#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ity s PHE 4 N 0.00 0.24 0.39 -0.32 0.08 -1.26 -4.87 117.98 112.24 3ity s PHE 4 Ca 0.00 -0.76 0.10 0.00 0.12 0.00 0.00 56.93 56.39 3ity s PHE 4 Cb 0.00 -0.84 0.87 0.00 -0.57 0.00 0.00 43.02 42.48 3ity s PHE 4 CO 0.00 -0.81 1.94 0.00 -0.10 0.00 0.00 175.22 176.25 3ity h ARG 5 N 8.40 0.60 -5.14 0.44 2.47 -1.92 -3.38 114.38 115.85 3ity h ARG 5 Ca -0.19 -0.04 -0.65 0.00 -1.26 0.00 0.00 59.98 57.85 3ity h ARG 5 Cb 1.03 -0.13 -0.25 0.00 -1.65 0.00 0.00 29.97 28.97 3ity h ARG 5 CO 0.42 0.39 -0.69 0.42 0.56 0.00 0.00 179.97 181.07 3ity s ILE 6 N -5.57 3.67 0.08 2.04 -1.09 -1.26 -5.02 121.20 114.05 3ity s ILE 6 Ca -0.09 -0.41 -0.35 0.00 -2.23 0.00 0.00 60.65 57.56 3ity s ILE 6 Cb 0.20 -2.64 -0.14 0.00 -1.58 0.00 0.00 42.46 38.30 3ity s ILE 6 CO 0.77 0.45 1.56 0.00 -1.23 0.00 0.00 174.94 176.49 3ity n ALA 7 N 4.21 0.56 -0.13 9.38 0.00 -1.26 -4.86 120.51 128.41 3ity n ALA 7 Ca -0.18 0.44 0.13 0.00 0.00 0.00 0.00 53.44 53.83 3ity n ALA 7 Cb 0.52 -2.29 0.48 0.00 0.00 0.00 0.00 19.45 18.16 3ity n ALA 7 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3ity h GLN 8 N 6.08 0.44 -0.25 0.00 4.20 -1.97 -0.99 115.11 122.61 3ity h GLN 8 Ca -0.46 -0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.16 3ity h GLN 8 Cb 1.28 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.95 3ity h GLN 8 CO 0.87 0.29 -0.13 0.38 -0.67 0.00 0.00 178.83 179.57 3ity h ASP 9 N 0.45 0.39 -0.22 1.46 2.03 -1.99 -0.70 116.42 117.85 3ity h ASP 9 Ca 0.32 -0.10 -0.09 0.00 -0.73 0.00 0.00 57.03 56.44 3ity h ASP 9 Cb 0.64 -0.10 -0.00 0.00 -0.83 0.00 0.00 39.33 39.03 3ity h ASP 9 CO -0.10 0.56 -0.20 0.58 -1.03 0.00 0.00 179.24 179.05 3ity h VAL 10 N 0.38 1.32 -0.28 4.15 2.07 -1.56 -0.28 116.25 122.06 3ity h VAL 10 Ca 0.07 -1.36 0.00 0.00 0.82 0.00 0.00 66.70 66.24 3ity h VAL 10 Cb 0.47 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 3ity h VAL 10 CO 0.03 0.42 0.18 0.58 0.02 0.00 0.00 177.57 178.80 3ity h VAL 11 N 0.21 1.06 -0.35 2.57 2.07 -1.17 -0.29 116.25 120.35 3ity h VAL 11 Ca 0.04 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 3ity h VAL 11 Cb 0.75 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 3ity h VAL 11 CO 0.05 0.07 0.17 0.00 0.02 0.00 0.00 177.57 177.88 3ity h ALA 12 N 1.11 0.45 0.15 1.67 0.00 -1.10 -0.93 119.26 120.60 3ity h ALA 12 Ca 0.10 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3ity h ALA 12 Cb -0.03 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3ity h ALA 12 CO -0.03 0.01 -0.25 -0.09 0.00 0.00 0.00 179.25 178.90 3ity h ARG 13 N 0.43 -0.45 0.00 0.00 2.43 -0.70 -0.16 114.38 115.93 3ity h ARG 13 Ca 0.12 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 3ity h ARG 13 Cb 0.12 0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.77 3ity h ARG 13 CO -0.02 -0.30 -0.04 0.93 -1.51 0.00 0.00 179.97 179.04 3ity h GLU 14 N -0.46 0.00 0.11 0.20 4.39 -0.97 -2.14 114.58 115.71 3ity h GLU 14 Ca 0.02 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.55 3ity h GLU 14 Cb 0.48 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.14 3ity h GLU 14 CO -0.12 0.04 -0.73 -0.91 -1.16 0.00 0.00 179.01 176.13 3ity h ASN 15 N 0.00 0.45 -0.46 1.42 -0.26 -0.62 -3.27 115.58 112.83 3ity h ASN 15 Ca -0.00 -0.93 -0.02 0.00 -0.56 0.00 0.00 56.30 54.79 3ity h ASN 15 Cb 0.44 -0.14 -0.02 0.00 -1.06 0.00 0.00 38.32 37.53 3ity h ASN 15 CO 0.00 1.34 0.21 0.44 -1.06 0.00 0.00 177.43 178.37 3ity h ASP 16 N -0.37 0.65 0.28 5.81 3.32 -0.85 0.20 116.42 125.46 3ity h ASP 16 Ca -0.12 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 56.84 3ity h ASP 16 Cb 1.55 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.93 3ity h ASP 16 CO 0.14 0.58 -0.08 -0.09 -1.72 0.00 0.00 179.24 178.07 3ity h ARG 17 N 0.72 0.00 -0.00 3.56 2.43 -1.48 -2.90 114.38 116.71 3ity h ARG 17 Ca 0.18 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 3ity h ARG 17 Cb 0.13 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3ity h ARG 17 CO -0.02 0.08 -0.05 0.54 -1.51 0.00 0.00 179.97 179.01 3ity n ARG 18 N -3.61 1.35 -0.35 0.20 1.74 -0.82 -4.73 116.66 110.45 3ity n ARG 18 Ca -0.02 -0.54 0.05 0.00 -0.77 0.00 0.00 57.85 56.57 3ity n ARG 18 Cb 0.19 -0.97 0.21 0.00 -1.02 0.00 0.00 32.46 30.87 3ity n ARG 18 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ity h ALA 19 N 0.76 1.42 0.19 7.54 0.00 -0.41 -1.78 119.26 126.98 3ity h ALA 19 Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3ity h ALA 19 Cb 0.15 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3ity h ALA 19 CO 0.00 0.24 -0.09 1.03 0.00 0.00 0.00 179.25 180.42 3ity h SER 20 N 0.98 -0.22 -0.79 0.00 0.87 -1.85 -1.38 113.55 111.16 3ity h SER 20 Ca 0.46 -0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.90 3ity h SER 20 Cb 0.40 0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 62.38 3ity h SER 20 CO -0.25 -0.03 0.43 0.00 -0.53 0.00 0.00 176.83 176.45 3ity h ALA 21 N 0.37 1.01 -0.37 6.23 0.00 -1.86 -2.29 119.26 122.36 3ity h ALA 21 Ca -0.03 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.78 3ity h ALA 21 Cb 0.31 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3ity h ALA 21 CO 0.04 0.53 0.22 1.25 0.00 0.00 0.00 179.25 181.29 3ity h LEU 22 N 1.10 0.35 -0.82 0.00 5.85 -1.22 -0.39 115.31 120.18 3ity h LEU 22 Ca 0.28 0.00 0.04 0.00 0.84 0.00 0.00 57.88 59.04 3ity h LEU 22 Cb 0.04 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 3ity h LEU 22 CO -0.04 0.26 0.51 0.50 -0.34 0.00 0.00 178.44 179.33 3ity h LYS 23 N 0.44 0.95 -0.12 1.25 3.64 -0.93 0.39 116.57 122.18 3ity h LYS 23 Ca 0.15 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 3ity h LYS 23 Cb 0.00 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.60 3ity h LYS 23 CO -0.07 0.63 0.05 0.93 -2.27 0.00 0.00 179.45 178.72 3ity h GLU 24 N 0.98 0.19 -0.50 1.90 4.39 -0.85 -1.42 114.58 119.26 3ity h GLU 24 Ca 0.34 -0.03 -0.12 0.00 0.34 0.00 0.00 59.36 59.88 3ity h GLU 24 Cb 0.07 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 3ity h GLU 24 CO -0.14 0.28 -0.17 -0.44 -1.16 0.00 0.00 179.01 177.39 3ity h ASP 25 N 0.05 1.01 -0.39 1.42 3.32 -0.62 -1.63 116.42 119.57 3ity h ASP 25 Ca 0.04 -0.36 -0.05 0.00 0.02 0.00 0.00 57.03 56.69 3ity h ASP 25 Cb 0.17 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 3ity h ASP 25 CO -0.00 1.15 0.06 0.22 -1.72 0.00 0.00 179.24 178.95 3ity h TYR 26 N 0.87 0.69 -0.37 4.55 3.20 -0.19 -1.00 116.97 124.73 3ity h TYR 26 Ca 0.12 -0.10 -0.09 0.00 3.14 0.00 0.00 58.73 61.81 3ity h TYR 26 Cb 0.74 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 3ity h TYR 26 CO 0.05 0.68 -0.15 0.93 -1.64 0.00 0.00 178.16 178.03 3ity h GLU 27 N 0.50 0.66 -0.04 1.82 5.08 -1.21 0.16 114.58 121.54 3ity h GLU 27 Ca 0.12 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 3ity h GLU 27 Cb 0.36 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 3ity h GLU 27 CO 0.01 0.78 0.00 0.00 -1.00 0.00 0.00 179.01 178.80 3ity h ALA 28 N 1.24 0.06 -0.83 3.43 0.00 -1.11 -1.04 119.26 121.00 3ity h ALA 28 Ca 0.10 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3ity h ALA 28 Cb 0.60 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 3ity h ALA 28 CO 0.04 -0.29 0.41 1.25 0.00 0.00 0.00 179.25 180.65 3ity h LEU 29 N -0.20 1.08 -0.63 0.00 5.85 -1.04 -1.48 115.31 118.89 3ity h LEU 29 Ca 0.01 -0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.64 3ity h LEU 29 Cb 0.30 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 3ity h LEU 29 CO 0.00 0.91 0.38 1.23 -0.34 0.00 0.00 178.44 180.62 3ity h GLY 30 N 1.20 0.90 0.96 3.75 0.00 -0.47 0.11 103.07 109.52 3ity h GLY 30 Ca 0.29 -0.28 -0.05 0.00 0.00 0.00 0.00 47.33 47.29 3ity h GLY 30 CO -0.04 0.23 0.10 0.00 0.00 0.00 0.00 176.54 176.84 3ity h ALA 31 N 1.28 0.61 -0.35 3.60 0.00 -0.72 -0.64 119.26 123.04 3ity h ALA 31 Ca 0.26 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3ity h ALA 31 Cb 0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3ity h ALA 31 CO -0.11 0.30 0.22 -0.97 0.00 0.00 0.00 179.25 178.68 3ity h ASN 32 N 0.62 0.41 -0.63 0.00 -0.73 -0.76 -1.56 115.58 112.93 3ity h ASN 32 Ca 0.14 -0.04 -0.05 0.00 1.87 0.00 0.00 56.30 58.22 3ity h ASN 32 Cb 0.34 -0.10 -0.03 0.00 0.27 0.00 0.00 38.32 38.79 3ity h ASN 32 CO 0.00 0.33 0.19 -0.07 -0.37 0.00 0.00 177.43 177.52 3ity h LEU 33 N 0.46 0.94 -0.63 0.34 3.38 -0.66 -2.44 115.31 116.70 3ity h LEU 33 Ca 0.13 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.94 3ity h LEU 33 Cb -0.01 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 3ity h LEU 33 CO -0.02 0.89 0.41 0.00 0.09 0.00 0.00 178.44 179.81 3ity h ALA 34 N 1.23 0.81 0.00 1.53 0.00 -0.71 0.22 119.26 122.35 3ity h ALA 34 Ca 0.21 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3ity h ALA 34 Cb 0.29 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3ity h ALA 34 CO -0.01 0.20 -0.03 0.00 0.00 0.00 0.00 179.25 179.42 3ity h ARG 35 N 0.83 0.00 -0.64 0.00 3.08 -0.87 0.39 114.38 117.17 3ity h ARG 35 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.29 3ity h ARG 35 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.99 3ity h ARG 35 CO -0.07 0.03 0.00 0.54 -1.07 0.00 0.00 179.97 179.40 3ity n ARG 36 N -3.27 3.13 -2.07 0.04 1.74 0.51 -4.92 116.66 111.81 3ity n ARG 36 Ca -0.02 -2.44 -0.13 0.00 -0.77 0.00 0.00 57.85 54.49 3ity n ARG 36 Cb 0.16 -1.73 -0.02 0.00 -1.02 0.00 0.00 32.46 29.86 3ity n ARG 36 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ity n GLY 37 N 1.18 0.16 3.23 -0.13 0.00 0.13 -5.01 105.19 104.74 3ity n GLY 37 Ca 0.22 -0.34 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 3ity n GLY 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ity s VAL 38 N -2.63 1.90 -0.53 1.61 1.01 0.36 -4.99 120.40 117.14 3ity s VAL 38 Ca 0.00 -0.98 -0.20 0.00 0.00 0.00 0.00 61.98 60.81 3ity s VAL 38 Cb 0.00 -1.62 0.06 0.00 0.00 0.00 0.00 36.38 34.83 3ity s VAL 38 CO 0.00 0.53 0.68 -0.62 0.00 0.00 0.00 175.10 175.69 3ity s ASP 39 N -0.07 6.23 0.45 3.32 2.15 -1.26 -2.81 116.67 124.68 3ity s ASP 39 Ca -0.05 -0.94 0.22 0.00 0.43 0.00 0.00 52.55 52.21 3ity s ASP 39 Cb -0.14 -2.31 1.20 0.00 -0.30 0.00 0.00 42.92 41.38 3ity s ASP 39 CO 0.04 -0.97 1.85 -0.29 -0.17 0.00 0.00 175.17 175.63 3ity h ILE 40 N 5.89 0.62 -0.58 4.11 2.10 -1.92 0.54 117.51 128.27 3ity h ILE 40 Ca -0.28 -0.10 -0.05 0.00 1.08 0.00 0.00 64.86 65.51 3ity h ILE 40 Cb 1.09 0.31 -0.03 0.00 -1.09 0.00 0.00 36.82 37.10 3ity h ILE 40 CO 1.00 0.05 0.16 -0.08 -1.08 0.00 0.00 178.15 178.20 3ity h GLU 41 N 0.29 0.89 -0.56 2.19 4.57 -1.98 -0.93 114.58 119.04 3ity h GLU 41 Ca 0.47 -0.18 -0.05 0.00 -1.18 0.00 0.00 59.36 58.43 3ity h GLU 41 Cb 1.37 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 29.80 3ity h GLU 41 CO -0.14 0.79 0.16 0.00 -1.18 0.00 0.00 179.01 178.63 3ity h ALA 42 N 1.31 1.22 -0.02 2.92 0.00 -1.31 -0.50 119.26 122.89 3ity h ALA 42 Ca 0.19 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3ity h ALA 42 Cb 0.29 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3ity h ALA 42 CO -0.00 0.54 -0.02 0.28 0.00 0.00 0.00 179.25 180.05 3ity h VAL 43 N 0.83 1.42 -0.96 0.00 2.07 -1.29 -3.00 116.25 115.32 3ity h VAL 43 Ca 0.18 -1.29 0.07 0.00 0.82 0.00 0.00 66.70 66.49 3ity h VAL 43 Cb 0.27 2.26 -0.07 0.00 -1.52 0.00 0.00 31.29 32.23 3ity h VAL 43 CO -0.01 0.34 0.62 0.74 0.02 0.00 0.00 177.57 179.29 3ity h THR 44 N -0.48 1.06 -0.86 2.57 2.02 -1.04 -0.49 112.91 115.69 3ity h THR 44 Ca 0.00 -0.37 0.01 0.00 0.77 0.00 0.00 66.41 66.82 3ity h THR 44 Cb 0.57 -0.13 -0.04 0.00 -1.74 0.00 0.00 68.15 66.81 3ity h THR 44 CO 0.01 0.20 0.57 0.00 0.37 0.00 0.00 175.52 176.66 3ity h ALA 45 N 1.49 1.39 0.12 6.16 0.00 -1.08 -1.06 119.26 126.29 3ity h ALA 45 Ca 0.42 -0.06 -0.30 0.00 0.00 0.00 0.00 54.91 54.98 3ity h ALA 45 Cb 0.22 -0.35 0.03 0.00 0.00 0.00 0.00 17.79 17.70 3ity h ALA 45 CO -0.17 0.56 -1.25 0.87 0.00 0.00 0.00 179.25 179.26 3ity h LYS 46 N 1.16 0.59 -0.60 0.00 1.57 -1.18 -3.29 116.57 114.82 3ity h LYS 46 Ca 0.32 -0.80 0.03 0.00 -1.87 0.00 0.00 60.65 58.32 3ity h LYS 46 Cb -0.13 0.27 -0.04 0.00 0.08 0.00 0.00 32.23 32.41 3ity h LYS 46 CO -0.07 1.36 0.37 0.28 -0.57 0.00 0.00 179.45 180.82 3ity h VAL 47 N 0.26 1.07 -0.06 0.50 2.07 -0.81 -1.24 116.25 118.04 3ity h VAL 47 Ca -0.18 -0.25 0.02 0.00 0.82 0.00 0.00 66.70 67.10 3ity h VAL 47 Cb 1.92 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.97 3ity h VAL 47 CO 0.24 0.13 0.13 -0.33 0.02 0.00 0.00 177.57 177.76 3ity h GLU 48 N 0.73 0.00 -0.41 1.57 5.08 -1.27 -1.45 114.58 118.83 3ity h GLU 48 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 3ity h GLU 48 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3ity h GLU 48 CO -0.10 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.54 3ity n LYS 49 N -3.40 2.43 -3.29 2.33 5.02 -0.49 -4.93 118.16 115.84 3ity n LYS 49 Ca -0.01 -2.23 -0.39 0.00 -2.02 0.00 0.00 58.31 53.65 3ity n LYS 49 Cb 0.21 -1.47 -0.07 0.00 -0.02 0.00 0.00 35.03 33.68 3ity n LYS 49 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3ity s PHE 50 N -1.30 3.34 0.16 2.13 2.19 -0.55 -5.06 117.98 118.89 3ity s PHE 50 Ca 0.36 0.69 0.09 0.00 0.33 0.00 0.00 56.93 58.40 3ity s PHE 50 Cb 0.21 -2.64 -0.04 0.00 -1.31 0.00 0.00 43.02 39.24 3ity s PHE 50 CO 0.29 -0.12 -0.20 -0.06 1.83 0.00 0.00 175.22 176.95 3ity s PHE 51 N 1.72 1.91 -0.02 10.12 0.08 -1.26 -4.74 117.98 125.79 3ity s PHE 51 Ca 0.22 -0.44 -0.00 0.00 0.12 0.00 0.00 56.93 56.83 3ity s PHE 51 Cb -0.15 -0.97 0.02 0.00 -0.57 0.00 0.00 43.02 41.34 3ity s PHE 51 CO 0.09 0.34 0.03 0.54 -0.10 0.00 0.00 175.22 176.12 3ity s VAL 52 N -1.79 -0.04 0.51 -0.44 0.11 -0.54 -4.85 120.40 113.37 3ity s VAL 52 Ca 0.15 0.14 -0.21 0.00 -2.93 0.00 0.00 61.98 59.12 3ity s VAL 52 Cb -0.07 -0.07 -0.06 0.00 -1.53 0.00 0.00 36.38 34.65 3ity s VAL 52 CO 0.07 0.06 1.16 0.00 -3.33 0.00 0.00 175.10 173.06 3ity s ALA 53 N 0.69 2.82 -0.12 1.54 0.00 -0.31 -4.26 121.76 122.11 3ity s ALA 53 Ca -0.06 0.91 -0.03 0.00 0.00 0.00 0.00 51.96 52.79 3ity s ALA 53 Cb -0.08 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.62 3ity s ALA 53 CO -0.02 -0.77 -0.01 0.54 0.00 0.00 0.00 175.76 175.49 3ity s VAL 54 N -1.63 4.14 -0.04 0.00 0.11 -0.42 -1.23 120.40 121.33 3ity s VAL 54 Ca 0.69 -0.29 -0.30 0.00 -2.93 0.00 0.00 61.98 59.15 3ity s VAL 54 Cb -0.27 -2.78 -0.03 0.00 -1.53 0.00 0.00 36.38 31.77 3ity s VAL 54 CO 0.32 0.54 1.11 -2.16 -3.33 0.00 0.00 175.10 171.58 3ity s PRO 55 N -0.22 4.42 0.34 1.54 0.04 -1.25 -0.43 135.00 139.44 3ity s PRO 55 Ca 0.05 1.57 0.06 0.00 0.04 0.00 0.00 61.00 62.72 3ity s PRO 55 Cb -0.13 -3.50 0.73 0.00 0.04 0.00 0.00 34.50 31.64 3ity s PRO 55 CO 0.02 -0.31 1.90 0.66 0.04 0.00 0.00 177.00 179.31 3ity h SER 56 N 7.14 0.72 0.61 6.66 4.64 -1.61 0.40 113.55 132.11 3ity h SER 56 Ca -0.36 