#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w4a n VAL 15 N 0.00 0.95 0.58 3.44 0.31 -1.26 -2.04 118.33 120.31 2w4a n VAL 15 Ca 0.00 0.33 0.09 0.00 -0.01 0.00 0.00 64.34 64.75 2w4a n VAL 15 Cb 0.00 -1.25 -0.12 0.00 -0.91 0.00 0.00 33.84 31.57 2w4a n VAL 15 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2w4a n PHE 16 N -2.09 0.00 0.05 3.52 0.99 -1.26 -4.81 117.46 113.87 2w4a n PHE 16 Ca 0.02 0.00 -0.11 0.00 -0.00 0.00 0.00 57.45 57.36 2w4a n PHE 16 Cb 0.18 -0.13 0.01 0.00 -1.00 0.00 0.00 39.48 38.53 2w4a n PHE 16 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.76 177.53 2w4a h SER 17 N 0.00 0.51 0.00 4.37 0.02 -1.88 -3.42 113.55 113.16 2w4a h SER 17 Ca 0.00 -0.35 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 2w4a h SER 17 Cb 0.56 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.95 2w4a h SER 17 CO 0.00 1.11 0.00 0.23 -1.14 0.00 0.00 176.83 177.03 2w4a n MET 18 N -3.82 0.00 -3.57 3.45 2.81 -1.24 -4.98 117.12 109.77 2w4a n MET 18 Ca -0.05 0.00 -0.23 0.00 -1.81 0.00 0.00 57.70 55.61 2w4a n MET 18 Cb 0.74 0.00 0.03 0.00 -0.71 0.00 0.00 33.22 33.27 2w4a n MET 18 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 2w4a n PHE 19 N 0.00 -2.17 -1.26 2.03 3.01 -1.26 -4.99 117.46 112.82 2w4a n PHE 19 Ca 0.00 0.68 -0.31 0.00 1.01 0.00 0.00 57.45 58.82 2w4a n PHE 19 Cb 0.00 -3.45 0.09 0.00 -0.01 0.00 0.00 39.48 36.11 2w4a n PHE 19 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2w4a s ASP 20 N -3.27 4.42 0.28 4.37 1.11 -1.26 -4.79 116.67 117.53 2w4a s ASP 20 Ca 0.28 1.88 0.02 0.00 0.18 0.00 0.00 52.55 54.91 2w4a s ASP 20 Cb -0.10 -2.53 0.66 0.00 1.07 0.00 0.00 42.92 42.02 2w4a s ASP 20 CO 0.84 -2.09 1.70 1.56 1.18 0.00 0.00 175.17 178.37 2w4a h GLN 21 N -1.06 0.40 0.60 8.23 4.20 -1.99 -1.54 115.11 123.96 2w4a h GLN 21 Ca -0.44 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.23 2w4a h GLN 21 Cb 1.24 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.92 2w4a h GLN 21 CO 0.51 0.27 -0.40 1.79 -0.67 0.00 0.00 178.83 180.33 2w4a h THR 22 N 0.41 0.19 -0.69 -0.54 1.35 -1.99 0.95 112.91 112.60 2w4a h THR 22 Ca 0.52 0.00 0.14 0.00 -0.55 0.00 0.00 66.41 66.52 2w4a h THR 22 Cb 0.95 0.19 -0.13 0.00 -1.73 0.00 0.00 68.15 67.43 2w4a h THR 22 CO -0.50 0.00 -0.17 1.56 -0.25 0.00 0.00 175.52 176.16 2w4a h GLN 23 N -0.95 0.00 -0.80 4.72 4.20 -1.77 -0.16 115.11 120.35 2w4a h GLN 23 Ca -0.07 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 2w4a h GLN 23 Cb 0.78 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.53 2w4a h GLN 23 CO 0.05 0.00 0.41 0.82 -0.67 0.00 0.00 178.83 179.44 2w4a h ILE 24 N 0.00 1.24 -0.38 2.54 2.04 -0.96 -1.34 117.51 120.65 2w4a h ILE 24 Ca 0.33 -0.64 -0.07 0.00 1.00 0.00 0.00 64.86 65.48 2w4a h ILE 24 Cb 0.51 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 2w4a h ILE 24 CO -0.71 0.28 -0.04 1.56 0.00 0.00 0.00 178.15 179.24 2w4a h GLN 25 N 1.12 0.70 -0.47 2.37 4.20 0.85 0.11 115.11 124.00 2w4a h GLN 25 Ca 0.28 -0.24 0.09 0.00 0.06 0.00 0.00 58.65 58.84 2w4a h GLN 25 Cb 0.07 -0.05 -0.08 0.00 0.30 0.00 0.00 27.48 27.71 2w4a h GLN 25 CO -0.04 