13 53.43 3ice s LEU 207 Cb -0.09 -1.83 0.00 0.00 0.50 0.00 0.00 46.19 44.77 3ice s LEU 207 CO -0.18 -0.06 0.00 -0.76 -1.32 0.00 0.00 176.35 174.03 3ice s LEU 208 N 1.53 3.33 -0.18 -0.68 1.43 -0.52 -1.49 118.68 122.09 3ice s LEU 208 Ca 0.05 -0.61 -0.02 0.00 -1.03 0.00 0.00 54.13 52.53 3ice s LEU 208 Cb -0.15 -1.78 -0.00 0.00 0.03 0.00 0.00 46.19 44.28 3ice s LEU 208 CO 0.00 -0.11 -0.10 0.27 0.23 0.00 0.00 176.35 176.65 3ice s ILE 209 N 1.46 3.01 0.00 -0.59 -4.36 -1.24 0.61 121.20 120.08 3ice s ILE 209 Ca 0.03 -0.63 0.00 0.00 -0.26 0.00 0.00 60.65 59.79 3ice s ILE 209 Cb -0.16 -2.32 0.00 0.00 1.25 0.00 0.00 42.46 41.23 3ice s ILE 209 CO -0.01 0.48 0.00 -0.67 0.24 0.00 0.00 174.94 174.97 3ice n ASP 210 N 4.38 0.00 -4.34 4.36 -0.08 1.48 -4.79 116.55 117.56 3ice n ASP 210 Ca -0.19 0.00 -0.33 0.00 -1.51 0.00 0.00 54.79 52.76 3ice n ASP 210 Cb 0.51 0.00 0.14 0.00 2.34 0.00 0.00 41.12 44.11 3ice n ASP 210 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 3ice n GLU 211 N 0.00 -0.85 -1.36 -0.67 4.07 -1.26 0.20 120.64 120.78 3ice n GLU 211 Ca 0.00 -0.22 -0.37 0.00 -0.06 0.00 0.00 57.16 56.51 3ice n GLU 211 Cb 0.00 -1.75 0.05 0.00 -0.06 0.00 0.00 31.44 29.68 3ice n GLU 211 CO 0.00 0.00 0.00 2.89 -0.06 0.00 0.00 177.13 179.96 3ice n ARG 212 N -1.69 0.39 0.08 5.31 1.85 -1.26 -4.05 116.66 117.29 3ice n ARG 212 Ca 0.04 0.17 -0.14 0.00 -1.00 0.00 0.00 57.85 56.91 3ice n ARG 212 Cb 0.58 -1.73 -0.07 0.00 -1.05 0.00 0.00 32.46 30.19 3ice n ARG 212 CO 0.00 0.00 0.00 -1.00 -0.01 0.00 0.00 177.63 176.62 3ice h PRO 213 N -0.07 0.37 -1.01 2.89 0.13 -1.96 -3.18 132.00 129.18 3ice h PRO 213 Ca -0.45 -0.46 0.08 0.00 -0.87 0.00 0.00 66.00 64.30 3ice h PRO 213 Cb 1.38 0.14 -0.07 0.00 0.13 0.00 0.00 31.00 32.58 3ice h PRO 213 CO 0.44 1.14 0.65 0.93 -0.23 0.00 0.00 178.00 180.93 3ice h GLU 214 N 0.19 1.09 -0.92 0.86 3.07 -1.99 0.25 114.58 117.12 3ice h GLU 214 Ca -0.10 -0.07 0.08 0.00 -0.50 0.00 0.00 59.36 58.78 3ice h GLU 214 Cb 1.69 -0.25 -0.06 0.00 -0.84 0.00 0.00 28.75 29.29 3ice h GLU 214 CO 0.18 0.72 0.60 0.93 -1.40 0.00 0.00 179.01 180.04 3ice h GLU 215 N 1.13 0.98 0.27 2.33 5.08 -1.93 0.17 114.58 122.61 3ice h GLU 215 Ca 0.45 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.74 3ice h GLU 215 Cb 0.26 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3ice h GLU 215 CO -0.20 0.65 -0.13 0.28 -1.00 0.00 0.00 179.01 178.61 3ice h VAL 216 N 1.01 0.75 0.11 3.13 2.07 -0.58 -3.20 116.25 119.54 3ice h VAL 216 Ca 0.41 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.86 3ice h VAL 216 Cb 0.28 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 3ice h VAL 216 CO -0.17 0.02 -0.19 0.74 0.02 0.00 0.00 177.57 177.99 3ice h THR 217 N -0.40 0.56 0.00 2.57 2.02 -0.51 -1.65 112.91 115.50 3ice h THR 217 Ca -0.04 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.14 3ice h THR 217 Cb 0.31 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 3ice h THR 217 CO 0.06 0.00 0.00 -0.62 0.37 0.00 0.00 175.52 175.33 3ice n GLU 218 N -5.32 0.00 0.00 6.66 -0.58 0.55 -2.82 120.64 119.13 3ice n GLU 218 Ca -0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 3ice n GLU 218 Cb 0.23 -0.92 0.00 0.00 -0.57 0.00 0.00 31.44 30.18 3ice n GLU 218 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3ice n GLN 220 N -0.09 0.00 0.21 3.49 10.64 -0.62 -2.47 117.38 128.53 3ice n GLN 220 Ca 0.00 0.00 0.08 0.00 -1.83 0.00 0.00 57.00 55.25 3ice n GLN 220 Cb 0.00 0.00 0.39 0.00 -0.86 0.00 0.00 30.24 29.77 3ice n GLN 220 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3ice h ARG 221 N 0.00 0.00 -0.01 2.61 3.08 -1.79 -3.26 114.38 115.02 3ice h ARG 221 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3ice h ARG 221 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3ice h ARG 221 CO 0.00 0.28 -0.30 -0.11 -1.07 0.00 0.00 179.97 178.78 3ice n LEU 222 N -3.43 1.15 -4.74 3.04 7.94 -1.03 -4.98 117.00 114.95 3ice n LEU 222 Ca 0.00 -0.71 -0.35 0.00 -1.11 0.00 0.00 56.01 53.84 3ice n LEU 222 Cb 0.47 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.34 3ice n LEU 222 CO 0.35 0.23 -0.27 -0.69 -1.11 0.00 0.00 177.39 175.90 3ice s VAL 223 N -1.60 4.60 -1.07 1.96 1.01 -1.23 -4.94 120.40 119.12 3ice s VAL 223 Ca 0.08 -0.21 -0.12 0.00 0.00 0.00 0.00 61.98 61.73 3ice s VAL 223 Cb 0.09 -2.99 0.24 0.00 0.00 0.00 0.00 36.38 33.72 3ice s VAL 223 CO 0.32 0.55 1.12 -0.54 0.00 0.00 0.00 175.10 176.55 3ice s LYS 224 N -1.11 4.04 0.00 2.72 -0.14 -1.26 -4.88 119.74 119.11 3ice s LYS 224 Ca 0.16 -2.87 0.00 0.00 -1.36 0.00 0.00 55.97 51.90 3ice s LYS 224 Cb -0.12 -4.66 0.00 0.00 -1.68 0.00 0.00 37.83 31.37 3ice s LYS 224 CO 0.05 -1.39 0.00 0.41 -0.76 0.00 0.00 175.35 173.66 3ice n GLY 225 N 3.38 -0.50 3.75 -3.33 0.00 -1.26 -4.91 105.19 102.32 3ice n GLY 225 Ca 0.25 -1.07 -0.40 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.84 4.84 -0.57 1.61 2.12 -1.09 -4.99 118.70 118.78 3ice s GLU 226 Ca 0.00 1.48 0.04 0.00 0.36 0.00 0.00 54.97 56.85 3ice s GLU 226 Cb 0.00 -3.29 0.17 0.00 0.26 0.00 0.00 34.13 31.27 3ice s GLU 226 CO 0.00 0.49 0.42 0.08 -0.54 0.00 0.00 175.26 175.71 3ice s VAL 227 N -1.06 1.72 0.27 3.70 1.01 -1.26 -1.21 120.40 123.56 3ice s VAL 227 Ca 0.41 -3.51 -0.29 0.00 0.00 0.00 0.00 61.98 58.59 3ice s VAL 227 Cb -0.26 -2.15 -0.09 0.00 0.00 0.00 0.00 36.38 33.88 3ice s VAL 227 CO 0.32 -1.11 0.97 -0.69 0.00 0.00 0.00 175.10 174.59 3ice s VAL 228 N -0.74 4.01 0.18 2.92 1.01 -0.08 -4.98 120.40 122.73 3ice s VAL 228 Ca 0.28 1.94 -0.20 0.00 0.00 0.00 0.00 61.98 64.00 3ice s VAL 228 Cb -0.01 -4.20 0.04 0.00 0.00 0.00 0.00 36.38 32.21 3ice s VAL 228 CO -0.18 0.40 0.56 0.00 0.00 0.00 0.00 175.10 175.89 3ice s ALA 229 N -1.27 -1.23 -0.29 5.51 0.00 -1.26 -1.44 121.76 121.78 3ice s ALA 229 Ca 0.44 0.06 0.03 0.00 0.00 0.00 0.00 51.96 52.49 3ice s ALA 229 Cb -0.25 0.85 0.17 0.00 0.00 0.00 0.00 23.12 23.88 3ice s ALA 229 CO 0.32 -0.80 0.46 0.45 0.00 0.00 0.00 175.76 176.18 3ice s SER 230 N -2.82 -0.17 0.96 0.00 0.15 0.20 -4.92 113.70 107.10 3ice s SER 230 Ca 0.05 -0.18 -0.11 0.00 0.70 0.00 0.00 55.95 56.42 3ice s SER 230 Cb -0.01 1.36 0.16 0.00 -1.71 0.00 0.00 66.02 65.82 3ice s SER 230 CO -0.07 -0.34 1.07 1.07 1.20 0.00 0.00 173.24 176.18 3ice n THR 231 N 5.37 0.00 0.32 6.45 5.66 -1.26 0.43 114.28 131.25 3ice n THR 231 Ca 0.01 -0.08 0.14 0.00 -3.05 0.00 0.00 64.05 61.08 3ice n THR 231 Cb 0.51 -0.97 0.62 0.00 -1.55 0.00 0.00 70.33 68.93 3ice n THR 231 CO 0.00 0.00 0.00 2.19 -3.05 0.00 0.00 175.07 174.21 3ice h PHE 232 N -2.00 0.00 -0.87 1.09 -5.15 0.22 -2.02 116.94 108.21 3ice h PHE 232 Ca -0.46 0.00 0.10 0.00 -0.20 0.00 0.00 57.97 57.42 3ice h PHE 232 Cb 1.28 0.00 -0.06 0.00 0.22 0.00 0.00 35.95 37.39 3ice h PHE 232 CO 0.46 0.00 0.56 0.22 -2.00 0.00 0.00 178.31 177.55 3ice h ASP 233 N 0.00 0.74 -3.57 -0.68 3.58 -1.90 -3.42 116.42 111.17 3ice h ASP 233 Ca 0.00 0.02 -0.52 0.00 0.42 0.00 0.00 57.03 56.96 3ice h ASP 233 