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 3ity h SER 56 Cb 1.18 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 3ity h SER 56 CO 0.84 0.41 0.00 -2.67 -0.87 0.00 0.00 176.83 174.54 3ity n TRP 57 N -4.53 0.00 0.53 4.77 2.14 -1.26 -3.46 117.44 115.63 3ity n TRP 57 Ca 0.15 0.00 0.13 0.00 2.07 0.00 0.00 57.50 59.85 3ity n TRP 57 Cb 0.35 -0.39 0.39 0.00 -0.81 0.00 0.00 31.31 30.84 3ity n TRP 57 CO 0.00 0.00 0.00 0.78 2.07 0.00 0.00 177.69 180.54 3ity h GLY 58 N 3.87 0.00 0.90 -1.67 0.00 -1.20 -3.24 103.07 101.72 3ity h GLY 58 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3ity h GLY 58 CO 0.00 0.00 -0.12 3.33 0.00 0.00 0.00 176.54 179.75 3ity n VAL 59 N -2.41 0.00 -3.79 4.60 0.24 -1.22 -4.76 118.33 110.99 3ity n VAL 59 Ca 0.05 -0.06 -0.26 0.00 -2.04 0.00 0.00 64.34 62.02 3ity n VAL 59 Cb 0.42 -0.07 -0.03 0.00 -1.47 0.00 0.00 33.84 32.69 3ity n VAL 59 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3ity s GLY 60 N -2.50 1.70 0.16 7.63 0.00 -1.23 -4.66 107.32 108.42 3ity s GLY 60 Ca 0.28 -0.93 -0.30 0.00 0.00 0.00 0.00 44.72 43.76 3ity s GLY 60 CO 0.48 -0.91 1.26 -1.59 0.00 0.00 0.00 173.10 172.34 3ity s THR 61 N -1.85 3.52 0.66 0.90 2.01 -1.26 -4.65 115.64 114.97 3ity s THR 61 Ca 0.37 1.20 0.03 0.00 0.31 0.00 0.00 61.69 63.60 3ity s THR 61 Cb -0.11 -3.77 0.11 0.00 0.01 0.00 0.00 72.50 68.74 3ity s THR 61 CO 0.29 0.16 0.91 -0.83 -0.69 0.00 0.00 174.62 174.46 3ity s GLY 62 N 0.50 1.75 0.19 4.40 0.00 -0.40 -4.93 107.32 108.83 3ity s GLY 62 Ca 0.57 -1.89 -0.05 0.00 0.00 0.00 0.00 44.72 43.35 3ity s GLY 62 CO 0.35 -1.37 0.33 0.61 0.00 0.00 0.00 173.10 173.02 3ity n GLY 63 N -2.60 1.96 3.32 0.20 0.00 -1.26 -4.27 105.19 102.54 3ity n GLY 63 Ca 0.15 -1.29 -0.28 0.00 0.00 0.00 0.00 46.02 44.60 3ity n GLY 63 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ity n THR 64 N -0.28 0.00 0.45 2.61 -2.24 -0.53 -5.00 114.28 109.29 3ity n THR 64 Ca -0.02 -2.12 0.10 0.00 -2.27 0.00 0.00 64.05 59.74 3ity n THR 64 Cb 0.30 0.31 0.43 0.00 -2.10 0.00 0.00 70.33 69.27 3ity n THR 64 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 3ity n ARG 65 N -1.27 0.13 -0.00 -0.78 1.85 -1.26 -2.85 116.66 112.48 3ity n ARG 65 Ca -0.15 0.35 -0.10 0.00 -1.00 0.00 0.00 57.85 56.95 3ity n ARG 65 Cb 0.58 -1.74 -0.14 0.00 -1.05 0.00 0.00 32.46 30.11 3ity n ARG 65 CO 0.00 0.00 0.00 0.74 -0.01 0.00 0.00 177.63 178.36 3ity h PHE 66 N 0.00 0.08 -1.04 2.89 0.04 -1.92 -0.28 116.94 116.71 3ity h PHE 66 Ca 0.00 -0.06 0.36 0.00 2.80 0.00 0.00 57.97 61.07 3ity h PHE 66 Cb 0.35 -0.00 -0.18 0.00 2.20 0.00 0.00 35.95 38.32 3ity h PHE 66 CO 0.00 1.10 0.99 0.00 -0.60 0.00 0.00 178.31 179.80 3ity s ALA 67 N -2.61 -2.34 -0.05 2.45 0.00 -1.13 -2.97 121.76 115.11 3ity s ALA 67 Ca -0.06 1.51 0.01 0.00 0.00 0.00 0.00 51.96 53.42 3ity s ALA 67 Cb 0.08 -0.13 0.02 0.00 0.00 0.00 0.00 23.12 23.09 3ity s ALA 67 CO 0.82 -0.76 -0.04 0.50 0.00 0.00 0.00 175.76 176.28 3ity s ARG 68 N -2.03 0.81 -0.73 0.00 3.52 -0.65 -1.46 118.95 118.41 3ity s ARG 68 Ca 0.13 -0.09 0.04 0.00 -0.13 0.00 0.00 55.73 55.68 3ity s ARG 68 Cb 0.03 -0.85 0.18 0.00 -1.56 0.00 0.00 34.95 32.75 3ity s ARG 68 CO -0.04 -0.10 0.55 1.19 -0.81 0.00 0.00 175.30 176.09 3ity n PHE 69 N 4.13 3.42 -1.45 5.12 3.72 -1.26 -2.67 117.46 128.46 3ity n PHE 69 Ca -0.23 -4.29 -0.36 0.00 -0.05 0.00 0.00 57.45 52.52 3ity n PHE 69 Cb 0.51 -0.70 0.09 0.00 -0.94 0.00 0.00 39.48 38.44 3ity n PHE 69 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3ity n PRO 70 N 1.95 0.68 -0.23 -1.08 -0.04 -1.26 -4.98 135.00 130.05 3ity n PRO 70 Ca 0.21 0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.96 3ity n PRO 70 Cb 0.35 -2.40 0.00 0.00 -0.04 0.00 0.00 33.50 31.42 3ity n PRO 70 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ity n GLY 71 N 0.90 1.44 3.91 0.55 0.00 -1.26 -4.97 105.19 105.76 3ity n GLY 71 Ca 0.14 -1.99 -0.28 0.00 0.00 0.00 0.00 46.02 43.89 3ity n GLY 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ity s THR 72 N 1.39 5.02 -1.29 2.61 -4.23 -1.26 -4.42 115.64 113.46 3ity s THR 72 Ca 0.00 0.02 -0.04 0.00 -1.18 0.00 0.00 61.69 60.49 3ity s THR 72 Cb 0.00 -3.75 0.01 0.00 1.34 0.00 0.00 72.50 70.10 3ity s THR 72 CO 0.00 -0.37 1.06 0.61 -0.54 0.00 0.00 174.62 175.38 3ity n GLY 73 N -1.08 -0.44 3.76 3.99 0.00 -1.26 -4.75 105.19 105.40 3ity n GLY 73 Ca -0.02 0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3ity n GLY 73 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ity s GLU 74 N -5.85 4.54 0.30 1.61 0.41 -1.26 -4.73 118.70 113.72 3ity s GLU 74 Ca 0.28 1.93 -0.29 0.00 -0.41 0.00 0.00 54.97 56.47 3ity s GLU 74 Cb -0.12 -3.16 -0.10 0.00 -1.78 0.00 0.00 34.13 28.96 3ity s GLU 74 CO 0.74 0.06 1.43 -1.25 -0.49 0.00 0.00 175.26 175.75 3ity s PRO 75 N -1.37 4.24 0.09 0.39 0.04 -1.26 -4.84 135.00 132.29 3ity s PRO 75 Ca 0.47 2.37 0.01 0.00 0.04 0.00 0.00 61.00 63.89 3ity s PRO 75 Cb -0.34 -3.06 -0.25 0.00 0.04 0.00 0.00 34.50 30.89 3ity s PRO 75 CO 0.44 -0.40 1.19 0.00 0.04 0.00 0.00 177.00 178.26 3ity h ARG 76 N 4.11 0.14 0.00 4.56 3.08 -1.93 -3.48 114.38 120.86 3ity h ARG 76 Ca -0.48 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 59.33 3ity h ARG 76 Cb 1.22 0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.36 3ity h ARG 76 CO 0.72 1.10 0.00 0.41 -1.07 0.00 0.00 179.97 181.13 3ity n GLY 77 N 1.45 2.07 0.33 0.04 0.00 -1.26 -5.03 105.19 102.79 3ity n GLY 77 Ca -0.05 -0.85 0.05 0.00 0.00 0.00 0.00 46.02 45.17 3ity n GLY 77 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3ity h ILE 78 N 0.53 0.90 -0.67 -0.61 6.09 -1.90 -1.29 117.51 120.57 3ity h ILE 78 Ca 0.00 -0.30 -0.05 0.00 -1.37 0.00 0.00 64.86 63.14 3ity h ILE 78 Cb 0.00 -0.05 -0.03 0.00 0.47 0.00 0.00 36.82 37.22 3ity h ILE 78 CO 0.00 0.16 0.22 -0.26 -3.07 0.00 0.00 178.15 175.19 3ity h PHE 79 N 0.87 1.06 -0.56 2.19 0.04 -1.96 0.15 116.94 118.73 3ity h PHE 79 Ca 0.45 -0.10 -0.11 0.00 2.80 0.00 0.00 57.97 61.00 3ity h PHE 79 Cb 0.44 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 38.27 3ity h PHE 79 CO -0.04 0.85 -0.09 -0.44 -0.60 0.00 0.00 178.31 178.00 3ity h ASP 80 N 0.96 1.04 -0.78 2.17 3.32 -1.85 -2.43 116.42 118.85 3ity h ASP 80 Ca 0.22 -0.33 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 3ity h ASP 80 Cb 0.28 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.52 3ity h ASP 80 CO -0.01 1.13 0.40 0.11 -1.72 0.00 0.00 179.24 179.15 3ity h LYS 81 N 0.93 1.11 -0.48 3.56 1.57 -0.71 -1.64 116.57 120.91 3ity h LYS 81 Ca 0.15 -0.14 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 3ity h LYS 81 Cb 0.65 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 3ity h LYS 81 CO 0.05 0.84 -0.03 -0.07 -0.57 0.00 0.00 179.45 179.66 3ity h LEU 82 N 1.11 0.80 -0.97 2.94 3.38 -0.51 0.58 115.31 122.64 3ity h LEU 82 Ca 0.28 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 3ity h LEU 82 Cb 0.07 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 3ity h LEU 82 CO -0.04 0.89 0.24 0.44 0.09 0.00 0.00 178.44 180.06 3ity h ASP 83 N 0.76 0.91 -0.15 -0.43 3.32 -0.89 -0.69 116.42 119.26 3ity h ASP 83 Ca 0.14 -0.14 -0.22 0.00 0.02 0.00 0.00 57.03 56.83 3ity h ASP 83 Cb 0.51 -0.24 0.01 0.00 0.22 0.00 0.00 39.33 39.83 3ity h ASP 83 CO 0.03 0.83 -0.76 0.44 -1.72 0.00 0.00 179.24 178.05 3ity h ASP 84 N 0.96 0.94 -0.48 6.45 3.32 -0.86 -3.09 116.42 123.66 3ity h ASP 84 Ca 0.22 -0.60 -0.03 0.00 0.02 0.00 0.00 57.03 56.64 3ity h ASP 84 Cb 0.22 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 3ity h ASP 84 CO -0.02 1.40 0.20 0.00 -1.72 0.00 0.00 179.24 179.11 3ity h ALA 86 N 1.46 1.89 -0.38 0.00 0.00 -1.05 -1.22 119.26 119.96 3ity h ALA 86 Ca 0.18 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3ity h ALA 86 Cb 0.17 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3ity h ALA 86 CO -0.02 0.04 0.09 0.28 0.00 0.00 0.00 179.25 179.64 3ity h VAL 87 N 0.44 1.23 -0.57 0.00 2.07 -1.31 0.37 116.25 118.48 3ity h VAL 87 Ca 0.20 -0.79 0.01 0.00 0.82 0.00 0.00 66.70 66.94 3ity h VAL 87 Cb 0.25 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 3ity h VAL 87 CO -0.05 0.27 0.38 0.40 0.02 0.00 0.00 177.57 178.59 3ity h ILE 88 N 0.47 1.15 -0.36 4.57 2.04 -1.17 -1.70 117.51 122.52 3ity h ILE 88 Ca 0.12 -0.27 -0.10 0.00 1.00 0.00 0.00 64.86 65.60 3ity h ILE 88 Cb 0.32 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 3ity h ILE 88 CO 0.00 0.14 -0.18 -0.61 0.00 0.00 0.00 178.15 177.51 3ity h GLN 89 N 0.77 0.75 -0.71 2.37 5.75 -1.22 -1.10 115.11 121.72 3ity h GLN 89 Ca 0.21 -0.33 -0.00 0.00 -0.15 0.00 0.00 58.65 58.38 3ity h GLN 89 Cb -0.09 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.41 3ity h GLN 89 CO -0.04 0.94 0.45 0.37 -2.65 0.00 0.00 178.83 177.90 3ity h GLN 90 N 0.54 0.96 0.16 1.69 4.15 -0.68 0.48 115.11 122.41 3ity h GLN 90 Ca 0.08 -0.08 -0.31 0.00 0.77 0.00 0.00 58.65 59.11 3ity h GLN 90 Cb 0.72 -0.21 0.01 0.00 0.21 0.00 0.00 27.48 28.22 3ity h GLN 90 CO 0.05 0.67 -1.46 -0.07 -1.93 0.00 0.00 178.83 176.10 3ity h LEU 91 N 0.97 0.54 0.00 -2.39 3.38 -1.30 -3.35 115.31 113.16 3ity h LEU 91 Ca 0.26 -0.65 -0.24 0.00 0.09 0.00 0.00 57.88 57.34 3ity h LEU 91 Cb -0.06 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.47 3ity h LEU 91 CO -0.05 1.52 -2.21 0.35 0.09 0.00 0.00 178.44 178.14 3ity n THR 92 N -3.56 0.96 -1.65 0.22 -2.24 -0.42 -1.14 114.28 106.45 3ity n THR 92 Ca -0.15 -0.74 -0.20 0.00 -2.27 0.00 0.00 64.05 60.69 3ity n THR 92 Cb 1.06 -0.34 -0.08 0.00 -2.10 0.00 0.00 70.33 68.86 3ity n THR 92 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3ity n ARG 93 N -2.61 -1.47 0.00 -0.78 5.12 0.17 -4.78 116.66 112.31 3ity n ARG 93 Ca -0.23 1.18 0.05 0.00 -1.93 0.00 0.00 57.85 56.92 3ity n ARG 93 Cb 0.96 -5.57 0.03 0.00 -1.16 0.00 0.00 32.46 26.72 3ity n ARG 93 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3ity n ALA 94 N 1.03 2.57 -3.13 7.54 0.00 -1.26 -4.77 120.51 122.50 3ity n ALA 94 Ca -0.20 -0.53 -0.22 0.00 0.00 0.00 0.00 53.44 52.48 3ity n ALA 94 Cb 0.66 -0.34 -0.04 0.00 0.00 0.00 0.00 19.45 19.74 3ity n ALA 94 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3ity n THR 95 N 0.32 0.98 0.30 0.00 -2.24 -1.26 -1.46 114.28 110.91 3ity n THR 95 Ca 0.05 -4.89 0.18 0.00 -2.27 0.00 0.00 64.05 57.13 3ity n THR 95 Cb 0.23 -0.93 0.88 0.00 -2.10 0.00 0.00 70.33 68.41 3ity n THR 95 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3ity h PRO 96 N 3.18 0.00 -6.60 -0.78 0.13 -1.86 -3.41 132.00 122.66 3ity h PRO 96 Ca 0.11 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.55 3ity h PRO 96 Cb 0.79 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 31.67 3ity h PRO 96 CO 0.62 0.03 -0.84 -0.80 -0.23 0.00 0.00 178.00 176.78 3ity s ASN 97 N -5.62 3.52 -0.06 1.44 0.01 -1.26 0.06 114.94 113.04 3ity s ASN 97 Ca -0.02 -0.46 0.02 0.00 -0.71 0.00 0.00 52.86 51.70 3ity s ASN 97 Cb 0.11 -0.50 -0.03 0.00 0.41 0.00 0.00 41.25 41.25 3ity s ASN 97 CO 0.51 0.28 -0.12 -0.69 -1.51 0.00 0.00 177.10 175.57 3ity s VAL 98 N -0.82 3.27 -0.25 1.60 1.01 -0.50 -1.30 120.40 123.42 3ity s VAL 98 Ca 0.13 -0.64 -0.12 0.00 0.00 0.00 0.00 61.98 61.35 3ity s VAL 98 Cb -0.10 -2.31 -0.05 0.00 0.00 0.00 0.00 36.38 33.92 3ity s VAL 98 CO 0.03 0.59 0.25 -0.44 0.00 0.00 0.00 175.10 175.52 3ity s SER 99 N -0.65 6.18 0.27 3.32 0.01 0.42 -0.61 113.70 122.64 3ity s SER 99 Ca 0.10 0.19 -0.07 0.00 1.31 0.00 0.00 55.95 57.47 3ity s SER 99 Cb -0.11 -2.15 -0.06 0.00 0.21 0.00 0.00 66.02 63.91 3ity s SER 99 CO 0.01 -0.03 0.57 -0.76 0.41 0.00 0.00 173.24 173.44 3ity s LEU 100 N 1.44 4.09 -0.11 2.44 1.02 -1.24 -1.44 118.68 124.88 3ity s LEU 100 Ca 0.11 0.84 0.02 0.00 0.02 0.00 0.00 54.13 55.12 3ity s LEU 100 Cb -0.15 -3.64 0.01 0.00 0.02 0.00 0.00 46.19 42.44 3ity s LEU 100 CO 0.08 -0.16 -0.17 -2.28 0.02 0.00 0.00 176.35 173.84 3ity s HIS 101 N -1.99 2.09 -0.05 0.29 2.46 -1.26 -0.84 115.29 115.99 3ity s HIS 101 Ca 0.46 -0.96 -0.00 0.00 0.47 0.00 0.00 55.06 55.03 3ity s HIS 101 Cb -0.11 -1.48 -0.03 0.00 -0.13 0.00 0.00 32.58 30.83 3ity s HIS 101 CO 0.26 -0.46 -0.01 0.42 -2.47 0.00 0.00 174.74 172.48 3ity s ILE 102 N 0.83 4.19 -2.17 0.89 -1.09 -0.26 0.08 121.20 123.67 3ity s ILE 102 Ca -0.09 -0.40 0.27 0.00 -2.23 0.00 0.00 60.65 58.19 3ity s ILE 102 Cb -0.16 -2.80 0.68 0.00 -1.58 0.00 0.00 42.46 38.61 3ity s ILE 102 CO 0.00 0.52 1.91 -0.81 -1.23 0.00 0.00 174.94 175.33 3ity n PRO 103 N 1.86 1.28 -0.20 2.79 -0.04 -1.26 -2.36 135.00 137.07 3ity n PRO 103 Ca -0.17 -0.41 0.01 0.00 -0.04 0.00 0.00 63.50 62.89 3ity n PRO 103 Cb 0.53 -1.44 0.11 0.00 -0.04 0.00 0.00 33.50 32.66 3ity n PRO 103 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3ity h TRP 104 N 0.93 0.10 -0.51 0.54 6.55 -1.90 -1.91 115.95 119.75 3ity h TRP 104 Ca 0.00 0.04 0.00 0.00 0.95 0.00 0.00 58.89 59.88 3ity h TRP 104 Cb 0.20 0.05 0.00 0.00 -0.86 0.00 0.00 29.16 28.55 3ity h TRP 104 CO 0.01 -0.09 0.00 -0.25 -1.05 0.00 0.00 178.44 177.06 3ity n ASP 105 N -5.20 4.80 -4.70 -3.49 8.00 0.11 -4.62 116.55 111.44 3ity n ASP 105 Ca 0.09 -2.68 -0.42 0.00 0.71 0.00 0.00 54.79 52.49 3ity n ASP 105 Cb 0.34 -0.63 -0.03 0.00 -0.02 0.00 0.00 41.12 40.78 3ity n ASP 105 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3ity s LYS 106 N -2.31 4.13 0.10 -1.24 2.20 -0.72 -4.90 119.74 117.00 3ity s LYS 106 Ca 0.46 2.61 -0.26 0.00 -0.36 0.00 0.00 55.97 58.41 3ity s LYS 106 Cb 0.33 -3.35 0.08 0.00 -1.51 0.00 0.00 37.83 33.39 3ity s LYS 106 CO 0.15 -0.80 1.09 0.00 -0.36 0.00 0.00 175.35 175.43 3ity s ALA 107 N 2.01 -1.86 -0.08 3.13 0.00 -1.26 -5.00 121.76 118.71 3ity s ALA 107 Ca 0.78 0.16 -0.29 0.00 0.00 0.00 0.00 51.96 52.61 3ity s ALA 107 Cb -0.48 0.61 -0.07 0.00 0.00 0.00 0.00 23.12 23.18 3ity s ALA 107 CO 0.34 -1.06 2.01 0.34 0.00 0.00 0.00 175.76 177.39 3ity s ASP 108 N -3.12 6.12 0.45 0.00 2.15 -1.26 -4.85 116.67 116.16 3ity s ASP 108 Ca 0.16 2.29 0.25 0.00 0.43 0.00 0.00 52.55 55.69 3ity s ASP 108 Cb 0.00 -2.52 1.28 0.00 -0.30 0.00 0.00 42.92 41.37 3ity s ASP 108 CO 0.01 -1.37 1.79 -0.65 -0.17 0.00 0.00 175.17 174.78 3ity h PRO 109 N 12.06 0.23 -0.48 4.34 0.11 -1.94 0.21 132.00 146.53 3ity h PRO 109 Ca -0.45 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.53 3ity h PRO 109 Cb 1.23 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3ity h PRO 109 CO 0.95 0.15 -0.15 0.87 -0.21 0.00 0.00 178.00 179.62 3ity h LYS 110 N 0.24 0.94 -0.22 1.05 1.57 -1.88 -1.79 116.57 116.49 3ity h LYS 110 Ca 0.58 -0.38 -0.10 0.00 -1.87 0.00 0.00 60.65 58.88 3ity h LYS 110 Cb 1.77 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 34.04 3ity h LYS 110 CO -0.19 1.04 -0.26 0.93 -0.57 0.00 0.00 179.45 180.41 3ity h GLU 111 N 0.79 0.56 -0.14 3.15 5.08 -1.37 -1.48 114.58 121.16 3ity h GLU 111 Ca 0.12 -0.31 0.04 0.00 -1.00 0.00 0.00 59.36 58.21 3ity h GLU 111 Cb 0.71 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.93 