0.82 -0.07 -0.44 -0.67 0.00 0.00 178.83 178.43 2w4a h ASP 26 N 0.52 -0.34 0.02 1.46 3.32 -0.89 0.20 116.42 120.70 2w4a h ASP 26 Ca 0.10 0.13 0.01 0.00 0.02 0.00 0.00 57.03 57.29 2w4a h ASP 26 Cb 0.53 0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.32 2w4a h ASP 26 CO 0.03 -0.12 -0.05 -0.26 -1.72 0.00 0.00 179.24 177.11 2w4a h PHE 27 N 0.04 -0.13 -0.55 4.55 0.05 -1.15 -0.64 116.94 119.11 2w4a h PHE 27 Ca 0.23 0.00 0.10 0.00 3.82 0.00 0.00 57.97 62.12 2w4a h PHE 27 Cb 0.35 0.06 -0.08 0.00 2.00 0.00 0.00 35.95 38.28 2w4a h PHE 27 CO -0.36 -0.08 0.12 0.87 -0.18 0.00 0.00 178.31 178.68 2w4a h LYS 28 N -0.10 0.25 -0.32 1.51 1.57 0.19 0.73 116.57 120.41 2w4a h LYS 28 Ca 0.02 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2w4a h LYS 28 Cb 0.12 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 2w4a h LYS 28 CO -0.04 0.17 0.17 0.93 -0.57 0.00 0.00 179.45 180.10 2w4a h GLU 29 N 0.26 0.46 -0.73 3.15 5.08 -0.95 -1.05 114.58 120.80 2w4a h GLU 29 Ca 0.28 -0.06 0.10 0.00 -1.00 0.00 0.00 59.36 58.68 2w4a h GLU 29 Cb 0.39 -0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.49 2w4a h GLU 29 CO -0.36 0.40 0.37 0.00 -1.00 0.00 0.00 179.01 178.43 2w4a h ALA 30 N 1.03 1.02 0.63 3.43 0.00 -0.42 -0.99 119.26 123.95 2w4a h ALA 30 Ca 0.11 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2w4a h ALA 30 Cb 0.09 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.83 2w4a h ALA 30 CO -0.02 -0.03 -0.30 0.74 0.00 0.00 0.00 179.25 179.64 2w4a h PHE 31 N 0.62 -0.78 -0.10 0.00 0.05 -0.68 -2.17 116.94 113.87 2w4a h PHE 31 Ca 0.36 -0.02 0.03 0.00 3.82 0.00 0.00 57.97 62.16 2w4a h PHE 31 Cb 0.38 0.26 -0.00 0.00 2.00 0.00 0.00 35.95 38.59 2w4a h PHE 31 CO -0.10 -0.49 0.15 1.79 -0.18 0.00 0.00 178.31 179.49 2w4a h THR 32 N -0.85 0.34 0.01 -1.55 1.35 -0.64 0.21 112.91 111.78 2w4a h THR 32 Ca -0.09 0.00 -0.24 0.00 -0.55 0.00 0.00 66.41 65.54 2w4a h THR 32 Cb 0.65 0.87 0.01 0.00 -1.73 0.00 0.00 68.15 67.94 2w4a h THR 32 CO 0.14 0.00 -0.99 0.58 -0.25 0.00 0.00 175.52 175.01 2w4a h VAL 33 N 0.00 1.39 0.01 6.82 2.07 -0.97 -3.32 116.25 122.26 2w4a h VAL 33 Ca 0.05 -2.47 -0.20 0.00 0.82 0.00 0.00 66.70 64.90 2w4a h VAL 33 Cb 0.35 2.46 -0.02 0.00 -1.52 0.00 0.00 31.29 32.56 2w4a h VAL 33 CO -0.00 0.74 -0.93 0.40 0.02 0.00 0.00 177.57 177.80 2w4a h ILE 34 N 0.24 1.59 0.00 4.57 2.04 -0.29 -3.40 117.51 122.26 2w4a h ILE 34 Ca -0.09 -2.95 -0.31 0.00 1.00 0.00 0.00 64.86 62.50 2w4a h ILE 34 Cb 1.63 2.64 0.06 0.00 -0.74 0.00 0.00 36.82 40.41 2w4a h ILE 34 CO 0.17 0.85 1.42 0.47 0.00 0.00 0.00 178.15 181.06 2w4a n ASP 35 N -3.53 1.10 -0.28 1.72 9.92 0.50 -4.42 116.55 121.57 2w4a n ASP 35 Ca -0.02 -2.28 0.08 0.00 -0.53 0.00 0.00 54.79 52.04 2w4a n ASP 35 Cb 0.86 -0.62 0.20 0.00 -0.64 0.00 0.00 41.12 40.92 2w4a n ASP 35 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 2w4a h GLN 36 N 8.54 0.10 0.00 -1.24 4.20 -1.82 -1.93 115.11 122.96 2w4a h GLN 36 Ca 0.18 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.89 2w4a h GLN 36 Cb 0.33 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.09 2w4a h GLN 36 CO 1.51 0.06 0.00 