Cb 0.30 -0.13 0.02 0.00 1.72 0.00 0.00 39.33 41.24 3ice h ASP 233 CO 0.00 0.43 0.53 -1.61 -2.88 0.00 0.00 179.24 175.71 3ice s GLU 234 N -5.76 4.53 1.05 0.28 0.41 -0.76 -5.01 118.70 113.44 3ice s GLU 234 Ca -0.10 1.86 -0.19 0.00 -0.41 0.00 0.00 54.97 56.12 3ice s GLU 234 Cb 0.21 -3.23 0.01 0.00 -1.78 0.00 0.00 34.13 29.34 3ice s GLU 234 CO 0.79 -0.01 -0.32 -2.30 -0.49 0.00 0.00 175.26 172.93 3ice n PRO 235 N 2.16 -0.90 0.28 0.39 -0.02 -1.26 -4.87 135.00 130.77 3ice n PRO 235 Ca 0.03 -0.25 0.17 0.00 -2.02 0.00 0.00 63.50 61.43 3ice n PRO 235 Cb 0.45 -1.52 0.72 0.00 -0.02 0.00 0.00 33.50 33.12 3ice n PRO 235 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ice h ALA 236 N -1.67 1.02 -0.17 3.55 0.00 -1.94 -3.29 119.26 116.76 3ice h ALA 236 Ca -0.48 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.29 3ice h ALA 236 Cb 1.35 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3ice h ALA 236 CO 0.33 0.04 -0.35 0.66 0.00 0.00 0.00 179.25 179.93 3ice h SER 237 N 0.00 0.60 0.10 0.00 4.64 -1.89 -2.67 113.55 114.33 3ice h SER 237 Ca -0.00 -0.55 -0.01 0.00 -0.47 0.00 0.00 61.79 60.76 3ice h SER 237 Cb 0.48 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3ice h SER 237 CO 0.00 1.04 -0.05 0.03 -0.87 0.00 0.00 176.83 176.99 3ice h ARG 238 N 0.19 -0.13 -0.88 4.77 3.08 -1.93 -1.60 114.38 117.87 3ice h ARG 238 Ca 0.01 0.01 0.21 0.00 0.07 0.00 0.00 59.98 60.27 3ice h ARG 238 Cb 0.94 0.03 -0.17 0.00 0.08 0.00 0.00 29.97 30.86 3ice h ARG 238 CO 0.08 0.11 -0.12 0.72 -1.07 0.00 0.00 179.97 179.69 3ice n HIS 239 N -5.04 0.42 0.35 3.04 8.25 -1.21 0.76 115.22 121.79 3ice n HIS 239 Ca -0.08 1.07 -0.17 0.00 -0.26 0.00 0.00 57.72 58.28 3ice n HIS 239 Cb 0.17 -1.08 -0.09 0.00 1.12 0.00 0.00 29.99 30.12 3ice n HIS 239 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3ice h VAL 240 N 0.00 0.31 -0.45 1.59 2.07 -1.12 -2.34 116.25 116.32 3ice h VAL 240 Ca 0.47 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.85 3ice h VAL 240 Cb 0.85 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 3ice h VAL 240 CO -0.88 0.02 0.27 1.56 0.02 0.00 0.00 177.57 178.56 3ice h GLN 241 N -0.98 0.61 -0.55 1.57 4.20 0.13 -0.28 115.11 119.82 3ice h GLN 241 Ca -0.09 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.56 3ice h GLN 241 Cb 0.70 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.33 3ice h GLN 241 CO 0.15 0.45 0.33 0.28 -0.67 0.00 0.00 178.83 179.37 3ice h VAL 242 N 0.59 1.16 -0.65 -0.54 2.07 0.26 -2.74 116.25 116.40 3ice h VAL 242 Ca 0.16 -0.37 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 3ice h VAL 242 Cb 0.00 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.17 3ice h VAL 242 CO -0.03 0.17 0.23 0.00 0.02 0.00 0.00 177.57 177.96 3ice h ALA 243 N 1.16 0.85 0.00 1.67 0.00 -1.14 -2.18 119.26 119.62 3ice h ALA 243 Ca 0.20 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ice h ALA 243 Cb -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.53 3ice h ALA 243 CO -0.04 0.49 0.00 0.39 0.00 0.00 0.00 179.25 180.10 3ice n GLU 244 N -4.38 0.41 0.00 0.00 1.02 -0.14 -1.22 120.64 116.33 3ice n GLU 244 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 3ice n GLU 244 Cb 0.19 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 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 0.94 0.00 -0.13 2.62 0.31 -0.82 -1.96 118.33 119.29 3ice n VAL 246 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 3ice n VAL 246 Cb 0.21 0.00 0.22 0.00 -0.91 0.00 0.00 33.84 33.36 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 1.21 -0.32 2.52 6.09 -1.45 -0.60 117.51 124.96 3ice h ILE 247 Ca 0.00 -0.69 -0.06 0.00 -1.37 0.00 0.00 64.86 62.74 3ice h ILE 247 Cb 0.00 0.57 -0.01 0.00 0.47 0.00 0.00 36.82 37.85 3ice h ILE 247 CO 0.00 0.27 -0.02 -0.33 -3.07 0.00 0.00 178.15 175.00 3ice h GLU 248 N 0.81 0.58 -0.86 2.19 4.39 -1.65 -1.27 114.58 118.77 3ice h GLU 248 Ca 0.19 -0.20 0.04 0.00 0.34 0.00 0.00 59.36 59.73 3ice h GLU 248 Cb 0.20 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.75 3ice h GLU 248 CO -0.01 0.73 0.55 -0.22 -1.16 0.00 0.00 179.01 178.90 3ice h LYS 249 N 0.38 1.03 -0.67 2.33 3.64 -1.59 -0.88 116.57 120.81 3ice h LYS 249 Ca 0.09 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.34 3ice h LYS 249 Cb 0.48 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 3ice h LYS 249 CO 0.02 0.68 0.17 0.00 -2.27 0.00 0.00 179.45 178.05 3ice h ALA 250 N 1.37 1.03 -0.15 5.00 0.00 -0.89 -2.03 119.26 123.59 3ice h ALA 250 Ca 0.35 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3ice h ALA 250 Cb 0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3ice h ALA 250 CO -0.13 0.64 -0.23 0.87 0.00 0.00 0.00 179.25 180.40 3ice h LYS 251 N 1.01 0.27 0.03 0.00 1.57 -0.53 -2.92 116.57 115.99 3ice h LYS 251 Ca 0.21 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3ice h LYS 251 Cb 0.35 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.63 3ice h LYS 251 CO 0.00 0.49 -0.01 0.00 -0.57 0.00 0.00 179.45 179.36 3ice h ARG 252 N 0.25 -0.04 -0.40 3.15 2.47 -0.45 -2.78 114.38 116.58 3ice h ARG 252 Ca 0.04 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.68 3ice h ARG 252 Cb 0.55 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.86 3ice h ARG 252 CO 0.04 0.02 -0.08 -0.07 0.56 0.00 0.00 179.97 180.43 3ice h LEU 253 N -0.09 0.68 -1.79 3.04 3.38 -1.39 -1.93 115.31 117.21 3ice h LEU 253 Ca -0.00 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 3ice h LEU 253 Cb 0.08 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 3ice h LEU 253 CO 0.01 0.80 -0.14 0.58 0.09 0.00 0.00 178.44 179.78 3ice h VAL 254 N 0.64 0.96 0.00 1.22 2.07 -1.45 0.14 116.25 119.83 3ice h VAL 254 Ca 0.12 -0.51 -0.04 0.00 0.82 0.00 0.00 66.70 67.08 3ice h VAL 254 Cb 0.52 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 3ice h VAL 254 CO 0.03 0.14 -0.21 -0.33 0.02 0.00 0.00 177.57 177.22 3ice h GLU 255 N 0.00 0.00 -0.00 1.57 5.08 -1.06 -0.45 114.58 119.72 3ice h GLU 255 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ice h GLU 255 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3ice h GLU 255 CO 0.02 0.21 0.00 0.72 -1.00 0.00 0.00 179.01 178.95 3ice n HIS 256 N -4.07 0.00 -2.45 4.33 8.25 0.45 -4.68 115.22 117.05 3ice n HIS 256 Ca -0.02 -0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.35 3ice n HIS 256 Cb 0.28 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.40 3ice n HIS 256 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3ice n LYS 257 N -0.69 -1.64 -3.46 -0.41 5.02 -0.18 -4.95 118.16 111.85 3ice n LYS 257 Ca 0.23 0.40 -0.20 0.00 -2.02 0.00 0.00 58.31 56.72 3ice n LYS 257 Cb 0.17 -4.25 -0.00 0.00 -0.02 0.00 0.00 35.03 30.93 3ice n LYS 257 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3ice s LYS 258 N -4.83 3.15 -0.33 1.97 1.02 -0.89 -3.09 119.74 116.73 3ice s LYS 258 Ca 0.09 -0.92 -0.09 0.00 0.02 0.00 0.00 55.97 55.06 3ice s LYS 258 Cb -0.04 -2.80 0.01 