3ity h GLU 111 CO 0.05 0.90 -0.15 -0.07 -1.00 0.00 0.00 179.01 178.74 3ity h LEU 112 N 0.24 -0.48 -0.84 1.33 3.38 -1.26 0.23 115.31 117.91 3ity h LEU 112 Ca 0.03 0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 3ity h LEU 112 Cb 0.82 0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.76 3ity h LEU 112 CO 0.06 -0.20 0.38 0.50 0.09 0.00 0.00 178.44 179.27 3ity h LYS 113 N -0.19 1.22 -0.48 1.13 1.63 -1.33 -0.81 116.57 117.74 3ity h LYS 113 Ca 0.10 -0.19 -0.05 0.00 -0.85 0.00 0.00 60.65 59.65 3ity h LYS 113 Cb 0.33 -0.21 -0.02 0.00 -0.60 0.00 0.00 32.23 31.73 3ity h LYS 113 CO -0.25 0.95 0.10 0.00 -3.45 0.00 0.00 179.45 176.80 3ity h ALA 114 N 1.20 0.63 -0.38 5.00 0.00 -0.64 -1.76 119.26 123.31 3ity h ALA 114 Ca 0.28 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3ity h ALA 114 Cb 0.15 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3ity h ALA 114 CO -0.03 0.34 0.02 -0.09 0.00 0.00 0.00 179.25 179.49 3ity h ARG 115 N 0.66 0.67 -0.18 0.00 9.65 -0.28 -2.40 114.38 122.50 3ity h ARG 115 Ca 0.15 -0.20 0.03 0.00 -1.10 0.00 0.00 59.98 58.85 3ity h ARG 115 Cb 0.36 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.85 3ity h ARG 115 CO 0.01 0.75 0.01 0.78 2.80 0.00 0.00 179.97 184.32 3ity h GLY 116 N 0.50 0.18 0.63 2.80 0.00 -1.03 -1.00 103.07 105.14 3ity h GLY 116 Ca 0.11 0.01 0.07 0.00 0.00 0.00 0.00 47.33 47.52 3ity h GLY 116 CO 0.02 -0.02 0.34 -0.55 0.00 0.00 0.00 176.54 176.33 3ity h ASP 117 N 0.07 0.49 -0.19 0.19 3.32 -1.24 0.31 116.42 119.37 3ity h ASP 117 Ca 0.08 0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.11 3ity h ASP 117 Cb 0.10 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 3ity h ASP 117 CO -0.13 0.31 -0.07 0.00 -1.72 0.00 0.00 179.24 177.63 3ity h ALA 118 N 1.36 1.28 -0.00 3.45 0.00 -1.02 -2.58 119.26 121.75 3ity h ALA 118 Ca 0.30 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3ity h ALA 118 Cb 0.23 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3ity h ALA 118 CO -0.20 0.48 -0.34 1.28 0.00 0.00 0.00 179.25 180.47 3ity n LEU 119 N -4.23 0.55 -0.59 0.00 4.77 -0.42 -2.20 117.00 114.87 3ity n LEU 119 Ca 0.01 0.01 -0.03 0.00 -0.03 0.00 0.00 56.01 55.97 3ity n LEU 119 Cb 0.29 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3ity n LEU 119 CO 0.40 0.12 -0.00 0.61 -1.33 0.00 0.00 177.39 177.19 3ity n GLY 120 N 1.44 0.50 3.28 -0.72 0.00 0.75 -4.90 105.19 105.54 3ity n GLY 120 Ca 0.08 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 45.14 3ity n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ity s LEU 121 N -1.28 2.08 0.00 0.99 1.43 0.74 -4.89 118.68 117.74 3ity s LEU 121 Ca 0.04 -0.47 0.05 0.00 -1.03 0.00 0.00 54.13 52.72 3ity s LEU 121 Cb -0.02 -1.20 0.05 0.00 0.03 0.00 0.00 46.19 45.05 3ity s LEU 121 CO 0.05 0.27 0.43 0.61 0.23 0.00 0.00 176.35 177.93 3ity n GLY 122 N 2.28 2.42 3.13 -3.19 0.00 0.11 -3.88 105.19 106.06 3ity n GLY 122 Ca -0.16 -2.23 -0.30 0.00 0.00 0.00 0.00 46.02 43.32 3ity n GLY 122 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ity s PHE 123 N -1.79 2.26 0.00 1.61 0.08 -1.26 -1.41 117.98 117.48 3ity s PHE 123 Ca 0.32 -1.04 0.00 0.00 0.12 0.00 0.00 56.93 56.33 3ity s PHE 123 Cb -0.03 -1.57 0.00 0.00 -0.57 0.00 0.00 43.02 40.85 3ity s PHE 123 CO 0.21 -0.48 0.00 -3.47 -0.10 0.00 0.00 175.22 171.37 3ity n ASP 124 N 3.96 0.00 -4.65 1.36 -0.08 0.22 -4.15 116.55 113.21 3ity n ASP 124 Ca -0.20 0.00 -0.44 0.00 -1.51 0.00 0.00 54.79 52.65 3ity n ASP 124 Cb 0.52 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.97 3ity n ASP 124 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3ity n ALA 125 N -3.00 0.67 -1.83 -1.67 0.00 -1.26 -4.59 120.51 108.83 3ity n ALA 125 Ca 0.00 0.38 -0.33 0.00 0.00 0.00 0.00 53.44 53.49 3ity n ALA 125 Cb 0.00 -2.17 -0.05 0.00 0.00 0.00 0.00 19.45 17.23 3ity n ALA 125 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3ity s MET 126 N -1.57 4.09 -0.13 0.00 -1.94 0.27 -3.61 119.30 116.41 3ity s MET 126 Ca 0.58 1.06 0.00 0.00 -1.71 0.00 0.00 55.69 55.63 3ity s MET 126 Cb -0.63 -2.16 0.02 0.00 2.01 0.00 0.00 34.83 34.07 3ity s MET 126 CO 0.60 -0.15 -0.12 -0.80 -0.01 0.00 0.00 175.02 174.54 3ity s ASN 127 N -2.55 2.41 0.46 3.03 0.01 -0.02 -0.01 114.94 118.28 3ity s ASN 127 Ca 0.61 -0.40 -0.10 0.00 -0.71 0.00 0.00 52.86 52.26 3ity s ASN 127 Cb -0.10 -1.02 -0.06 0.00 0.41 0.00 0.00 41.25 40.49 3ity s ASN 127 CO 0.21 -0.07 0.82 -0.94 -1.51 0.00 0.00 177.10 175.61 3ity s SER 128 N 1.47 6.44 -0.34 -1.22 1.04 -1.14 -1.10 113.70 118.85 3ity s SER 128 Ca 0.03 1.15 0.01 0.00 0.48 0.00 0.00 55.95 57.62 3ity s SER 128 Cb -0.13 -2.34 0.11 0.00 0.10 0.00 0.00 66.02 63.76 3ity s SER 128 CO -0.08 -0.51 0.11 0.21 0.98 0.00 0.00 173.24 173.95 3ity s ASN 129 N -3.49 4.13 -0.16 7.02 3.84 -0.99 -4.66 114.94 120.63 3ity s ASN 129 Ca 0.51 -1.94 0.15 0.00 0.21 0.00 0.00 52.86 51.80 3ity s ASN 129 Cb -0.10 -1.07 0.43 0.00 -0.55 0.00 0.00 41.25 39.96 3ity s ASN 129 CO 0.37 -0.38 1.20 0.35 -2.79 0.00 0.00 177.10 175.85 3ity n THR 130 N 4.47 1.57 -0.38 -5.21 -2.24 -1.26 -4.64 114.28 106.60 3ity n THR 130 Ca 0.01 -2.68 0.05 0.00 -2.27 0.00 0.00 64.05 59.17 3ity n THR 130 Cb 0.41 0.10 0.15 0.00 -2.10 0.00 0.00 70.33 68.88 3ity n THR 130 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 3ity n PHE 131 N -0.61 0.45 -3.47 4.78 1.16 -1.26 -4.61 117.46 113.90 3ity n PHE 131 Ca 0.17 -0.61 -0.12 0.00 -1.87 0.00 0.00 57.45 55.01 3ity n PHE 131 Cb 0.85 -0.10 -0.03 0.00 -1.61 0.00 0.00 39.48 38.59 3ity n PHE 131 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 3ity s SER 132 N -1.33 -0.51 -0.14 5.98 1.04 -1.26 -4.93 113.70 112.56 3ity s SER 132 Ca 0.23 -0.02 -0.08 0.00 0.48 0.00 0.00 55.95 56.56 3ity s SER 132 Cb 0.16 0.57 -0.04 0.00 0.10 0.00 0.00 66.02 66.80 3ity s SER 132 CO 0.10 -0.92 0.14 -1.81 0.98 0.00 0.00 173.24 171.74 3ity s ASP 133 N -2.66 6.35 0.12 7.02 1.01 -1.26 -4.83 116.67 122.43 3ity s ASP 133 Ca 0.01 0.42 0.03 0.00 0.71 0.00 0.00 52.55 53.71 3ity s ASP 133 Cb -0.00 -2.08 -0.04 0.00 1.01 0.00 0.00 42.92 41.81 3ity s ASP 133 CO -0.11 0.34 0.19 0.00 0.21 0.00 0.00 175.17 175.80 3ity s ALA 134 N -0.64 3.80 0.29 5.23 0.00 -1.26 -5.05 121.76 124.13 3ity s ALA 134 Ca 0.13 -1.04 -0.29 0.00 0.00 0.00 0.00 51.96 50.76 3ity s ALA 134 Cb -0.12 -1.62 -0.13 0.00 0.00 0.00 0.00 23.12 21.25 3ity s ALA 134 CO 0.03 0.62 1.26 -2.30 0.00 0.00 0.00 175.76 175.36 3ity n PRO 135 N -0.16 1.88 -0.94 0.00 -0.02 -1.26 -1.67 135.00 132.83 3ity n PRO 135 Ca -0.07 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3ity n PRO 135 Cb 0.53 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 3ity n PRO 135 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ity n GLY 136 N 1.34 0.50 3.73 -1.23 0.00 -1.26 -4.98 105.19 103.29 3ity n GLY 136 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3ity n GLY 136 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3ity s GLN 137 N -0.45 4.24 0.13 1.61 0.74 -0.67 -4.93 119.66 120.33 3ity s GLN 137 Ca 0.00 2.32 -0.12 0.00 0.05 0.00 0.00 55.36 57.61 3ity s GLN 137 Cb 0.00 -3.14 -0.04 0.00 1.10 0.00 0.00 33.01 30.93 3ity s GLN 137 CO 0.00 -0.52 1.48 0.00 -0.55 0.00 0.00 175.29 175.70 3ity h ALA 138 N 5.99 0.56 -3.62 1.58 0.00 -1.94 -3.44 119.26 118.39 3ity h ALA 138 Ca -0.44 -0.42 -0.57 0.00 0.00 0.00 0.00 54.91 53.48 3ity h ALA 138 Cb 1.21 -0.12 -0.32 0.00 0.00 0.00 0.00 17.79 18.55 3ity h ALA 138 CO 0.85 0.60 -0.84 -1.01 0.00 0.00 0.00 179.25 178.86 3ity s HIS 139 N -4.47 1.77 0.41 0.00 3.76 -1.26 -5.13 115.29 110.37 3ity s HIS 139 Ca -0.12 -0.61 -0.23 0.00 -0.15 0.00 0.00 55.06 53.96 3ity s HIS 139 Cb 0.11 -1.22 -0.10 0.00 1.11 0.00 0.00 32.58 32.48 3ity s HIS 139 CO 0.86 -0.25 1.00 0.45 -0.85 0.00 0.00 174.74 175.95 3ity s SER 140 N 0.32 6.85 -0.20 1.40 0.15 -1.26 -4.96 113.70 116.01 3ity s SER 140 Ca -0.11 1.89 0.15 0.00 0.70 0.00 0.00 55.95 58.58 3ity s SER 140 Cb -0.14 -2.57 0.77 0.00 -1.71 0.00 0.00 66.02 62.37 3ity s SER 140 CO 0.04 -0.42 1.67 -1.22 1.20 0.00 0.00 173.24 174.51 3ity n TYR 141 N -0.24 1.86 -0.25 3.44 4.01 -1.26 -4.58 117.16 120.14 3ity n TYR 141 Ca 0.06 -0.66 0.04 0.00 -0.16 0.00 0.00 57.90 57.17 3ity n TYR 141 Cb 0.51 -0.43 0.17 0.00 -0.31 0.00 0.00 39.34 39.29 3ity n TYR 141 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 3ity h LYS 142 N 3.88 0.47 -0.51 -0.72 3.64 -1.94 -1.65 116.57 119.74 3ity h LYS 142 Ca 0.00 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 3ity h LYS 142 Cb 1.79 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 33.49 3ity h LYS 142 CO 0.41 0.31 0.03 0.66 -2.27 0.00 0.00 179.45 178.59 3ity n TYR 143 N -4.97 1.82 0.00 1.91 4.01 -1.26 -5.05 117.16 113.62 3ity n TYR 143 Ca 0.13 -0.83 0.00 0.00 -0.16 0.00 0.00 57.90 57.04 3ity n TYR 143 Cb 0.38 -0.48 0.00 0.00 -0.31 0.00 0.00 39.34 38.92 3ity n TYR 143 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ity n GLY 144 N 0.21 1.13 0.00 2.72 0.00 -0.62 -4.65 105.19 103.99 3ity n GLY 144 Ca 0.28 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 44.09 3ity n GLY 144 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ity n SER 145 N 0.00 0.00 0.29 1.61 3.41 -1.26 -4.24 113.62 113.43 3ity n SER 145 Ca 0.00 0.00 0.17 0.00 -0.26 0.00 0.00 58.87 58.78 3ity n SER 145 Cb 0.00 0.00 0.89 0.00 -0.26 0.00 0.00 64.21 64.84 3ity n SER 145 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3ity h LEU 146 N 0.00 0.00 -2.89 1.04 3.38 -1.87 -2.38 115.31 112.59 3ity h LEU 146 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ity h LEU 146 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3ity h LEU 146 CO 0.00 0.05 0.00 -1.54 0.09 0.00 0.00 178.44 177.04 3ity n SER 147 N -3.33 2.67 -4.69 -0.43 3.41 -1.26 -3.81 113.62 106.18 3ity n SER 147 Ca -0.02 -1.99 -0.39 0.00 -0.26 0.00 0.00 58.87 56.22 3ity n SER 147 Cb 0.19 -0.17 0.04 0.00 -0.26 0.00 0.00 64.21 64.02 3ity n SER 147 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3ity n HIS 148 N 0.26 1.72 0.25 7.33 -0.00 -0.89 -4.80 115.22 119.09 3ity n HIS 148 Ca 0.09 0.45 0.13 0.00 -0.00 0.00 0.00 57.72 58.38 3ity n HIS 148 Cb 0.38 -2.28 0.64 0.00 -0.00 0.00 0.00 29.99 28.73 3ity n HIS 148 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.34 178.13 3ity h THR 149 N 1.12 0.44 -3.35 3.57 1.35 -1.91 -3.43 112.91 110.70 3ity h THR 149 Ca -0.49 -0.75 -0.60 0.00 -0.55 0.00 0.00 66.41 64.02 3ity h THR 149 Cb 1.33 1.53 -0.10 0.00 -1.73 0.00 0.00 68.15 69.18 3ity h THR 149 CO 0.55 0.14 0.35 0.21 -0.25 0.00 0.00 175.52 176.52 3ity s ASN 150 N -6.04 6.75 0.23 5.36 2.47 -1.26 -4.96 114.94 117.48 3ity s ASN 150 Ca -0.01 0.92 -0.07 0.00 0.42 0.00 0.00 52.86 54.13 3ity s ASN 150 Cb 0.11 -2.40 0.33 0.00 -1.45 0.00 0.00 41.25 37.84 3ity s ASN 150 CO 0.59 -0.45 1.80 0.00 -3.72 0.00 0.00 177.10 175.32 3ity h ALA 151 N 7.72 1.03 -0.79 1.71 0.00 -1.99 -1.98 119.26 124.96 3ity h ALA 151 Ca -0.25 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3ity h ALA 151 Cb 1.11 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 3ity h ALA 151 CO 0.83 0.04 0.46 0.00 0.00 0.00 0.00 179.25 180.58 3ity h ALA 152 N 1.41 1.32 -0.49 0.00 0.00 -1.96 0.20 119.26 119.74 3ity h ALA 152 Ca 0.35 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 3ity h ALA 152 Cb 0.31 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3ity h ALA 152 CO -0.23 0.57 -0.05 1.15 0.00 0.00 0.00 179.25 180.69 3ity h THR 153 N 1.10 1.27 -0.44 0.00 2.02 -1.74 -0.91 112.91 114.20 3ity h THR 153 Ca 0.28 -1.15 -0.04 0.00 0.77 0.00 0.00 66.41 66.27 3ity h THR 153 Cb -0.01 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 3ity h THR 153 CO -0.05 0.40 0.13 0.03 0.37 0.00 0.00 175.52 176.40 3ity h ARG 154 N 0.75 0.69 -0.75 6.66 3.08 -0.83 -1.79 114.38 122.19 3ity h ARG 154 Ca 0.13 -0.15 0.02 0.00 0.07 0.00 0.00 59.98 60.05 3ity h ARG 154 Cb 0.58 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.49 3ity h ARG 154 CO 0.03 0.67 0.48 0.00 -1.07 0.00 0.00 179.97 180.09 3ity h ALA 155 N 0.99 0.96 -0.87 0.04 0.00 -0.79 0.07 119.26 119.66 3ity h ALA 155 Ca 0.14 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3ity h ALA 155 Cb 0.27 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3ity h ALA 155 CO -0.00 0.31 0.53 0.37 0.00 0.00 0.00 179.25 180.45 3ity h GLN 156 N 0.96 1.17 -0.46 0.00 4.15 -0.90 0.34 115.11 120.36 3ity h GLN 156 Ca 0.29 -0.10 -0.06 0.00 0.77 0.00 0.00 58.65 59.54 3ity h GLN 156 Cb -0.04 -0.25 -0.02 0.00 0.21 0.00 0.00 27.48 27.38 3ity h GLN 156 CO -0.09 0.82 0.04 0.00 -1.93 0.00 0.00 178.83 177.67 3ity h ALA 157 N 1.29 0.62 -0.33 3.38 0.00 -0.51 -1.47 119.26 122.24 3ity h ALA 157 Ca 0.31 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3ity h ALA 157 Cb -0.05 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3ity h ALA 157 CO -0.06 0.38 0.17 0.28 0.00 0.00 0.00 179.25 180.02 3ity h VAL 158 N 0.65 1.15 -0.83 0.00 2.07 -0.59 -1.98 116.25 116.72 3ity h VAL 158 Ca 0.14 -0.41 0.03 0.00 0.82 0.00 0.00 66.70 67.27 3ity h VAL 158 Cb 0.45 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 30.99 3ity h VAL 158 CO 0.02 0.15 0.53 -0.08 0.02 0.00 0.00 177.57 178.21 3ity h GLU 159 N 0.40 1.01 -0.31 1.57 4.57 -0.77 -1.07 114.58 119.99 3ity h GLU 159 Ca 0.11 -0.06 0.01 0.00 -1.18 0.00 0.00 59.36 58.24 3ity h GLU 159 Cb 0.10 -0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 28.44 3ity h GLU 159 CO -0.02 0.67 0.19 1.25 -1.18 0.00 0.00 179.01 179.92 3ity h HIS 160 N 1.04 0.35 -0.77 0.92 2.76 -0.93 -0.89 115.15 117.63 3ity h HIS 160 Ca 0.33 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.48 3ity h HIS 160 Cb -0.01 -0.11 -0.04 0.00 1.55 0.00 0.00 27.41 28.80 3ity h HIS 160 CO -0.02 0.21 0.37 -0.91 -1.30 0.00 0.00 177.93 176.28 3ity h ASN 161 N 0.38 0.99 -0.29 3.26 2.35 -0.80 -1.36 115.58 120.11 3ity h ASN 161 Ca 0.12 -0.11 -0.07 0.00 -0.55 0.00 0.00 56.30 55.69 3ity h ASN 161 Cb -0.01 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.09 3ity h ASN 161 CO -0.05 0.83 -0.04 -0.07 -1.65 0.00 0.00 177.43 176.46 3ity h LEU 162 N 1.09 0.62 -0.98 1.61 3.38 -0.81 -1.76 115.31 118.45 3ity h LEU 162 Ca 0.27 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 3ity h LEU 162 Cb 0.10 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3ity h LEU 162 CO -0.03 0.71 0.13 -0.08 0.09 0.00 0.00 178.44 179.26 3ity h GLU 163 N 0.61 0.86 -0.65 1.13 4.81 -0.28 -1.69 114.58 119.36 3ity h GLU 163 Ca 0.12 -0.18 -0.04 0.00 -0.13 0.00 0.00 59.36 59.13 3ity h GLU 163 Cb 0.44 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 3ity h GLU 163 CO 0.02 0.78 0.25 0.00 -0.73 0.00 0.00 179.01 179.34 3ity h ILE 165 N 0.94 1.27 -0.46 0.00 2.04 -0.78 -0.76 117.51 119.76 3ity h ILE 165 Ca 0.22 -1.13 -0.03 0.00 1.00 0.00 0.00 64.86 64.92 3ity h ILE 165 Cb 0.19 