#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i4m n GLN 3 N 0.00 0.00 -0.03 -1.24 10.64 -1.26 -3.61 117.38 121.88 3i4m n GLN 3 Ca 0.00 0.00 0.03 0.00 -1.83 0.00 0.00 57.00 55.20 3i4m n GLN 3 Cb 0.00 0.00 0.04 0.00 -0.86 0.00 0.00 30.24 29.42 3i4m n GLN 3 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 3i4m n GLU 4 N 3.43 2.58 0.00 2.61 -0.58 -1.26 -4.28 120.64 123.13 3i4m n GLU 4 Ca 0.00 -1.80 0.06 0.00 -0.42 0.00 0.00 57.16 55.00 3i4m n GLU 4 Cb 0.00 -1.14 0.27 0.00 -0.57 0.00 0.00 31.44 30.00 3i4m n GLU 4 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 3i4m n ASN 5 N -0.69 0.00 0.00 1.62 2.85 -1.25 -2.45 115.26 115.34 3i4m n ASN 5 Ca 0.05 0.50 0.00 0.00 -0.11 0.00 0.00 54.58 55.02 3i4m n ASN 5 Cb 0.36 -0.50 0.00 0.00 1.24 0.00 0.00 39.78 40.88 3i4m n ASN 5 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 3i4m n GLU 6 N -1.50 0.00 0.00 1.20 4.07 -1.24 -2.49 120.64 120.68 3i4m n GLU 6 Ca 0.03 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.13 3i4m n GLU 6 Cb 0.15 -0.88 0.00 0.00 -0.06 0.00 0.00 31.44 30.65 3i4m n GLU 6 CO 0.00 0.00 0.00 2.89 -0.06 0.00 0.00 177.13 179.96 3i4m n ARG 7 N -0.49 0.00 0.04 5.31 -4.01 -1.18 -1.14 116.66 115.19 3i4m n ARG 7 Ca 0.00 0.22 -0.15 0.00 -1.04 0.00 0.00 57.85 56.89 3i4m n ARG 7 Cb 0.00 -1.50 -0.14 0.00 -3.04 0.00 0.00 32.46 27.78 3i4m n ARG 7 CO 0.00 0.00 0.00 -0.97 -3.04 0.00 0.00 177.63 173.62 3i4m h ASN 8 N 0.00 0.27 0.36 2.89 -0.73 -1.50 -3.21 115.58 113.67 3i4m h ASN 8 Ca 0.00 -0.42 -0.31 0.00 1.87 0.00 0.00 56.30 57.44 3i4m h ASN 8 Cb 0.00 -0.09 0.02 0.00 0.27 0.00 0.00 38.32 38.53 3i4m h ASN 8 CO 0.00 1.36 -1.34 0.40 -0.37 0.00 0.00 177.43 177.48 3i4m h ILE 9 N 0.05 1.36 -0.84 2.57 2.04 -0.81 -2.87 117.51 119.01 3i4m h ILE 9 Ca -0.25 -2.76 0.21 0.00 1.00 0.00 0.00 64.86 63.05 3i4m h ILE 9 Cb 2.00 2.92 -0.13 0.00 -0.74 0.00 0.00 36.82 40.86 3i4m h ILE 9 CO 0.13 0.82 0.20 -1.28 0.00 0.00 0.00 178.15 178.02 3i4m h SER 10 N 0.15 -0.03 0.17 1.72 0.87 -1.54 0.15 113.55 115.04 3i4m h SER 10 Ca -0.20 0.19 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 3i4m h SER 10 Cb 2.03 0.26 0.00 0.00 -0.44 0.00 0.00 62.40 64.25 3i4m h SER 10 CO 0.24 -0.13 -0.08 0.03 -0.53 0.00 0.00 176.83 176.36 3i4m h ARG 11 N 0.21 -0.23 0.00 2.24 3.08 -1.58 -2.55 114.38 115.56 3i4m h ARG 11 Ca 0.51 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.57 3i4m h ARG 11 Cb 0.98 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.08 3i4m h ARG 11 CO -0.63 0.14 0.51 1.25 -1.07 0.00 0.00 179.97 180.18 3i4m h LEU 12 N -0.65 0.00 0.00 3.04 5.85 -0.55 0.32 115.31 123.33 3i4m h LEU 12 Ca -0.02 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 3i4m h LEU 12 Cb 0.47 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.50 3i4m h LEU 12 CO 0.04 0.00 -0.33 -0.25 -0.34 0.00 0.00 178.44 177.56 3i4m h TRP 13 N 0.00 0.00 -1.00 1.25 7.01 -0.66 -3.07 115.95 119.47 3i4m h TRP 13 Ca 0.00 0.00 0.25 0.00 2.11 0.00 0.00 58.89 61.25 3i4m h TRP 13 Cb 1.03 0.00 -0.08 0.00 -2.10 0.00 0.00 29.16 28.01 3i4m h TRP 13 CO 0.00 0.12 0.66 0.00 -2.79 0.00 0.00 178.44 176.43 3i4m h ARG 14 N -1.00 0.34 -0.53 2.65 3.08 -0.11 0.74 114.38 119.55 3i4m h ARG 14 Ca -0.02 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 3i4m h ARG 14 Cb 0.37 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 3i4m h ARG 14 CO -0.01 0.23 0.12 0.00 -1.07 0.00 0.00 179.97 179.23 3i4m h ALA 15 N 1.60 0.70 0.51 0.04 0.00 -1.15 -2.14 119.26 118.81 3i4m h ALA 15 Ca 0.55 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 3i4m h ALA 15 Cb 1.47 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3i4m h ALA 15 CO -0.22 0.40 -0.26 0.35 0.00 0.00 0.00 179.25 179.53 3i4m h PHE 16 N 0.74 -0.67 -1.08 0.00 3.57 0.51 -2.14 116.94 117.88 3i4m h PHE 16 Ca 0.16 -0.01 0.33 0.00 3.53 0.00 0.00 57.97 61.99 3i4m h PHE 16 Cb 0.35 0.22 -0.13 0.00 2.79 0.00 0.00 35.95 39.18 3i4m h PHE 16 CO 0.02 -0.40 0.65 0.07 -2.23 0.00 0.00 178.31 176.42 3i4m h ARG 17 N -0.69 0.28 -0.43 1.11 0.11 -1.10 0.94 114.38 114.59 3i4m h ARG 17 Ca -0.07 -0.02 -0.05 0.00 0.10 0.00 0.00 59.98 59.95 3i4m h ARG 17 Cb 0.54 -0.06 -0.02 0.00 1.11 0.00 0.00 29.97 31.54 3i4m h ARG 17 CO 0.11 0.19 0.09 1.15 0.10 0.00 0.00 179.97 181.61 3i4m h THR 18 N 0.29 1.24 -0.99 0.08 2.02 -1.26 -2.05 112.91 112.24 3i4m h THR 18 Ca 0.73 -0.83 0.13 0.00 0.77 0.00 0.00 66.41 67.21 3i4m h THR 18 Cb 1.83 0.95 -0.09 0.00 -1.74 0.00 0.00 68.15 69.11 3i4m h THR 18 CO -0.51 0.29 0.62 0.58 0.37 0.00 0.00 175.52 176.87 3i4m h VAL 19 N 0.57 0.88 0.45 3.16 2.07 0.16 0.32 116.25 123.85 3i4m h VAL 19 Ca 0.13 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 3i4m h VAL 19 Cb 0.34 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 29.99 3i4m h VAL 19 CO 0.00 0.17 -0.22 0.11 0.02 0.00 0.00 177.57 177.65 3i4m h LYS 20 N 0.92 -0.59 -0.24 1.57 1.79 -0.89 0.15 116.57 119.28 3i4m h LYS 20 Ca 0.50 0.04 0.06 0.00 -2.18 0.00 0.00 60.65 59.07 3i4m h LYS 20 Cb 0.58 0.13 -0.06 0.00 -1.58 0.00 0.00 32.23 31.30 3i4m h LYS 20 CO -0.27 -0.34 -0.18 0.93 -1.08 0.00 0.00 179.45 178.51 3i4m h GLU 21 N -0.71 -0.16 -0.81 3.15 5.08 -0.54 0.27 114.58 120.85 3i4m h GLU 21 Ca -0.06 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.35 3i4m h GLU 21 Cb 0.52 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.76 3i4m h GLU 21 CO 0.10 -0.11 0.53 1.98 -1.00 0.00 0.00 179.01 180.52 3i4m h MET 22 N -0.17 0.94 0.00 2.33 4.05 -0.27 0.66 114.93 122.47 3i4m h MET 22 Ca 0.14 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.50 3i4m h MET 22 Cb 0.38 -0.21 0.00 0.00 -0.80 0.00 0.00 31.60 30.96 3i4m h MET 22 CO -0.34 0.62 0.00 0.28 0.23 0.00 0.00 176.91 177.70 3i4m h VAL 23 N 0.97 0.00 0.00 -5.77 2.07 0.85 -1.76 116.25 112.61 3i4m h VAL 23 Ca 0.33 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 67.23 3i4m h VAL 23 Cb 0.10 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 3i4m h VAL 23 CO -0.10 0.00 -0.33 0.50 0.02 0.00 0.00 177.57 177.66 3i4m h LYS 24 N 0.00 0.00 -0.83 1.57 3.64 0.18 -2.66 116.57 118.47 3i4m h LYS 24 Ca 0.00 0.00 0.21 0.00 -1.27 0.00 0.00 60.65 59.59 3i4m h LYS 24 Cb 0.65 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.34 3i4m h LYS 24 CO 0.00 0.00 0.15 -0.44 -2.27 0.00 0.00 179.45 176.89 3i4m h ASP 25 N -0.66 -0.12 -0.64 4.20 3.32 0.10 1.30 116.42 123.91 3i4m h ASP 25 Ca 0.00 0.19 0.19 0.00 0.02 0.00 0.00 57.03 57.43 3i4m h ASP 25 Cb 0.33 0.29 -0.03 0.00 0.22 0.00 0.00 39.33 40.14 3i4m h ASP 25 CO 0.00 -0.15 0.68 -0.09 -1.72 0.00 0.00 179.24 177.96 3i4m h ARG 26 N 0.18 0.00 0.00 3.56 2.43 -1.49 -3.43 114.38 115.63 3i4m h ARG 26 Ca 0.49 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.66 3i4m h ARG 26 Cb 0.94 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.49 3i4m h ARG 26 CO -0.65 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.22 3i4m n GLY 27 N -1.57 1.00 3.34 2.80 0.00 0.44 -5.02 105.19 106.18 3i4m n GLY 27 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 3i4m n GLY 27 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i4m s TYR 28 N -1.94 1.80 -0.12 1.61 1.51 -0.78 -3.48 117.35 115.93 3i4m s TYR 28 Ca 0.00 -0.49 -0.29 0.00 -1.01 0.00 0.00 57.07 55.28 3i4m s TYR 28 Cb 0.00 -0.88 -0.04 0.00 -0.11 0.00 0.00 41.96 40.94 3i4m s TYR 28 CO 0.00 0.35 1.54 0.12 -1.11 0.00 0.00 175.55 