0.00 -0.52 0.00 0.00 37.83 34.49 3ice s LYS 258 CO 0.11 0.06 0.15 -0.51 -0.92 0.00 0.00 175.35 174.24 3ice s ASP 259 N -4.16 5.51 -0.10 2.83 1.01 -1.26 -1.27 116.67 119.24 3ice s ASP 259 Ca 0.44 -0.80 0.00 0.00 0.71 0.00 0.00 52.55 52.90 3ice s ASP 259 Cb -0.10 -1.97 -0.02 0.00 1.01 0.00 0.00 42.92 41.84 3ice s ASP 259 CO 0.32 -0.28 -0.10 -0.69 0.21 0.00 0.00 175.17 174.62 3ice s VAL 260 N 1.55 3.37 -0.12 -1.27 1.01 0.18 0.35 120.40 125.46 3ice s VAL 260 Ca 0.03 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.44 3ice s VAL 260 Cb -0.18 -2.39 0.02 0.00 0.00 0.00 0.00 36.38 33.82 3ice s VAL 260 CO 0.05 0.56 -0.12 -0.63 0.00 0.00 0.00 175.10 174.95 3ice s ILE 261 N -0.23 1.36 -0.28 2.22 1.09 -0.53 -0.32 121.20 124.51 3ice s ILE 261 Ca 0.02 -0.52 -0.06 0.00 -1.10 0.00 0.00 60.65 58.99 3ice s ILE 261 Cb -0.13 -1.29 0.01 0.00 -1.06 0.00 0.00 42.46 39.99 3ice s ILE 261 CO 0.03 0.42 0.05 -0.63 -0.10 0.00 0.00 174.94 174.70 3ice s ILE 262 N 1.34 3.78 -1.14 2.92 1.01 0.84 -4.58 121.20 125.39 3ice s ILE 262 Ca 0.00 -0.67 -0.12 0.00 0.00 0.00 0.00 60.65 59.86 3ice s ILE 262 Cb -0.14 -2.91 0.21 0.00 0.01 0.00 0.00 42.46 39.64 3ice s ILE 262 CO -0.06 0.16 1.26 -0.76 0.00 0.00 0.00 174.94 175.53 3ice s LEU 263 N 1.48 5.65 0.15 2.97 1.43 -1.26 -1.87 118.68 127.23 3ice s LEU 263 Ca 0.03 -3.18 -0.30 0.00 -1.03 0.00 0.00 54.13 49.65 3ice s LEU 263 Cb -0.17 -2.31 -0.07 0.00 0.03 0.00 0.00 46.19 43.67 3ice s LEU 263 CO 0.01 -0.57 1.09 -0.22 0.23 0.00 0.00 176.35 176.89 3ice s LEU 264 N 0.42 4.47 -0.15 1.79 2.96 -0.93 -3.31 118.68 123.93 3ice s LEU 264 Ca 0.36 2.03 -0.03 0.00 -0.22 0.00 0.00 54.13 56.28 3ice s LEU 264 Cb -0.06 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 43.00 3ice s LEU 264 CO -0.04 -0.24 -0.05 -0.62 -1.32 0.00 0.00 176.35 174.08 3ice s ASP 265 N 0.09 4.69 -0.56 3.68 2.15 -0.55 -2.62 116.67 123.55 3ice s ASP 265 Ca 0.50 -0.15 -0.01 0.00 0.43 0.00 0.00 52.55 53.33 3ice s ASP 265 Cb -0.28 -1.73 -0.01 0.00 -0.30 0.00 0.00 42.92 40.60 3ice s ASP 265 CO 0.33 0.18 0.47 -1.20 -0.17 0.00 0.00 175.17 174.79 3ice n SER 266 N 3.44 -2.79 0.27 -0.34 7.64 -1.25 -3.66 113.62 116.93 3ice n SER 266 Ca -0.17 -0.32 0.09 0.00 1.01 0.00 0.00 58.87 59.48 3ice n SER 266 Cb 0.53 -2.76 0.69 0.00 -1.01 0.00 0.00 64.21 61.66 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 -0.78 0.91 -0.14 0.44 2.10 -1.60 -0.78 117.51 117.66 3ice h ILE 267 Ca -0.29 -0.02 -0.11 0.00 1.08 0.00 0.00 64.86 65.52 3ice h ILE 267 Cb 1.16 1.01 -0.01 0.00 -1.09 0.00 0.00 36.82 37.89 3ice h ILE 267 CO 0.23 0.01 -0.38 0.71 -1.08 0.00 0.00 178.15 177.63 3ice h THR 268 N 0.00 1.30 -0.49 2.19 1.35 -1.91 -1.91 112.91 113.44 3ice h THR 268 Ca -0.00 -1.48 -0.06 0.00 -0.55 0.00 0.00 66.41 64.32 3ice h THR 268 Cb 0.01 1.62 -0.02 0.00 -1.73 0.00 0.00 68.15 68.03 3ice h THR 268 CO 0.00 0.45 0.04 0.03 -0.25 0.00 0.00 175.52 175.79 3ice h ARG 269 N 0.26 0.78 -0.25 4.72 2.47 -1.50 -0.63 114.38 120.24 3ice h ARG 269 Ca 0.03 -0.19 -0.01 0.00 -1.26 0.00 0.00 59.98 58.55 3ice h ARG 269 Cb 0.80 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 29.00 3ice h ARG 269 CO 0.06 0.76 0.14 1.25 0.56 0.00 0.00 179.97 182.74 3ice h LEU 270 N 0.74 0.31 -1.34 3.04 5.85 -1.17 0.16 115.31 122.90 3ice h LEU 270 Ca 0.15 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.80 3ice h LEU 270 Cb 0.39 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 3ice h LEU 270 CO 0.01 0.31 0.46 0.00 -0.34 0.00 0.00 178.44 178.88 3ice h ALA 271 N 1.01 1.56 -0.18 1.25 0.00 -0.97 0.21 119.26 122.15 3ice h ALA 271 Ca 0.09 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.77 3ice h ALA 271 Cb 0.07 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3ice h ALA 271 CO -0.01 0.38 -0.65 0.00 0.00 0.00 0.00 179.25 178.97 3ice h ARG 272 N 0.88 0.68 -0.22 0.00 3.08 -0.72 0.23 114.38 118.32 3ice h ARG 272 Ca 0.27 -0.49 -0.06 0.00 0.07 0.00 0.00 59.98 59.77 3ice h ARG 272 Cb -0.01 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 3ice h ARG 272 CO -0.07 1.11 -0.11 0.00 -1.07 0.00 0.00 179.97 179.83 3ice h ALA 273 N 0.77 1.42 -0.38 0.04 0.00 0.06 0.22 119.26 121.39 3ice h ALA 273 Ca -0.02 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.51 3ice h ALA 273 Cb 1.24 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3ice h ALA 273 CO 0.13 0.40 -0.39 1.88 0.00 0.00 0.00 179.25 181.27 3ice h TYR 274 N 0.33 1.10 0.01 0.00 0.05 -0.73 -2.28 116.97 115.44 3ice h TYR 274 Ca 0.07 -0.33 -0.00 0.00 0.05 0.00 0.00 58.73 58.52 3ice h TYR 274 Cb 0.40 -0.23 0.00 0.00 1.01 0.00 0.00 36.73 37.91 3ice h TYR 274 CO 0.01 1.15 -0.00 -0.97 -1.05 0.00 0.00 178.16 177.30 3ice h ASN 275 N 0.75 -0.01 -0.97 3.88 -1.24 0.26 -2.82 115.58 115.43 3ice h ASN 275 Ca 0.06 -0.19 0.06 0.00 0.71 0.00 0.00 56.30 56.94 3ice h ASN 275 Cb 0.98 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 39.97 3ice h ASN 275 CO 0.09 0.19 0.63 0.74 -1.29 0.00 0.00 177.43 177.79 3ice h THR 276 N -0.20 1.09 -3.62 -3.57 2.02 -0.68 -3.31 112.91 104.65 3ice h THR 276 Ca -0.00 -0.39 -0.75 0.00 0.77 0.00 0.00 66.41 66.04 3ice h THR 276 Cb 0.20 -0.15 -0.29 0.00 -1.74 0.00 0.00 68.15 66.16 3ice h THR 276 CO 0.00 0.21 -0.13 -0.69 0.37 0.00 0.00 175.52 175.28 3ice s VAL 277 N -6.00 4.83 -0.28 3.16 1.01 -0.86 -5.00 120.40 117.26 3ice s VAL 277 Ca -0.12 -2.46 -0.22 0.00 0.00 0.00 0.00 61.98 59.17 3ice s VAL 277 Cb 0.20 -4.06 0.13 0.00 0.00 0.00 0.00 36.38 32.65 3ice s VAL 277 CO 0.81 -0.94 1.01 0.54 0.00 0.00 0.00 175.10 176.52 3ice s VAL 278 N 0.35 0.00 0.23 2.92 0.11 -1.23 -4.67 120.40 118.11 3ice s VAL 278 Ca 0.15 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 58.89 3ice s VAL 278 Cb -0.17 -1.00 -0.15 0.00 -1.53 0.00 0.00 36.38 33.54 3ice s VAL 278 CO -0.05 0.00 1.17 -2.65 -3.33 0.00 0.00 175.10 170.23 3ice n PRO 279 N 2.72 1.43 -2.24 1.54 -0.02 -1.26 -4.90 135.00 132.27 3ice n PRO 279 Ca -0.14 0.51 -0.40 0.00 -2.02 0.00 0.00 63.50 61.44 3ice n PRO 279 Cb 0.56 -2.00 -0.02 0.00 -0.02 0.00 0.00 33.50 32.02 3ice n PRO 279 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ice s ALA 280 N -0.46 3.38 0.07 3.55 0.00 -1.26 -5.04 121.76 121.99 3ice s ALA 280 Ca 0.67 1.10 0.07 0.00 0.00 0.00 0.00 51.96 53.80 3ice s ALA 280 Cb -0.75 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 18.92 3ice s ALA 280 CO 0.54 -0.51 -0.19 -1.12 0.00 0.00 0.00 175.76 174.48 3ice s SER 281 N -0.75 2.28 0.39 0.00 0.01 -1.26 -5.04 113.70 109.32 3ice s SER 281 Ca 0.50 -0.58 0.08 0.00 1.31 0.00 0.00 55.95 57.26 3ice s SER 281 Cb -0.36 -0.15 0.84 0.00 0.21 0.00 0.00 66.02 66.56 3ice s SER 281 CO 0.46 0.08 1.97 1.23 0.41 0.00 0.00 173.24 177.39 3ice h GLY 282 N 4.51 0.82 -4.10 3.44 0.00 -2.06 -3.42 103.07 102.26 3ice h GLY 282 Ca -0.43 -0.26 -0.55 0.00 0.00 0.00 0.00 47.33 46.09 3ice h GLY 282 CO 0.42 0.18 -0.02 0.54 0.00 0.00 0.00 176.54 177.66 3ice s LYS 283 N -5.58 4.10 -0.03 4.80 1.02 -1.26 -5.09 119.74 