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 3ity h ILE 165 CO -0.02 0.41 0.17 -0.33 0.00 0.00 0.00 178.15 178.38 3ity h GLU 166 N 0.95 0.70 -0.61 2.37 4.39 -0.77 -0.38 114.58 121.22 3ity h GLU 166 Ca 0.17 -0.14 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 3ity h GLU 166 Cb 0.54 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.06 3ity h GLU 166 CO 0.03 0.65 0.30 0.82 -1.16 0.00 0.00 179.01 179.64 3ity h ILE 167 N 0.60 1.21 -0.59 3.13 1.08 -1.07 -2.82 117.51 119.05 3ity h ILE 167 Ca 0.15 -0.59 -0.06 0.00 -0.39 0.00 0.00 64.86 63.97 3ity h ILE 167 Cb 0.22 0.48 -0.03 0.00 -3.07 0.00 0.00 36.82 34.42 3ity h ILE 167 CO -0.01 0.24 0.14 1.23 -0.69 0.00 0.00 178.15 179.06 3ity h GLY 168 N 0.83 0.99 1.92 5.37 0.00 -0.78 -2.63 103.07 108.77 3ity h GLY 168 Ca 0.21 -0.59 -0.04 0.00 0.00 0.00 0.00 47.33 46.91 3ity h GLY 168 CO -0.03 0.55 -0.14 0.50 0.00 0.00 0.00 176.54 177.42 3ity h LYS 169 N 0.88 0.10 0.00 4.80 1.57 -0.83 0.28 116.57 123.37 3ity h LYS 169 Ca 0.19 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3ity h LYS 169 Cb 0.32 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3ity h LYS 169 CO 0.00 0.24 -0.01 0.00 -0.57 0.00 0.00 179.45 179.11 3ity h ALA 170 N 1.77 0.99 -0.07 3.86 0.00 -1.29 -3.32 119.26 121.20 3ity h ALA 170 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3ity h ALA 170 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3ity h ALA 170 CO 0.02 0.00 0.00 0.44 0.00 0.00 0.00 179.25 179.71 3ity n ILE 171 N -2.52 0.32 -0.01 0.00 -5.35 -0.93 -4.84 119.36 106.04 3ity n ILE 171 Ca 0.05 -0.66 0.00 0.00 -0.27 0.00 0.00 62.75 61.87 3ity n ILE 171 Cb 0.46 0.93 0.00 0.00 -1.74 0.00 0.00 39.64 39.30 3ity n ILE 171 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ity n GLY 172 N 0.29 0.63 3.77 3.28 0.00 -0.85 -4.58 105.19 107.73 3ity n GLY 172 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 3ity n GLY 172 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ity s SER 173 N -2.75 5.02 -0.05 1.61 0.15 0.03 -4.85 113.70 112.86 3ity s SER 173 Ca 0.00 1.99 0.08 0.00 0.70 0.00 0.00 55.95 58.72 3ity s SER 173 Cb 0.00 -2.55 0.12 0.00 -1.71 0.00 0.00 66.02 61.88 3ity s SER 173 CO 0.00 -1.69 1.06 0.29 1.20 0.00 0.00 173.24 174.10 3ity n LYS 174 N -2.53 0.49 -3.51 5.44 4.76 -1.26 -4.49 118.16 117.07 3ity n LYS 174 Ca 0.10 -1.62 -0.10 0.00 -2.87 0.00 0.00 58.31 53.82 3ity n LYS 174 Cb 0.52 -0.88 -0.03 0.00 -1.84 0.00 0.00 35.03 32.80 3ity n LYS 174 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ity s ALA 175 N -1.11 -1.81 -0.10 7.82 0.00 -1.26 -1.96 121.76 123.33 3ity s ALA 175 Ca 0.13 1.10 0.03 0.00 0.00 0.00 0.00 51.96 53.21 3ity s ALA 175 Cb 0.11 0.20 0.01 0.00 0.00 0.00 0.00 23.12 23.44 3ity s ALA 175 CO 0.01 -0.59 -0.18 -1.17 0.00 0.00 0.00 175.76 173.83 3ity s LEU 176 N -2.11 1.86 -0.20 0.00 2.96 -0.65 -0.57 118.68 119.98 3ity s LEU 176 Ca 0.02 -0.46 -0.07 0.00 -0.22 0.00 0.00 54.13 53.39 3ity s LEU 176 Cb -0.01 -1.17 -0.04 0.00 0.50 0.00 0.00 46.19 45.47 3ity s LEU 176 CO -0.05 0.07 0.06 -0.89 -1.32 0.00 0.00 176.35 174.21 3ity s THR 177 N 0.73 4.60 -0.30 3.68 2.01 0.99 -0.43 115.64 126.93 3ity s THR 177 Ca -0.11 -0.09 -0.01 0.00 0.31 0.00 0.00 61.69 61.79 3ity s THR 177 Cb -0.16 -3.09 0.06 0.00 0.01 0.00 0.00 72.50 69.31 3ity s THR 177 CO 0.02 0.42 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.68 3ity s VAL 178 N 0.74 2.82 -0.12 3.82 1.01 0.14 -2.88 120.40 125.93 3ity s VAL 178 Ca 0.03 -1.51 0.01 0.00 0.00 0.00 0.00 61.98 60.51 3ity s VAL 178 Cb -0.13 -2.67 0.02 0.00 0.00 0.00 0.00 36.38 33.60 3ity s VAL 178 CO 0.02 -0.15 -0.15 0.86 0.00 0.00 0.00 175.10 175.68 3ity s TRP 179 N 1.20 2.09 0.23 5.22 -0.00 -1.26 -2.22 118.94 124.20 3ity s TRP 179 Ca -0.04 -1.06 0.08 0.00 -0.00 0.00 0.00 56.10 55.08 3ity s TRP 179 Cb -0.20 -1.51 -0.05 0.00 -0.00 0.00 0.00 33.47 31.71 3ity s TRP 179 CO -0.02 -0.56 -0.14 0.96 -0.00 0.00 0.00 176.95 177.19 3ity s ILE 180 N 1.15 1.85 -2.22 5.86 -4.36 -1.26 -4.69 121.20 117.54 3ity s ILE 180 Ca -0.02 -2.23 0.26 0.00 -0.26 0.00 0.00 60.65 58.39 3ity s ILE 180 Cb -0.14 -2.14 0.32 0.00 1.25 0.00 0.00 42.46 41.75 3ity s ILE 180 CO -0.05 -0.53 1.53 0.61 0.24 0.00 0.00 174.94 176.75 3ity n GLY 181 N -0.45 -0.11 3.24 6.27 0.00 -1.26 -4.96 105.19 107.93 3ity n GLY 181 Ca -0.07 -0.49 -0.57 0.00 0.00 0.00 0.00 46.02 44.89 3ity n GLY 181 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ity n ASP 182 N -0.02 0.60 0.00 1.61 9.92 -1.26 -4.10 116.55 123.30 3ity n ASP 182 Ca 0.14 1.05 0.00 0.00 -0.53 0.00 0.00 54.79 55.45 3ity n ASP 182 Cb 0.40 -0.80 0.00 0.00 -0.64 0.00 0.00 41.12 40.08 3ity n ASP 182 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3ity n GLY 183 N 2.58 -0.58 3.08 0.44 0.00 -1.26 -1.78 105.19 107.67 3ity n GLY 183 Ca 0.23 -0.67 -0.08 0.00 0.00 0.00 0.00 46.02 45.50 3ity n GLY 183 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ity s SER 184 N -4.00 0.56 0.00 1.61 1.04 0.42 -4.89 113.70 108.43 3ity s SER 184 Ca 0.00 -0.88 0.12 0.00 0.48 0.00 0.00 55.95 55.67 3ity s SER 184 Cb 0.00 0.16 -0.11 0.00 0.10 0.00 0.00 66.02 66.17 3ity s SER 184 CO 0.00 -0.50 0.55 0.59 0.98 0.00 0.00 173.24 174.86 3ity n ASN 185 N 0.44 0.71 -3.94 7.02 4.13 -1.26 -1.11 115.26 121.24 3ity n ASN 185 Ca -0.16 -0.86 -0.13 0.00 1.68 0.00 0.00 54.58 55.11 3ity n ASN 185 Cb 0.59 0.91 -0.13 0.00 -1.54 0.00 0.00 39.78 39.61 3ity n ASN 185 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 3ity s PHE 186 N -2.05 0.29 0.36 3.10 0.08 -1.26 -4.36 117.98 114.14 3ity s PHE 186 Ca 0.06 -0.18 -0.28 0.00 0.12 0.00 0.00 56.93 56.64 3ity s PHE 186 Cb 0.09 -0.19 -0.11 0.00 -0.57 0.00 0.00 43.02 42.25 3ity s PHE 186 CO 0.47 -0.04 1.50 -2.14 -0.10 0.00 0.00 175.22 174.90 3ity s PRO 187 N -0.50 4.12 0.00 0.24 0.02 -1.26 -1.92 135.00 135.71 3ity s PRO 187 Ca -0.03 2.56 0.00 0.00 0.02 0.00 0.00 61.00 63.55 3ity s PRO 187 Cb -0.04 -2.98 0.00 0.00 0.02 0.00 0.00 34.50 31.50 3ity s PRO 187 CO -0.00 -0.54 0.00 0.41 -0.33 0.00 0.00 177.00 176.54 3ity n GLY 188 N 0.81 2.95 0.34 0.52 0.00 -1.26 -4.86 105.19 103.68 3ity n GLY 188 Ca 0.02 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.08 3ity n GLY 188 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3ity h GLN 189 N 0.84 0.94 -6.54 1.61 4.15 -1.82 -3.42 115.11 110.87 3ity h GLN 189 Ca 0.00 -0.06 -0.65 0.00 0.77 0.00 0.00 58.65 58.72 3ity h GLN 189 Cb 0.00 -0.21 -0.25 0.00 0.21 0.00 0.00 27.48 27.23 3ity h GLN 189 CO 0.00 0.62 -0.86 -1.12 -1.93 0.00 0.00 178.83 175.54 3ity s SER 190 N -5.73 2.95 -0.41 -0.69 0.01 -1.26 -5.09 113.70 103.48 3ity s SER 190 Ca -0.12 -0.63 -0.18 0.00 1.31 0.00 0.00 55.95 56.33 3ity s SER 190 Cb 0.20 -0.23 0.01 0.00 0.21 0.00 0.00 66.02 66.21 3ity s SER 190 CO 0.80 0.19 0.52 0.21 0.41 0.00 0.00 173.24 175.36 3ity s ASN 191 N -1.52 6.26 0.20 2.44 3.84 -1.26 -4.96 114.94 119.95 3ity s ASN 191 Ca 0.11 -0.40 -0.16 0.00 0.21 0.00 0.00 52.86 52.62 3ity s ASN 191 Cb -0.10 -2.26 0.20 0.00 -0.55 0.00 0.00 41.25 38.54 3ity s ASN 191 CO 0.03 -0.61 1.61 -0.26 -2.79 0.00 0.00 177.10 175.08 3ity h PHE 192 N 8.70 -0.59 -0.17 0.43 0.04 -1.98 -1.09 116.94 122.28 3ity h PHE 192 Ca -0.27 0.06 -0.03 0.00 2.80 0.00 0.00 57.97 60.54 3ity h PHE 192 Cb 1.11 0.36 -0.01 0.00 2.20 0.00 0.00 35.95 39.61 3ity h PHE 192 CO 0.68 -0.33 -0.02 1.15 -0.60 0.00 0.00 178.31 179.19 3ity h THR 193 N -0.08 1.28 -0.68 -1.55 2.02 -1.99 -2.30 112.91 109.61 3ity h THR 193 Ca 0.28 -0.95 -0.03 0.00 0.77 0.00 0.00 66.41 66.48 3ity h THR 193 Cb 0.52 1.57 -0.03 0.00 -1.74 0.00 0.00 68.15 68.46 3ity h THR 193 CO -0.67 0.28 0.29 0.03 0.37 0.00 0.00 175.52 175.82 3ity h ARG 194 N 0.03 0.98 -0.65 6.66 3.08 -1.93 -0.66 114.38 121.90 3ity h ARG 194 Ca 0.04 -0.15 -0.08 0.00 0.07 0.00 0.00 59.98 59.87 3ity h ARG 194 Cb 0.44 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 3ity h ARG 194 CO 0.01 0.78 0.09 0.00 -1.07 0.00 0.00 179.97 179.79 3ity h ALA 195 N 1.35 0.86 -0.30 0.04 0.00 -1.17 -1.75 119.26 118.29 3ity h ALA 195 Ca 0.23 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 3ity h ALA 195 Cb 0.15 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3ity h ALA 195 CO -0.02 0.63 -0.33 0.35 0.00 0.00 0.00 179.25 179.88 3ity h PHE 196 N 0.99 0.77 -0.64 0.00 3.57 -0.95 -1.70 116.94 118.97 3ity h PHE 196 Ca 0.19 -0.20 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 3ity h PHE 196 Cb 0.45 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.99 3ity h PHE 196 CO 0.03 0.90 0.29 0.93 -2.23 0.00 0.00 178.31 178.24 3ity h GLU 197 N 0.56 0.94 -0.61 1.11 5.08 -0.88 -0.14 114.58 120.64 3ity h GLU 197 Ca 0.06 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 3ity h GLU 197 Cb 0.83 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.89 3ity h GLU 197 CO 0.07 0.76 0.26 0.00 -1.00 0.00 0.00 179.01 179.10 3ity h ARG 198 N 0.89 0.90 -0.16 2.33 3.08 -1.08 -1.36 114.38 118.98 3ity h ARG 198 Ca 0.22 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 3ity h ARG 198 Cb 0.14 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3ity h ARG 198 CO -0.02 0.75 0.09 -0.92 -1.07 0.00 0.00 179.97 178.80 3ity h TYR 199 N 0.84 0.22 -0.68 3.04 5.03 -0.88 -1.51 116.97 123.03 3ity h TYR 199 Ca 0.21 -0.00 0.02 0.00 2.58 0.00 0.00 58.73 61.53 3ity h TYR 199 Cb 0.17 -0.07 -0.04 0.00 1.55 0.00 0.00 36.73 38.34 3ity h TYR 199 CO 0.01 0.20 0.43 -0.07 -1.32 0.00 0.00 178.16 177.41 3ity h LEU 200 N 0.17 0.73 -0.62 2.82 3.38 -0.83 -0.20 115.31 120.75 3ity h LEU 200 Ca 0.06 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 3ity h LEU 200 Cb 0.06 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3ity h LEU 200 CO -0.01 0.51 0.21 -1.28 0.09 0.00 0.00 178.44 177.96 3ity h SER 201 N 0.86 0.89 -0.34 -0.43 0.87 -1.06 -1.23 113.55 113.12 3ity h SER 201 Ca 0.27 -0.20 -0.06 0.00 -1.23 0.00 0.00 61.79 60.57 3ity h SER 201 Cb -0.02 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.70 3ity h SER 201 CO -0.09 0.85 -0.03 0.00 -0.53 0.00 0.00 176.83 177.03 3ity h ALA 202 N 1.08 0.46 -0.10 6.23 0.00 -0.89 -2.84 119.26 123.20 3ity h ALA 202 Ca 0.20 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3ity h ALA 202 Cb 0.27 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3ity h ALA 202 CO -0.01 0.25 -0.11 0.52 0.00 0.00 0.00 179.25 179.89 3ity h MET 203 N 0.41 0.15 -0.24 0.00 2.07 -0.89 -1.13 114.93 115.30 3ity h MET 203 Ca 0.09 -0.03 -0.04 0.00 -2.07 0.00 0.00 59.70 57.65 3ity h MET 203 Cb 0.50 -0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 30.19 3ity h MET 203 CO 0.02 0.28 -0.03 0.00 1.07 0.00 0.00 176.91 178.25 3ity h ALA 204 N 1.74 1.52 -0.29 6.32 0.00 -0.99 0.13 119.26 127.68 3ity h ALA 204 Ca 0.03 -0.17 -0.18 0.00 0.00 0.00 0.00 54.91 54.59 3ity h ALA 204 Cb 0.30 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3ity h ALA 204 CO 0.02 0.35 -0.53 0.93 0.00 0.00 0.00 179.25 180.02 3ity h GLU 205 N 0.35 0.86 -0.58 0.00 5.08 -1.07 -2.59 114.58 116.63 3ity h GLU 205 Ca 0.08 -0.54 -0.10 0.00 -1.00 0.00 0.00 59.36 57.80 3ity h GLU 205 Cb 0.28 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 3ity h GLU 205 CO 0.01 1.17 -0.03 0.82 -1.00 0.00 0.00 179.01 179.98 3ity h ILE 206 N 0.67 1.27 -0.90 3.13 2.04 -0.97 -2.77 117.51 119.98 3ity h ILE 206 Ca 0.02 -1.18 0.06 0.00 1.00 0.00 0.00 64.86 64.76 3ity h ILE 206 Cb 1.13 0.85 -0.06 0.00 -0.74 0.00 0.00 36.82 38.00 3ity h ILE 206 CO 0.12 0.43 0.59 0.22 0.00 0.00 0.00 178.15 179.50 3ity h TYR 207 N 0.95 1.04 0.00 1.37 5.03 -0.67 -1.47 116.97 123.22 3ity h TYR 207 Ca 0.16 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.49 3ity h TYR 207 Cb 0.59 -0.34 -0.00 0.00 1.55 0.00 0.00 36.73 38.53 3ity h TYR 207 CO 0.04 0.56 -0.03 0.87 -1.32 0.00 0.00 178.16 178.28 3ity h LYS 208 N 1.03 0.00 -0.46 1.82 1.57 -1.16 -2.11 116.57 117.26 3ity h LYS 208 Ca 0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 3ity h LYS 208 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 3ity h LYS 208 CO -0.14 0.03 0.00 0.41 -0.57 0.00 0.00 179.45 179.18 3ity n GLY 209 N -1.09 1.24 3.70 3.86 0.00 -0.56 -4.92 105.19 107.42 3ity n GLY 209 Ca -0.03 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 3ity n GLY 209 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ity s LEU 210 N -1.06 4.27 1.11 0.99 1.43 -0.80 -5.00 118.68 119.63 3ity s LEU 210 Ca 0.33 1.27 -0.12 0.00 -1.03 0.00 0.00 54.13 54.58 3ity s LEU 210 Cb 0.17 -3.23 0.26 0.00 0.03 0.00 0.00 46.19 43.42 3ity s LEU 210 CO 0.23 -0.24 1.05 -2.84 0.23 0.00 0.00 176.35 174.78 3ity s PRO 211 N 1.33 -0.52 0.51 1.29 0.02 -1.26 -4.87 135.00 131.50 3ity s PRO 211 Ca 0.40 1.03 0.23 0.00 0.02 0.00 0.00 61.00 62.69 3ity s PRO 211 Cb -0.18 -1.59 1.37 0.00 0.02 0.00 0.00 34.50 34.13 3ity s PRO 211 CO 0.18 -3.51 2.09 -0.44 -0.33 0.00 0.00 177.00 174.99 3ity h ASP 212 N -2.48 0.00 -0.46 2.53 3.32 -2.00 -2.58 116.42 114.75 3ity h ASP 212 Ca -0.57 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.45 3ity h ASP 212 Cb 1.32 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.85 3ity h ASP 212 CO 0.48 0.11 0.02 -0.90 -1.72 0.00 0.00 179.24 177.23 3ity n ASP 213 N -3.95 4.88 -4.80 6.45 5.75 -1.26 -4.98 116.55 118.63 3ity n ASP 213 Ca -0.02 -3.02 -0.23 0.00 -0.01 0.00 0.00 54.79 51.51 3ity n ASP 213 Cb 0.20 -0.64 -0.05 0.00 -1.03 0.00 0.00 41.12 39.60 3ity n ASP 213 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 3ity s TRP 214 N -2.83 3.09 0.10 2.11 0.52 -0.97 -4.89 118.94 116.06 3ity s TRP 214 Ca 0.50 -0.10 0.08 0.00 0.02 0.00 0.00 56.10 56.60 3ity s TRP 214 Cb 0.39 -1.41 -0.04 0.00 -1.15 0.00 0.00 33.47 31.27 3ity s TRP 214 CO 0.13 0.53 -0.21 0.15 0.02 0.00 0.00 176.95 177.57 3ity s LYS 215 N -3.68 1.12 -0.22 4.98 1.02 -0.83 -4.84 119.74 117.31 3ity s LYS 215 Ca 0.32 -1.17 -0.01 0.00 0.02 0.00 0.00 55.97 55.13 3ity s LYS 215 Cb -0.08 -1.38 0.01 0.00 -0.52 0.00 0.00 37.83 35.86 3ity s LYS 215 CO 0.24 0.32 -0.10 -1.17 -0.92 0.00 0.00 175.35 173.72 3ity s LEU 216 N -1.92 2.74 -0.18 3.17 2.96 0.61 -1.64 118.68 124.42 3ity s LEU 216 Ca 0.06 -0.64 -0.05 0.00 -0.22 0.00 0.00 54.13 53.29 3ity s LEU 216 Cb -0.10 -1.63 -0.03 0.00 0.50 0.00 0.00 46.19 44.94 3ity s LEU 216 CO 0.04 -0.05 -0.00 -0.36 -1.32 0.00 0.00 176.35 174.66 3ity s PHE 217 N 1.36 3.07 -0.10 5.38 0.08 0.43 -1.33 117.98 126.87 3ity s PHE 217 Ca 0.04 -0.29 -0.03 0.00 0.12 0.00 0.00 56.93 56.76 3ity s PHE 217 Cb -0.15 -2.03 -0.04 0.00 -0.57 0.00 0.00 43.02 40.23 3ity s PHE 217 CO -0.07 -0.08 0.04 -1.54 -0.10 0.00 0.00 175.22 173.47 3ity s SER 218 N 0.63 5.52 -0.17 1.36 1.04 -0.94 0.28 113.70 121.42 3ity s SER 218 Ca -0.01 0.21 0.01 0.00 0.48 0.00 0.00 55.95 56.64 3ity s SER 218 Cb -0.14 -1.65 0.02 0.00 0.10 0.00 0.00 66.02 64.35 3ity s SER 218 CO 0.02 0.37 -0.18 -0.70 0.98 0.00 0.00 173.24 173.72 3ity s