176.44 3i4m s PHE 29 N -2.29 2.24 -0.24 2.71 5.36 0.49 -4.48 117.98 121.77 3i4m s PHE 29 Ca 0.18 0.49 -0.07 0.00 -0.96 0.00 0.00 56.93 56.57 3i4m s PHE 29 Cb -0.04 -3.82 0.12 0.00 -0.34 0.00 0.00 43.02 38.93 3i4m s PHE 29 CO 0.07 -3.06 0.51 0.42 -1.46 0.00 0.00 175.22 171.69 3i4m s ILE 30 N 4.15 -0.79 0.58 3.12 1.01 -1.26 -4.13 121.20 123.87 3i4m s ILE 30 Ca 0.68 0.08 -0.18 0.00 0.00 0.00 0.00 60.65 61.22 3i4m s ILE 30 Cb -0.28 -0.82 -0.06 0.00 0.01 0.00 0.00 42.46 41.31 3i4m s ILE 30 CO 0.25 0.02 0.82 0.35 0.00 0.00 0.00 174.94 176.39 3i4m n THR 31 N 5.41 3.20 0.34 2.92 -2.24 -1.26 -4.90 114.28 117.75 3i4m n THR 31 Ca -0.09 -0.50 -0.16 0.00 -2.27 0.00 0.00 64.05 61.03 3i4m n THR 31 Cb 0.49 -1.00 -0.08 0.00 -2.10 0.00 0.00 70.33 67.65 3i4m n THR 31 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 3i4m h GLN 32 N 0.44 -0.83 -0.55 -0.78 5.75 -2.01 -3.13 115.11 113.99 3i4m h GLN 32 Ca -0.47 0.06 0.09 0.00 -0.15 0.00 0.00 58.65 58.17 3i4m h GLN 32 Cb 1.37 0.19 -0.07 0.00 1.07 0.00 0.00 27.48 30.05 3i4m h GLN 32 CO 0.50 -0.51 0.18 0.93 -2.65 0.00 0.00 178.83 177.28 3i4m h GLU 33 N -1.04 0.34 -1.08 1.69 3.07 -1.95 -1.45 114.58 114.15 3i4m h GLU 33 Ca -0.09 -0.02 0.42 0.00 -0.50 0.00 0.00 59.36 59.18 3i4m h GLU 33 Cb 0.70 -0.08 -0.16 0.00 -0.84 0.00 0.00 28.75 28.37 3i4m h GLU 33 CO 0.14 0.22 0.62 -1.91 -1.40 0.00 0.00 179.01 176.69 3i4m n GLU 34 N -5.03 -0.05 0.03 2.33 2.13 -1.19 0.21 120.64 119.07 3i4m n GLU 34 Ca 0.07 1.30 -0.13 0.00 0.66 0.00 0.00 57.16 59.07 3i4m n GLU 34 Cb 0.25 -2.40 -0.09 0.00 0.27 0.00 0.00 31.44 29.46 3i4m n GLU 34 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3i4m h VAL 35 N 0.00 1.15 0.00 6.31 2.07 -1.27 -3.05 116.25 121.47 3i4m h VAL 35 Ca 0.83 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 67.27 3i4m h VAL 35 Cb 2.35 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 33.95 3i4m h VAL 35 CO -0.66 0.26 0.00 -0.62 0.02 0.00 0.00 177.57 176.57 3i4m n GLU 36 N -4.91 0.31 -1.53 1.57 1.02 0.56 -4.76 120.64 112.90 3i4m n GLU 36 Ca -0.08 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.70 3i4m n GLU 36 Cb 0.26 -1.15 -0.08 0.00 -0.02 0.00 0.00 31.44 30.44 3i4m n GLU 36 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3i4m n LEU 37 N 0.33 1.38 -4.20 -4.62 7.94 -0.70 -4.89 117.00 112.25 3i4m n LEU 37 Ca 0.00 -0.36 -0.35 0.00 -1.11 0.00 0.00 56.01 54.20 3i4m n LEU 37 Cb 0.08 -1.31 0.09 0.00 0.53 0.00 0.00 43.42 42.81 3i4m n LEU 37 CO 0.00 -1.36 -0.86 -0.81 -1.11 0.00 0.00 177.39 173.24 3i4m n PRO 38 N 8.64 -0.43 0.29 1.96 -0.04 -1.26 -4.75 135.00 139.41 3i4m n PRO 38 Ca 0.49 -0.11 -0.12 0.00 -0.04 0.00 0.00 63.50 63.73 3i4m n PRO 38 Cb 0.34 -1.44 -0.06 0.00 -0.04 0.00 0.00 33.50 32.30 3i4m n PRO 38 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3i4m h LEU 39 N -1.42 -0.64 -0.39 1.53 5.85 -1.98 -2.04 115.31 116.22 3i4m h LEU 39 Ca -0.45 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.33 3i4m h LEU 39 Cb 1.32 0.17 -0.06 0.00 0.37 0.00 0.00 40.66 42.46 3i4m h LEU 39 CO 0.30 -0.36 -0.36 -0.33 -0.34 0.00 0.00 178.44 177.34 3i4m h GLU 40 N -0.95 -0.16 0.00 1.25 4.39 -1.99 0.63 114.58 117.76 3i4m h GLU 40 Ca -0.08 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.63 3i4m h GLU 40 Cb 0.58 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 3i4m h GLU 40 CO 0.13 -0.10 0.01 -0.25 -1.16 0.00 0.00 179.01 177.64 3i4m n ASP 41 N -4.40 0.30 -0.05 1.42 8.00 -1.25 -2.01 116.55 118.55 3i4m n ASP 41 Ca -0.01 0.63 -0.01 0.00 0.71 0.00 0.00 54.79 56.11 3i4m n ASP 41 Cb 0.20 -0.67 -0.00 0.00 -0.02 0.00 0.00 41.12 40.63 3i4m n ASP 41 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 3i4m h PHE 42 N 0.00 0.00 0.00 1.24 3.57 0.93 -3.41 116.94 119.27 3i4m h PHE 42 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3i4m h PHE 42 Cb 0.03 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.77 3i4m h PHE 42 CO 0.00 0.00 0.00 1.63 -2.23 0.00 0.00 178.31 177.71 3i4m n LYS 43 N -4.42 0.00 -1.70 1.11 5.02 0.00 -3.15 118.16 115.02 3i4m n LYS 43 Ca -0.02 0.19 -0.39 0.00 -2.02 0.00 0.00 58.31 56.07 3i4m n LYS 43 Cb 0.07 -0.51 -0.03 0.00 -0.02 0.00 0.00 35.03 34.54 3i4m n LYS 43 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i4m s ALA 44 N -1.89 2.20 0.00 7.82 0.00 -1.21 -1.89 121.76 126.79 3i4m s ALA 44 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.14 3i4m s ALA 44 Cb 0.00 -4.22 0.00 0.00 0.00 0.00 0.00 23.12 18.90 3i4m s ALA 44 CO 0.00 -3.65 0.00 1.17 0.00 0.00 0.00 175.76 173.28 3i4m n LYS 45 N 8.89 0.00 -0.30 0.00 4.81 -1.19 -4.79 118.16 125.58 3i4m n LYS 45 Ca 0.30 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.78 3i4m n LYS 45 Cb 0.50 0.00 0.05 0.00 0.02 0.00 0.00 35.03 35.60 3i4m n LYS 45 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3i4m n TYR 46 N 0.00 0.00 -4.03 5.64 4.02 -0.79 -5.06 117.16 116.94 3i4m n TYR 46 Ca 0.00 -0.37 -0.28 0.00 -0.01 0.00 0.00 57.90 57.24 3i4m n TYR 46 Cb 0.00 -0.08 -0.05 0.00 -0.02 0.00 0.00 39.34 39.19 3i4m n TYR 46 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3i4m n ASP 48 N 0.01 0.00 0.14 0.00 5.75 -1.21 -4.88 116.55 116.36 3i4m n ASP 48 Ca -0.08 0.00 0.13 0.00 -0.01 0.00 0.00 54.79 54.83 3i4m n ASP 48 Cb 0.53 0.00 0.40 0.00 -1.03 0.00 0.00 41.12 41.02 3i4m n ASP 48 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 3i4m h SER 49 N 0.00 0.00 0.46 -1.12 4.64 -2.00 -3.06 113.55 112.46 3i4m h SER 49 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3i4m h SER 49 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3i4m h SER 49 CO 0.00 0.00 -0.85 0.23 -0.87 0.00 0.00 176.83 175.34 3i4m n MET 50 N -2.45 0.19 -0.59 4.77 2.81 -1.26 -4.96 117.12 115.63 3i4m n MET 50 Ca 0.04 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.94 3i4m n MET 50 Cb 0.40 -1.57 0.00 0.00 -0.71 0.00 0.00 33.22 31.34 3i4m n MET 50 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3i4m n GLY 51 N 1.41 0.66 3.31 3.03 0.00 -1.16 -5.07 105.19 107.37 3i4m n GLY 51 Ca 0.03 -0.45 -0.20 0.00 0.00 0.00 0.00 46.02 45.40 3i4m n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i4m n ARG 52 N -2.59 -0.09 -3.02 1.61 1.74 -1.26 -4.82 116.66 108.23 3i4m n ARG 52 Ca 0.00 -2.28 -0.40 0.00 -0.77 0.00 0.00 57.85 54.40 3i4m n ARG 52 Cb 0.00 -0.61 -0.05 0.00 -1.02 0.00 0.00 32.46 30.78 3i4m n ARG 52 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3i4m s PRO 53 N -4.77 4.37 -0.86 5.56 0.04 -1.26 -3.30 135.00 134.78 3i4m s PRO 53 Ca 0.57 0.87 -0.01 0.00 0.04 0.00 0.00 61.00 62.48 3i4m s PRO 53 Cb -0.03 -3.50 0.21 0.00 0.04 0.00 0.00 34.50 31.22 3i4m s PRO 53 CO 0.38 -0.07 0.73 -0.65 0.04 0.00 0.00 177.00 177.43 3i4m s GLN 54 N 1.28 3.14 0.13 4.56 -1.52 0.37 -4.95 119.66 122.67 3i4m s GLN 54 Ca 0.36 -3.28 -0.20 0.00 -1.95 0.00 0.00 55.36 50.29 3i4m s GLN 54 Cb -0.17 -3.87 -0.01 0.00 -0.22 0.00 0.00 33.01 28.74 3i4m s GLN 54 CO 0.16 -1.27 1.70 0.00 -0.25 0.00 0.00 175.29 175.63 3i4m h ARG 55 N 5.92 0.00 0.00 2.91 3.08 -1.91 -0.18 114.38 124.20 3i4m h ARG 55 Ca 0.15 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 3i4m h ARG 55 Cb 0.80 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.85 3i4m h ARG 55 CO 0.83 0.00 0.02 1.17 -1.07 0.00 0.00 179.97 180.92 3i4m n LYS 56 N -5.21 0.00 -0.34 0.04 4.81 -1.25 0.11 118.16 116.32 3i4m n LYS 56 Ca -0.02 0.11 0.09 