117.71 3ice s LYS 283 Ca -0.09 0.65 0.02 0.00 0.02 0.00 0.00 55.97 56.57 3ice s LYS 283 Cb 0.19 -2.98 0.00 0.00 -0.52 0.00 0.00 37.83 34.52 3ice s LYS 283 CO 0.76 0.49 -0.09 0.14 -0.92 0.00 0.00 175.35 175.73 3ice s VAL 284 N -1.41 0.76 0.82 3.17 -7.23 -1.26 -3.64 120.40 111.61 3ice s VAL 284 Ca 0.37 -0.35 -0.12 0.00 -1.81 0.00 0.00 61.98 60.08 3ice s VAL 284 Cb -0.16 -0.68 0.08 0.00 0.56 0.00 0.00 36.38 36.18 3ice s VAL 284 CO 0.20 0.24 1.10 -0.76 -0.31 0.00 0.00 175.10 175.57 3ice s LEU 285 N 0.22 2.51 0.34 1.32 1.43 0.11 -4.78 118.68 119.83 3ice s LEU 285 Ca -0.03 1.29 -0.29 0.00 -1.03 0.00 0.00 54.13 54.07 3ice s LEU 285 Cb -0.09 -3.86 -0.12 0.00 0.03 0.00 0.00 46.19 42.15 3ice s LEU 285 CO 0.00 -2.09 1.45 1.07 0.23 0.00 0.00 176.35 177.01 3ice n THR 286 N -3.51 1.71 -0.02 5.49 5.66 -1.26 -2.15 114.28 120.20 3ice n THR 286 Ca 0.07 -0.43 0.00 0.00 -3.05 0.00 0.00 64.05 60.64 3ice n THR 286 Cb 0.56 -1.82 0.00 0.00 -1.55 0.00 0.00 70.33 67.52 3ice n THR 286 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3ice n GLY 287 N 1.04 0.29 0.99 1.09 0.00 -1.26 -4.19 105.19 103.15 3ice n GLY 287 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.00 3.35 3.74 -0.02 0.00 -0.91 -4.68 105.19 104.67 3ice n GLY 288 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.49 2.22 0.49 1.61 0.11 -1.24 -4.67 120.40 116.43 3ice s VAL 289 Ca 0.00 0.18 -0.24 0.00 -2.93 0.00 0.00 61.98 58.99 3ice s VAL 289 Cb 0.00 -3.11 -0.07 0.00 -1.53 0.00 0.00 36.38 31.67 3ice s VAL 289 CO 0.00 0.02 1.35 -0.62 -3.33 0.00 0.00 175.10 172.52 3ice s ASP 290 N 0.70 5.71 0.31 3.54 -1.08 -1.26 0.06 116.67 124.64 3ice s ASP 290 Ca 0.66 2.75 -0.01 0.00 -0.52 0.00 0.00 52.55 55.43 3ice s ASP 290 Cb -0.47 -2.64 0.49 0.00 -1.46 0.00 0.00 42.92 38.84 3ice s ASP 290 CO 0.42 -1.27 1.94 0.00 0.52 0.00 0.00 175.17 176.78 3ice h ALA 291 N 1.97 1.40 -0.45 3.66 0.00 -1.86 -2.93 119.26 121.04 3ice h ALA 291 Ca -0.51 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.25 3ice h ALA 291 Cb 1.28 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 3ice h ALA 291 CO 0.60 0.51 0.05 -1.71 0.00 0.00 0.00 179.25 178.69 3ice n ASN 292 N -4.38 4.50 -1.36 0.00 5.15 -1.26 -4.54 115.26 113.36 3ice n ASN 292 Ca 0.07 -3.10 0.12 0.00 -0.60 0.00 0.00 54.58 51.07 3ice n ASN 292 Cb 0.09 -0.63 0.32 0.00 -0.53 0.00 0.00 39.78 39.02 3ice n ASN 292 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3ice n ALA 293 N -0.18 2.38 0.23 5.20 0.00 -1.11 -4.34 120.51 122.70 3ice n ALA 293 Ca 0.28 -1.28 0.03 0.00 0.00 0.00 0.00 53.44 52.46 3ice n ALA 293 Cb 1.09 -0.93 -0.00 0.00 0.00 0.00 0.00 19.45 19.60 3ice n ALA 293 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3ice n LEU 294 N 1.68 0.80 0.06 0.00 4.77 -1.26 -4.54 117.00 118.52 3ice n LEU 294 Ca 0.25 -0.73 -0.11 0.00 -0.03 0.00 0.00 56.01 55.38 3ice n LEU 294 Cb 0.63 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.67 3ice n LEU 294 CO 0.17 0.17 0.77 -0.74 -1.33 0.00 0.00 177.39 176.43 3ice h HIS 295 N 0.51 -0.38 -0.31 -1.77 2.76 -1.92 -0.84 115.15 113.20 3ice h HIS 295 Ca 0.00 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.18 3ice h HIS 295 Cb 0.17 0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.28 3ice h HIS 295 CO 0.00 -0.22 0.18 0.00 -1.30 0.00 0.00 177.93 176.59 3ice h ARG 296 N -0.26 0.43 -1.01 5.26 3.08 -1.90 -0.95 114.38 119.04 3ice h ARG 296 Ca 0.04 -0.05 0.09 0.00 0.07 0.00 0.00 59.98 60.14 3ice h ARG 296 Cb 0.31 -0.09 -0.08 0.00 0.08 0.00 0.00 29.97 30.20 3ice h ARG 296 CO -0.13 0.35 0.64 -1.35 -1.07 0.00 0.00 179.97 178.42 3ice h PRO 297 N 0.39 1.06 0.13 0.04 0.11 -1.80 -1.29 132.00 130.64 3ice h PRO 297 Ca 0.11 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.15 3ice h PRO 297 Cb 0.04 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 30.91 3ice h PRO 297 CO -0.02 0.70 -0.06 0.87 -0.21 0.00 0.00 178.00 179.28 3ice h LYS 298 N 1.09 -0.17 -0.87 1.05 1.57 -0.48 -1.76 116.57 116.99 3ice h LYS 298 Ca 0.47 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.24 3ice h LYS 298 Cb 0.33 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.64 3ice h LYS 298 CO -0.22 0.06 0.45 -0.09 -0.57 0.00 0.00 179.45 179.08 3ice h ARG 299 N -0.38 1.24 0.12 3.15 2.43 -1.04 0.40 114.38 120.29 3ice h ARG 299 Ca -0.02 -0.16 -0.01 0.00 -0.81 0.00 0.00 59.98 58.99 3ice h ARG 299 Cb 0.31 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 3ice h ARG 299 CO 0.03 0.92 -0.06 0.35 -1.51 0.00 0.00 179.97 179.70 3ice h PHE 300 N 1.23 -0.15 -0.27 2.20 3.57 -1.18 -1.65 116.94 120.70 3ice h PHE 300 Ca 0.30 -0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.66 3ice h PHE 300 Cb 0.07 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 3ice h PHE 300 CO 0.01 -0.07 -0.42 0.35 -2.23 0.00 0.00 178.31 175.95 3ice h PHE 301 N -0.19 0.80 0.00 0.41 3.57 -1.07 -2.52 116.94 117.95 3ice h PHE 301 Ca -0.02 -0.24 0.00 0.00 3.53 0.00 0.00 57.97 61.24 3ice h PHE 301 Cb 0.15 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.72 3ice h PHE 301 CO -0.06 0.98 0.00 0.41 -2.23 0.00 0.00 178.31 177.40 3ice n GLY 302 N 0.07 -0.79 0.32 2.40 0.00 0.14 -3.32 105.19 104.00 3ice n GLY 302 Ca -0.02 -0.15 -0.07 0.00 0.00 0.00 0.00 46.02 45.78 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 3.48 0.94 -2.27 4.61 0.00 -0.83 -3.43 119.26 121.75 3ice h ALA 303 Ca 0.00 -0.21 -0.59 0.00 0.00 0.00 0.00 54.91 54.11 3ice h ALA 303 Cb 0.02 -0.28 0.11 0.00 0.00 0.00 0.00 17.79 17.64 3ice h ALA 303 CO 0.00 0.60 0.37 0.00 0.00 0.00 0.00 179.25 180.22 3ice n ALA 304 N -2.43 0.62 -3.86 0.00 0.00 -1.21 -4.90 120.51 108.74 3ice n ALA 304 Ca 0.06 0.38 -0.01 0.00 0.00 0.00 0.00 53.44 53.87 3ice n ALA 304 Cb 0.21 -2.16 0.01 0.00 0.00 0.00 0.00 19.45 17.51 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 -1.52 0.92 0.01 0.00 1.70 0.15 -4.81 118.95 115.39 3ice s ARG 305 Ca 0.59 -0.57 0.05 0.00 -0.47 0.00 0.00 55.73 55.32 3ice s ARG 305 Cb -0.64 0.27 -0.03 0.00 -0.57 0.00 0.00 34.95 33.98 3ice s ARG 305 CO 0.60 -0.43 -0.12 1.21 -1.08 0.00 0.00 175.30 175.48 3ice s ASN 306 N -3.40 4.27 -0.04 -2.89 2.47 -1.25 -1.69 114.94 112.41 3ice s ASN 306 Ca 0.22 -0.25 0.05 0.00 0.42 0.00 0.00 52.86 53.29 3ice s ASN 306 Cb -0.01 -0.89 -0.00 0.00 -1.45 0.00 0.00 41.25 38.90 3ice s ASN 306 CO 0.02 0.28 -0.18 -0.69 -3.72 0.00 0.00 177.10 172.81 3ice s VAL 307 N -0.95 1.48 0.20 -5.21 1.01 -1.22 -1.85 120.40 113.86 3ice s VAL 307 Ca 0.16 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.39 3ice s VAL 307 Cb -0.11 -1.27 -0.08 0.00 0.00 0.00 0.00 36.38 34.93 3ice s VAL 307 CO 0.06 0.42 1.49 -0.33 0.00 0.00 0.00 175.10 176.75 3ice h GLU 308 N 6.18 0.36 -0.51 2.72 5.08 -1.76 -3.04 114.58 123.61 3ice h GLU 308 Ca -0.33 -0.27 0.10 0.00 -1.00 0.00 0.00 59.36 57.87 3ice h GLU 308 Cb 1.17 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.44 3ice h GLU 308 CO 0.48 0.89 0.35 0.93 -1.00 0.00 0.00 179.01 180.66 3ice h