GLU 219 N -0.80 2.79 0.47 4.02 2.12 -0.94 -1.79 118.70 124.57 3ity s GLU 219 Ca 0.13 -0.75 -0.12 0.00 0.36 0.00 0.00 54.97 54.59 3ity s GLU 219 Cb -0.12 -2.42 -0.06 0.00 0.26 0.00 0.00 34.13 31.79 3ity s GLU 219 CO 0.03 -0.20 0.86 -3.38 -0.54 0.00 0.00 175.26 172.03 3ity s HIS 220 N 1.31 3.50 -0.23 5.30 -3.43 -1.26 -4.71 115.29 115.76 3ity s HIS 220 Ca 0.04 1.17 -0.12 0.00 -0.80 0.00 0.00 55.06 55.34 3ity s HIS 220 Cb -0.13 -2.56 0.08 0.00 -1.43 0.00 0.00 32.58 28.54 3ity s HIS 220 CO -0.11 -0.27 0.56 0.21 -2.00 0.00 0.00 174.74 173.12 3ity s LYS 221 N -4.19 0.54 0.17 -0.38 2.20 -0.09 -4.75 119.74 113.25 3ity s LYS 221 Ca 0.53 1.07 -0.14 0.00 -0.36 0.00 0.00 55.97 57.08 3ity s LYS 221 Cb -0.10 0.16 0.07 0.00 -1.51 0.00 0.00 37.83 36.45 3ity s LYS 221 CO 0.36 -0.17 1.82 1.98 -0.36 0.00 0.00 175.35 178.98 3ity h MET 222 N 7.24 0.74 -2.79 4.03 1.85 -1.14 -3.34 114.93 121.52 3ity h MET 222 Ca -0.30 -0.06 0.08 0.00 -0.61 0.00 0.00 59.70 58.81 3ity h MET 222 Cb 1.19 -0.16 -0.08 0.00 0.43 0.00 0.00 31.60 32.98 3ity h MET 222 CO 0.20 0.53 0.30 1.52 -0.40 0.00 0.00 176.91 179.06 3ity s TYR 223 N -6.03 -0.25 0.02 1.39 1.13 -1.26 -4.48 117.35 107.86 3ity s TYR 223 Ca -0.13 -0.10 0.00 0.00 -1.41 0.00 0.00 57.07 55.43 3ity s TYR 223 Cb 0.12 0.65 0.00 0.00 -1.10 0.00 0.00 41.96 41.64 3ity s TYR 223 CO 0.75 -1.02 0.00 -1.91 -2.51 0.00 0.00 175.55 170.86 3ity n GLU 224 N -0.43 -0.53 0.11 -3.49 2.13 -1.26 -4.81 120.64 112.36 3ity n GLU 224 Ca -0.07 0.83 0.11 0.00 0.66 0.00 0.00 57.16 58.69 3ity n GLU 224 Cb 0.61 -0.51 0.47 0.00 0.27 0.00 0.00 31.44 32.27 3ity n GLU 224 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 3ity n PRO 225 N 0.18 0.16 -2.99 5.31 -0.04 -1.26 -4.97 135.00 131.39 3ity n PRO 225 Ca 0.00 0.42 -0.40 0.00 -0.04 0.00 0.00 63.50 63.48 3ity n PRO 225 Cb 0.00 -1.82 -0.04 0.00 -0.04 0.00 0.00 33.50 31.59 3ity n PRO 225 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ity s ALA 226 N -3.29 3.32 -1.46 0.55 0.00 -1.26 -4.97 121.76 114.65 3ity s ALA 226 Ca 0.04 0.18 0.16 0.00 0.00 0.00 0.00 51.96 52.34 3ity s ALA 226 Cb 0.09 -3.02 0.44 0.00 0.00 0.00 0.00 23.12 20.63 3ity s ALA 226 CO 0.35 -0.16 1.36 1.19 0.00 0.00 0.00 175.76 178.51 3ity n PHE 227 N 3.89 0.66 0.03 0.00 3.72 -1.21 -4.56 117.46 119.99 3ity n PHE 227 Ca 0.00 -0.47 0.00 0.00 -0.05 0.00 0.00 57.45 56.93 3ity n PHE 227 Cb 0.51 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 3ity n PHE 227 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 3ity n TYR 228 N 1.04 -0.25 -3.97 1.38 9.36 -0.27 -4.92 117.16 119.52 3ity n TYR 228 Ca 0.17 0.04 -0.09 0.00 3.32 0.00 0.00 57.90 61.35 3ity n TYR 228 Cb 0.51 0.13 -0.10 0.00 -0.63 0.00 0.00 39.34 39.25 3ity n TYR 228 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 3ity s SER 229 N -5.29 0.24 -0.03 2.98 1.04 -0.52 -4.98 113.70 107.14 3ity s SER 229 Ca 0.00 -0.57 0.02 0.00 0.48 0.00 0.00 55.95 55.88 3ity s SER 229 Cb 0.00 0.17 0.01 0.00 0.10 0.00 0.00 66.02 66.30 3ity s SER 229 CO 0.00 -0.43 -0.08 -0.89 0.98 0.00 0.00 173.24 172.81 3ity s THR 230 N -2.30 0.75 0.12 2.02 2.01 -1.26 -0.44 115.64 116.54 3ity s THR 230 Ca -0.08 -0.31 -0.26 0.00 0.31 0.00 0.00 61.69 61.35 3ity s THR 230 Cb -0.03 -0.70 -0.07 0.00 0.01 0.00 0.00 72.50 71.71 3ity s THR 230 CO -0.04 0.25 1.65 0.58 -0.69 0.00 0.00 174.62 176.37 3ity h VAL 231 N 5.65 0.48 -3.02 3.82 2.07 -1.69 -2.94 116.25 120.61 3ity h VAL 231 Ca -0.34 0.00 -0.80 0.00 0.82 0.00 0.00 66.70 66.38 3ity h VAL 231 Cb 1.17 0.48 -0.29 0.00 -1.52 0.00 0.00 31.29 31.13 3ity h VAL 231 CO 0.48 0.00 0.64 0.52 0.02 0.00 0.00 177.57 179.23 3ity n VAL 232 N -5.35 5.00 0.08 2.57 0.31 -1.26 -4.83 118.33 114.84 3ity n VAL 232 Ca -0.06 -5.78 -0.08 0.00 -0.01 0.00 0.00 64.34 58.41 3ity n VAL 232 Cb 0.27 -2.19 -0.09 0.00 -0.91 0.00 0.00 33.84 30.92 3ity n VAL 232 CO 0.00 0.00 0.00 0.06 -1.32 0.00 0.00 176.83 175.57 3ity h GLN 233 N 5.63 0.06 -4.01 5.55 -0.00 -1.64 -0.21 115.11 120.50 3ity h GLN 233 Ca 0.19 -0.10 -0.26 0.00 -0.00 0.00 0.00 58.65 58.49 3ity h GLN 233 Cb 0.67 0.03 -0.07 0.00 -0.00 0.00 0.00 27.48 28.12 3ity h GLN 233 CO 1.24 1.00 -0.13 0.16 -0.00 0.00 0.00 178.83 181.10 3ity s ASP 234 N -6.81 0.90 0.53 0.06 1.47 -1.26 -2.21 116.67 109.35 3ity s ASP 234 Ca -0.00 -1.49 0.27 0.00 1.18 0.00 0.00 52.55 52.51 3ity s ASP 234 Cb 0.10 0.70 1.47 0.00 -0.34 0.00 0.00 42.92 44.85 3ity s ASP 234 CO 0.83 -1.37 2.09 4.11 0.68 0.00 0.00 175.17 181.50 3ity h TRP 235 N 2.07 0.00 0.19 2.11 5.08 -1.95 -0.46 115.95 122.99 3ity h TRP 235 Ca -0.29 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.67 3ity h TRP 235 Cb 1.24 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.40 3ity h TRP 235 CO 1.58 0.11 -0.09 0.78 -1.28 0.00 0.00 178.44 179.54 3ity h GLY 236 N 0.76 -0.26 1.06 11.11 0.00 -1.99 0.30 103.07 114.04 3ity h GLY 236 Ca -0.00 0.10 -0.06 0.00 0.00 0.00 0.00 47.33 47.37 3ity h GLY 236 CO 0.01 -0.10 0.26 -0.84 0.00 0.00 0.00 176.54 175.88 3ity h THR 237 N -0.47 1.26 -0.67 4.70 2.02 -1.86 -2.01 112.91 115.87 3ity h THR 237 Ca -0.03 -0.90 0.03 0.00 0.77 0.00 0.00 66.41 66.29 3ity h THR 237 Cb 0.36 0.40 -0.04 0.00 -1.74 0.00 0.00 68.15 67.13 3ity h THR 237 CO 0.04 0.36 0.42 -1.13 0.37 0.00 0.00 175.52 175.58 3ity h ASN 238 N 1.13 0.69 -0.54 4.18 -0.73 -0.90 -1.11 115.58 118.30 3ity h ASN 238 Ca 0.25 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.42 3ity h ASN 238 Cb 0.29 -0.15 -0.03 0.00 0.27 0.00 0.00 38.32 38.70 3ity h ASN 238 CO -0.01 0.48 0.32 0.22 -0.37 0.00 0.00 177.43 178.07 3ity h TYR 239 N 0.82 0.71 -0.81 0.67 3.20 0.12 -1.39 116.97 120.30 3ity h TYR 239 Ca 0.27 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.18 3ity h TYR 239 Cb 0.02 -0.23 -0.05 0.00 1.54 0.00 0.00 36.73 38.01 3ity h TYR 239 CO -0.05 0.49 0.53 -0.07 -1.64 0.00 0.00 178.16 177.43 3ity h LEU 240 N 0.73 0.84 0.53 2.82 3.38 -0.67 0.02 115.31 122.95 3ity h LEU 240 Ca 0.19 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 3ity h LEU 240 Cb -0.01 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 40.56 3ity h LEU 240 CO -0.04 0.56 -0.25 0.40 0.09 0.00 0.00 178.44 179.20 3ity h ILE 241 N 0.96 0.40 -0.73 1.22 2.04 -0.51 -1.47 117.51 119.42 3ity h ILE 241 Ca 0.33 -0.31 0.07 0.00 1.00 0.00 0.00 64.86 65.95 3ity h ILE 241 Cb 0.10 0.51 -0.06 0.00 -0.74 0.00 0.00 36.82 36.63 3ity h ILE 241 CO -0.10 0.04 0.42 0.00 0.00 0.00 0.00 178.15 178.51 3ity h ALA 242 N -0.59 1.00 -0.44 1.87 0.00 -0.95 0.28 119.26 120.43 3ity h ALA 242 Ca -0.07 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 3ity h ALA 242 Cb 0.62 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3ity h ALA 242 CO 0.12 0.09 -0.09 0.37 0.00 0.00 0.00 179.25 179.74 3ity h GLN 243 N 0.75 0.78 -0.09 0.00 5.75 -1.02 -2.71 115.11 118.56 3ity h GLN 243 Ca 0.33 -0.25 -0.09 0.00 -0.15 0.00 0.00 58.65 58.49 3ity h GLN 243 Cb 0.23 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.71 3ity h GLN 243 CO -0.20 0.85 -0.30 1.15 -2.65 0.00 0.00 178.83 177.68 3ity h THR 244 N 0.71 1.40 -0.05 2.39 2.02 -0.48 -3.35 112.91 115.55 3ity h THR 244 Ca 0.12 -1.66 -0.01 0.00 0.77 0.00 0.00 66.41 65.64 3ity h THR 244 Cb 0.57 2.22 -0.00 0.00 -1.74 0.00 0.00 68.15 69.20 3ity h THR 244 CO 0.04 0.48 0.01 -0.07 0.37 0.00 0.00 175.52 176.34 3ity h LEU 245 N -0.09 0.08 0.00 2.58 3.38 -0.98 -3.50 115.31 116.78 3ity h LEU 245 Ca -0.01 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3ity h LEU 245 Cb 0.93 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.66 3ity h LEU 245 CO 0.06 0.32 0.00 0.61 0.09 0.00 0.00 178.44 179.52 3ity n GLY 246 N -0.41 0.66 0.40 0.83 0.00 -1.03 -4.93 105.19 100.71 3ity n GLY 246 Ca -0.07 -1.70 0.20 0.00 0.00 0.00 0.00 46.02 44.45 3ity n GLY 246 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ity h PRO 247 N 0.00 0.23 -0.01 1.61 0.11 -1.91 -0.70 132.00 131.33 3ity h PRO 247 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3ity h PRO 247 Cb 0.00 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.06 3ity h PRO 247 CO 0.00 0.15 -0.07 1.63 -0.21 0.00 0.00 178.00 179.50 3ity n LYS 248 N -4.42 1.02 -3.78 1.05 5.02 -1.26 -4.80 118.16 110.99 3ity n LYS 248 Ca 0.15 -0.40 -0.36 0.00 -2.02 0.00 0.00 58.31 55.68 3ity n LYS 248 Cb 0.66 -1.49 -0.10 0.00 -0.02 0.00 0.00 35.03 34.08 3ity n LYS 248 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ity s ALA 249 N -2.25 3.44 0.29 7.82 0.00 -0.27 -0.28 121.76 130.51 3ity s ALA 249 Ca 0.35 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 51.42 3ity s ALA 249 Cb 0.21 -2.16 -0.04 0.00 0.00 0.00 0.00 23.12 21.12 3ity s ALA 249 CO 0.42 -0.18 0.14 -0.65 0.00 0.00 0.00 175.76 175.48 3ity s GLN 250 N 1.04 1.52 -0.09 0.00 -0.21 -0.44 -4.71 119.66 116.77 3ity s GLN 250 Ca 0.06 -1.85 -0.03 0.00 0.02 0.00 0.00 55.36 53.55 3ity s GLN 250 Cb -0.14 -0.15 -0.04 0.00 1.00 0.00 0.00 33.01 33.68 3ity s GLN 250 CO 0.04 -0.39 0.04 0.00 -2.12 0.00 0.00 175.29 172.85 3ity s LEU 252 N -0.95 3.62 -0.31 0.00 1.43 -0.74 0.69 118.68 122.42 3ity s LEU 252 Ca 0.14 0.10 -0.04 0.00 -1.03 0.00 0.00 54.13 53.30 3ity s LEU 252 Cb -0.12 -1.86 0.04 0.00 0.03 0.00 0.00 46.19 44.28 3ity s LEU 252 CO 0.03 0.30 0.04 -0.69 0.23 0.00 0.00 176.35 176.26 3ity s VAL 253 N -0.40 3.41 -0.27 -1.59 1.01 -0.72 -4.08 120.40 117.76 3ity s VAL 253 Ca 0.08 -1.14 -0.13 0.00 0.00 0.00 0.00 61.98 60.79 3ity s VAL 253 Cb -0.12 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 3ity s VAL 253 CO 0.02 -0.07 0.26 -0.62 0.00 0.00 0.00 175.10 174.70 3ity s ASP 254 N 1.35 6.13 0.22 3.32 -1.08 -1.26 -0.32 116.67 125.03 3ity s ASP 254 Ca -0.02 0.13 -0.18 0.00 -0.52 0.00 0.00 52.55 51.96 3ity s ASP 254 Cb -0.19 -2.16 0.21 0.00 -1.46 0.00 0.00 42.92 39.32 3ity s ASP 254 CO 0.00 -0.09 1.57 0.25 0.52 0.00 0.00 175.17 177.42 3ity h LEU 255 N 8.34 -1.27 -0.16 -1.34 7.12 -1.74 -1.47 115.31 124.79 3ity h LEU 255 Ca -0.34 0.27 0.00 0.00 0.13 0.00 0.00 57.88 57.94 3ity h LEU 255 Cb 1.18 0.67 0.00 0.00 -0.53 0.00 0.00 40.66 41.97 3ity h LEU 255 CO 0.60 -0.29 0.00 0.61 -0.13 0.00 0.00 178.44 179.23 3ity n GLY 256 N -1.47 -0.72 1.82 3.75 0.00 -1.26 -4.09 105.19 103.22 3ity n GLY 256 Ca 0.08 -0.03 -0.06 0.00 0.00 0.00 0.00 46.02 46.01 3ity n GLY 256 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ity n HIS 257 N -0.39 2.10 -4.48 1.61 8.25 -0.55 -3.13 115.22 118.63 3ity n HIS 257 Ca 0.01 -1.06 -0.25 0.00 -0.26 0.00 0.00 57.72 56.16 3ity n HIS 257 Cb 0.04 -0.62 -0.10 0.00 1.12 0.00 0.00 29.99 30.43 3ity n HIS 257 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3ity s HIS 258 N -2.58 2.37 0.72 4.41 3.76 -1.26 -2.51 115.29 120.20 3ity s HIS 258 Ca 0.46 -0.40 -0.14 0.00 -0.15 0.00 0.00 55.06 54.83 3ity s HIS 258 Cb 0.37 -1.20 0.04 0.00 1.11 0.00 0.00 32.58 32.90 3ity s HIS 258 CO 0.11 0.64 1.15 0.00 -0.85 0.00 0.00 174.74 175.80 3ity s ALA 259 N -2.54 2.21 0.29 -1.40 0.00 -1.26 -4.91 121.76 114.14 3ity s ALA 259 Ca 0.31 0.66 -0.29 0.00 0.00 0.00 0.00 51.96 52.65 3ity s ALA 259 Cb -0.02 -3.39 -0.13 0.00 0.00 0.00 0.00 23.12 19.58 3ity s ALA 259 CO 0.16 -1.72 1.19 -2.30 0.00 0.00 0.00 175.76 173.10 3ity n PRO 260 N -2.82 1.71 -0.94 0.00 -0.02 -1.26 -2.13 135.00 129.55 3ity n PRO 260 Ca 0.12 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 3ity n PRO 260 Cb 0.51 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 3ity n PRO 260 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3ity n ASN 261 N 1.32 -3.65 -4.75 2.55 3.02 -1.26 -4.99 115.26 107.51 3ity n ASN 261 Ca 0.09 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.24 3ity n ASN 261 Cb 0.32 -2.02 0.03 0.00 -0.61 0.00 0.00 39.78 37.50 3ity n ASN 261 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3ity n THR 262 N -2.34 3.19 -2.97 3.41 -1.04 -0.91 -4.91 114.28 108.71 3ity n THR 262 Ca 0.00 -0.50 -0.44 0.00 -2.04 0.00 0.00 64.05 61.07 3ity n THR 262 Cb 0.22 -1.75 -0.03 0.00 -1.82 0.00 0.00 70.33 66.95 3ity n THR 262 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 3ity s ASN 263 N -0.65 6.57 0.16 8.00 3.84 -1.26 -4.86 114.94 126.74 3ity s ASN 263 Ca 0.65 -1.97 -0.11 0.00 0.21 0.00 0.00 52.86 51.65 3ity s ASN 263 Cb -0.44 -2.38 0.03 0.00 -0.55 0.00 0.00 41.25 37.91 3ity s ASN 263 CO 0.54 -1.05 1.60 0.40 -2.79 0.00 0.00 177.10 175.80 3ity h ILE 264 N 5.75 1.27 0.00 -5.21 2.04 -1.98 -2.97 117.51 116.40 3ity h ILE 264 Ca 0.08 -1.18 -0.01 0.00 1.00 0.00 0.00 64.86 64.75 3ity h ILE 264 Cb 1.03 0.96 -0.00 0.00 -0.74 0.00 0.00 36.82 38.07 3ity h ILE 264 CO 1.08 0.42 -0.02 1.05 0.00 0.00 0.00 178.15 180.67 3ity h GLU 265 N 0.84 0.00 -0.38 2.37 9.09 -1.91 -1.41 114.58 123.19 3ity h GLU 265 Ca 0.14 0.00 -0.14 0.00 0.05 0.00 0.00 59.36 59.41 3ity h GLU 265 Cb 0.60 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.70 3ity h GLU 265 CO 0.04 0.02 -0.31 1.98 0.05 0.00 0.00 179.01 180.79 3ity h MET 266 N 0.00 0.88 -0.74 1.06 4.05 -1.92 -2.09 114.93 116.18 3ity h MET 266 Ca -0.00 -0.44 0.05 0.00 -0.28 0.00 0.00 59.70 59.02 3ity h MET 266 Cb 0.05 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 30.80 3ity h MET 266 CO 0.00 1.09 0.45 0.82 0.23 0.00 0.00 176.91 179.51 3ity h ILE 267 N 0.69 1.05 -0.16 1.77 2.04 -1.25 0.11 117.51 121.76 3ity h ILE 267 Ca 0.07 -0.29 0.02 0.00 1.00 0.00 0.00 64.86 65.66 3ity h ILE 267 Cb 0.90 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 3ity h ILE 267 CO 0.08 0.16 0.01 0.58 0.00 0.00 0.00 178.15 178.98 3ity h VAL 268 N 0.86 0.90 -0.70 1.67 2.07 -1.19 -0.89 116.25 118.96 3ity h VAL 268 Ca 0.31 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.81 3ity h VAL 268 Cb 0.10 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 3ity h VAL 268 CO -0.14 0.01 0.46 0.00 0.02 0.00 0.00 177.57 177.91 3ity h ALA 269 N 1.13 0.89 -0.36 1.67 0.00 -0.64 -1.43 119.26 120.52 3ity h ALA 269 Ca 0.07 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3ity h ALA 269 Cb 0.08 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3ity h ALA 269 CO -0.12 0.33 0.20 0.00 0.00 0.00 0.00 179.25 179.66 3ity h ARG 270 N 0.96 0.51 -0.49 0.00 2.47 -0.38 -0.37 114.38 117.09 3ity h ARG 270 Ca 0.26 -0.06 -0.05 0.00 -1.26 0.00 0.00 59.98 58.87 3ity h ARG 270 Cb -0.09 -0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.11 3ity h ARG 270 CO -0.05 0.42 0.10 -0.07 0.56 0.00 0.00 179.97 180.93 3ity h LEU 271 N 0.46 0.69 -0.24 3.04 3.38 -0.91 -2.33 115.31 119.41 3ity h LEU 271 Ca 0.13 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 3ity h LEU 271 Cb 0.06 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3ity h LEU 271 CO -0.02 0.70 0.00 0.40 0.09 0.00 0.00 178.44 179.61 3ity h ILE 272 N 0.72 1.25 -0.81 1.22 2.04 -0.90 0.18 117.51 121.21 3ity h ILE 272 Ca 0.16 -0.88 0.12 0.00 1.00 0.00 0.00 64.86 65.26 3ity h ILE 272 Cb 0.29 1.36 -0.06 0.00 -0.74 0.00 