0.00 -0.87 0.00 0.00 58.31 57.62 3i4m n LYS 56 Cb 0.14 -1.52 0.26 0.00 0.02 0.00 0.00 35.03 33.93 3i4m n LYS 56 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45 3i4m n MET 57 N -1.06 2.97 -0.03 1.64 1.56 -0.08 -4.37 117.12 117.75 3i4m n MET 57 Ca 0.00 -2.48 -0.03 0.00 -0.27 0.00 0.00 57.70 54.92 3i4m n MET 57 Cb 0.02 -1.52 -0.04 0.00 2.15 0.00 0.00 33.22 33.82 3i4m n MET 57 CO 0.00 0.00 0.00 -1.33 -0.73 0.00 0.00 175.97 173.91 3i4m n MET 58 N 0.99 2.67 -1.41 2.12 2.81 0.31 -4.88 117.12 119.73 3i4m n MET 58 Ca 0.20 0.00 -0.49 0.00 -1.81 0.00 0.00 57.70 55.60 3i4m n MET 58 Cb 0.61 -1.14 -0.12 0.00 -0.71 0.00 0.00 33.22 31.86 3i4m n MET 58 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 3i4m n SER 59 N -2.28 0.81 0.00 7.83 7.64 -1.22 -4.88 113.62 121.52 3i4m n SER 59 Ca -0.09 0.34 0.00 0.00 1.01 0.00 0.00 58.87 60.13 3i4m n SER 59 Cb 0.67 -1.00 0.00 0.00 -1.01 0.00 0.00 64.21 62.87 3i4m n SER 59 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 3i4m n PHE 60 N 9.70 0.00 -3.54 1.43 -0.00 -0.73 -4.90 117.46 119.42 3i4m n PHE 60 Ca 0.57 0.00 -0.11 0.00 -0.00 0.00 0.00 57.45 57.92 3i4m n PHE 60 Cb 0.06 0.00 -0.04 0.00 -0.00 0.00 0.00 39.48 39.50 3i4m n PHE 60 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.76 175.62 3i4m s GLN 61 N 2.21 0.74 0.34 3.97 0.74 -1.26 -1.92 119.66 124.49 3i4m s GLN 61 Ca 0.00 -0.02 -0.00 0.00 0.05 0.00 0.00 55.36 55.39 3i4m s GLN 61 Cb 0.00 0.35 0.00 0.00 1.10 0.00 0.00 33.01 34.46 3i4m s GLN 61 CO 0.00 -0.27 0.45 0.00 -0.55 0.00 0.00 175.29 174.92 3i4m n ALA 62 N 0.36 -0.17 -2.96 1.58 0.00 -1.18 -5.02 120.51 113.12 3i4m n ALA 62 Ca -0.11 -1.66 -0.10 0.00 0.00 0.00 0.00 53.44 51.58 3i4m n ALA 62 Cb 0.59 1.34 -0.05 0.00 0.00 0.00 0.00 19.45 21.33 3i4m n ALA 62 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3i4m s ASN 63 N -3.17 -0.13 -0.74 0.00 0.01 -1.26 -3.58 114.94 106.07 3i4m s ASN 63 Ca 0.30 -0.53 -0.16 0.00 -0.71 0.00 0.00 52.86 51.76 3i4m s ASN 63 Cb -0.01 0.48 -0.20 0.00 0.41 0.00 0.00 41.25 41.93 3i4m s ASN 63 CO 0.22 -0.90 1.82 -2.65 -1.51 0.00 0.00 177.10 174.08 3i4m n PRO 64 N -0.23 0.00 -1.66 -0.60 -0.02 -1.26 0.19 135.00 131.42 3i4m n PRO 64 Ca -0.12 0.00 -0.53 0.00 -2.02 0.00 0.00 63.50 60.83 3i4m n PRO 64 Cb 0.63 -0.95 -0.06 0.00 -0.02 0.00 0.00 33.50 33.10 3i4m n PRO 64 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3i4m n THR 65 N 4.92 0.19 0.00 3.45 -2.24 -1.23 -4.63 114.28 114.74 3i4m n THR 65 Ca 0.49 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 62.24 3i4m n THR 65 Cb 0.06 -1.18 0.00 0.00 -2.10 0.00 0.00 70.33 67.11 3i4m n THR 65 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3i4m n GLU 66 N 4.19 0.00 -0.11 -0.78 2.13 -1.26 0.26 120.64 125.07 3i4m n GLU 66 Ca 0.22 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.97 3i4m n GLU 66 Cb 0.19 0.00 0.01 0.00 0.27 0.00 0.00 31.44 31.91 3i4m n GLU 66 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 3i4m h GLU 67 N 0.00 0.34 -0.63 5.31 4.81 -1.99 -2.41 114.58 120.00 3i4m h GLU 67 Ca 0.00 -0.02 0.18 0.00 -0.13 0.00 0.00 59.36 59.39 3i4m h GLU 67 Cb 0.00 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 3i4m h GLU 67 CO 0.00 0.22 0.71 0.77 -0.73 0.00 0.00 179.01 179.98 3i4m h SER 68 N 0.35 0.00 1.51 1.04 0.02 0.33 2.03 113.55 118.83 3i4m h SER 68 Ca 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 3i4m h SER 68 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 3i4m h SER 68 CO -0.12 0.00 0.00 0.40 -1.14 0.00 0.00 176.83 175.97 3i4m h ILE 69 N 0.00 0.00 0.00 3.27 2.04 -1.38 -2.97 117.51 118.47 3i4m h ILE 69 Ca 0.30 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.58 3i4m h ILE 69 Cb 1.71 1.56 0.00 0.00 -0.74 0.00 0.00 36.82 39.34 3i4m h ILE 69 CO -0.00 0.00 0.00 -0.24 0.00 0.00 0.00 178.15 177.91 3i4m n SER 70 N -2.49 0.00 -0.30 1.72 2.88 0.69 -2.91 113.62 113.21 3i4m n SER 70 Ca 0.05 0.02 0.10 0.00 -1.33 0.00 0.00 58.87 57.71 3i4m n SER 70 Cb 0.43 0.00 0.26 0.00 -0.75 0.00 0.00 64.21 64.15 3i4m n SER 70 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 3i4m h LYS 71 N 0.00 0.52 -4.22 -1.46 1.57 -1.75 -3.26 116.57 107.97 3i4m h LYS 71 Ca 0.00 -0.03 -0.73 0.00 -1.87 0.00 0.00 60.65 58.02 3i4m h LYS 71 Cb 0.00 -0.12 -0.29 0.00 0.08 0.00 0.00 32.23 31.90 3i4m h LYS 71 CO 0.00 0.34 -0.36 -0.06 -0.57 0.00 0.00 179.45 178.80 3i4m s PHE 72 N -5.93 3.44 0.00 -1.35 0.40 -1.12 -4.83 117.98 108.59 3i4m s PHE 72 Ca -0.12 -1.92 0.00 0.00 -0.60 0.00 0.00 56.93 54.29 3i4m s PHE 72 Cb 0.23 -3.51 0.00 0.00 0.51 0.00 0.00 43.02 40.25 3i4m s PHE 72 CO 0.78 -0.99 0.07 -2.30 0.70 0.00 0.00 175.22 173.49 3i4m n PRO 73 N 4.78 0.00 -0.11 0.24 -0.02 -1.14 -3.56 135.00 135.18 3i4m n PRO 73 Ca -0.06 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 3i4m n PRO 73 Cb 0.41 -0.57 0.00 0.00 -0.02 0.00 0.00 33.50 33.31 3i4m n PRO 73 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3i4m n ASP 74 N -0.10 1.47 -4.58 2.55 5.75 -1.26 -4.64 116.55 115.74 3i4m n ASP 74 Ca 0.00 -1.18 -0.40 0.00 -0.01 0.00 0.00 54.79 53.20 3i4m n ASP 74 Cb 0.00 -0.30 -0.03 0.00 -1.03 0.00 0.00 41.12 39.76 3i4m n ASP 74 CO 0.00 0.00 0.00 -0.32 -0.11 0.00 0.00 177.20 176.77 3i4m s MET 75 N 1.12 2.62 0.67 0.11 1.75 -1.23 -4.88 119.30 119.45 3i4m s MET 75 Ca 0.00 1.72 -0.12 0.00 -1.25 0.00 0.00 55.69 56.04 3i4m s MET 75 Cb 0.00 -4.48 -0.08 0.00 2.84 0.00 0.00 34.83 33.11 3i4m s MET 75 CO 0.00 -2.68 -0.65 0.41 -0.65 0.00 0.00 175.02 171.44 3i4m n GLY 76 N 5.88 -1.75 3.53 2.11 0.00 -1.26 -4.67 105.19 109.02 3i4m n GLY 76 Ca 0.33 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 3i4m n GLY 76 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i4m s SER 77 N -0.92 6.23 0.23 1.61 0.01 -1.26 -4.52 113.70 115.09 3i4m s SER 77 Ca 0.15 -0.33 -0.25 0.00 1.31 0.00 0.00 55.95 56.83 3i4m s SER 77 Cb 0.05 -2.23 -0.09 0.00 0.21 0.00 0.00 66.02 63.96 3i4m s SER 77 CO 0.27 -0.49 0.83 -0.22 0.41 0.00 0.00 173.24 174.05 3i4m s LEU 78 N 2.21 4.47 0.01 2.44 0.20 -1.23 -2.34 118.68 124.44 3i4m s LEU 78 Ca 0.14 1.69 0.01 0.00 0.69 0.00 0.00 54.13 56.66 3i4m s LEU 78 Cb -0.16 -3.61 -0.01 0.00 -0.43 0.00 0.00 46.19 41.98 3i4m s LEU 78 CO 0.13 0.08 -0.03 0.86 -0.29 0.00 0.00 176.35 177.10 3i4m s TRP 79 N -1.38 0.27 -0.03 5.38 -0.11 -0.21 -3.08 118.94 119.78 3i4m s TRP 79 Ca 0.42 -0.23 0.04 0.00 1.22 0.00 0.00 56.10 57.56 3i4m s TRP 79 Cb -0.21 -0.17 -0.01 0.00 -1.50 0.00 0.00 33.47 31.58 3i4m s TRP 79 CO 0.25 -0.06 -0.16 0.08 -4.62 0.00 0.00 176.95 172.44 3i4m s VAL 80 N -0.60 1.27 -0.01 5.86 1.01 -0.81 -2.01 120.40 125.11 3i4m s VAL 80 Ca -0.05 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.28 3i4m s VAL 80 Cb -0.04 -1.08 0.01 0.00 0.00 0.00 0.00 36.38 35.27 3i4m s VAL 80 CO -0.00 0.37 0.01 -0.70 0.00 0.00 0.00 175.10 174.77 3i4m s GLU 81 N -0.11 0.06 0.23 2.72 2.12 -1.26 -1.77 118.70 120.69 3i4m s GLU 81 Ca 0.01 0.06 0.10 0.00 0.36 0.00 0.00 54.97 55.49 3i4m s GLU 81 Cb -0.09 -0.18 -0.04 0.00 0.26 0.00 0.00 34.13 34.08 3i4m s GLU 81 CO 0.01 -0.06 -0.10 -0.06 -0.54 0.00 0.00 175.26 174.51 3i4m s PHE 82 N 0.47 2.56 -0.03 5.30 0.40 -1.26 -1.54 117.98 123.89 3i4m s PHE 82 Ca -0.04 -0.25 0.01 0.00 -0.60 0.00 0.00 56.93 56.05 3i4m s PHE 82 Cb -0.06 -1.19 0.02 0.00 0.51 0.00 0.00 43.02 42.29 3i4m s PHE 82 CO -0.01 0.59 -0.04 0.00 0.70 0.00 