GLU 309 N 0.26 0.24 0.00 2.33 3.07 -1.95 -3.48 114.58 115.04 3ice h GLU 309 Ca -0.02 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 3ice h GLU 309 Cb 1.20 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.06 3ice h GLU 309 CO 0.11 0.16 0.00 0.41 -1.40 0.00 0.00 179.01 178.29 3ice n GLY 310 N -1.56 3.78 0.00 -3.84 0.00 -1.15 -4.98 105.19 97.45 3ice n GLY 310 Ca 0.08 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.48 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 -1.33 -2.14 3.35 -0.02 0.00 -1.18 -4.18 105.19 99.69 3ice n GLY 311 Ca 0.00 -1.49 -0.12 0.00 0.00 0.00 0.00 46.02 44.41 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 -4.46 -0.34 -0.14 1.61 1.04 -0.39 -3.38 113.70 107.64 3ice s SER 312 Ca 0.00 -0.08 0.01 0.00 0.48 0.00 0.00 55.95 56.36 3ice s SER 312 Cb 0.00 0.48 0.02 0.00 0.10 0.00 0.00 66.02 66.62 3ice s SER 312 CO 0.00 -0.79 -0.16 -0.22 0.98 0.00 0.00 173.24 173.05 3ice s LEU 313 N -2.41 1.77 -0.14 2.42 2.96 -0.68 -0.65 118.68 121.94 3ice s LEU 313 Ca -0.01 -0.50 0.02 0.00 -0.22 0.00 0.00 54.13 53.42 3ice s LEU 313 Cb 0.00 -1.21 0.01 0.00 0.50 0.00 0.00 46.19 45.50 3ice s LEU 313 CO -0.07 -0.02 -0.20 -0.89 -1.32 0.00 0.00 176.35 173.84 3ice s THR 314 N 1.28 1.95 -0.14 3.68 2.01 0.56 0.31 115.64 125.29 3ice s THR 314 Ca 0.01 -0.90 0.02 0.00 0.31 0.00 0.00 61.69 61.13 3ice s THR 314 Cb -0.14 -1.74 0.01 0.00 0.01 0.00 0.00 72.50 70.65 3ice s THR 314 CO -0.08 0.53 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.56 3ice s ILE 315 N 0.98 1.86 -0.13 1.82 1.01 -1.19 -0.11 121.20 125.45 3ice s ILE 315 Ca -0.04 -0.85 -0.00 0.00 0.00 0.00 0.00 60.65 59.76 3ice s ILE 315 Cb -0.15 -1.68 0.03 0.00 0.01 0.00 0.00 42.46 40.67 3ice s ILE 315 CO -0.05 0.51 -0.08 -0.63 0.00 0.00 0.00 174.94 174.69 3ice s ILE 316 N 1.05 1.15 0.28 2.92 1.01 -0.78 -1.32 121.20 125.50 3ice s ILE 316 Ca -0.03 -0.43 0.06 0.00 0.00 0.00 0.00 60.65 60.25 3ice s ILE 316 Cb -0.14 -1.18 -0.06 0.00 0.01 0.00 0.00 42.46 41.08 3ice s ILE 316 CO -0.05 0.33 -0.03 0.00 0.00 0.00 0.00 174.94 175.19 3ice s ALA 317 N 1.65 2.27 -0.02 9.38 0.00 -1.22 -2.20 121.76 131.61 3ice s ALA 317 Ca 0.04 -1.91 -0.15 0.00 0.00 0.00 0.00 51.96 49.94 3ice s ALA 317 Cb -0.13 0.30 -0.05 0.00 0.00 0.00 0.00 23.12 23.24 3ice s ALA 317 CO -0.09 -0.14 0.42 0.95 0.00 0.00 0.00 175.76 176.90 3ice s THR 318 N -3.12 5.06 0.04 0.00 -4.23 -1.08 -0.13 115.64 112.18 3ice s THR 318 Ca 0.30 0.85 0.08 0.00 -1.18 0.00 0.00 61.69 61.74 3ice s THR 318 Cb 0.05 -3.73 -0.03 0.00 1.34 0.00 0.00 72.50 70.14 3ice s THR 318 CO 0.12 0.53 -0.23 0.00 -0.54 0.00 0.00 174.62 174.49 3ice s ALA 319 N -0.73 1.98 -0.09 3.99 0.00 0.20 -1.73 121.76 125.38 3ice s ALA 319 Ca 0.24 -1.13 -0.02 0.00 0.00 0.00 0.00 51.96 51.04 3ice s ALA 319 Cb -0.16 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.51 3ice s ALA 319 CO 0.12 0.46 0.02 -0.51 0.00 0.00 0.00 175.76 175.85 3ice s LEU 320 N -1.11 3.67 0.30 0.00 1.43 -1.26 -1.72 118.68 119.99 3ice s LEU 320 Ca 0.09 0.18 0.02 0.00 -1.03 0.00 0.00 54.13 53.40 3ice s LEU 320 Cb -0.09 -1.85 -0.05 0.00 0.03 0.00 0.00 46.19 44.22 3ice s LEU 320 CO 0.01 0.38 0.10 0.27 0.23 0.00 0.00 176.35 177.34 3ice s ILE 321 N -0.91 0.72 -1.63 -0.59 -4.36 -1.19 -4.41 121.20 108.83 3ice s ILE 321 Ca 0.14 -2.00 -0.17 0.00 -0.26 0.00 0.00 60.65 58.36 3ice s ILE 321 Cb -0.11 -2.64 0.13 0.00 1.25 0.00 0.00 42.46 41.08 3ice s ILE 321 CO 0.03 0.00 0.88 -0.67 0.24 0.00 0.00 174.94 175.42 3ice n ASP 322 N -0.67 -4.05 -0.03 4.36 2.03 -1.26 -4.13 116.55 112.80 3ice n ASP 322 Ca -0.01 -0.90 -0.16 0.00 0.52 0.00 0.00 54.79 54.24 3ice n ASP 322 Cb 0.66 -3.27 -0.06 0.00 -0.72 0.00 0.00 41.12 37.73 3ice n ASP 322 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 3ice h THR 323 N -1.76 1.28 0.00 5.18 2.02 -1.97 -3.47 112.91 114.20 3ice h THR 323 Ca -0.58 -1.94 0.00 0.00 0.77 0.00 0.00 66.41 64.65 3ice h THR 323 Cb 1.38 1.93 0.00 0.00 -1.74 0.00 0.00 68.15 69.72 3ice h THR 323 CO 0.73 0.62 0.00 0.61 0.37 0.00 0.00 175.52 177.85 3ice n GLY 324 N 0.63 0.81 3.37 2.16 0.00 -1.26 -5.08 105.19 105.81 3ice n GLY 324 Ca -0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.50 2.55 -1.12 1.61 0.15 -1.26 -5.13 113.70 109.01 3ice s SER 325 Ca 0.00 -1.10 -0.03 0.00 0.70 0.00 0.00 55.95 55.52 3ice s SER 325 Cb 0.00 -0.13 0.27 0.00 -1.71 0.00 0.00 66.02 64.45 3ice s SER 325 CO 0.00 -0.26 1.88 0.29 1.20 0.00 0.00 173.24 176.35 3ice n LYS 326 N -0.45 4.97 0.00 5.44 4.76 -1.26 -4.15 118.16 127.48 3ice n LYS 326 Ca -0.07 -4.33 0.00 0.00 -2.87 0.00 0.00 58.31 51.05 3ice n LYS 326 Cb 0.62 -2.54 0.00 0.00 -1.84 0.00 0.00 35.03 31.27 3ice n LYS 326 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3ice n ASP 328 N 0.83 0.00 -0.01 4.39 9.92 -1.26 0.54 116.55 130.96 3ice n ASP 328 Ca 0.46 0.00 -0.08 0.00 -0.53 0.00 0.00 54.79 54.64 3ice n ASP 328 Cb 0.28 0.00 0.09 0.00 -0.64 0.00 0.00 41.12 40.85 3ice n ASP 328 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 3ice h GLU 329 N 0.00 0.59 -0.41 -1.24 5.08 -1.77 -1.21 114.58 115.62 3ice h GLU 329 Ca 0.00 -0.31 -0.08 0.00 -1.00 0.00 0.00 59.36 57.97 3ice h GLU 329 Cb 0.00 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3ice h GLU 329 CO 0.00 0.90 -0.05 0.28 -1.00 0.00 0.00 179.01 179.14 3ice h VAL 330 N 0.48 1.27 -0.23 3.13 2.07 -0.26 -2.21 116.25 120.49 3ice h VAL 330 Ca 0.04 -1.12 -0.11 0.00 0.82 0.00 0.00 66.70 66.33 3ice h VAL 330 Cb 0.94 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 3ice h VAL 330 CO 0.08 0.38 -0.31 0.40 0.02 0.00 0.00 177.57 178.14 3ice h ILE 331 N 0.59 1.28 -0.40 4.57 2.04 -1.73 -0.82 117.51 123.03 3ice h ILE 331 Ca 0.11 -1.37 -0.00 0.00 1.00 0.00 0.00 64.86 64.60 3ice h ILE 331 Cb 0.56 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 38.07 3ice h ILE 331 CO 0.03 0.43 0.25 0.22 0.00 0.00 0.00 178.15 179.08 3ice h TYR 332 N 0.40 0.53 -0.26 1.37 3.20 -1.09 -2.06 116.97 119.06 3ice h TYR 332 Ca 0.05 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.87 3ice h TYR 332 Cb 0.74 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.82 3ice h TYR 332 CO 0.02 0.38 -0.05 0.93 -1.64 0.00 0.00 178.16 177.79 3ice h GLU 333 N 0.53 0.40 -0.07 1.82 4.39 -0.98 -0.44 114.58 120.24 3ice h GLU 333 Ca 0.15 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 3ice h GLU 333 Cb -0.00 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.59 3ice h GLU 333 CO -0.03 0.47 -0.02 1.49 -1.16 0.00 0.00 179.01 179.76 3ice h GLU 334 N 0.38 0.13 0.00 2.33 4.57 -0.67 -2.64 114.58 118.68 3ice h GLU 334 Ca 0.08 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.16 3ice h GLU 334 Cb 0.34 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.92 3ice h GLU 334 CO 0.02 0.49 -0.21 0.74 -1.18 0.00 0.00 179.01 178.86 3ice h PHE 335 N -0.23 0.00 -0.81 0.92 0.05 -1.35 -2.97 116.94 112.56 3ice h PHE 335 Ca 0.02 0.00 0.04 0.00 3.82 0.00 0.00 57.97 61.84 3ice h PHE 335 Cb 