0.00 36.82 37.67 3ity h ILE 272 CO 0.00 0.28 0.53 -0.61 0.00 0.00 0.00 178.15 178.35 3ity h GLN 273 N 0.20 0.63 -0.54 2.37 4.15 -0.72 -1.38 115.11 119.83 3ity h GLN 273 Ca 0.07 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.45 3ity h GLN 273 Cb 0.40 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.95 3ity h GLN 273 CO 0.01 0.42 0.00 1.19 -1.93 0.00 0.00 178.83 178.52 3ity n PHE 274 N -4.52 1.65 -2.26 3.99 3.72 -0.91 -4.96 117.46 114.17 3ity n PHE 274 Ca 0.15 -0.71 -0.20 0.00 -0.05 0.00 0.00 57.45 56.63 3ity n PHE 274 Cb 0.41 -0.38 -0.02 0.00 -0.94 0.00 0.00 39.48 38.55 3ity n PHE 274 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ity n GLY 275 N 0.57 -0.07 0.32 1.37 0.00 -0.52 -4.90 105.19 101.96 3ity n GLY 275 Ca 0.26 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.36 3ity n GLY 275 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ity n LYS 276 N -2.89 1.55 -2.83 1.61 4.76 0.54 -4.93 118.16 115.97 3ity n LYS 276 Ca -0.24 -2.79 -0.43 0.00 -2.87 0.00 0.00 58.31 51.99 3ity n LYS 276 Cb 0.68 -1.58 -0.03 0.00 -1.84 0.00 0.00 35.03 32.26 3ity n LYS 276 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3ity s LEU 277 N -2.96 4.36 0.17 -0.35 2.96 -1.18 -0.38 118.68 121.29 3ity s LEU 277 Ca 0.35 -1.17 -0.06 0.00 -0.22 0.00 0.00 54.13 53.03 3ity s LEU 277 Cb 0.31 -2.43 0.04 0.00 0.50 0.00 0.00 46.19 44.61 3ity s LEU 277 CO 0.01 -1.41 1.47 1.23 -1.32 0.00 0.00 176.35 176.34 3ity h GLY 278 N 11.40 0.73 0.00 7.98 0.00 -0.02 -3.44 103.07 119.72 3ity h GLY 278 Ca -0.18 -0.85 0.00 0.00 0.00 0.00 0.00 47.33 46.30 3ity h GLY 278 CO 1.19 0.77 0.00 0.61 0.00 0.00 0.00 176.54 179.11 3ity n GLY 279 N 0.29 0.05 3.21 4.60 0.00 -1.14 -0.42 105.19 111.79 3ity n GLY 279 Ca -0.04 -1.04 -0.30 0.00 0.00 0.00 0.00 46.02 44.65 3ity n GLY 279 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3ity s PHE 280 N -2.00 2.23 -0.34 1.61 2.19 -1.26 -1.75 117.98 118.67 3ity s PHE 280 Ca 0.00 -0.74 -0.10 0.00 0.33 0.00 0.00 56.93 56.42 3ity s PHE 280 Cb 0.00 -1.49 0.01 0.00 -1.31 0.00 0.00 43.02 40.24 3ity s PHE 280 CO 0.00 -0.26 0.17 -1.01 1.83 0.00 0.00 175.22 175.95 3ity s HIS 281 N 0.08 3.21 0.28 10.12 3.76 0.56 -2.26 115.29 131.04 3ity s HIS 281 Ca -0.09 -0.83 -0.23 0.00 -0.15 0.00 0.00 55.06 53.77 3ity s HIS 281 Cb -0.15 -2.38 -0.09 0.00 1.11 0.00 0.00 32.58 31.07 3ity s HIS 281 CO 0.05 -0.57 0.86 -0.06 -0.85 0.00 0.00 174.74 174.17 3ity s PHE 282 N 1.57 3.67 -1.77 1.40 0.08 0.19 -2.11 117.98 121.00 3ity s PHE 282 Ca 0.03 1.62 0.00 0.00 0.12 0.00 0.00 56.93 58.70 3ity s PHE 282 Cb -0.18 -2.80 0.00 0.00 -0.57 0.00 0.00 43.02 39.47 3ity s PHE 282 CO 0.06 0.26 0.00 0.27 -0.10 0.00 0.00 175.22 175.71 3ity n ASN 283 N 0.61 0.00 -4.28 1.36 0.23 -1.26 -1.29 115.26 110.62 3ity n ASN 283 Ca 0.00 0.00 -0.15 0.00 -0.53 0.00 0.00 54.58 53.90 3ity n ASN 283 Cb 0.51 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.10 3ity n ASN 283 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3ity s ASP 284 N -0.32 1.24 0.16 0.53 -1.08 0.32 -4.53 116.67 113.00 3ity s ASP 284 Ca 0.00 -1.28 -0.23 0.00 -0.52 0.00 0.00 52.55 50.52 3ity s ASP 284 Cb 0.00 0.13 0.06 0.00 -1.46 0.00 0.00 42.92 41.66 3ity s ASP 284 CO 0.00 -0.64 0.66 -0.94 0.52 0.00 0.00 175.17 174.77 3ity s SER 285 N -3.25 -0.48 0.00 -0.34 1.04 -1.26 -1.31 113.70 108.10 3ity s SER 285 Ca 0.31 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.62 3ity s SER 285 Cb 0.07 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.79 3ity s SER 285 CO 0.09 -1.00 0.00 1.17 0.98 0.00 0.00 173.24 174.48 3ity n LYS 286 N -0.38 1.89 -0.04 4.02 4.81 -1.26 -4.76 118.16 122.44 3ity n LYS 286 Ca -0.13 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.23 3ity n LYS 286 Cb 0.63 -0.80 -0.03 0.00 0.02 0.00 0.00 35.03 34.85 3ity n LYS 286 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3ity n TYR 287 N -1.55 0.00 0.00 5.64 4.01 -1.26 -5.09 117.16 118.91 3ity n TYR 287 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3ity n TYR 287 Cb 0.30 -0.30 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 3ity n TYR 287 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ity n GLY 288 N 2.69 3.89 2.75 2.72 0.00 -1.26 -4.90 105.19 111.07 3ity n GLY 288 Ca -0.15 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 3ity n GLY 288 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ity n ASP 289 N 0.00 5.47 0.24 1.61 2.03 -1.18 -4.68 116.55 120.04 3ity n ASP 289 Ca 0.00 -3.03 0.11 0.00 0.52 0.00 0.00 54.79 52.39 3ity n ASP 289 Cb 0.00 -1.50 0.58 0.00 -0.72 0.00 0.00 41.12 39.48 3ity n ASP 289 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 3ity h ASP 290 N 5.58 0.00 -6.18 1.67 3.32 -1.82 -3.47 116.42 115.52 3ity h ASP 290 Ca 0.50 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 57.10 3ity h ASP 290 Cb 0.56 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.12 3ity h ASP 290 CO 1.67 0.19 -0.75 0.47 -1.72 0.00 0.00 179.24 179.10 3ity n ASP 291 N -3.52 -4.69 -4.91 6.45 8.00 -1.24 -4.74 116.55 111.90 3ity n ASP 291 Ca -0.01 -0.73 -0.28 0.00 0.71 0.00 0.00 54.79 54.48 3ity n ASP 291 Cb 0.34 -4.15 0.06 0.00 -0.02 0.00 0.00 41.12 37.36 3ity n ASP 291 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3ity s LEU 292 N -7.21 2.82 0.17 0.64 1.43 -0.43 -1.05 118.68 115.05 3ity s LEU 292 Ca 0.57 0.73 -0.34 0.00 -1.03 0.00 0.00 54.13 54.06 3ity s LEU 292 Cb -0.28 -3.39 -0.14 0.00 0.03 0.00 0.00 46.19 42.41 3ity s LEU 292 CO 0.81 -1.54 1.51 0.47 0.23 0.00 0.00 176.35 177.84 3ity n ASP 293 N -2.99 2.86 -4.62 2.29 9.92 -1.26 -0.52 116.55 122.22 3ity n ASP 293 Ca 0.07 1.10 -0.48 0.00 -0.53 0.00 0.00 54.79 54.95 3ity n ASP 293 Cb 0.59 -1.40 -0.04 0.00 -0.64 0.00 0.00 41.12 39.63 3ity n ASP 293 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3ity n ALA 294 N 3.01 0.09 -0.88 2.24 0.00 -1.26 -1.72 120.51 121.99 3ity n ALA 294 Ca 0.16 0.47 0.00 0.00 0.00 0.00 0.00 53.44 54.07 3ity n ALA 294 Cb 0.28 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.56 3ity n ALA 294 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ity n GLY 295 N 2.57 0.61 0.24 0.00 0.00 -1.26 -4.76 105.19 102.58 3ity n GLY 295 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.31 3ity n GLY 295 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ity h ALA 296 N 0.00 0.98 0.00 4.61 0.00 -1.70 -3.29 119.26 119.86 3ity h ALA 296 Ca 0.00 -0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.64 3ity h ALA 296 Cb 0.07 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3ity h ALA 296 CO 0.00 0.09 -1.68 -0.89 0.00 0.00 0.00 179.25 176.77 3ity n ILE 297 N -3.15 0.67 -3.58 0.00 2.08 -1.26 -4.91 119.36 109.20 3ity n ILE 297 Ca 0.02 -0.18 -0.27 0.00 0.56 0.00 0.00 62.75 62.88 3ity n ILE 297 Cb 0.44 -1.61 -0.11 0.00 -0.75 0.00 0.00 39.64 37.61 3ity n ILE 297 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3ity n GLU 298 N -3.50 0.96 0.20 0.38 1.02 -1.26 -4.97 120.64 113.47 3ity n GLU 298 Ca -0.24 -3.76 0.06 0.00 -0.02 0.00 0.00 57.16 53.20 3ity n GLU 298 Cb 0.67 -1.91 0.52 0.00 -0.02 0.00 0.00 31.44 30.70 3ity n GLU 298 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3ity h PRO 299 N 5.38 0.09 -0.49 3.49 0.13 -1.91 -2.64 132.00 136.05 3ity h PRO 299 Ca 0.21 -0.01 -0.13 0.00 -0.87 0.00 0.00 66.00 65.20 3ity h PRO 299 Cb 0.84 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.93 3ity h PRO 299 CO 0.53 0.17 -0.20 -0.92 -0.23 0.00 0.00 178.00 177.35 3ity h TYR 300 N 0.09 1.15 -0.96 1.56 3.20 -1.93 -1.74 116.97 118.35 3ity h TYR 300 Ca 0.02 -0.27 0.00 0.00 3.14 0.00 0.00 58.73 61.62 3ity h TYR 300 Cb 0.19 -0.27 -0.05 0.00 1.54 0.00 0.00 36.73 38.14 3ity h TYR 300 CO 0.00 1.11 0.61 -0.09 -1.64 0.00 0.00 178.16 178.15 3ity h ARG 301 N 0.87 1.28 -0.64 1.82 2.43 -1.90 0.11 114.38 118.35 3ity h ARG 301 Ca 0.11 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 3ity h ARG 301 Cb 0.78 -0.28 -0.03 0.00 -0.42 0.00 0.00 29.97 30.02 3ity h ARG 301 CO 0.07 0.87 0.34 1.25 -1.51 0.00 0.00 179.97 180.99 3ity h LEU 302 N 1.31 0.81 -0.50 3.80 5.85 -1.26 -1.37 115.31 123.94 3ity h LEU 302 Ca 0.35 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.96 3ity h LEU 302 Cb -0.11 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.69 3ity h LEU 302 CO -0.07 0.68 0.27 0.15 -0.34 0.00 0.00 178.44 179.13 3ity h PHE 303 N 0.88 0.69 -0.25 1.25 3.57 -0.44 -2.08 116.94 120.55 3ity h PHE 303 Ca 0.22 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.69 3ity h PHE 303 Cb 0.05 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 3ity h PHE 303 CO -0.01 0.52 0.07 -0.07 -2.23 0.00 0.00 178.31 176.59 3ity h LEU 304 N 0.67 0.32 -0.28 0.59 3.38 -0.27 0.16 115.31 119.88 3ity h LEU 304 Ca 0.18 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 3ity h LEU 304 Cb 0.06 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3ity h LEU 304 CO -0.03 0.33 -0.14 0.58 0.09 0.00 0.00 178.44 179.28 3ity h VAL 305 N 0.36 1.30 0.00 1.22 2.07 -0.91 -2.78 116.25 117.51 3ity h VAL 305 Ca 0.09 -1.23 -0.03 0.00 0.82 0.00 0.00 66.70 66.35 3ity h VAL 305 Cb 0.13 1.50 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 3ity h VAL 305 CO -0.00 0.39 -0.15 -0.26 0.02 0.00 0.00 177.57 177.56 3ity h PHE 306 N 0.33 0.00 -0.45 1.57 0.04 -0.62 -1.82 116.94 115.99 3ity h PHE 306 Ca 0.06 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.75 3ity h PHE 306 Cb 0.65 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.78 3ity h PHE 306 CO 0.06 0.15 -0.07 -0.97 -0.60 0.00 0.00 178.31 176.88 3ity h ASN 307 N 0.00 0.77 -0.15 2.17 -1.24 -0.44 0.36 115.58 117.04 3ity h ASN 307 Ca -0.00 -0.21 -0.19 0.00 0.71 0.00 0.00 56.30 56.60 3ity h ASN 307 Cb 0.48 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 39.32 3ity h ASN 307 CO 0.02 0.88 -0.62 -0.33 -1.29 0.00 0.00 177.43 176.08 3ity h GLU 308 N 0.72 0.77 -0.32 6.67 4.39 -1.19 -1.11 114.58 124.51 3ity h GLU 308 Ca 0.13 -0.53 -0.06 0.00 0.34 0.00 0.00 59.36 59.24 3ity h GLU 308 Cb 0.54 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 3ity h GLU 308 CO 0.03 1.15 -0.04 -0.07 -1.16 0.00 0.00 179.01 178.92 3ity h LEU 309 N 0.57 0.60 -0.57 1.33 3.38 -0.97 -2.73 115.31 116.91 3ity h LEU 309 Ca -0.01 -0.34 -0.15 0.00 0.09 0.00 0.00 57.88 57.47 3ity h LEU 309 Cb 1.22 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 3ity h LEU 309 CO 0.13 0.80 -0.48 0.58 0.09 0.00 0.00 178.44 179.56 3ity h VAL 310 N 0.39 1.31 -0.96 1.22 2.07 -0.32 -1.35 116.25 118.61 3ity h VAL 310 Ca 0.09 -1.69 0.02 0.00 0.82 0.00 0.00 66.70 65.93 3ity h VAL 310 Cb 0.52 1.66 -0.05 0.00 -1.52 0.00 0.00 31.29 31.90 3ity h VAL 310 CO 0.03 0.53 0.63 -0.78 0.02 0.00 0.00 177.57 178.00 3ity h ASP 311 N 0.46 1.08 -0.24 0.57 1.82 -1.16 0.93 116.42 119.88 3ity h ASP 311 Ca 0.02 -0.02 -0.11 0.00 -0.39 0.00 0.00 57.03 56.54 3ity h ASP 311 Cb 1.01 -0.26 -0.00 0.00 0.68 0.00 0.00 39.33 40.76 3ity h ASP 311 CO 0.09 0.77 -0.27 0.00 -1.61 0.00 0.00 179.24 178.22 3ity h ALA 312 N 1.37 0.36 0.00 -0.78 0.00 -1.35 -0.85 119.26 118.01 3ity h ALA 312 Ca 0.36 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3ity h ALA 312 Cb -0.09 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3ity h ALA 312 CO -0.09 0.36 0.00 1.49 0.00 0.00 0.00 179.25 181.00 3ity h GLU 313 N 0.32 0.00 0.00 0.00 4.81 -0.53 -2.41 114.58 116.76 3ity h GLU 313 Ca 0.03 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.02 3ity h GLU 313 Cb 0.84 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.17 3ity h GLU 313 CO 0.07 0.00 -2.14 0.00 -0.73 0.00 0.00 179.01 176.21 3ity n ALA 314 N -1.81 1.87 0.38 2.92 0.00 0.26 -4.36 120.51 119.76 3ity n ALA 314 Ca -0.00 -0.99 -0.01 0.00 0.00 0.00 0.00 53.44 52.43 3ity n ALA 314 Cb 0.11 -0.27 0.11 0.00 0.00 0.00 0.00 19.45 19.39 3ity n ALA 314 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ity n ARG 315 N -2.53 1.97 -0.51 0.00 1.74 -0.35 -4.86 116.66 112.12 3ity n ARG 315 Ca -0.22 -0.97 0.00 0.00 -0.77 0.00 0.00 57.85 55.89 3ity n ARG 315 Cb 0.93 -1.63 0.00 0.00 -1.02 0.00 0.00 32.46 30.74 3ity n ARG 315 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ity n GLY 316 N 0.13 0.45 2.11 -0.13 0.00 -1.22 -4.84 105.19 101.70 3ity n GLY 316 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 3ity n GLY 316 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3ity n VAL 317 N -2.00 0.00 -1.89 1.61 0.31 -1.12 -4.80 118.33 110.43 3ity n VAL 317 Ca 0.00 -0.04 -0.33 0.00 -0.01 0.00 0.00 64.34 63.95 3ity n VAL 317 Cb 0.00 -0.26 0.03 0.00 -0.91 0.00 0.00 33.84 32.71 3ity n VAL 317 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3ity s LYS 318 N 5.26 2.95 -1.29 5.55 1.02 -1.26 -3.64 119.74 128.33 3ity s LYS 318 Ca 0.82 1.44 -0.08 0.00 0.02 0.00 0.00 55.97 58.16 3ity s LYS 318 Cb -0.73 -1.97 0.01 0.00 -0.52 0.00 0.00 37.83 34.63 3ity s LYS 318 CO 0.30 -1.14 1.13 0.41 -0.92 0.00 0.00 175.35 175.13 3ity n GLY 319 N -0.38 -0.47 2.99 -3.33 0.00 -1.26 -4.97 105.19 97.78 3ity n GLY 319 Ca 0.11 0.21 -0.32 0.00 0.00 0.00 0.00 46.02 46.02 3ity n GLY 319 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3ity s PHE 320 N -3.30 3.29 -0.47 1.61 5.36 -1.24 -4.96 117.98 118.27 3ity s PHE 320 Ca 0.55 -3.04 0.07 0.00 -0.96 0.00 0.00 56.93 53.56 3ity s PHE 320 Cb -0.24 -2.93 0.25 0.00 -0.34 0.00 0.00 43.02 39.76 3ity s PHE 320 CO 0.69 -0.78 0.60 0.72 -1.46 0.00 0.00 175.22 174.99 3ity n HIS 321 N 3.30 0.90 -1.64 10.12 8.25 -1.26 -5.05 115.22 129.85 3ity n HIS 321 Ca 0.06 -3.75 -0.43 0.00 -0.26 0.00 0.00 57.72 53.34 3ity n HIS 321 Cb 0.34 -0.42 -0.00 0.00 1.12 0.00 0.00 29.99 31.04 3ity n HIS 321 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 3ity n PRO 322 N 1.20 1.62 -3.24 -0.41 -0.02 -1.26 -4.92 135.00 127.97 3ity n PRO 322 Ca 0.24 0.57 -0.46 0.00 -2.02 0.00 0.00 63.50 61.83 3ity n PRO 322 Cb 0.50 -2.09 -0.01 0.00 -0.02 0.00 0.00 33.50 31.87 3ity n PRO 322 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ity s ALA 323 N -1.15 4.16 0.33 3.55 0.00 0.45 -4.92 121.76 124.17 3ity s ALA 323 Ca 0.59 -3.40 -0.26 0.00 0.00 0.00 0.00 51.96 48.90 3ity s ALA 323 Cb -0.60 -3.67 -0.10 0.00 0.00 0.00 0.00 23.12 18.75 3ity s ALA 323 CO 0.59 -2.41 0.94 -1.01 0.00 0.00 0.00 175.76 173.88 3ity s HIS 324 N 0.26 3.66 0.03 0.00 3.76 -1.26 -4.01 115.29 117.72 3ity s HIS 324 Ca 0.26 1.76 -0.18 0.00 -0.15 0.00 0.00 55.06 56.76 3ity s HIS 324 Cb -0.09 -2.91 0.03 0.00 1.11 0.00 0.00 32.58 30.73 3ity s HIS 324 CO -0.08 0.19 0.40 1.41 -0.85 0.00 0.00 174.74 175.81 3ity s MET 325 N -2.14 0.87 -0.05 1.40 1.75 -0.96 -1.17 119.30 119.00 3ity s MET 325 Ca 0.51 -0.30 -0.14 0.00 -1.25 0.00 0.00 55.69 54.51 3ity s MET 325 Cb -0.18 0.39 -0.05 0.00 2.84 0.00 0.00 34.83 37.83 3ity s MET 325 CO 0.23 -0.28 0.37 0.42 -0.65 0.00 0.00 175.02 175.10 3ity s ILE 326 N -2.17 5.14 -0.31 10.11 1.01 -0.37 -0.64 121.20 133.97 3ity s ILE 326 Ca -0.07 0.74 -0.02 0.00 0.00 0.00 0.00 60.65 61.30 3ity s ILE 326 Cb -0.02 -3.68 0.11 0.00 0.01 0.00 0.00 42.46 38.89 3ity s ILE 326 CO -0.00 0.53 0.16 -0.62 0.00 0.00 0.00 174.94 175.01 3ity s ASP 327 N -0.69 3.39 0.15 3.58 -1.08 -0.41 -3.81 116.67 117.80 3ity s ASP 327 Ca 0.22 -1.63 0.01 0.00 -0.52 0.00 0.00 52.55 50.64 3ity s ASP 327 Cb -0.15 -0.41 -0.04 0.00 -1.46 0.00 0.00 42.92 40.85 3ity s ASP 327 CO 0.11 -0.39 0.00 -1.10 0.52 0.00 0.00 175.17 174.30 3ity s GLN 328 N 1.71 1.03 -0.13 4.34 -0.21 -1.26 -4.54 119.66 120.59 3ity s GLN 328 Ca 0.12 -1.48 0.02 0.00 0.02 0.00 0.00 55.36 54.04 3ity s GLN 328 Cb -0.19 -0.16 0.01 0.00 1.00 0.00 0.00 33.01 33.67 3ity s GLN 328 CO -0.23 -0.14 -0.20 0.45 -2.12 0.00 0.00 175.29 173.05 3ity s SER 329 N -3.13 2.94 -0.56 5.90 0.15 -0.21 -4.74 113.70 114.05 3ity s SER 329 Ca 0.22 -0.56 -0.08 0.00 0.70 0.00 0.00 55.95 56.23 3ity s SER 329 Cb 0.06 -1.36 0.14 0.00 -1.71 0.00 0.00 66.02 63.16 3ity s SER 329 CO 0.02 0.06 0.42 -1.00 1.20 0.00 0.00 173.24 173.95 3ity s HIS 330 N 0.86 3.48 -0.14 3.44 0.09 -1.26 -4.64 115.29 117.11 3ity s HIS 330 Ca -0.07 -2.14 0.18 0.00 -0.00 0.00 0.00 55.06 53.04 3ity s HIS 330 Cb -0.15 -3.46 -0.12 0.00 -0.00 0.00 0.00 32.58 28.84 3ity s HIS 330 CO -0.02 -0.96 0.82 0.09 -0.00 0.00 0.00 174.74 174.67 3ity n ASN 331 N 4.40 0.78 -0.71 1.40 3.02 -1.26 -1.27 115.26 121.62 3ity n ASN 331 Ca -0.00 0.34 0.04 0.00 -0.03 0.00 0.00 54.58 54.92 3ity n ASN 331 Cb 0.41 0.34 0.06 0.00 -0.61 0.00 0.00 39.78 39.98 3ity n ASN 331 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 3ity n VAL 332 N -2.81 0.69 -4.13 2.41 0.24 -1.26 -4.78 118.33 108.69 3ity n VAL 332 Ca -0.08 -1.19 -0.11 0.00 -2.04 0.00 0.00 64.34 60.91 3ity n VAL 332 Cb 0.78 0.39 -0.09 0.00 -1.47 0.00 0.00 33.84 33.45 3ity n VAL 332 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3ity s THR 333 N -1.03 0.03 -0.23 3.34 -4.23 -1.26 -5.10 115.64 107.15 3ity s THR 333 Ca 0.21 -1.81 -0.29 0.00 -1.18 0.00 0.00 61.69 58.62 3ity s THR 333 Cb 0.22 -2.29 -0.01 0.00 1.34 0.00 0.00 72.50 71.75 3ity s THR 333 CO -0.05 -0.12 1.40 -0.62 -0.54 0.00 0.00 174.62 174.69 3ity s ASP 334 N -3.09 6.66 0.33 3.99 -1.08 -1.26 -4.89 116.67 117.32 3ity s ASP 334 Ca 0.31 1.49 0.12 0.00 -0.52 0.00 0.00 52.55 53.95 3ity s ASP 334 Cb 0.05 -2.54 0.98 0.00 -1.46 0.00 0.00 42.92 39.96 3ity s ASP 334 CO 0.08 -1.04 1.69 -0.65 0.52 0.00 0.00 175.17 175.76 3ity h PRO 335 N 9.43 0.39 -0.50 4.34 0.11 -1.87 -0.78 132.00 143.12 3ity h PRO 335 Ca -0.29 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.73 3ity h PRO 335 Cb 1.12 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 3ity h PRO 335 CO 1.01 0.26 0.04 0.82 -0.21 0.00 0.00 178.00 179.91 3ity h ILE 336 N 0.41 1.26 -0.54 4.15 2.04 -1.87 -1.27 117.51 121.68 3ity h ILE 336 Ca 0.69 -1.02 -0.07 0.00 1.00 0.00 0.00 64.86 65.46 3ity h ILE 336 Cb 1.46 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 38.45 3ity h ILE 336 CO -0.56 0.36 0.08 -0.33 0.00 0.00 0.00 178.15 177.69 3ity h GLU 337 N 0.73 0.91 -0.29 2.37 5.08 -1.56 -0.94 114.58 120.88 3ity h GLU 337 Ca 0.15 -0.25 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 3ity h GLU 337 Cb 0.47 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3ity h GLU 337 CO 0.02 0.89 0.07 0.77 -1.00 0.00 0.00 179.01 179.76 3ity h SER 338 N 0.79 0.44 -0.51 1.42 0.02 -1.30 -0.89 113.55 113.52 3ity h SER 338 Ca 0.16 -0.23 -0.02 0.00 -0.84 0.00 0.00 61.79 60.87 3ity h SER 338 Cb 0.43 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.83 3ity h SER 338 CO 0.01 0.55 0.26 -0.07 -1.14 0.00 0.00 176.83 176.44 3ity h LEU 339 N 0.30 0.68 0.36 5.07 3.38 -1.12 0.16 115.31 124.14 3ity h LEU 339 Ca 0.09 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3ity h LEU 339 Cb 0.28 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3ity h LEU 339 CO 0.00 0.58 -0.17 0.40 0.09 0.00 0.00 178.44 179.34 3ity h ILE 340 N 0.76 0.65 0.00 1.22 2.04 -0.81 -0.82 117.51 120.56 3ity h ILE 340 Ca 0.19 -0.30 -0.03 0.00 1.00 0.00 0.00 64.86 65.72 3ity h ILE 340 Cb 0.08 0.80 -0.00 0.00 -0.74 0.00 0.00 36.82 36.96 3ity h ILE 340 CO -0.03 0.06 -0.16 0.78 0.00 0.00 0.00 178.15 178.81 3ity h ASN 341 N -0.65 0.00 -0.09 1.72 2.35 -0.90 -1.65 115.58 116.36 3ity h ASN 341 Ca -0.05 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.53 3ity h ASN 341 Cb 0.47 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.85 3ity h ASN 341 CO 0.08 0.16 -0.62 0.28 -1.65 0.00 0.00 177.43 175.68 3ity h SER 342 N 0.00 0.70 -0.59 5.81 0.02 -0.55 -0.59 113.55 118.34 3ity h SER 342 Ca -0.00 -0.66 -0.03 0.00 -0.84 0.00 0.00 61.79 60.26 3ity h SER 342 Cb 0.56 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.86 3ity h SER 342 CO 0.02 1.26 0.27 0.00 -1.14 0.00 0.00 176.83 177.24 3ity h ALA 343 N 0.46 1.31 -0.32 3.77 0.00 -0.89 -1.25 119.26 122.35 3ity h ALA 343 Ca -0.05 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 3ity h ALA 343 Cb 1.27 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3ity h ALA 343 CO 0.13 0.52 0.08 -0.91 0.00 0.00 0.00 179.25 179.07 3ity h ASN 344 N 0.89 0.48 -0.50 0.00 -0.26 -1.16 -2.22 115.58 112.81 3ity h ASN 344 Ca 0.21 -0.22 -0.02 0.00 -0.56 0.00 0.00 56.30 55.71 3ity h ASN 344 Cb 0.13 -0.13 -0.03 0.00 -1.06 0.00 0.00 38.32 37.24 3ity h ASN 344 CO -0.02 0.58 0.25 -0.33 -1.06 0.00 0.00 177.43 176.84 3ity h GLU 345 N 0.35 0.75 -0.36 0.81 4.39 -0.55 0.95 114.58 120.92 3ity h GLU 345 Ca 0.10 -0.09 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 3ity h GLU 345 Cb 0.28 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 3ity h GLU 345 CO -0.00 0.59 0.01 0.82 -1.16 0.00 0.00 179.01 179.27 3ity h ILE 346 N 0.75 1.26 -0.00 3.13 2.04 -1.07 -1.12 117.51 122.50 3ity h ILE 346 Ca 0.19 -0.95 -0.09 0.00 1.00 0.00 0.00 64.86 65.01 3ity h ILE 346 Cb 0.09 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 3ity h ILE 346 CO -0.02 0.32 -0.40 0.03 0.00 0.00 0.00 178.15 178.07 3ity h ARG 347 N 0.44 0.00 -0.17 2.37 3.08 -0.88 -1.57 114.38 117.65 3ity h ARG 347 Ca 0.10 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 3ity h ARG 347 Cb 0.44 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 3ity h ARG 347 CO 0.02 0.41 0.04 -0.09 -1.07 0.00 0.00 179.97 179.27 3ity h ARG 348 N 0.00 0.27 -0.58 0.04 2.43 -0.42 0.68 114.38 116.81 3ity h ARG 348 Ca -0.00 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.06 3ity h ARG 348 Cb 0.72 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.21 3ity h ARG 348 CO 0.05 0.41 0.20 0.00 -1.51 0.00 0.00 179.97 179.12 3ity h ALA 349 N 0.84 0.76 0.08 2.80 0.00 -1.01 -1.55 119.26 121.17 3ity h ALA 349 Ca 0.05 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3ity h ALA 349 Cb 0.27 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3ity h ALA 349 CO 0.00 0.41 -0.06 -0.92 0.00 0.00 0.00 179.25 178.68 3ity h TYR 350 N 0.81 -0.15 -0.68 0.00 3.20 -1.13 -1.06 116.97 117.96 3ity h TYR 350 Ca 0.19 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.11 3ity h TYR 350 Cb 0.26 0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.53 3ity h TYR 350 CO 0.02 -0.09 0.39 0.00 -1.64 0.00 0.00 178.16 176.83 3ity h ALA 351 N 0.78 0.91 -0.58 1.82 0.00 -0.69 -1.46 119.26 120.03 3ity h ALA 351 Ca -0.00 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3ity h ALA 351 Cb 0.13 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3ity h ALA 351 CO -0.00 0.09 0.09 1.96 0.00 0.00 0.00 179.25 181.39 3ity h GLN 352 N 0.73 0.94 -0.15 0.00 4.20 -1.06 -2.13 115.11 117.64 3ity h GLN 352 Ca 0.30 -0.23 -0.05 0.00 0.06 0.00 0.00 58.65 58.73 3ity h GLN 352 Cb 0.15 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 3ity h GLN 352 CO -0.16 0.87 -0.12 0.00 -0.67 0.00 0.00 178.83 178.75 3ity h ALA 353 N 1.21 1.53 0.00 3.87 0.00 -0.46 -1.36 119.26 124.05 3ity h ALA 353 Ca 0.18 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3ity h ALA 353 Cb 0.39 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3ity h ALA 353 CO 0.01 0.33 -0.16 -0.07 0.00 0.00 0.00 179.25 179.36 3ity h LEU 354 N 0.22 0.00 -0.01 0.00 3.38 -0.62 -2.83 115.31 115.46 3ity h LEU 354 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3ity h LEU 354 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3ity h LEU 354 CO 0.02 0.16 0.00 0.18 0.09 0.00 0.00 178.44 178.89 3ity n LEU 355 N -3.42 0.51 -4.74 1.67 4.77 -0.52 -4.87 117.00 110.41 3ity n LEU 355 Ca -0.01 0.55 -0.42 0.00 -0.03 0.00 0.00 56.01 56.11 3ity n LEU 355 Cb 0.34 -0.39 -0.02 0.00 -2.33 0.00 0.00 43.42 41.02 3ity n LEU 355 CO 0.31 -0.12 1.26 -0.69 -1.33 0.00 0.00 177.39 176.83 3ity s VAL 356 N -3.06 2.20 -0.97 4.08 1.01 -1.07 -4.79 120.40 117.80 3ity s VAL 356 Ca 0.12 0.16 -0.22 0.00 0.00 0.00 0.00 61.98 62.04 3ity s VAL 356 Cb 0.15 -3.10 0.07 0.00 0.00 0.00 0.00 36.38 33.49 3ity s VAL 356 CO 0.57 0.02 1.35 -0.62 0.00 0.00 0.00 175.10 176.41 3ity s ASP 357 N 0.77 6.50 0.32 3.32 -1.08 -1.26 -4.86 116.67 120.38 3ity s ASP 357 Ca 0.67 -1.51 0.04 0.00 -0.52 0.00 0.00 52.55 51.24 3ity s ASP 357 Cb -0.47 -2.52 0.66 0.00 -1.46 0.00 0.00 42.92 39.13 3ity s ASP 357 CO 0.40 -1.42 1.88 0.03 0.52 0.00 0.00 175.17 176.58 3ity h ARG 358 N 9.58 0.85 -0.24 4.34 2.47 -1.96 -0.15 114.38 129.27 3ity h ARG 358 Ca 0.14 -0.05 -0.05 0.00 -1.26 0.00 0.00 59.98 58.76 3ity h ARG 358 Cb 1.02 -0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 29.14 3ity h ARG 358 CO 1.34 0.56 -0.07 0.00 0.56 0.00 0.00 179.97 182.36 3ity h ALA 359 N 1.56 0.33 -0.42 0.04 0.00 -1.99 -0.42 119.26 118.35 3ity h ALA 359 Ca 0.43 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3ity h ALA 359 Cb 0.47 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3ity h ALA 359 CO -0.20 0.13 0.15 0.00 0.00 0.00 0.00 179.25 179.34 3ity h ALA 360 N 0.75 0.55 -0.32 0.00 0.00 -1.85 -1.60 119.26 116.79 3ity h ALA 360 Ca 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3ity h ALA 360 Cb 0.53 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3ity h ALA 360 CO 0.03 0.18 0.21 1.25 0.00 0.00 0.00 179.25 180.91 3ity h LEU 361 N 0.54 0.36 -0.86 0.00 5.85 -0.98 -1.17 115.31 119.05 3ity h LEU 361 Ca 0.14 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.91 3ity h LEU 361 Cb 0.23 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.11 3ity h LEU 361 CO -0.01 0.26 0.54 -1.28 -0.34 0.00 0.00 178.44 177.61 3ity h SER 362 N 0.43 0.86 -0.45 1.25 0.87 -0.88 -0.33 113.55 115.29 3ity h SER 362 Ca 0.12 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.66 3ity h SER 362 Cb -0.04 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.73 3ity h SER 362 CO -0.03 0.56 0.18 1.23 -0.53 0.00 0.00 176.83 178.24 3ity h GLY 363 N 1.00 0.72 2.00 5.77 0.00 -0.70 -1.31 103.07 110.55 3ity h GLY 363 Ca 0.37 -0.39 -0.08 0.00 0.00 0.00 0.00 47.33 47.23 3ity h GLY 363 CO -0.16 0.37 -0.37 -0.97 0.00 0.00 0.00 176.54 175.41 3ity h TYR 364 N 0.58 0.00 -0.11 5.60 0.05 -0.67 -1.61 116.97 120.81 3ity h TYR 364 Ca 0.15 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.85 3ity h TYR 364 Cb 0.19 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.93 3ity h TYR 364 CO 0.00 0.37 -0.26 1.96 -1.05 0.00 0.00 178.16 179.18 3ity h GLN 365 N 0.00 0.38 -0.24 4.88 4.20 -0.76 0.11 115.11 123.67 3ity h GLN 365 Ca -0.00 -0.25 -0.06 0.00 0.06 0.00 0.00 58.65 58.40 3ity h GLN 365 Cb 0.70 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.50 3ity h GLN 365 CO 0.05 0.86 -0.10 0.93 -0.67 0.00 0.00 178.83 179.89 3ity h GLU 366 N -0.05 0.40 -0.04 1.46 4.39 -1.06 -2.25 114.58 117.43 3ity h GLU 366 Ca 0.00 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.60 3ity h GLU 366 Cb 0.86 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.46 3ity h GLU 366 CO 0.06 0.51 0.00 -0.25 -1.16 0.00 0.00 179.01 178.16 3ity n ASP 367 N -4.25 1.11 -3.78 1.42 8.00 -0.62 -4.92 116.55 113.51 3ity n ASP 367 Ca 0.00 -1.43 -0.27 0.00 0.71 0.00 0.00 54.79 53.80 3ity n ASP 367 Cb 0.28 -0.02 0.05 0.00 -0.02 0.00 0.00 41.12 41.41 3ity n ASP 367 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3ity n ASN 368 N -0.11 -5.33 -4.26 -2.24 4.13 -0.72 -4.89 115.26 101.83 3ity n ASN 368 Ca 0.19 -0.68 -0.44 0.00 1.68 0.00 0.00 54.58 55.33 3ity n ASN 368 Cb 0.28 -4.37 0.00 0.00 -1.54 0.00 0.00 39.78 34.15 3ity n ASN 368 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 3ity n ASP 369 N -2.92 5.56 -0.22 6.41 -0.08 0.30 -4.87 116.55 120.73 3ity n ASP 369 Ca 0.02 -3.10 0.01 0.00 -1.51 0.00 0.00 54.79 50.21 3ity n ASP 369 Cb 0.54 -1.42 0.13 0.00 2.34 0.00 0.00 41.12 42.71 3ity n ASP 369 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3ity h ALA 370 N 6.45 0.88 0.15 -1.67 0.00 -1.90 -0.57 119.26 122.61 3ity h ALA 370 Ca 0.25 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3ity h ALA 370 Cb 0.80 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3ity h ALA 370 CO 1.21 -0.17 -0.13 1.25 0.00 0.00 0.00 179.25 181.41 3ity h LEU 371 N 0.45 -0.34 -1.11 0.00 5.85 -1.96 -1.18 115.31 117.01 3ity h LEU 371 Ca 0.34 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 59.02 3ity h LEU 371 Cb 0.43 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 3ity h LEU 371 CO -0.32 -0.20 -0.34 0.24 -0.34 0.00 0.00 178.44 177.48 3ity h MET 372 N -0.30 0.00 -0.10 1.25 2.86 -1.91 -1.28 114.93 115.44 3ity h MET 372 Ca -0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 3ity h MET 372 Cb 0.27 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.93 3ity h MET 372 CO -0.02 0.34 -0.03 0.00 1.06 0.00 0.00 176.91 178.26 3ity h ALA 373 N 1.66 0.14 -0.20 6.32 0.00 -0.80 -0.54 119.26 125.84 3ity h ALA 373 Ca -0.00 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 3ity h ALA 373 Cb 0.79 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3ity h ALA 373 CO 0.04 -0.12 -0.30 0.00 0.00 0.00 0.00 179.25 178.87 3ity h THR 374 N -0.12 1.27 0.00 0.00 1.03 -1.08 -2.48 112.91 111.53 3ity h THR 374 Ca 0.03 -1.33 -0.09 0.00 -0.01 0.00 0.00 66.41 65.01 3ity h THR 374 Cb 0.44 1.45 -0.01 0.00 -1.07 0.00 0.00 68.15 68.95 3ity h THR 374 CO 0.01 0.41 -0.44 -0.08 -0.01 0.00 0.00 175.52 175.42 3ity h GLU 375 N 0.35 0.00 -0.56 0.00 4.57 -1.13 -1.52 114.58 116.29 3ity h GLU 375 Ca 0.05 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.14 3ity h GLU 375 Cb 0.71 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.27 3ity h GLU 375 CO 0.05 0.44 -0.01 1.15 -1.18 0.00 0.00 179.01 179.46 3ity h THR 376 N 0.00 1.26 -0.29 0.32 2.02 -0.63 -0.43 112.91 115.15 3ity h THR 376 Ca -0.00 -1.12 -0.14 0.00 0.77 0.00 0.00 66.41 65.92 3ity h THR 376 Cb 0.79 0.84 -0.00 0.00 -1.74 0.00 0.00 68.15 68.04 3ity h THR 376 CO 0.06 0.40 -0.37 -0.07 0.37 0.00 0.00 175.52 175.91 3ity h LEU 377 N 0.88 0.83 -1.35 2.58 3.38 -1.28 -3.18 115.31 117.18 3ity h LEU 377 Ca 0.16 -0.49 -0.04 0.00 0.09 0.00 0.00 57.88 57.59 3ity h LEU 377 Cb 0.53 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3ity h LEU 377 CO 0.03 1.16 -0.04 0.11 0.09 0.00 0.00 178.44 179.78 3ity h LYS 378 N 0.52 0.38 -0.32 1.13 1.79 -0.99 -1.09 116.57 117.99 3ity h LYS 378 Ca 0.04 -0.08 -0.02 0.00 -2.18 0.00 0.00 60.65 58.41 3ity h LYS 378 Cb 0.95 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.53 3ity h LYS 378 CO 0.09 0.45 0.10 0.00 -1.08 0.00 0.00 179.45 179.01 3ity h ARG 379 N 0.37 0.45 0.03 3.15 3.08 -1.06 0.40 114.38 120.80 3ity h ARG 379 Ca 0.08 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 3ity h ARG 379 Cb 0.32 -0.08 0.01 0.00 0.08 0.00 0.00 29.97 30.29 3ity h ARG 379 CO 0.01 0.39 -0.24 0.00 -1.07 0.00 0.00 179.97 179.06 3ity h ALA 380 N 1.67 -0.01 -0.52 0.04 0.00 -1.45 -3.28 119.26 115.70 3ity h ALA 380 Ca 0.11 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 3ity h ALA 380 Cb 0.13 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3ity h ALA 380 CO -0.01 0.10 0.19 -0.92 0.00 0.00 0.00 179.25 178.61 3ity h TYR 381 N -0.70 0.76 0.00 0.00 3.20 -0.94 -2.42 116.97 116.86 3ity h TYR 381 Ca -0.04 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.79 3ity h TYR 381 Cb 1.12 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 39.16 3ity h TYR 381 CO 0.23 0.60 0.00 0.00 -1.64 0.00 0.00 178.16 177.35 3ity h ARG 382 N 0.75 0.00 -6.55 1.82 3.08 -0.33 -3.44 114.38 109.71 3ity h ARG 382 Ca 0.18 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.70 3ity h ARG 382 Cb 0.17 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.25 3ity h ARG 382 CO -0.01 0.00 0.76 0.99 -1.07 0.00 0.00 179.97 180.63 3ity s THR 383 N -3.53 3.20 -0.67 2.04 2.01 -0.91 -4.94 115.64 112.84 3ity s THR 383 Ca 0.02 0.85 -0.24 0.00 0.31 0.00 0.00 61.69 62.63 3ity s THR 383 Cb 0.09 -3.54 0.05 0.00 0.01 0.00 0.00 72.50 69.11 3ity s THR 383 CO 0.49 0.06 1.07 -0.62 -0.69 0.00 0.00 174.62 174.93 3ity s ASP 384 N 1.16 6.20 -0.01 3.53 2.15 -1.26 -4.86 116.67 123.58 3ity s ASP 384 Ca 0.66 -0.70 0.12 0.00 0.43 0.00 0.00 52.55 53.06 3ity s ASP 384 Cb -0.38 -2.47 0.36 0.00 -0.30 0.00 0.00 42.92 40.13 3ity s ASP 384 CO 0.30 -1.54 1.29 1.33 -0.17 0.00 0.00 175.17 176.38 3ity n VAL 385 N 6.13 0.59 -0.34 1.11 0.24 -1.26 -4.43 118.33 120.38 3ity n VAL 385 Ca -0.01 -0.55 0.11 0.00 -2.04 0.00 0.00 64.34 61.86 3ity n VAL 385 Cb 0.47 0.23 0.29 0.00 -1.47 0.00 0.00 33.84 33.36 3ity n VAL 385 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 3ity h GLU 386 N 2.33 0.70 -0.66 7.34 4.57 -1.97 0.37 114.58 127.26 3ity h GLU 386 Ca 0.00 -0.04 0.01 0.00 -1.18 0.00 0.00 59.36 58.15 3ity h GLU 386 Cb 0.58 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 28.98 3ity h GLU 386 CO 0.02 0.46 0.44 -1.35 -1.18 0.00 0.00 179.01 177.39 3ity h PRO 387 N 0.72 0.84 -0.37 0.92 0.11 -1.92 0.48 132.00 132.79 3ity h PRO 387 Ca 0.55 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 66.51 3ity h PRO 387 Cb 0.83 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.74 3ity h PRO 387 CO -0.38 0.56 -0.15 0.82 -0.21 0.00 0.00 178.00 178.63 3ity h ILE 388 N 0.87 1.28 -0.36 4.15 2.04 -1.28 -1.00 117.51 123.21 3ity h ILE 388 Ca 0.25 -1.27 -0.03 0.00 1.00 0.00 0.00 64.86 64.81 3ity h ILE 388 Cb -0.07 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 3ity h ILE 388 CO -0.06 0.42 0.12 -0.07 0.00 0.00 0.00 178.15 178.56 3ity h LEU 389 N 0.55 0.52 -0.51 1.44 4.07 -0.73 -0.72 115.31 119.92 3ity h LEU 389 Ca 0.08 -0.20 -0.08 0.00 0.08 0.00 0.00 57.88 57.77 3ity h LEU 389 Cb 0.69 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 42.28 3ity h LEU 389 CO 0.05 0.58 0.02 0.00 -1.08 0.00 0.00 178.44 178.01 3ity h ALA 390 N 0.96 0.69 -0.46 1.53 0.00 -0.89 -1.78 119.26 119.31 3ity h ALA 390 Ca 0.12 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 3ity h ALA 390 Cb 0.24 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3ity h ALA 390 CO -0.01 0.48 -0.18 1.49 0.00 0.00 0.00 179.25 181.04 3ity h GLU 391 N 0.76 0.91 -0.82 0.00 4.57 -1.12 0.14 114.58 119.02 3ity h GLU 391 Ca 0.15 -0.36 0.00 0.00 -1.18 0.00 0.00 59.36 57.97 3ity h GLU 391 Cb 0.49 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.99 3ity h GLU 391 CO 0.02 1.01 0.52 0.00 -1.18 0.00 0.00 179.01 179.38 3ity h ALA 392 N 0.99 1.04 -0.28 2.92 0.00 -0.95 -0.33 119.26 122.65 3ity h ALA 392 Ca 0.11 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3ity h ALA 392 Cb 0.72 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3ity h ALA 392 CO 0.06 0.48 -0.12 0.00 0.00 0.00 0.00 179.25 179.67 3ity h ARG 393 N 1.12 0.57 -0.32 0.00 3.08 -1.00 -2.91 114.38 114.93 3ity h ARG 393 Ca 0.30 -0.24 0.03 0.00 0.07 0.00 0.00 59.98 60.13 3ity h ARG 393 Cb -0.09 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 29.92 3ity h ARG 393 CO -0.06 0.81 0.15 -0.09 -1.07 0.00 0.00 179.97 179.70 3ity h ARG 394 N 0.31 0.30 0.00 0.04 2.43 -0.52 0.90 114.38 117.85 3ity h ARG 394 Ca 0.06 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3ity h ARG 394 Cb 0.63 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 3ity h ARG 394 CO 0.04 0.20 0.00 0.54 -1.51 0.00 0.00 179.97 179.24 3ity n ARG 395 N -4.97 0.19 -0.20 0.20 1.74 -0.18 -2.98 116.66 110.45 3ity n ARG 395 Ca 0.00 0.39 0.06 0.00 -0.77 0.00 0.00 57.85 57.53 3ity n ARG 395 Cb 0.09 -1.84 0.17 0.00 -1.02 0.00 0.00 32.46 29.85 3ity n ARG 395 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3ity n THR 396 N -2.19 1.09 -0.26 0.55 -2.24 -0.93 -4.96 114.28 105.34 3ity n THR 396 Ca 0.02 -1.06 0.00 0.00 -2.27 0.00 0.00 64.05 60.75 3ity n THR 396 Cb 0.24 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.92 3ity n THR 396 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ity n GLY 397 N 0.48 0.87 0.00 3.38 0.00 -1.01 -5.01 105.19 103.90 3ity n GLY 397 Ca 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3ity n GLY 397 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ity n GLY 398 N -2.26 1.62 3.70 -0.02 0.00 0.31 -4.78 105.19 103.75 3ity n GLY 398 Ca 0.00 -2.07 -0.33 0.00 0.00 0.00 0.00 46.02 43.62 3ity n GLY 398 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ity s ALA 399 N -2.21 3.33 0.16 4.61 0.00 -0.29 -4.20 121.76 123.16 3ity s ALA 399 Ca 0.00 -0.92 -0.14 0.00 0.00 0.00 0.00 51.96 50.91 3ity s ALA 399 Cb 0.00 -1.40 0.05 0.00 0.00 0.00 0.00 23.12 21.78 3ity s ALA 399 CO 0.00 0.64 1.77 0.28 0.00 0.00 0.00 175.76 178.45 3ity h VAL 400 N 3.58 1.18 -3.19 0.00 2.07 -1.88 -3.33 116.25 114.68 3ity h VAL 400 Ca -0.49 -0.48 -0.62 0.00 0.82 0.00 0.00 66.70 65.93 3ity h VAL 400 Cb 1.18 0.54 -0.40 0.00 -1.52 0.00 0.00 31.29 31.08 3ity h VAL 400 CO 0.58 0.20 -0.70 -0.62 0.02 0.00 0.00 177.57 177.04 3ity s ASP 401 N -5.85 4.00 0.14 0.57 -1.08 -1.26 -4.65 116.67 108.54 3ity s ASP 401 Ca -0.13 -2.64 -0.26 0.00 -0.52 0.00 0.00 52.55 48.99 3ity s ASP 401 Cb 0.12 -1.28 -0.02 0.00 -1.46 0.00 0.00 42.92 40.29 3ity s ASP 401 CO 0.76 -0.28 1.60 -0.65 0.52 0.00 0.00 175.17 177.12 3ity h PRO 402 N 6.83 -0.39 -0.88 4.34 0.11 -1.86 -1.52 132.00 138.64 3ity h PRO 402 Ca -0.05 0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.07 3ity h PRO 402 Cb 0.93 0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.09 3ity h PRO 402 CO 0.56 -0.26 0.47 0.28 -0.21 0.00 0.00 178.00 178.84 3ity h VAL 403 N -0.40 1.26 -0.67 3.15 2.07 -1.95 0.16 116.25 119.87 3ity h VAL 403 Ca 0.10 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 3ity h VAL 403 Cb 0.57 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 3ity h VAL 403 CO -0.40 0.29 0.37 0.00 0.02 0.00 0.00 177.57 177.85 3ity h ALA 404 N 1.28 0.85 -0.45 1.67 0.00 -1.93 -0.07 119.26 120.61 3ity h ALA 404 Ca 0.31 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.97 3ity h ALA 404 Cb 0.05 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3ity h ALA 404 CO -0.05 0.36 -0.27 1.15 0.00 0.00 0.00 179.25 180.45 3ity h THR 405 N 0.91 1.27 -0.45 0.00 2.02 -0.79 -1.12 112.91 114.75 3ity h THR 405 Ca 0.23 -1.43 0.02 0.00 0.77 0.00 0.00 66.41 66.00 3ity h THR 405 Cb 0.03 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 67.61 3ity h THR 405 CO -0.04 0.49 0.27 0.22 0.37 0.00 0.00 175.52 176.84 3ity h TYR 406 N 0.83 0.51 -0.30 3.16 3.20 -0.23 -1.11 116.97 123.03 3ity h TYR 406 Ca 0.10 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.84 3ity h TYR 406 Cb 0.85 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 3ity h TYR 406 CO 0.06 0.30 -0.41 0.00 -1.64 0.00 0.00 178.16 176.47 3ity h ARG 407 N 0.55 0.72 0.00 1.82 3.08 -0.92 -2.92 114.38 116.72 3ity h ARG 407 Ca 0.18 -0.38 -0.04 0.00 0.07 0.00 0.00 59.98 59.81 3ity h ARG 407 Cb 0.00 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 3ity h ARG 407 CO -0.08 0.99 -0.18 0.00 -1.07 0.00 0.00 179.97 179.63 3ity h ALA 408 N 0.96 1.17 0.00 0.04 0.00 -0.88 -2.78 119.26 117.77 3ity h ALA 408 Ca 0.05 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 3ity h ALA 408 Cb 0.95 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 3ity h ALA 408 CO 0.09 0.23 -0.32 0.66 0.00 0.00 0.00 179.25 179.91 3ity h SER 409 N 0.00 0.00 -0.29 0.00 4.64 -1.01 -3.47 113.55 113.42 3ity h SER 409 Ca -0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.19 3ity h SER 409 Cb 0.53 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.57 3ity h SER 409 CO 0.02 0.32 -0.11 0.61 -0.87 0.00 0.00 176.83 176.80 3ity n GLY 410 N 0.75 0.85 0.25 -0.77 0.00 -1.05 -4.94 105.19 100.27 3ity n GLY 410 Ca 0.01 -0.71 -0.08 0.00 0.00 0.00 0.00 46.02 45.24 3ity n GLY 410 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3ity h TYR 411 N 0.00 -0.53 -0.43 1.61 3.20 -1.85 -1.51 116.97 117.47 3ity h TYR 411 Ca -0.12 0.04 0.08 0.00 3.14 0.00 0.00 58.73 61.86 3ity h TYR 411 Cb 0.42 0.27 -0.07 0.00 1.54 0.00 0.00 36.73 38.89 3ity h TYR 411 CO 0.18 -0.28 0.03 -0.09 -1.64 0.00 0.00 178.16 176.36 3ity h ARG 412 N -0.20 0.14 -0.51 1.82 9.65 -1.92 -0.15 114.38 123.21 3ity h ARG 412 Ca 0.14 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 59.00 3ity h ARG 412 Cb 0.41 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.94 3ity h ARG 412 CO -0.37 0.09 0.27 0.00 2.80 0.00 0.00 179.97 182.76 3ity h ALA 413 N 1.36 1.52 0.69 2.80 0.00 -1.88 -0.04 119.26 123.72 3ity h ALA 413 Ca 0.21 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3ity h ALA 413 Cb 0.29 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.88 3ity h ALA 413 CO -0.33 0.40 -0.33 -0.09 0.00 0.00 0.00 179.25 178.90 3ity h ARG 414 N 0.70 -0.90 0.00 0.00 2.43 -0.04 -2.36 114.38 114.22 3ity h ARG 414 Ca 0.18 0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.40 3ity h ARG 414 Cb 0.03 0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.79 3ity h ARG 414 CO -0.03 -0.57 -0.06 -0.39 -1.51 0.00 0.00 179.97 177.41 3ity h VAL 415 N -1.10 0.25 -0.04 0.20 -1.51 -1.01 -1.34 116.25 111.70 3ity h VAL 415 Ca -0.10 -0.43 -0.10 0.00 -1.23 0.00 0.00 66.70 64.84 3ity h VAL 415 Cb 0.74 1.34 -0.01 0.00 -2.13 0.00 0.00 31.29 31.23 3ity h VAL 415 CO 0.16 0.06 -0.42 0.00 -1.23 0.00 0.00 177.57 176.13 3ity h ALA 416 N 1.94 1.22 0.00 5.19 0.00 -0.79 -1.44 119.26 125.38 3ity h ALA 416 Ca -0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3ity h ALA 416 Cb 0.33 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3ity h ALA 416 CO 0.01 0.56 -0.31 0.00 0.00 0.00 0.00 179.25 179.50 3ity n ALA 417 N -2.46 2.94 0.18 0.00 0.00 -0.53 -3.90 120.51 116.73 3ity n ALA 417 Ca -0.02 -0.22 0.09 0.00 0.00 0.00 0.00 53.44 53.29 3ity n ALA 417 Cb 0.46 -1.27 -0.13 0.00 0.00 0.00 0.00 19.45 18.51 3ity n ALA 417 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3ity n GLU 418 N -1.66 0.72 -4.50 0.00 1.02 -0.96 -4.99 120.64 110.27 3ity n GLU 418 Ca 0.06 -0.12 -0.31 0.00 -0.02 0.00 0.00 57.16 56.76 3ity n GLU 418 Cb 0.36 -1.40 -0.11 0.00 -0.02 0.00 0.00 31.44 30.27 3ity n GLU 418 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3ity s ARG 419 N -3.09 2.38 0.75 3.49 0.52 -0.58 -5.09 118.95 117.32 3ity s ARG 419 Ca -0.04 -0.82 -0.15 0.00 -0.52 0.00 0.00 55.73 54.20 3ity s ARG 419 Cb 0.12 -2.40 0.05 0.00 0.52 0.00 0.00 34.95 33.24 3ity s ARG 419 CO 0.73 0.58 1.24 -1.25 0.02 0.00 0.00 175.30 176.62 3ity s PRO 420 N -1.49 1.98 0.61 3.54 0.04 -1.26 -4.73 135.00 133.69 3ity s PRO 420 Ca 0.17 1.88 -0.17 0.00 0.04 0.00 0.00 61.00 62.92 3ity s PRO 420 Cb -0.11 -1.80 -0.02 0.00 0.04 0.00 0.00 34.50 32.61 3ity s PRO 420 CO 0.07 -1.99 1.13 0.00 0.04 0.00 0.00 177.00 176.26 3ity s ALA 421 N -1.85 2.55 0.22 8.56 0.00 -1.26 -4.64 121.76 125.34 3ity s ALA 421 Ca 0.77 0.70 0.09 0.00 0.00 0.00 0.00 51.96 53.52 3ity s ALA 421 Cb -0.32 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.41 3ity s ALA 421 CO 0.46 -1.08 -0.03 -1.12 0.00 0.00 0.00 175.76 173.99 3ity s SER 422 N -2.17 4.50 0.03 0.00 0.01 -1.26 -5.08 113.70 109.73 3ity s SER 422 Ca 0.70 -0.57 0.06 0.00 1.31 0.00 0.00 55.95 57.45 3ity s SER 422 Cb -0.23 -0.84 -0.03 0.00 0.21 0.00 0.00 66.02 65.13 3ity s SER 422 CO 0.35 0.05 -0.15 0.68 0.41 0.00 0.00 173.24 174.58 3ity s VAL 423 N -2.00 3.02 0.55 3.43 -7.23 -1.26 -4.98 120.40 111.93 3ity s VAL 423 Ca 0.28 -1.05 -0.08 0.00 -1.81 0.00 0.00 61.98 59.33 3ity s VAL 423 Cb -0.08 -2.28 -0.03 0.00 0.56 0.00 0.00 36.38 34.55 3ity s VAL 423 CO 0.18 0.37 0.89 0.00 -0.31 0.00 0.00 175.10 176.24 3ity s ALA 424 N -0.93 3.27 0.00 1.32 0.00 -1.26 -4.74 121.76 119.42 3ity s ALA 424 Ca 0.15 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.76 3ity s ALA 424 Cb -0.11 -2.79 0.00 0.00 0.00 0.00 0.00 23.12 20.22 3ity s ALA 424 CO 0.06 -0.52 0.00 0.41 0.00 0.00 0.00 175.76 175.70 3ity n GLY 425 N -2.49 0.92 3.92 0.00 0.00 -1.09 -5.02 105.19 101.44 3ity n GLY 425 Ca 0.03 -0.86 -0.26 0.00 0.00 0.00 0.00 46.02 44.94 3ity n GLY 425 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ity s GLY 426 N -2.30 1.53 0.00 -0.02 0.00 -1.26 -1.64 107.32 103.63 3ity s GLY 426 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 44.72 43.98 3ity s GLY 426 CO 0.00 -0.55 0.00 0.61 0.00 0.00 0.00 173.10 173.16 3ity n GLY 427 N -2.27 0.29 0.00 0.20 0.00 -0.92 -4.64 105.19 97.85 3ity n GLY 427 Ca 0.01 -1.82 0.04 0.00 0.00 0.00 0.00 46.02 44.26 3ity n GLY 427 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ity n GLY 428 N 5.00 -0.47 0.35 -0.02 0.00 -1.09 -3.52 105.19 105.44 3ity n GLY 428 Ca 0.00 -0.04 0.20 0.00 0.00 0.00 0.00 46.02 46.17 3ity n GLY 428 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3ity h ILE 429 N 0.00 0.47 0.00 -0.61 6.09 -1.41 -3.51 117.51 118.54 3ity h ILE 429 Ca 0.00 -0.17 0.00 0.00 -1.37 0.00 0.00 64.86 63.32 3ity h ILE 429 Cb 0.05 -0.08 0.00 0.00 0.47 0.00 0.00 36.82 37.27 3ity h ILE 429 CO 0.00 0.09 0.00 2.30 -3.07 0.00 0.00 178.15 177.47