0.00 175.22 176.45 3i4m n ASP 84 N 3.74 3.00 -4.07 0.00 9.92 -1.26 -4.37 116.55 123.51 3i4m n ASP 84 Ca -0.22 -1.80 -0.35 0.00 -0.53 0.00 0.00 54.79 51.88 3i4m n ASP 84 Cb 0.53 -0.55 -0.08 0.00 -0.64 0.00 0.00 41.12 40.37 3i4m n ASP 84 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 3i4m s GLU 85 N 0.20 2.93 0.00 -1.24 2.02 -1.26 -4.93 118.70 116.42 3i4m s GLU 85 Ca 0.00 -3.08 0.00 0.00 0.02 0.00 0.00 54.97 51.91 3i4m s GLU 85 Cb 0.00 -3.80 0.00 0.00 0.10 0.00 0.00 34.13 30.43 3i4m s GLU 85 CO 0.00 -1.24 0.10 -2.30 0.02 0.00 0.00 175.26 171.84 3i4m n PRO 86 N 2.60 0.00 -0.69 0.39 -0.02 -1.26 0.22 135.00 136.24 3i4m n PRO 86 Ca 0.17 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.65 3i4m n PRO 86 Cb 0.37 -1.16 -0.01 0.00 -0.02 0.00 0.00 33.50 32.68 3i4m n PRO 86 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3i4m n SER 87 N -0.47 -0.03 0.00 2.55 2.88 -1.26 -3.18 113.62 114.10 3i4m n SER 87 Ca 0.00 -1.59 0.00 0.00 -1.33 0.00 0.00 58.87 55.95 3i4m n SER 87 Cb 0.00 -0.06 0.00 0.00 -0.75 0.00 0.00 64.21 63.40 3i4m n SER 87 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 3i4m n VAL 88 N 0.06 0.00 -4.38 2.46 0.31 0.13 -4.69 118.33 112.22 3i4m n VAL 88 Ca -0.03 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.08 3i4m n VAL 88 Cb 0.67 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.52 3i4m n VAL 88 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3i4m s GLY 89 N 0.00 2.33 0.00 2.92 0.00 -1.26 -2.88 107.32 108.43 3i4m s GLY 89 Ca 0.00 -1.67 0.00 0.00 0.00 0.00 0.00 44.72 43.05 3i4m s GLY 89 CO 0.00 -1.63 0.26 1.55 0.00 0.00 0.00 173.10 173.27 3i4m n VAL 90 N -0.70 0.00 -0.00 1.40 3.14 -1.26 -1.56 118.33 119.34 3i4m n VAL 90 Ca 0.01 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.38 3i4m n VAL 90 Cb 0.64 -0.81 -0.00 0.00 -1.06 0.00 0.00 33.84 32.61 3i4m n VAL 90 CO 0.00 0.00 0.00 0.50 -6.46 0.00 0.00 176.83 170.87 3i4m h LYS 91 N 0.00 -0.06 0.00 1.45 1.63 -2.00 -3.18 116.57 114.41 3i4m h LYS 91 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 3i4m h LYS 91 Cb 0.00 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.64 3i4m h LYS 91 CO 0.00 -0.04 0.00 2.41 -3.45 0.00 0.00 179.45 178.37 3i4m n THR 92 N -3.75 0.00 0.00 1.00 -1.04 -0.60 -4.13 114.28 105.75 3i4m n THR 92 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 3i4m n THR 92 Cb 0.02 -0.61 0.00 0.00 -1.82 0.00 0.00 70.33 67.93 3i4m n THR 92 CO 0.00 0.00 0.00 0.80 -0.64 0.00 0.00 175.07 175.23 3i4m n MET 93 N -0.75 0.00 -0.45 -2.82 0.00 -1.19 -2.69 117.12 109.22 3i4m n MET 93 Ca 0.03 0.00 0.36 0.00 0.00 0.00 0.00 57.70 58.10 3i4m n MET 93 Cb 0.02 -0.34 0.56 0.00 0.00 0.00 0.00 33.22 33.45 3i4m n MET 93 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 3i4m n LYS 94 N 0.00 0.00 -0.02 2.12 3.00 -1.26 0.32 118.16 122.33 3i4m n LYS 94 Ca 0.00 0.83 -0.03 0.00 -0.00 0.00 0.00 58.31 59.11 3i4m n LYS 94 Cb 0.00 -1.96 -0.02 0.00 0.00 0.00 0.00 35.03 33.05 3i4m n LYS 94 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 3i4m h THR 95 N 0.00 0.00 0.71 3.15 2.02 -1.73 -2.53 112.91 114.53 3i4m h THR 95 Ca 0.64 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.79 3i4m h THR 95 Cb 2.78 0.00 0.01 0.00 -1.74 0.00 0.00 68.15 69.20 3i4m h THR 95 CO -0.01 0.00 -0.34 0.15 0.37 0.00 0.00 175.52 175.69 3i4m h PHE 96 N -0.10 -0.88 0.00 3.16 3.57 0.01 -2.80 116.94 119.89 3i4m h PHE 96 Ca 0.01 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.49 3i4m h PHE 96 Cb 0.14 0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.17 3i4m h PHE 96 CO -0.57 -0.55 0.00 0.28 -2.23 0.00 0.00 178.31 175.24 3i4m n VAL 97 N -4.96 0.00 -0.16 1.41 0.31 -1.08 -0.86 118.33 112.99 3i4m n VAL 97 Ca -0.12 0.88 0.23 0.00 -0.01 0.00 0.00 64.34 65.31 3i4m n VAL 97 Cb 0.38 -1.32 0.63 0.00 -0.91 0.00 0.00 33.84 32.61 3i4m n VAL 97 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3i4m h ILE 98 N 0.00 0.65 -0.25 2.52 2.04 -1.63 -0.54 117.51 120.30 3i4m h ILE 98 Ca 0.00 -0.06 0.06 0.00 1.00 0.00 0.00 64.86 65.86 3i4m h ILE 98 Cb 0.00 0.47 -0.06 0.00 -0.74 0.00 0.00 36.82 36.49 3i4m h ILE 98 CO 0.00 0.03 -0.16 -0.74 0.00 0.00 0.00 178.15 177.28 3i4m h HIS 99 N 0.17 -0.39 0.00 1.37 2.76 -0.71 0.95 115.15 119.29 3i4m h HIS 99 Ca 0.40 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.60 3i4m h HIS 99 Cb 1.32 0.21 0.00 0.00 1.55 0.00 0.00 27.41 30.49 3i4m h HIS 99 CO -0.00 -0.23 0.00 -0.89 -1.30 0.00 0.00 177.93 175.51 3i4m n ILE 100 N -5.32 0.01 -0.01 6.26 5.41 -0.32 -0.87 119.36 124.51 3i4m n ILE 100 Ca -0.01 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.63 3i4m n ILE 100 Cb 0.23 -0.51 -0.14 0.00 -0.71 0.00 0.00 39.64 38.52 3i4m n ILE 100 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 3i4m n GLN 101 N -1.34 0.66 -0.04 0.38 7.27 0.71 -1.72 117.38 123.30 3i4m n GLN 101 Ca 0.12 0.29 -0.21 0.00 0.07 0.00 0.00 57.00 57.27 3i4m n GLN 101 Cb 0.27 -1.78 -0.13 0.00 2.41 0.00 0.00 30.24 31.01 3i4m n GLN 101 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 3i4m h GLU 102 N 0.02 0.15 0.00 3.69 5.08 0.83 -3.26 114.58 121.09 3i4m h GLU 102 Ca -0.31 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 57.79 3i4m h GLU 102 Cb 2.02 0.10 0.00 0.00 0.50 0.00 0.00 28.75 31.36 3i4m h GLU 102 CO 0.08 1.12 0.00 1.63 -1.00 0.00 0.00 179.01 180.85 3i4m n LYS 103 N -4.04 0.02 -3.56 2.33 4.76 -0.05 -4.88 118.16 112.74 3i4m n LYS 103 Ca -0.28 0.36 -0.17 0.00 -2.87 0.00 0.00 58.31 55.35 3i4m n LYS 103 Cb 0.84 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.53 3i4m n LYS 103 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3i4m n ASN 104 N -1.46 -5.77 0.00 4.39 4.05 -1.15 -5.01 115.26 110.30 3i4m n ASN 104 Ca 0.02 -0.67 0.00 0.00 0.45 0.00 0.00 54.58 54.38 3i4m n ASN 104 Cb 0.07 -2.79 0.00 0.00 1.23 0.00 0.00 39.78 38.28 3i4m n ASN 104 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 177.26 174.70 3i4m n PHE 105 N -2.30 0.00 0.00 1.20 0.99 -0.70 -4.88 117.46 111.76 3i4m n PHE 105 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.23 3i4m n PHE 105 Cb 0.63 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.11 3i4m n PHE 105 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.76 177.70 3i4m n GLN 106 N 0.00 0.00 -3.90 -1.08 7.27 -1.18 -4.54 117.38 113.96 3i4m n GLN 106 Ca 0.00 0.00 -0.30 0.00 0.07 0.00 0.00 57.00 56.77 3i4m n GLN 106 Cb 0.00 0.00 -0.14 0.00 2.41 0.00 0.00 30.24 32.51 3i4m n GLN 106 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 3i4m s THR 107 N 0.00 2.11 -0.90 1.69 2.01 -0.99 -3.08 115.64 116.48 3i4m s THR 107 Ca 0.00 -2.76 -0.10 0.00 0.31 0.00 0.00 61.69 59.14 3i4m s THR 107 Cb 0.00 -2.50 0.23 0.00 0.01 0.00 0.00 72.50 70.25 3i4m s THR 107 CO 0.00 -0.76 0.84 -0.83 -0.69 0.00 0.00 174.62 173.17 3i4m s GLY 108 N 0.30 2.85 0.90 4.40 0.00 -1.00 -1.04 107.32 113.73 3i4m s GLY 108 Ca 0.15 -3.51 -0.13 0.00 0.00 0.00 0.00 44.72 41.22 3i4m s GLY 108 CO -0.04 1.26 1.23 1.39 0.00 0.00 0.00 173.10 176.94 3i4m n ILE 109 N 3.42 0.00 -3.65 0.90 5.41 -0.85 0.88 119.36 125.47 3i4m n ILE 109 Ca 0.17 -1.04 -0.03 0.00 1.00 0.00 0.00 62.75 62.85 3i4m n ILE 109 Cb 0.43 -1.42 -0.06 0.00 -0.71 0.00 0.00 39.64 37.88 3i4m n ILE 109 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 176.55 176.67 3i4m s PHE 110 N -3.66 -0.05 -0.47 1.39 5.36 -1.17 -4.24 