0.44 0.00 -0.05 0.00 2.00 0.00 0.00 35.95 38.34 3ice h PHE 335 CO 0.06 0.21 0.51 -0.22 -0.18 0.00 0.00 178.31 178.69 3ice h LYS 336 N 0.00 0.96 0.00 1.51 1.63 -0.89 0.86 116.57 120.63 3ice h LYS 336 Ca -0.00 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 3ice h LYS 336 Cb 0.90 -0.22 0.00 0.00 -0.60 0.00 0.00 32.23 32.32 3ice h LYS 336 CO 0.03 0.63 0.00 0.41 -3.45 0.00 0.00 179.45 177.07 3ice n GLY 337 N -1.32 -1.13 0.26 5.01 0.00 -1.01 -3.69 105.19 103.31 3ice n GLY 337 Ca 0.10 -0.14 -0.14 0.00 0.00 0.00 0.00 46.02 45.84 3ice n GLY 337 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ice n THR 338 N -1.22 0.90 -1.04 2.61 -2.24 -0.83 -5.06 114.28 107.40 3ice n THR 338 Ca 0.15 -0.29 -0.23 0.00 -2.27 0.00 0.00 64.05 61.41 3ice n THR 338 Cb 0.19 -1.35 0.19 0.00 -2.10 0.00 0.00 70.33 67.26 3ice n THR 338 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ice n GLY 339 N 2.41 -2.50 2.47 3.38 0.00 0.23 -5.02 105.19 106.15 3ice n GLY 339 Ca -0.30 -1.52 -0.13 0.00 0.00 0.00 0.00 46.02 44.08 3ice n GLY 339 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ice n ASN 340 N -4.31 0.43 -3.62 1.61 0.23 -0.38 -4.96 115.26 104.25 3ice n ASN 340 Ca 0.12 -2.93 -0.05 0.00 -0.53 0.00 0.00 54.58 51.18 3ice n ASN 340 Cb 0.45 -0.14 -0.05 0.00 -2.08 0.00 0.00 39.78 37.95 3ice n ASN 340 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 3ice s GLU 342 N -2.12 0.26 0.09 -3.83 2.12 -1.05 -1.00 118.70 113.17 3ice s GLU 342 Ca 0.32 0.11 0.02 0.00 0.36 0.00 0.00 54.97 55.78 3ice s GLU 342 Cb 0.39 0.13 -0.04 0.00 0.26 0.00 0.00 34.13 34.86 3ice s GLU 342 CO -0.04 -0.07 -0.07 -1.17 -0.54 0.00 0.00 175.26 173.37 3ice s LEU 343 N -0.78 2.45 -0.06 2.70 2.96 0.13 -2.77 118.68 123.31 3ice s LEU 343 Ca 0.05 -0.90 -0.09 0.00 -0.22 0.00 0.00 54.13 52.97 3ice s LEU 343 Cb -0.02 -0.10 0.02 0.00 0.50 0.00 0.00 46.19 46.59 3ice s LEU 343 CO -0.06 -0.40 0.23 -1.00 -1.32 0.00 0.00 176.35 173.80 3ice s HIS 344 N -3.09 -0.19 0.18 5.38 3.76 -1.24 -0.35 115.29 119.75 3ice s HIS 344 Ca 0.07 0.42 0.09 0.00 -0.15 0.00 0.00 55.06 55.49 3ice s HIS 344 Cb 0.02 0.06 -0.04 0.00 1.11 0.00 0.00 32.58 33.73 3ice s HIS 344 CO -0.03 -0.21 -0.19 -0.51 -0.85 0.00 0.00 174.74 172.95 3ice s LEU 345 N -0.44 2.46 0.04 0.89 1.43 0.51 -0.62 118.68 122.96 3ice s LEU 345 Ca -0.05 -0.89 0.09 0.00 -1.03 0.00 0.00 54.13 52.24 3ice s LEU 345 Cb -0.04 -0.88 -0.03 0.00 0.03 0.00 0.00 46.19 45.28 3ice s LEU 345 CO 0.01 -0.02 -0.26 -0.44 0.23 0.00 0.00 176.35 175.87 3ice s SER 346 N -2.80 3.14 0.15 2.29 0.01 -0.95 -4.18 113.70 111.36 3ice s SER 346 Ca 0.18 -0.57 -0.15 0.00 1.31 0.00 0.00 55.95 56.72 3ice s SER 346 Cb -0.05 -0.29 0.02 0.00 0.21 0.00 0.00 66.02 65.90 3ice s SER 346 CO 0.08 0.27 1.71 0.03 0.41 0.00 0.00 173.24 175.73 3ice h ARG 347 N 4.89 0.67 -0.73 12.44 3.08 -1.90 -2.65 114.38 130.18 3ice h ARG 347 Ca -0.46 -0.12 0.09 0.00 0.07 0.00 0.00 59.98 59.56 3ice h ARG 347 Cb 1.14 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 31.03 3ice h ARG 347 CO 0.44 0.60 0.48 0.87 -1.07 0.00 0.00 179.97 181.29 3ice h LYS 348 N 0.59 0.64 0.00 0.04 1.57 -1.97 0.32 116.57 117.76 3ice h LYS 348 Ca 0.15 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.77 3ice h LYS 348 Cb 0.17 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 3ice h LYS 348 CO -0.01 0.42 -0.92 0.97 -0.57 0.00 0.00 179.45 179.34 3ice h ILE 349 N 0.66 0.66 0.00 1.86 2.10 -1.88 -3.26 117.51 117.65 3ice h ILE 349 Ca 0.33 -2.06 -0.17 0.00 1.08 0.00 0.00 64.86 64.04 3ice h ILE 349 Cb 0.42 2.21 -0.02 0.00 -1.09 0.00 0.00 36.82 38.33 3ice h ILE 349 CO -0.12 0.38 -0.81 0.00 -1.08 0.00 0.00 178.15 176.52 3ice h ALA 350 N 1.49 0.52 -0.47 0.18 0.00 -0.85 -3.13 119.26 117.00 3ice h ALA 350 Ca -0.07 -0.74 0.08 0.00 0.00 0.00 0.00 54.91 54.18 3ice h ALA 350 Cb 1.45 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 19.04 3ice h ALA 350 CO 0.05 1.02 0.05 0.93 0.00 0.00 0.00 179.25 181.30 3ice h GLU 351 N 0.00 0.17 0.00 0.00 4.39 -0.47 -0.51 114.58 118.16 3ice h GLU 351 Ca -0.01 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.68 3ice h GLU 351 Cb 1.57 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.18 3ice h GLU 351 CO 0.11 0.11 0.00 1.17 -1.16 0.00 0.00 179.01 179.24 3ice n LYS 352 N -5.16 0.65 -0.99 2.33 4.81 -1.24 -4.82 118.16 113.74 3ice n LYS 352 Ca 0.05 0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.50 3ice n LYS 352 Cb 0.24 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.79 3ice n LYS 352 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3ice n ARG 353 N -1.04 -0.09 -2.75 1.64 5.12 -0.20 -5.00 116.66 114.34 3ice n ARG 353 Ca 0.16 0.02 -0.42 0.00 -1.93 0.00 0.00 57.85 55.69 3ice n ARG 353 Cb 0.09 -2.97 -0.03 0.00 -1.16 0.00 0.00 32.46 28.38 3ice n ARG 353 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3ice s VAL 354 N -2.55 4.88 0.02 1.55 1.01 -1.18 -5.03 120.40 119.10 3ice s VAL 354 Ca 0.00 1.98 -0.00 0.00 0.00 0.00 0.00 61.98 63.96 3ice s VAL 354 Cb 0.00 -4.29 -0.02 0.00 0.00 0.00 0.00 36.38 32.08 3ice s VAL 354 CO 0.00 0.16 -0.03 -0.36 0.00 0.00 0.00 175.10 174.87 3ice s PHE 355 N 1.07 0.24 0.69 5.22 0.08 -1.26 -3.95 117.98 120.07 3ice s PHE 355 Ca 0.50 -0.49 -0.14 0.00 0.12 0.00 0.00 56.93 56.92 3ice s PHE 355 Cb -0.20 -0.18 0.02 0.00 -0.57 0.00 0.00 43.02 42.09 3ice s PHE 355 CO 0.26 -0.18 1.10 -1.25 -0.10 0.00 0.00 175.22 175.05 3ice s PRO 356 N -1.38 2.65 -0.02 0.24 0.04 -1.26 -4.92 135.00 130.35 3ice s PRO 356 Ca -0.15 1.31 0.04 0.00 0.04 0.00 0.00 61.00 62.24 3ice s PRO 356 Cb -0.09 -1.94 0.15 0.00 0.04 0.00 0.00 34.50 32.66 3ice s PRO 356 CO -0.01 -1.36 0.99 0.00 0.04 0.00 0.00 177.00 176.67 3ice n ALA 357 N -2.75 2.58 -1.65 8.56 0.00 -1.25 -4.94 120.51 121.06 3ice n ALA 357 Ca 0.10 -0.31 -0.45 0.00 0.00 0.00 0.00 53.44 52.78 3ice n ALA 357 Cb 0.52 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.95 3ice n ALA 357 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3ice n ILE 358 N 0.01 1.31 -3.32 0.00 -6.64 -1.26 -2.25 119.36 107.21 3ice n ILE 358 Ca 0.05 -0.33 -0.46 0.00 -1.77 0.00 0.00 62.75 60.24 3ice n ILE 358 Cb 0.24 -1.32 -0.04 0.00 -1.44 0.00 0.00 39.64 37.08 3ice n ILE 358 CO 0.00 0.00 0.00 -0.62 -1.77 0.00 0.00 176.55 174.16 3ice s ASP 359 N -0.00 6.42 0.26 7.28 -1.08 0.21 -4.87 116.67 124.88 3ice s ASP 359 Ca 0.65 -2.15 -0.02 0.00 -0.52 0.00 0.00 52.55 50.51 3ice s ASP 359 Cb -0.67 -2.21 0.42 0.00 -1.46 0.00 0.00 42.92 39.00 3ice s ASP 359 CO 0.54 -0.75 1.86 0.22 0.52 0.00 0.00 175.17 177.56 3ice h TYR 360 N 8.45 1.11 -0.63 -5.34 3.20 -1.92 -1.42 116.97 120.42 3ice h TYR 360 Ca -0.14 0.03 0.10 0.00 3.14 0.00 0.00 58.73 61.86 3ice h TYR 360 Cb 1.08 -0.36 -0.07 0.00 1.54 0.00 0.00 36.73 38.91 3ice h TYR 360 CO 0.85 0.53 0.24 -0.91 -1.64 0.00 0.00 178.16 177.24 3ice h ASN 361 N 1.06 0.25 0.72 -2.11 2.35 -1.94 -2.90 115.58 113.01 3ice h ASN 361 Ca 0.43 0.08 -0.25 0.00 -0.55 0.00 0.00 