117.98 115.14 3i4m s PHE 110 Ca 0.71 0.11 0.04 0.00 -0.96 0.00 0.00 56.93 56.84 3i4m s PHE 110 Cb -0.02 0.49 0.12 0.00 -0.34 0.00 0.00 43.02 43.27 3i4m s PHE 110 CO 0.50 -0.03 0.20 0.08 -1.46 0.00 0.00 175.22 174.50 3i4m s VAL 111 N -0.27 2.51 0.24 3.12 1.01 -0.59 -1.44 120.40 124.97 3i4m s VAL 111 Ca 0.08 -3.02 -0.27 0.00 0.00 0.00 0.00 61.98 58.77 3i4m s VAL 111 Cb -0.04 -2.78 -0.09 0.00 0.00 0.00 0.00 36.38 33.48 3i4m s VAL 111 CO -0.13 -0.74 0.87 -0.72 0.00 0.00 0.00 175.10 174.38 3i4m s TYR 112 N 0.08 3.87 -0.06 5.22 -0.85 -0.72 -4.13 117.35 120.76 3i4m s TYR 112 Ca 0.15 1.76 -0.15 0.00 -0.52 0.00 0.00 57.07 58.31 3i4m s TYR 112 Cb -0.24 -2.87 -0.10 0.00 0.38 0.00 0.00 41.96 39.12 3i4m s TYR 112 CO -0.03 0.41 0.60 1.96 -1.52 0.00 0.00 175.55 176.98 3i4m h GLN 113 N 3.92 -0.28 0.00 -3.49 4.20 -1.84 -1.52 115.11 116.10 3i4m h GLN 113 Ca -0.46 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.27 3i4m h GLN 113 Cb 1.20 0.06 0.00 0.00 0.30 0.00 0.00 27.48 29.04 3i4m h GLN 113 CO 0.67 -0.01 0.00 -1.71 -0.67 0.00 0.00 178.83 177.11 3i4m n ASN 114 N -4.96 1.12 0.00 1.46 4.05 -1.19 -4.46 115.26 111.27 3i4m n ASN 114 Ca -0.06 -1.52 0.00 0.00 0.45 0.00 0.00 54.58 53.45 3i4m n ASN 114 Cb 0.21 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.22 3i4m n ASN 114 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 177.26 173.75 3i4m n ASN 115 N -0.26 0.00 -3.92 1.20 6.94 -1.26 -4.92 115.26 113.03 3i4m n ASN 115 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 54.58 54.46 3i4m n ASN 115 Cb 0.32 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.68 3i4m n ASN 115 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3i4m s ILE 116 N -1.80 0.05 -0.13 1.53 1.01 -1.26 -3.90 121.20 116.71 3i4m s ILE 116 Ca 0.00 -1.28 -0.29 0.00 0.00 0.00 0.00 60.65 59.08 3i4m s ILE 116 Cb 0.00 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.60 3i4m s ILE 116 CO 0.00 -0.23 1.64 -0.89 0.00 0.00 0.00 174.94 175.46 3i4m s THR 117 N -3.96 3.63 -0.48 2.92 2.01 -1.14 -4.85 115.64 113.78 3i4m s THR 117 Ca 0.16 0.74 0.11 0.00 0.31 0.00 0.00 61.69 63.02 3i4m s THR 117 Cb 0.02 -3.56 0.11 0.00 0.01 0.00 0.00 72.50 69.08 3i4m s THR 117 CO 0.00 -0.15 1.30 -2.65 -0.69 0.00 0.00 174.62 172.43 3i4m n PRO 118 N 7.37 0.07 -0.07 4.92 -0.02 -1.26 0.01 135.00 146.02 3i4m n PRO 118 Ca 0.18 0.55 -0.10 0.00 -2.02 0.00 0.00 63.50 62.11 3i4m n PRO 118 Cb 0.44 -1.79 -0.15 0.00 -0.02 0.00 0.00 33.50 31.97 3i4m n PRO 118 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3i4m n SER 119 N -1.87 0.44 0.10 2.55 7.64 -1.26 -4.12 113.62 117.10 3i4m n SER 119 Ca -0.01 0.17 -0.05 0.00 1.01 0.00 0.00 58.87 60.00 3i4m n SER 119 Cb 0.08 0.49 -0.02 0.00 -1.01 0.00 0.00 64.21 63.75 3i4m n SER 119 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i4m h ALA 120 N 0.96 -0.45 -1.05 -0.43 0.00 -0.79 -3.27 119.26 114.24 3i4m h ALA 120 Ca -0.44 -0.07 0.36 0.00 0.00 0.00 0.00 54.91 54.76 3i4m h ALA 120 Cb 2.14 0.12 -0.10 0.00 0.00 0.00 0.00 17.79 19.95 3i4m h ALA 120 CO 0.05 -0.43 0.68 -1.33 0.00 0.00 0.00 179.25 178.22 3i4m n MET 121 N -3.90 -0.03 -0.03 0.00 2.81 -0.01 -0.25 117.12 115.72 3i4m n MET 121 Ca -0.04 0.93 0.00 0.00 -1.81 0.00 0.00 57.70 56.78 3i4m n MET 121 Cb 0.12 -1.84 0.00 0.00 -0.71 0.00 0.00 33.22 30.79 3i4m n MET 121 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3i4m n LYS 122 N -4.14 0.44 -1.52 0.03 5.02 -1.23 -2.24 118.16 114.52 3i4m n LYS 122 Ca 0.30 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.60 3i4m n LYS 122 Cb 1.18 -1.28 0.00 0.00 -0.02 0.00 0.00 35.03 34.92 3i4m n LYS 122 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3i4m n LEU 123 N 0.89 0.44 0.01 -0.35 4.77 0.66 -4.88 117.00 118.54 3i4m n LEU 123 Ca 0.00 -2.12 -0.20 0.00 -0.03 0.00 0.00 56.01 53.66 3i4m n LEU 123 Cb 0.22 0.04 -0.14 0.00 -2.33 0.00 0.00 43.42 41.21 3i4m n LEU 123 CO 0.00 0.85 -0.06 0.58 -1.33 0.00 0.00 177.39 177.43 3i4m h VAL 124 N 6.26 1.40 -0.06 4.08 2.07 -1.67 -3.25 116.25 125.07 3i4m h VAL 124 Ca -0.32 -2.45 -0.00 0.00 0.82 0.00 0.00 66.70 64.74 3i4m h VAL 124 Cb 1.70 3.05 -0.00 0.00 -1.52 0.00 0.00 31.29 34.52 3i4m h VAL 124 CO -0.01 0.67 0.01 -0.81 0.02 0.00 0.00 177.57 177.46 3i4m n PRO 125 N -4.16 1.38 0.24 1.57 -0.04 -1.26 -3.94 135.00 128.79 3i4m n PRO 125 Ca -0.17 -0.33 0.14 0.00 -0.04 0.00 0.00 63.50 63.10 3i4m n PRO 125 Cb 0.78 -1.54 0.40 0.00 -0.04 0.00 0.00 33.50 33.10 3i4m n PRO 125 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3i4m h SER 126 N 0.39 0.00 -2.00 3.54 4.64 -1.91 -3.37 113.55 114.84 3i4m h SER 126 Ca 0.01 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 3i4m h SER 126 Cb 0.70 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.39 3i4m h SER 126 CO 0.06 0.00 -0.99 2.30 -0.87 0.00 0.00 176.83 177.33 3i4m n ILE 127 N -3.04 1.12 -2.60 0.95 -5.35 -1.25 -5.10 119.36 104.09 3i4m n ILE 127 Ca 0.03 -4.82 -0.39 0.00 -0.27 0.00 0.00 62.75 57.30 3i4m n ILE 127 Cb 0.43 -0.61 -0.05 0.00 -1.74 0.00 0.00 39.64 37.66 3i4m n ILE 127 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 3i4m s PRO 128 N -2.88 4.55 0.00 6.28 0.04 -1.26 -3.38 135.00 138.34 3i4m s PRO 128 Ca 0.42 1.59 0.00 0.00 0.04 0.00 0.00 61.00 63.05 3i4m s PRO 128 Cb 0.34 -2.97 0.00 0.00 0.04 0.00 0.00 34.50 31.91 3i4m s PRO 128 CO -0.10 0.19 0.00 -0.35 0.04 0.00 0.00 177.00 176.79 3i4m n PRO 129 N 0.81 0.00 0.00 0.56 -0.04 -1.26 -5.08 135.00 129.99 3i4m n PRO 129 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 3i4m n PRO 129 Cb 0.47 -0.26 0.00 0.00 -0.04 0.00 0.00 33.50 33.67 3i4m n PRO 129 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i4m n ALA 130 N -3.00 0.00 -2.64 0.55 0.00 -1.22 -4.88 120.51 109.32 3i4m n ALA 130 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 3i4m n ALA 130 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 3i4m n ALA 130 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3i4m s THR 131 N 0.00 3.59 -0.09 0.00 -4.23 -1.18 -4.52 115.64 109.21 3i4m s THR 131 Ca 0.00 -1.67 0.03 0.00 -1.18 0.00 0.00 61.69 58.87 3i4m s THR 131 Cb 0.00 -3.06 -0.01 0.00 1.34 0.00 0.00 72.50 70.77 3i4m s THR 131 CO 0.00 -0.30 -0.19 0.27 -0.54 0.00 0.00 174.62 173.87 3i4m s ILE 132 N -2.30 2.60 0.00 2.99 -4.36 -1.26 -2.37 121.20 116.50 3i4m s ILE 132 Ca 0.34 -0.85 -0.02 0.00 -0.26 0.00 0.00 60.65 59.87 3i4m s ILE 132 Cb -0.06 -2.03 -0.04 0.00 1.25 0.00 0.00 42.46 41.59 3i4m s ILE 132 CO 0.23 0.55 0.16 -0.70 0.24 0.00 0.00 174.94 175.42 3i4m s GLU 133 N 0.06 3.33 -0.09 0.37 2.12 0.25 -4.96 118.70 119.78 3i4m s GLU 133 Ca -0.08 -0.39 0.04 0.00 0.36 0.00 0.00 54.97 54.91 3i4m s GLU 133 Cb -0.15 -3.02 0.00 0.00 0.26 0.00 0.00 34.13 31.22 3i4m s GLU 133 CO 0.05 0.66 -0.21 -0.08 -0.54 0.00 0.00 175.26 175.14 3i4m s THR 134 N -1.32 1.81 0.10 -1.70 -1.32 -1.26 -3.02 115.64 108.94 3i4m s THR 134 Ca 0.27 -0.88 0.03 0.00 -1.21 0.00 0.00 61.69 59.91 3i4m s THR 134 Cb -0.12 -1.58 -0.04 0.00 -1.51 0.00 0.00 72.50 69.25 3i4m s THR 134 CO 0.19 0.51 -0.09 -0.36 -2.21 0.00 0.00 174.62 172.65 3i4m s PHE 135 N 0.39 1.04 0.16 9.09 0.40 -0.52 -4.97 117.98 123.57 3i4m s PHE 135 Ca -0.17 -0.74 0.03 0.00 -0.60 0.00 0.00 56.93 55.46 3i4m s PHE 135 Cb -0.17 -0.57 -0.04 0.00 0.51 0.00 0.00 43.02 42.75 3i4m s PHE 135 CO 0.07 -0.02 0.23 1.21 0.70 0.00 0.00 175.22 177.41 3i4m s ASN 136 N -2.71 6.05 -0.00 1.36 3.84 -1.26 -1.76 114.94 120.46 3i4m s ASN 136 Ca 0.09 0.06 -0.01 0.00 0.21 0.00 0.00 52.86 53.21 3i4m s ASN 136 Cb -0.00 -1.74 -0.00 0.00 -0.55 0.00 0.00 41.25 38.95 3i4m s ASN 136 CO -0.01 0.06 0.50 -0.33 -2.79 0.00 0.00 177.10 174.53 3i4m h GLU 137 N 2.22 -0.02 0.00 0.43 5.08 -1.49 -3.01 114.58 117.79 3i4m h GLU 137 Ca -0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 3i4m h GLU 137 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 3i4m h GLU 137 CO 0.67 -0.01 0.15 0.00 -1.00 0.00 0.00 179.01 178.81 3i4m n ALA 138 N -2.02 0.71 0.02 3.43 0.00 -1.26 0.25 120.51 121.64 3i4m n ALA 138 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 3i4m n ALA 138 Cb 0.01 -0.67 -0.14 0.00 0.00 0.00 0.00 19.45 18.65 3i4m n ALA 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i4m h ALA 139 N 1.34 0.51 -0.48 0.00 0.00 -1.95 -3.32 119.26 115.37 3i4m h ALA 139 Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 54.91 53.69 3i4m h ALA 139 Cb 0.29 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3i4m h ALA 139 CO 0.00 1.36 0.00 1.28 0.00 0.00 0.00 179.25 181.89 3i4m n LEU 140 N -3.26 2.84 -0.14 0.00 4.77 0.14 -4.39 117.00 116.96 3i4m n LEU 140 Ca -0.13 -1.37 -0.04 0.00 -0.03 0.00 0.00 56.01 54.45 3i4m n LEU 140 Cb 1.02 -0.32 0.05 0.00 -2.33 0.00 0.00 43.42 41.84 3i4m n LEU 140 CO 0.47 0.68 0.91 0.58 -1.33 0.00 0.00 177.39 178.70 3i4m h VAL 141 N 3.25 0.76 -3.33 4.08 2.07 -1.62 -3.32 116.25 118.14 3i4m h VAL 141 Ca 0.00 -0.08 -0.65 0.00 0.82 0.00 0.00 66.70 66.79 3i4m h VAL 141 Cb 0.74 0.52 -0.17 0.00 -1.52 0.00 0.00 31.29 30.85 3i4m h VAL 141 CO 0.00 0.04 -0.77 -0.69 0.02 0.00 0.00 177.57 176.17 3i4m s VAL 142 N -6.15 2.89 -0.23 2.57 1.01 -1.26 -3.86 120.40 115.37 3i4m s VAL 142 Ca -0.13 -1.67 -0.16 0.00 0.00 0.00 0.00 61.98 60.02 3i4m s VAL 142 Cb 0.14 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 3i4m s VAL 142 CO 0.72 -0.03 0.40 0.21 0.00 0.00 0.00 175.10 176.40 3i4m s ASN 143 N -2.52 6.38 0.14 3.32 3.84 -1.26 -4.95 114.94 119.90 3i4m s ASN 143 Ca 0.21 0.45 -0.10 0.00 0.21 0.00 0.00 52.86 53.63 3i4m s ASN 143 Cb -0.09 -2.23 -0.04 0.00 -0.55 0.00 0.00 41.25 38.34 3i4m s ASN 143 CO 0.12 -0.12 1.45 0.16 -2.79 0.00 0.00 177.10 175.92 3i4m h ILE 144 N 5.16 1.28 -1.05 -5.21 3.07 -1.96 -3.09 117.51 115.71 3i4m h ILE 144 Ca -0.34 -1.67 0.27 0.00 1.55 0.00 0.00 64.86 64.67 3i4m h ILE 144 Cb 1.16 1.55 -0.09 0.00 -0.27 0.00 0.00 36.82 39.17 3i4m h ILE 144 CO 0.70 0.55 0.68 0.71 -1.05 0.00 0.00 178.15 179.74 3i4m h THR 145 N 0.67 0.51 0.00 0.16 1.35 -1.93 0.40 112.91 114.07 3i4m h THR 145 Ca 0.03 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 3i4m h THR 145 Cb 1.08 0.13 0.00 0.00 -1.73 0.00 0.00 68.15 67.63 3i4m h THR 145 CO 0.11 0.06 0.00 0.45 -0.25 0.00 0.00 175.52 175.89 3i4m h HIS 146 N 0.35 0.00 -2.94 4.73 3.86 -1.86 -3.44 115.15 115.85 3i4m h HIS 146 Ca 0.59 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 59.26 3i4m h HIS 146 Cb 1.57 0.00 0.07 0.00 1.06 0.00 0.00 27.41 30.12 3i4m h HIS 146 CO -0.00 0.00 0.90 1.58 0.86 0.00 0.00 177.93 181.27 3i4m n HIS 147 N -2.32 2.72 -0.43 2.45 -0.00 0.14 -4.85 115.22 112.93 3i4m n HIS 147 Ca 0.02 0.20 0.34 0.00 -0.00 0.00 0.00 57.72 58.28 3i4m n HIS 147 Cb 0.21 -2.61 0.55 0.00 -0.00 0.00 0.00 29.99 28.15 3i4m n HIS 147 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 3i4m n GLU 148 N 2.86 -0.02 -0.11 1.57 2.13 -1.26 -1.39 120.64 124.43 3i4m n GLU 148 Ca 0.12 0.88 -0.21 0.00 0.66 0.00 0.00 57.16 58.62 3i4m n GLU 148 Cb 0.35 -1.86 -0.10 0.00 0.27 0.00 0.00 31.44 30.10 3i4m n GLU 148 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3i4m n LEU 149 N -3.86 1.88 -4.69 4.31 4.77 -1.26 -4.91 117.00 113.23 3i4m n LEU 149 Ca 0.32 0.43 -0.43 0.00 -0.03 0.00 0.00 56.01 56.29 3i4m n LEU 149 Cb 1.32 -0.92 -0.03 0.00 -2.33 0.00 0.00 43.42 41.46 3i4m n LEU 149 CO 0.22 0.22 1.41 0.52 -1.33 0.00 0.00 177.39 178.43 3i4m n VAL 150 N -4.42 0.25 -2.65 4.08 0.31 -0.48 -4.98 118.33 110.43 3i4m n VAL 150 Ca -0.33 -0.04 -0.21 0.00 -0.01 0.00 0.00 64.34 63.75 3i4m n VAL 150 Cb 0.66 -1.97 0.05 0.00 -0.91 0.00 0.00 33.84 31.67 3i4m n VAL 150 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3i4m s PRO 151 N 2.22 2.44 0.23 5.55 0.04 -1.26 -4.68 135.00 139.53 3i4m s PRO 151 Ca 0.81 -0.86 -0.30 0.00 0.04 0.00 0.00 61.00 60.69 3i4m s PRO 151 Cb -0.54 -2.48 -0.09 0.00 0.04 0.00 0.00 34.50 31.43 3i4m s PRO 151 CO 0.38 -0.80 1.01 -1.59 0.04 0.00 0.00 177.00 176.04 3i4m s LYS 152 N -4.79 4.74 0.17 4.56 -2.85 -1.26 -4.94 119.74 115.37 3i4m s LYS 152 Ca 0.58 1.61 0.02 0.00 -1.00 0.00 0.00 55.97 57.18 3i4m s LYS 152 Cb -0.10 -3.26 0.02 0.00 -2.06 0.00 0.00 37.83 32.43 3i4m s LYS 152 CO 0.39 0.33 0.14 0.72 0.10 0.00 0.00 175.35 177.04 3i4m n HIS 153 N 1.66 -1.40 -3.56 1.78 8.25 -1.26 -2.30 115.22 118.39 3i4m n HIS 153 Ca -0.01 -0.72 -0.00 0.00 -0.26 0.00 0.00 57.72 56.73 3i4m n HIS 153 Cb 0.46 -0.14 -0.06 0.00 1.12 0.00 0.00 29.99 31.37 3i4m n HIS 153 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3i4m s ILE 154 N -0.77 -0.12 1.19 1.59 1.01 -1.25 -4.80 121.20 118.05 3i4m s ILE 154 Ca 0.11 0.00 -0.17 0.00 0.00 0.00 0.00 60.65 60.59 3i4m s ILE 154 Cb -0.01 -1.00 0.28 0.00 0.01 0.00 0.00 42.46 41.74 3i4m s ILE 154 CO 0.07 0.00 1.06 -0.13 0.00 0.00 0.00 174.94 175.94 3i4m s ARG 155 N 1.59 -1.13 -0.13 2.79 0.52 -1.26 -1.60 118.95 119.73 3i4m s ARG 155 Ca -0.07 0.23 -0.05 0.00 -0.52 0.00 0.00 55.73 55.33 3i4m s ARG 155 Cb -0.04 -1.58 0.07 0.00 0.52 0.00 0.00 34.95 33.92 3i4m s ARG 155 CO -0.15 -3.71 0.26 -0.51 0.02 0.00 0.00 175.30 171.21 3i4m s LEU 156 N -7.04 -0.28 0.52 2.53 1.43 -1.23 -4.77 118.68 109.85 3i4m s LEU 156 Ca 0.69 0.53 -0.20 0.00 -1.03 0.00 0.00 54.13 54.12 3i4m s LEU 156 Cb -0.15 0.67 -0.09 0.00 0.03 0.00 0.00 46.19 46.65 3i4m s LEU 156 CO 0.58 -0.25 0.70 -1.54 0.23 0.00 0.00 176.35 176.07 3i4m n SER 157 N 5.35 -0.27 0.31 2.29 3.41 -1.26 -4.48 113.62 118.96 3i4m n SER 157 Ca -0.06 0.83 0.10 0.00 -0.26 0.00 0.00 58.87 59.48 3i4m n SER 157 Cb 0.50 -1.23 0.54 0.00 -0.26 0.00 0.00 64.21 63.75 3i4m n SER 157 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3i4m h SER 158 N 0.61 0.00 0.08 4.04 4.64 -1.99 0.32 113.55 121.25 3i4m h SER 158 Ca -0.45 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3i4m h SER 158 Cb 1.