56.30 56.02 3ice h ASN 361 Cb 0.26 0.05 -0.04 0.00 0.05 0.00 0.00 38.32 38.64 3ice h ASN 361 CO -0.20 0.14 -1.40 -0.09 -1.65 0.00 0.00 177.43 174.24 3ice h ARG 362 N 0.43 0.00 -7.18 0.81 2.43 -1.84 -3.46 114.38 105.56 3ice h ARG 362 Ca 0.32 0.00 -0.53 0.00 -0.81 0.00 0.00 59.98 58.96 3ice h ARG 362 Cb 0.40 0.00 0.14 0.00 -0.42 0.00 0.00 29.97 30.09 3ice h ARG 362 CO -0.31 0.64 0.39 -1.12 -1.51 0.00 0.00 179.97 178.06 3ice s SER 363 N -6.28 4.41 0.00 -3.80 0.01 -0.58 -4.85 113.70 102.61 3ice s SER 363 Ca -0.02 2.28 0.00 0.00 1.31 0.00 0.00 55.95 59.52 3ice s SER 363 Cb 0.09 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.74 3ice s SER 363 CO 0.82 -2.12 0.00 0.61 0.41 0.00 0.00 173.24 172.96 3ice n GLY 364 N 0.20 2.96 3.36 3.44 0.00 -1.12 -4.92 105.19 109.11 3ice n GLY 364 Ca 0.13 -0.47 -0.24 0.00 0.00 0.00 0.00 46.02 45.43 3ice n GLY 364 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ice s THR 365 N -1.96 2.01 0.21 2.61 -4.23 -1.26 -2.53 115.64 110.49 3ice s THR 365 Ca 0.00 -1.90 -0.26 0.00 -1.18 0.00 0.00 61.69 58.35 3ice s THR 365 Cb 0.00 -1.91 -0.08 0.00 1.34 0.00 0.00 72.50 71.85 3ice s THR 365 CO 0.00 -0.19 0.82 -0.13 -0.54 0.00 0.00 174.62 174.58 3ice s ARG 366 N -2.60 4.60 -1.15 3.99 0.52 -0.17 -4.12 118.95 120.02 3ice s ARG 366 Ca 0.16 1.21 -0.12 0.00 -0.52 0.00 0.00 55.73 56.47 3ice s ARG 366 Cb -0.07 -3.17 -0.02 0.00 0.52 0.00 0.00 34.95 32.21 3ice s ARG 366 CO 0.07 0.51 0.81 1.63 0.02 0.00 0.00 175.30 178.34 3ice n LYS 367 N 1.35 -2.34 0.21 3.54 4.76 -1.26 -4.87 118.16 119.55 3ice n LYS 367 Ca -0.04 0.61 0.07 0.00 -2.87 0.00 0.00 58.31 56.09 3ice n LYS 367 Cb 0.49 -4.85 0.44 0.00 -1.84 0.00 0.00 35.03 29.26 3ice n LYS 367 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 3ice h GLU 368 N -1.65 0.00 -0.40 1.97 5.08 -1.99 -3.26 114.58 114.33 3ice h GLU 368 Ca -0.64 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 57.79 3ice h GLU 368 Cb 1.35 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.57 3ice h GLU 368 CO 0.49 0.30 0.27 1.05 -1.00 0.00 0.00 179.01 180.12 3ice h GLU 369 N 0.00 0.25 0.00 2.33 9.09 -1.89 0.94 114.58 125.30 3ice h GLU 369 Ca -0.00 -0.02 -0.20 0.00 0.05 0.00 0.00 59.36 59.19 3ice h GLU 369 Cb 0.72 -0.06 -0.01 0.00 -1.65 0.00 0.00 28.75 27.76 3ice h GLU 369 CO 0.04 0.17 -0.88 1.37 0.05 0.00 0.00 179.01 179.75 3ice h LEU 370 N 0.26 0.32 -0.06 3.06 8.10 -1.92 -3.29 115.31 121.79 3ice h LEU 370 Ca 0.18 -0.26 -0.22 0.00 0.11 0.00 0.00 57.88 57.69 3ice h LEU 370 Cb 0.37 -0.10 0.02 0.00 -0.44 0.00 0.00 40.66 40.51 3ice h LEU 370 CO -0.03 1.05 -0.84 -0.07 -4.11 0.00 0.00 178.44 174.44 3ice h LEU 371 N 0.14 0.84 -9.70 0.17 3.38 -1.15 -3.46 115.31 105.53 3ice h LEU 371 Ca -0.05 -0.70 -0.64 0.00 0.09 0.00 0.00 57.88 56.58 3ice h LEU 371 Cb 1.51 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 41.93 3ice h LEU 371 CO 0.14 1.42 -0.55 0.42 0.09 0.00 0.00 178.44 179.95 3ice s THR 372 N -3.47 4.94 0.79 0.22 -4.23 0.12 -4.86 115.64 109.15 3ice s THR 372 Ca -0.11 -0.46 -0.11 0.00 -1.18 0.00 0.00 61.69 59.83 3ice s THR 372 Cb 0.07 -3.33 0.07 0.00 1.34 0.00 0.00 72.50 70.64 3ice s THR 372 CO 0.89 0.24 1.09 0.42 -0.54 0.00 0.00 174.62 176.71 3ice s THR 373 N -1.34 3.26 0.23 3.99 -4.23 -1.26 -4.69 115.64 111.59 3ice s THR 373 Ca 0.28 0.41 -0.08 0.00 -1.18 0.00 0.00 61.69 61.12 3ice s THR 373 Cb -0.12 -3.03 0.21 0.00 1.34 0.00 0.00 72.50 70.90 3ice s THR 373 CO 0.20 -0.53 1.68 1.56 -0.54 0.00 0.00 174.62 176.99 3ice h GLN 374 N -1.12 0.22 -0.04 3.99 4.20 -1.99 0.26 115.11 120.62 3ice h GLN 374 Ca -0.46 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.24 3ice h GLN 374 Cb 1.25 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.97 3ice h GLN 374 CO 0.56 0.14 -0.01 0.93 -0.67 0.00 0.00 178.83 179.78 3ice h GLU 375 N 0.22 0.01 -0.96 1.46 3.07 -2.00 -1.48 114.58 114.89 3ice h GLU 375 Ca 0.36 -0.00 0.11 0.00 -0.50 0.00 0.00 59.36 59.34 3ice h GLU 375 Cb 0.60 -0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 28.43 3ice h GLU 375 CO -0.49 0.00 0.61 0.93 -1.40 0.00 0.00 179.01 178.66 3ice h GLU 376 N 0.01 0.91 0.48 2.33 5.08 -1.46 -2.32 114.58 119.61 3ice h GLU 376 Ca 0.02 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3ice h GLU 376 Cb 0.02 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.07 3ice h GLU 376 CO -0.03 0.60 -0.23 1.25 -1.00 0.00 0.00 179.01 179.60 3ice h LEU 377 N 0.94 -0.54 -0.21 1.33 5.85 0.10 -3.27 115.31 119.49 3ice h LEU 377 Ca 0.46 -0.06 0.05 0.00 0.84 0.00 0.00 57.88 59.17 3ice h LEU 377 Cb 0.48 0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.60 3ice h LEU 377 CO -0.23 -0.25 -0.09 1.56 -0.34 0.00 0.00 178.44 179.09 3ice h GLN 378 N -0.83 -0.05 -0.69 1.25 4.20 -1.04 0.21 115.11 118.15 3ice h GLN 378 Ca -0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.65 3ice h GLN 378 Cb 0.57 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.36 3ice h GLN 378 CO 0.11 -0.04 0.00 0.36 -0.67 0.00 0.00 178.83 178.59 3ice n LYS 379 N -5.24 0.00 0.00 1.46 2.85 -0.89 -0.44 118.16 115.89 3ice n LYS 379 Ca -0.02 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.24 3ice n LYS 379 Cb 0.17 -1.14 0.00 0.00 -0.65 0.00 0.00 35.03 33.41 3ice n LYS 379 CO 0.00 0.00 0.00 1.87 -0.05 0.00 0.00 177.40 179.22 3ice n TRP 381 N 0.65 0.00 -0.09 5.58 -0.00 0.73 -0.80 117.44 123.50 3ice n TRP 381 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.50 57.44 3ice n TRP 381 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 3ice n TRP 381 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 177.69 178.51 3ice h ILE 382 N 0.00 0.59 -0.31 5.87 2.04 -0.99 -1.03 117.51 123.68 3ice h ILE 382 Ca 0.00 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.88 3ice h ILE 382 Cb 0.00 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 3ice h ILE 382 CO 0.00 0.00 0.14 0.25 0.00 0.00 0.00 178.15 178.54 3ice h LEU 383 N -0.06 0.20 -0.83 1.44 6.46 -1.20 -1.67 115.31 119.65 3ice h LEU 383 Ca 0.16 0.02 -0.05 0.00 -0.12 0.00 0.00 57.88 57.89 3ice h LEU 383 Cb 0.31 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.18 3ice h LEU 383 CO -0.37 0.16 0.31 -0.09 -0.62 0.00 0.00 178.44 177.82 3ice h ARG 384 N 0.30 1.17 -0.55 1.25 2.43 -1.74 0.54 114.38 117.78 3ice h ARG 384 Ca 0.13 -0.21 0.04 0.00 -0.81 0.00 0.00 59.98 59.13 3ice h ARG 384 Cb 0.06 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 29.37 3ice h ARG 384 CO -0.10 0.95 0.30 -0.22 -1.51 0.00 0.00 179.97 179.39 3ice h LYS 385 N 1.14 0.57 -0.18 0.20 1.63 -0.73 0.15 116.57 119.35 3ice h LYS 385 Ca 0.26 -0.03 -0.17 0.00 -0.85 0.00 0.00 60.65 59.86 3ice h LYS 385 Cb 0.22 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 31.72 3ice h LYS 385 CO -0.02 0.38 -0.58 0.82 -3.45 0.00 0.00 179.45 176.59 3ice h ILE 386 N 0.59 1.32 0.03 2.00 2.04 -0.65 -3.23 117.51 119.61 3ice h ILE 386 Ca 0.24 -1.84 -0.23 0.00 1.00 0.00 0.00 64.86 64.03 3ice h ILE 386 Cb 0.11 1.