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 3i4m h SER 158 CO 0.50 0.00 -0.04 0.44 -0.87 0.00 0.00 176.83 176.86 3i4m h ASP 159 N 0.00 -0.09 -1.11 4.97 3.32 -1.95 -1.90 116.42 119.66 3i4m h ASP 159 Ca 0.00 0.00 0.31 0.00 0.02 0.00 0.00 57.03 57.36 3i4m h ASP 159 Cb 1.01 0.02 -0.06 0.00 0.22 0.00 0.00 39.33 40.52 3i4m h ASP 159 CO 0.00 0.36 0.77 -0.33 -1.72 0.00 0.00 179.24 178.32 3i4m h GLU 160 N -0.96 0.12 0.12 3.56 5.08 -0.74 0.15 114.58 121.92 3i4m h GLU 160 Ca -0.01 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3i4m h GLU 160 Cb 0.08 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3i4m h GLU 160 CO 0.02 0.08 -0.06 -0.22 -1.00 0.00 0.00 179.01 177.83 3i4m h LYS 161 N 0.13 -0.16 -0.27 2.33 3.64 -1.10 -2.05 116.57 119.10 3i4m h LYS 161 Ca 0.56 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 60.03 3i4m h LYS 161 Cb 1.96 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.81 3i4m h LYS 161 CO -0.11 -0.10 0.41 -0.09 -2.27 0.00 0.00 179.45 177.29 3i4m h ARG 162 N -0.71 0.00 0.09 1.90 2.43 -0.78 1.33 114.38 118.64 3i4m h ARG 162 Ca -0.02 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 58.90 3i4m h ARG 162 Cb 0.12 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.67 3i4m h ARG 162 CO 0.03 0.00 -1.16 1.49 -1.51 0.00 0.00 179.97 178.82 3i4m h GLU 163 N 0.00 0.21 0.00 0.20 4.57 -0.78 -1.71 114.58 117.06 3i4m h GLU 163 Ca 0.13 -0.34 -0.01 0.00 -1.18 0.00 0.00 59.36 57.96 3i4m h GLU 163 Cb 0.94 0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 29.65 3i4m h GLU 163 CO -0.00 1.15 -0.03 1.25 -1.18 0.00 0.00 179.01 180.20 3i4m h LEU 164 N 0.06 0.00 0.04 1.64 5.85 0.25 -1.62 115.31 121.52 3i4m h LEU 164 Ca -0.10 0.00 -0.38 0.00 0.84 0.00 0.00 57.88 58.24 3i4m h LEU 164 Cb 1.89 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.87 3i4m h LEU 164 CO 0.18 0.03 -2.31 0.18 -0.34 0.00 0.00 178.44 176.19 3i4m n LEU 165 N -3.16 2.77 0.28 2.25 4.77 -0.66 -3.60 117.00 119.65 3i4m n LEU 165 Ca -0.00 0.02 0.16 0.00 -0.03 0.00 0.00 56.01 56.15 3i4m n LEU 165 Cb 0.29 -0.96 0.90 0.00 -2.33 0.00 0.00 43.42 41.32 3i4m n LEU 165 CO 0.27 0.87 1.13 0.50 -1.33 0.00 0.00 177.39 178.83 3i4m h LYS 166 N -0.09 0.00 -0.13 3.23 3.64 -1.28 0.20 116.57 122.14 3i4m h LYS 166 Ca -0.54 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.84 3i4m h LYS 166 Cb 1.90 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.72 3i4m h LYS 166 CO -0.07 0.00 0.00 0.54 -2.27 0.00 0.00 179.45 177.65 3i4m n ARG 167 N -3.83 2.00 -0.05 1.90 5.12 -0.62 -4.13 116.66 117.06 3i4m n ARG 167 Ca -0.02 -1.48 0.00 0.00 -1.93 0.00 0.00 57.85 54.42 3i4m n ARG 167 Cb 0.12 -1.46 0.00 0.00 -1.16 0.00 0.00 32.46 29.97 3i4m n ARG 167 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 3i4m n TYR 168 N 0.74 0.00 -4.22 -1.55 0.53 -0.09 -5.00 117.16 107.57 3i4m n TYR 168 Ca 0.17 -0.09 -0.36 0.00 -1.02 0.00 0.00 57.90 56.60 3i4m n TYR 168 Cb 0.45 -0.01 -0.03 0.00 -1.03 0.00 0.00 39.34 38.72 3i4m n TYR 168 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 3i4m n ARG 169 N -0.10 -3.12 -3.81 -0.72 1.74 0.51 -4.91 116.66 106.26 3i4m n ARG 169 Ca 0.00 0.37 -0.28 0.00 -0.77 0.00 0.00 57.85 57.17 3i4m n ARG 169 Cb 0.48 -5.06 -0.03 0.00 -1.02 0.00 0.00 32.46 26.83 3i4m n ARG 169 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3i4m s LEU 170 N -7.26 4.28 0.30 0.55 1.43 -1.09 -5.07 118.68 111.83 3i4m s LEU 170 Ca 0.71 0.32 0.07 0.00 -1.03 0.00 0.00 54.13 54.19 3i4m s LEU 170 Cb -0.39 -3.06 -0.02 0.00 0.03 0.00 0.00 46.19 42.74 3i4m s LEU 170 CO 0.93 0.02 0.33 -0.54 0.23 0.00 0.00 176.35 177.32 3i4m s LYS 171 N -3.15 3.01 0.20 1.70 -0.14 -1.26 -4.81 119.74 115.29 3i4m s LYS 171 Ca 0.37 -1.06 -0.11 0.00 -1.36 0.00 0.00 55.97 53.81 3i4m s LYS 171 Cb -0.11 -2.67 0.26 0.00 -1.68 0.00 0.00 37.83 33.62 3i4m s LYS 171 CO 0.28 0.22 1.72 1.49 -0.76 0.00 0.00 175.35 178.30 3i4m h GLU 172 N 1.19 0.30 0.41 1.68 4.57 -1.99 -3.12 114.58 117.61 3i4m h GLU 172 Ca -0.47 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 57.67 3i4m h GLU 172 Cb 1.25 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.77 3i4m h GLU 172 CO 0.58 0.20 -0.25 0.66 -1.18 0.00 0.00 179.01 179.02 3i4m h SER 173 N 0.31 -0.62 0.00 1.04 4.64 -2.02 -2.97 113.55 113.92 3i4m h SER 173 Ca 0.29 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 3i4m h SER 173 Cb 0.39 0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3i4m h SER 173 CO -0.34 -0.38 0.35 0.00 -0.87 0.00 0.00 176.83 175.59 3i4m n GLN 174 N -3.85 0.00 -3.23 4.77 6.02 -1.18 -4.42 117.38 115.49 3i4m n GLN 174 Ca -0.07 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.53 3i4m n GLN 174 Cb 0.25 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.96 3i4m n GLN 174 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3i4m s LEU 175 N -1.47 4.37 0.32 1.08 1.43 -1.12 -4.96 118.68 118.32 3i4m s LEU 175 Ca 0.00 1.06 -0.29 0.00 -1.03 0.00 0.00 54.13 53.86 3i4m s LEU 175 Cb 0.00 -2.86 -0.12 0.00 0.03 0.00 0.00 46.19 43.24 3i4m s LEU 175 CO 0.00 0.06 1.50 -2.65 0.23 0.00 0.00 176.35 175.49 3i4m n PRO 176 N 3.08 2.55 -4.14 1.29 -0.02 -1.26 -4.72 135.00 131.79 3i4m n PRO 176 Ca -0.07 0.90 -0.26 0.00 -2.02 0.00 0.00 63.50 62.06 3i4m n PRO 176 Cb 0.51 -2.63 -0.06 0.00 -0.02 0.00 0.00 33.50 31.30 3i4m n PRO 176 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3i4m s ARG 177 N -1.16 2.69 -0.10 -0.52 0.52 -1.26 -0.86 118.95 118.26 3i4m s ARG 177 Ca 0.60 -1.00 0.02 0.00 -0.52 0.00 0.00 55.73 54.82 3i4m s ARG 177 Cb -0.52 -2.51 0.01 0.00 0.52 0.00 0.00 34.95 32.46 3i4m s ARG 177 CO 0.55 0.46 -0.14 -1.50 0.02 0.00 0.00 175.30 174.69 3i4m s ILE 178 N -1.81 1.42 0.78 1.52 2.07 0.11 -4.81 121.20 120.48 3i4m s ILE 178 Ca 0.30 -0.60 -0.16 0.00 -1.41 0.00 0.00 60.65 58.78 3i4m s ILE 178 Cb -0.09 -1.31 -0.07 0.00 0.13 0.00 0.00 42.46 41.12 3i4m s ILE 178 CO 0.22 0.43 0.12 0.00 -1.91 0.00 0.00 174.94 173.80 3i4m n GLN 179 N 4.19 0.09 0.19 3.50 1.13 -1.26 -1.89 117.38 123.33 3i4m n GLN 179 Ca -0.19 0.06 0.09 0.00 -1.94 0.00 0.00 57.00 55.02 3i4m n GLN 179 Cb 0.51 -1.52 0.12 0.00 0.11 0.00 0.00 30.24 29.45 3i4m n GLN 179 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 3i4m h ARG 180 N -0.63 0.00 0.00 -1.09 2.43 -1.94 -3.04 114.38 110.11 3i4m h ARG 180 Ca -0.44 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 3i4m h ARG 180 Cb 1.34 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.89 3i4m h ARG 180 CO 0.37 0.15 -1.16 0.00 -1.51 0.00 0.00 179.97 177.82 3i4m n ALA 181 N -2.14 2.65 -0.89 2.80 0.00 -1.26 -4.55 120.51 117.11 3i4m n ALA 181 Ca 0.03 -0.29 -0.35 0.00 0.00 0.00 0.00 53.44 52.83 3i4m n ALA 181 Cb 0.59 -1.04 -0.05 0.00 0.00 0.00 0.00 19.45 18.95 3i4m n ALA 181 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3i4m n ASP 182 N -2.53 0.28 -0.36 0.00 -0.08 -1.15 -4.62 116.55 108.09 3i4m n ASP 182 Ca -0.00 0.65 -0.01 0.00 -1.51 0.00 0.00 54.79 53.92 3i4m n ASP 182 Cb 0.54 -0.50 0.05 0.00 2.34 0.00 0.00 41.12 43.55 3i4m n ASP 182 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3i4m h PRO 183 N 2.13 -0.02 -0.34 -0.67 0.11 -1.93 0.56 132.00 131.84 3i4m h PRO 183 Ca -0.27 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.74 3i4m h PRO 183 Cb 0.78 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.88 3i4m h PRO 183 CO 0.44 -0.01 -0.21 0.28 -0.21 0.00 0.00 178.00 178.29 3i4m h VAL 184 N -0.02 1.27 -0.76 3.15 2.07 -1.98 -3.08 116.25 116.90 3i4m h VAL 184 Ca 0.35 -1.27 0.17 0.00 0.82 0.00 0.00 66.70 66.78 3i4m h VAL 184 Cb 0.61 1.23 -0.13 0.00 -1.52 0.00 0.00 31.29 31.48 3i4m h VAL 184 CO -0.96 0.42 0.04 0.00 0.02 0.00 0.00 177.57 177.09 3i4m h ALA 185 N 1.20 0.83 0.12 1.67 0.00 -0.18 -1.13 119.26 121.78 3i4m h ALA 185 Ca 0.09 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 3i4m h ALA 185 Cb 0.67 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3i4m h ALA 185 CO 0.05 -0.42 -0.06 -0.07 0.00 0.00 0.00 179.25 178.75 3i4m h LEU 186 N 0.13 -0.14 0.00 0.00 -0.00 -1.39 0.92 115.31 114.83 3i4m h LEU 186 Ca 0.42 -0.30 0.00 0.00 -0.00 0.00 0.00 57.88 58.00 3i4m h LEU 186 Cb 0.75 0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.44 3i4m h LEU 186 CO -0.65 0.24 0.00 0.00 -0.00 0.00 0.00 178.44 178.04 3i4m n TYR 187 N -4.99 0.00 0.70 1.13 9.36 -0.46 0.27 117.16 123.18 3i4m n TYR 187 Ca -0.09 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.13 3i4m n TYR 187 Cb 0.23 -0.17 0.00 0.00 -0.63 0.00 0.00 39.34 38.76 3i4m n TYR 187 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 3i4m n LEU 188 N -1.80 1.47 -4.01 2.98 4.77 -1.01 -4.83 117.00 114.57 3i4m n LEU 188 Ca 0.00 -0.74 -0.41 0.00 -0.03 0.00 0.00 56.01 54.83 3i4m n LEU 188 Cb 0.00 -0.35 0.01 0.00 -2.33 0.00 0.00 43.42 40.75 3i4m n LEU 188 CO 0.00 0.27 -0.20 0.61 -1.33 0.00 0.00 177.39 176.75 3i4m n GLY 189 N 0.43 -0.97 3.69 -0.72 0.00 0.78 -4.91 105.19 103.49 3i4m n GLY 189 Ca 0.00 0.41 -0.30 0.00 0.00 0.00 0.00 46.02 46.13 3i4m n GLY 189 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i4m s LEU 190 N -6.78 2.09 -0.03 0.99 1.98 0.32 -5.00 118.68 112.25 3i4m s LEU 190 Ca 0.35 1.47 -0.15 0.00 -2.89 0.00 0.00 54.13 52.91 3i4m s LEU 190 Cb -0.20 -3.82 0.03 0.00 0.66 0.00 0.00 46.19 42.86 3i4m s LEU 190 CO 0.95 -2.83 0.34 -0.54 -1.89 0.00 0.00 176.35 172.38 3i4m s LYS 191 N -4.90 0.66 -0.59 1.98 1.02 -1.26 -4.91 119.74 111.73 3i4m s LYS 191 Ca 0.64 -0.07 -0.31 0.00 0.02 0.00 0.00 55.97 56.25 3i4m s LYS 191 Cb -0.19 0.30 -0.13 0.00 -0.52 0.00 0.00 37.83 37.28 3i4m s LYS 191 CO 0.58 -0.17 2.41 -2.13 -0.92 0.00 0.00 175.35 175.12 3i4m n ARG 192 N 1.48 0.71 0.00 1.68 0.63 -1.26 -0.97 116.66 118.93 3i4m n ARG 192 Ca -0.20 0.10 0.00 0.00 -0.92 0.00 0.00 57.85 56.83 3i4m n ARG 192 Cb 0.56 -2.45 0.00 0.00 0.45 0.00 0.00 32.46 31.02 3i4m n ARG 192 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i4m n GLY 193 N 6.40 2.14 3.66 5.14 0.00 -1.16 -4.98 105.19 116.38 3i4m n GLY 193 Ca 0.48 -0.71 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 3i4m n GLY 193 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i4m n GLU 194 N 0.00 0.98 -3.53 1.61 1.02 -0.14 -4.51 120.64 116.06 3i4m n GLU 194 Ca 0.00 0.38 -0.22 0.00 -0.02 0.00 0.00 57.16 57.30 3i4m n GLU 194 Cb 0.00 -2.30 0.00 0.00 -0.02 0.00 0.00 31.44 29.12 3i4m n GLU 194 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3i4m s VAL 195 N -1.47 2.19 -0.02 2.62 1.01 -1.26 -2.02 120.40 121.45 3i4m s VAL 195 Ca 0.78 -1.30 -0.13 0.00 0.00 0.00 0.00 61.98 61.33 3i4m s VAL 195 Cb -0.40 -2.49 0.02 0.00 0.00 0.00 0.00 36.38 33.50 3i4m s VAL 195 CO 0.45 0.00 0.28 -0.69 0.00 0.00 0.00 175.10 175.14 3i4m s VAL 196 N -2.62 0.06 -0.58 2.92 1.01 -0.33 -3.47 120.40 117.39 3i4m s VAL 196 Ca 0.47 -0.48 -0.02 0.00 0.00 0.00 0.00 61.98 61.94 3i4m s VAL 196 Cb -0.04 -0.58 0.15 0.00 0.00 0.00 0.00 36.38 35.92 3i4m s VAL 196 CO 0.28 -0.26 0.39 -0.75 0.00 0.00 0.00 175.10 174.76 3i4m s LYS 197 N -1.25 2.43 -0.57 2.72 2.20 -0.63 -2.22 119.74 122.42 3i4m s LYS 197 Ca -0.13 -2.43 -0.28 0.00 -0.36 0.00 0.00 55.97 52.78 3i4m s LYS 197 Cb -0.05 -3.67 0.00 0.00 -1.51 0.00 0.00 37.83 32.60 3i4m s LYS 197 CO 0.04 -1.15 1.53 0.42 -0.36 0.00 0.00 175.35 175.83 3i4m s ILE 198 N 0.11 3.66 -0.34 5.43 1.09 0.33 -3.92 121.20 127.55 3i4m s ILE 198 Ca 0.16 0.53 -0.10 0.00 -1.10 0.00 0.00 60.65 60.13 3i4m s ILE 198 Cb -0.21 -4.30 0.01 0.00 -1.06 0.00 0.00 42.46 36.89 3i4m s ILE 198 CO -0.03 -1.11 0.18 -0.63 -0.10 0.00 0.00 174.94 173.24 3i4m s ILE 199 N 6.76 4.58 0.18 2.92 1.01 -0.97 -1.06 121.20 134.61 3i4m s ILE 199 Ca 0.56 -0.62 0.04 0.00 0.00 0.00 0.00 60.65 60.63 3i4m s ILE 199 Cb -0.12 -3.43 -0.05 0.00 0.01 0.00 0.00 42.46 38.87 3i4m s ILE 199 CO 0.24 -0.07 -0.05 0.00 0.00 0.00 0.00 174.94 175.06 3i4m s ARG 200 N 1.58 1.16 1.43 2.79 1.70 -0.86 -4.01 118.95 122.74 3i4m s ARG 200 Ca 0.03 -1.54 -0.23 0.00 -0.47 0.00 0.00 55.73 53.52 3i4m s ARG 200 Cb -0.18 -0.56 0.37 0.00 -0.57 0.00 0.00 34.95 34.01 3i4m s ARG 200 CO 0.06 -0.02 0.93 0.15 -1.08 0.00 0.00 175.30 175.34 3i4m s LYS 201 N -3.82 -2.96 -0.29 3.89 -0.14 -1.26 0.11 119.74 115.26 3i4m s LYS 201 Ca 0.22 0.16 -0.14 0.00 -1.36 0.00 0.00 55.97 54.84 3i4m s LYS 201 Cb 0.04 -1.37 0.14 0.00 -1.68 0.00 0.00 37.83 34.97 3i4m s LYS 201 CO 0.04 -4.90 0.89 0.45 -0.76 0.00 0.00 175.35 171.07 3i4m s SER 202 N -3.11 -0.70 0.00 2.83 0.15 -1.10 -4.25 113.70 107.52 3i4m s SER 202 Ca 0.69 1.02 0.00 0.00 0.70 0.00 0.00 55.95 58.35 3i4m s SER 202 Cb -0.14 1.62 0.00 0.00 -1.71 0.00 0.00 66.02 65.79 3i4m s SER 202 CO 0.58 -0.15 0.41 -1.84 1.20 0.00 0.00 173.24 173.45 3i4m n GLU 203 N 4.62 0.51 0.04 5.44 0.28 -1.26 -0.24 120.64 130.03 3i4m n GLU 203 Ca -0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.86 3i4m n GLU 203 Cb 0.54 -1.09 0.00 0.00 1.43 0.00 0.00 31.44 32.32 3i4m n GLU 203 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 3i4m n THR 204 N -0.22 0.29 0.06 3.84 5.66 -1.26 -4.89 114.28 117.76 3i4m n THR 204 Ca 0.00 0.10 -0.02 0.00 -3.05 0.00 0.00 64.05 61.08 3i4m n THR 204 Cb 0.05 -0.77 -0.07 0.00 -1.55 0.00 0.00 70.33 67.99 3i4m n THR 204 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 175.07 172.79 3i4m h SER 205 N 0.00 0.00 0.00 1.09 4.64 -1.96 -3.47 113.55 113.85 3i4m h SER 205 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3i4m h SER 205 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3i4m h SER 205 CO 0.00 0.68 0.00 0.61 -0.87 0.00 0.00 176.83 177.25 3i4m n GLY 206 N 1.36 3.06 3.39 -0.77 0.00 0.66 -4.94 105.19 107.95 3i4m n GLY 206 Ca -0.06 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.90 3i4m n GLY 206 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i4m s ARG 207 N -0.16 0.41 -0.09 1.61 1.81 -1.26 -2.70 118.95 118.56 3i4m s ARG 207 Ca 0.00 1.15 0.03 0.00 -1.72 0.00 0.00 55.73 55.19 3i4m s ARG 207 Cb 0.00 0.46 -0.01 0.00 -0.45 0.00 0.00 34.95 34.95 3i4m s ARG 207 CO 0.00 -0.23 -0.21 -0.47 -0.68 0.00 0.00 175.30 173.72 3i4m s TYR 208 N 2.58 2.60 -0.31 -0.53 5.04 0.12 -4.90 117.35 121.96 3i4m s TYR 208 Ca -0.04 -0.80 -0.16 0.00 -2.44 0.00 0.00 57.07 53.63 3i4m s TYR 208 Cb -0.12 -1.71 -0.02 0.00 0.35 0.00 0.00 41.96 40.46 3i4m s TYR 208 CO -0.15 -0.27 0.41 0.00 -1.34 0.00 0.00 175.55 174.19 3i4m s ALA 209 N 0.14 3.53 0.04 3.97 0.00 -1.26 -2.03 121.76 126.15 3i4m s ALA 209 Ca -0.11 -0.95 0.04 0.00 0.00 0.00 0.00 51.96 50.94 3i4m s ALA 209 Cb -0.16 -2.81 -0.02 0.00 0.00 0.00 0.00 23.12 20.13 3i4m s ALA 209 CO 0.06 -0.89 -0.12 0.45 0.00 0.00 0.00 175.76 175.26 3i4m s SER 210 N 1.69 1.39 -0.08 0.00 0.15 -0.22 -5.00 113.70 111.62 3i4m s SER 210 Ca 0.15 -0.48 0.04 0.00 0.70 0.00 0.00 55.95 56.36 3i4m s SER 210 Cb -0.16 -0.06 -0.01 0.00 -1.71 0.00 0.00 66.02 64.08 3i4m s SER 210 CO 0.11 -0.04 -0.20 -0.31 1.20 0.00 0.00 173.24 174.00 3i4m s TYR 211 N -0.99 2.60 -0.11 3.44 1.51 -1.26 0.12 117.35 122.65 3i4m s TYR 211 Ca -0.02 -0.61 0.01 0.00 -1.01 0.00 0.00 57.07 55.44 3i4m s TYR 211 Cb -0.08 -1.68 0.02 0.00 -0.11 0.00 0.00 41.96 40.11 3i4m s TYR 211 CO 0.01 -0.15 -0.14 1.03 -1.11 0.00 0.00 175.55 175.19 3i4m s ARG 212 N -0.11 2.16 0.24 -0.62 1.81 -0.94 -4.09 118.95 117.40 3i4m s ARG 212 Ca -0.04 -0.53 0.02 0.00 -1.72 0.00 0.00 55.73 53.46 3i4m s ARG 212 Cb -0.14 -1.89 -0.03 0.00 -0.45 0.00 0.00 34.95 32.44 3i4m s ARG 212 CO 0.04 -0.11 0.40 -1.50 -0.68 0.00 0.00 175.30 173.45 3i4m s ILE 213 N 1.12 5.22 -0.01 1.52 2.07 -0.03 -1.18 121.20 129.90 3i4m s ILE 213 Ca -0.04 -0.67 -0.17 0.00 -1.41 0.00 0.00 60.65 58.36 3i4m s ILE 213 Cb -0.14 -3.81 -0.06 0.00 0.13 0.00 0.00 42.46 38.58 3i4m s ILE 213 CO -0.04 -0.30 0.46 0.00 -1.91 0.00 0.00 174.94 173.15