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.97 3ice h ILE 386 CO -0.14 0.57 -1.10 0.40 0.00 0.00 0.00 178.15 177.88 3ice h ILE 387 N 0.44 1.62 -0.38 -0.67 2.04 -0.70 -3.37 117.51 116.50 3ice h ILE 387 Ca 0.00 -3.30 0.03 0.00 1.00 0.00 0.00 64.86 62.59 3ice h ILE 387 Cb 1.14 2.85 -0.05 0.00 -0.74 0.00 0.00 36.82 40.03 3ice h ILE 387 CO 0.11 0.94 -0.22 1.57 0.00 0.00 0.00 178.15 180.55 3ice n HIS 388 N -3.38 -0.17 0.00 1.37 -0.00 0.51 -4.68 115.22 108.88 3ice n HIS 388 Ca -0.03 0.47 0.00 0.00 0.46 0.00 0.00 57.72 58.62 3ice n HIS 388 Cb 0.97 -0.51 0.00 0.00 -0.12 0.00 0.00 29.99 30.32 3ice n HIS 388 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 3ice n PRO 389 N -3.83 0.00 -4.41 1.57 -0.02 -1.26 -4.99 135.00 122.05 3ice n PRO 389 Ca 0.01 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.23 3ice n PRO 389 Cb 0.10 -0.64 -0.10 0.00 -0.02 0.00 0.00 33.50 32.83 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 0.00 1.77 0.12 -1.23 0.00 -1.26 -5.06 107.32 101.65 3ice s GLY 391 Ca 0.00 -1.71 -0.24 0.00 0.00 0.00 0.00 44.72 42.77 3ice s GLY 391 CO 0.00 -1.76 1.42 1.05 0.00 0.00 0.00 173.10 173.81 3ice h GLU 392 N 2.72 -0.10 0.63 2.90 4.11 -1.96 1.33 114.58 124.21 3ice h GLU 392 Ca -0.44 0.01 -0.03 0.00 0.07 0.00 0.00 59.36 58.97 3ice h GLU 392 Cb 1.23 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.51 3ice h GLU 392 CO 0.54 -0.07 -0.32 0.82 0.07 0.00 0.00 179.01 180.05 3ice h ILE 393 N -0.10 0.34 0.47 -1.06 2.04 -1.93 -3.28 117.51 113.98 3ice h ILE 393 Ca 0.10 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.94 3ice h ILE 393 Cb 0.36 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 3ice h ILE 393 CO -0.63 0.00 -0.31 0.44 0.00 0.00 0.00 178.15 177.65 3ice h ASP 394 N -0.87 -0.78 0.00 1.72 3.32 -1.92 -0.55 116.42 117.34 3ice h ASP 394 Ca -0.08 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3ice h ASP 394 Cb 0.68 0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.46 3ice h ASP 394 CO 0.13 -0.48 0.00 0.00 -1.72 0.00 0.00 179.24 177.17 3ice n ALA 395 N -2.53 0.82 0.00 3.45 0.00 0.45 0.04 120.51 122.74 3ice n ALA 395 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3ice n ALA 395 Cb 0.34 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 19.16 3ice n ALA 395 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3ice n GLU 397 N -0.07 0.00 -0.21 0.00 1.02 -0.21 -0.85 120.64 120.31 3ice n GLU 397 Ca 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.10 3ice n GLU 397 Cb 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 31.44 31.48 3ice n GLU 397 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 3ice h PHE 398 N 0.00 0.72 0.14 -0.32 3.57 -0.59 -2.46 116.94 118.00 3ice h PHE 398 Ca 0.00 0.02 -0.22 0.00 3.53 0.00 0.00 57.97 61.30 3ice h PHE 398 Cb 0.00 -0.23 0.01 0.00 2.79 0.00 0.00 35.95 38.52 3ice h PHE 398 CO 0.00 0.41 -1.04 1.25 -2.23 0.00 0.00 178.31 176.71 3ice h LEU 399 N 0.76 0.45 -0.86 0.59 5.85 -1.25 -3.36 115.31 117.49 3ice h LEU 399 Ca 0.25 -0.92 0.15 0.00 0.84 0.00 0.00 57.88 58.20 3ice h LEU 399 Cb 0.01 -0.15 -0.15 0.00 0.37 0.00 0.00 40.66 40.74 3ice h LEU 399 CO -0.10 1.48 -0.31 0.40 -0.34 0.00 0.00 178.44 179.57 3ice h ILE 400 N -0.33 0.08 -0.73 4.05 2.04 -1.78 0.31 117.51 121.15 3ice h ILE 400 Ca -0.20 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.77 3ice h ILE 400 Cb 1.70 0.08 -0.08 0.00 -0.74 0.00 0.00 36.82 37.79 3ice h ILE 400 CO 0.13 0.00 0.34 0.78 0.00 0.00 0.00 178.15 179.40 3ice h ASN 401 N -0.04 0.41 0.54 1.72 2.35 -1.61 0.63 115.58 119.58 3ice h ASN 401 Ca 0.35 0.07 -0.11 0.00 -0.55 0.00 0.00 56.30 56.06 3ice h ASN 401 Cb 0.61 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.97 3ice h ASN 401 CO -0.89 0.22 -0.54 0.11 -1.65 0.00 0.00 177.43 174.67 3ice h LYS 402 N 0.56 0.01 -0.27 0.81 1.79 -0.70 -2.99 116.57 115.78 3ice h LYS 402 Ca 0.37 -0.01 -0.16 0.00 -2.18 0.00 0.00 60.65 58.68 3ice h LYS 402 Cb 0.45 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.09 3ice h LYS 402 CO -0.31 0.55 -0.47 -0.07 -1.08 0.00 0.00 179.45 178.07 3ice h LEU 403 N 0.01 0.77 -3.34 2.94 3.38 0.85 -3.29 115.31 116.64 3ice h LEU 403 Ca -0.01 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.58 3ice h LEU 403 Cb 0.96 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3ice h LEU 403 CO 0.07 1.12 0.00 0.00 0.09 0.00 0.00 178.44 179.72 3ice n ALA 404 N -2.53 1.27 -1.47 1.53 0.00 0.06 -4.39 120.51 114.99 3ice n ALA 404 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.11 3ice n ALA 404 Cb 0.57 -1.35 0.08 0.00 0.00 0.00 0.00 19.45 18.75 3ice n ALA 404 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3ice s THR 406 N 1.35 3.39 0.79 0.00 -4.23 -1.24 -5.12 115.64 110.58 3ice s THR 406 Ca 0.00 0.45 -0.14 0.00 -1.18 0.00 0.00 61.69 60.82 3ice s THR 406 Cb 0.00 -3.12 0.06 0.00 1.34 0.00 0.00 72.50 70.78 3ice s THR 406 CO 0.00 -0.59 1.14 0.29 -0.54 0.00 0.00 174.62 174.92 3ice n LYS 407 N -3.40 0.28 -0.19 3.99 4.01 -1.26 -4.43 118.16 117.15 3ice n LYS 407 Ca 0.08 0.17 0.25 0.00 -0.51 0.00 0.00 58.31 58.29 3ice n LYS 407 Cb 0.55 -2.39 0.65 0.00 -0.51 0.00 0.00 35.03 33.33 3ice n LYS 407 CO 0.00 0.00 0.00 1.79 -1.11 0.00 0.00 177.40 178.08 3ice h THR 408 N -0.73 0.60 0.11 -0.18 1.35 -1.94 0.66 112.91 112.78 3ice h THR 408 Ca -0.47 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 3ice h THR 408 Cb 1.31 0.46 -0.01 0.00 -1.73 0.00 0.00 68.15 68.17 3ice h THR 408 CO 0.46 0.02 -0.11 -1.13 -0.25 0.00 0.00 175.52 174.51 3ice h ASN 409 N 0.13 -0.30 0.44 5.36 -1.24 -2.00 -2.10 115.58 115.86 3ice h ASN 409 Ca 0.43 0.03 -0.17 0.00 0.71 0.00 0.00 56.30 57.31 3ice h ASN 409 Cb 1.51 0.11 -0.01 0.00 0.73 0.00 0.00 38.32 40.65 3ice h ASN 409 CO -0.07 -0.18 -0.71 0.44 -1.29 0.00 0.00 177.43 175.63 3ice h ASP 410 N -0.25 0.28 -0.01 1.15 3.32 -1.21 -2.76 116.42 116.93 3ice h ASP 410 Ca 0.01 -0.18 -0.00 0.00 0.02 0.00 0.00 57.03 56.87 3ice h ASP 410 Cb 0.25 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 3ice h ASP 410 CO -0.03 0.90 0.00 -0.78 -1.72 0.00 0.00 179.24 177.61 3ice h ASP 411 N 0.16 0.02 0.05 6.45 3.58 -1.31 -1.77 116.42 123.60 3ice h ASP 411 Ca -0.02 -0.21 -0.06 0.00 0.42 0.00 0.00 57.03 57.16 3ice h ASP 411 Cb 1.27 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.30 3ice h ASP 411 CO 0.11 0.23 -0.17 2.19 -2.88 0.00 0.00 179.24 178.72 3ice h PHE 412 N -0.19 0.25 -0.20 0.28 -5.15 -1.41 -3.06 116.94 107.46 3ice h PHE 412 Ca 0.00 -0.03 -0.08 0.00 -0.20 0.00 0.00 57.97 57.66 3ice h PHE 412 Cb 0.22 -0.07 -0.00 0.00 0.22 0.00 0.00 35.95 36.32 3ice h PHE 412 CO -0.00 0.40 -0.19 0.35 -2.00 0.00 0.00 178.31 176.87 3ice h PHE 413 N 0.22 0.57 0.00 6.09 3.57 -1.25 -3.52 116.94 122.62 3ice h PHE 413 Ca 0.04 -0.17 0.00 0.00 3.53 0.00 0.00 57.97 61.37 3ice h PHE 413 Cb 0.43 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.05 3ice h PHE 413 CO 0.01 0.83 0.00 -0.85 -2.23 0.00 0.00 178.31 176.06