0.09 -0.67 0.00 0.00 178.83 179.83 2w4a n ASN 37 N -5.36 0.19 0.00 1.46 3.02 -1.26 -4.92 115.26 108.38 2w4a n ASN 37 Ca 0.16 0.53 0.00 0.00 -0.03 0.00 0.00 54.58 55.24 2w4a n ASN 37 Cb 0.55 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 2w4a n ASN 37 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 2w4a n ARG 38 N -1.69 0.00 -0.32 3.52 1.85 -0.73 -4.91 116.66 114.38 2w4a n ARG 38 Ca 0.05 0.00 0.22 0.00 -1.00 0.00 0.00 57.85 57.12 2w4a n ARG 38 Cb 0.28 -3.38 0.43 0.00 -1.05 0.00 0.00 32.46 28.74 2w4a n ARG 38 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 2w4a h ASP 39 N 0.00 0.20 0.00 2.89 5.19 -1.91 -3.46 116.42 119.33 2w4a h ASP 39 Ca 0.00 0.22 0.00 0.00 -0.62 0.00 0.00 57.03 56.63 2w4a h ASP 39 Cb 0.00 0.25 0.00 0.00 0.18 0.00 0.00 39.33 39.76 2w4a h ASP 39 CO 0.00 -0.24 0.00 0.61 -3.12 0.00 0.00 179.24 176.49 2w4a n GLY 40 N -1.33 1.47 3.07 2.75 0.00 -1.26 -5.10 105.19 104.79 2w4a n GLY 40 Ca 0.29 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.01 2w4a n GLY 40 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2w4a s ILE 41 N -1.70 1.70 0.14 -0.61 1.01 -1.26 -4.06 121.20 116.42 2w4a s ILE 41 Ca 0.00 -0.74 -0.30 0.00 0.00 0.00 0.00 60.65 59.61 2w4a s ILE 41 Cb 0.00 -1.55 -0.07 0.00 0.01 0.00 0.00 42.46 40.85 2w4a s ILE 41 CO 0.00 0.48 0.98 -0.63 0.00 0.00 0.00 174.94 175.77 2w4a s ILE 42 N 1.15 4.35 0.00 2.92 1.01 -1.26 -4.96 121.20 124.41 2w4a s ILE 42 Ca -0.02 2.01 0.00 0.00 0.00 0.00 0.00 60.65 62.65 2w4a s ILE 42 Cb -0.14 -4.29 0.00 0.00 0.01 0.00 0.00 42.46 38.04 2w4a s ILE 42 CO -0.06 0.34 0.00 0.47 0.00 0.00 0.00 174.94 175.69 2w4a n ASP 43 N 2.53 1.15 -0.32 3.58 8.00 -1.26 -4.21 116.55 126.01 2w4a n ASP 43 Ca 0.02 -0.77 0.01 0.00 0.71 0.00 0.00 54.79 54.76 2w4a n ASP 43 Cb 0.48 0.00 0.14 0.00 -0.02 0.00 0.00 41.12 41.73 2w4a n ASP 43 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2w4a h LYS 44 N 0.00 1.00 0.09 -1.24 1.57 -1.97 -1.94 116.57 114.08 2w4a h LYS 44 Ca 0.00 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2w4a h LYS 44 Cb 0.00 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.08 2w4a h LYS 44 CO 0.00 0.66 -0.04 -0.44 -0.57 0.00 0.00 179.45 179.06 2w4a h ASP 45 N 1.03 -0.10 -0.57 0.86 5.19 -1.99 -0.73 116.42 120.11 2w4a h ASP 45 Ca 0.38 -0.11 0.11 0.00 -0.62 0.00 0.00 57.03 56.79 2w4a h ASP 45 Cb 0.14 0.03 -0.08 0.00 0.18 0.00 0.00 39.33 39.59 2w4a h ASP 45 CO -0.16 0.05 0.09 0.44 -3.12 0.00 0.00 179.24 176.53 2w4a h ASP 46 N -0.24 -0.06 0.25 6.45 5.19 -1.79 -1.79 116.42 124.43 2w4a h ASP 46 Ca -0.01 0.11 -0.01 0.00 -0.62 0.00 0.00 57.03 56.50 2w4a h ASP 46 Cb 0.20 0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.88 2w4a h ASP 46 CO 0.02 -0.01 -0.12 -0.07 -3.12 0.00 0.00 179.24 175.94 2w4a h LEU 47 N 0.22 -0.28 -0.38 1.55 3.38 -1.25 -2.44 115.31 116.12 2w4a h LEU 47 Ca 0.29 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.34 2w4a h LEU 47 Cb 0.43 0.07 -0.09 0.00 0.09 0.00 0.00 40.66 41.17 2w4a h LEU 47 CO -0.40 -0.20 -0.45 0.03 0.09 0.00 0.00 178.44 177.51 2w4a h ARG 48 N -0.33 -0.35 0.00 1.13 3.08 -0.27 -1.40 114.38 116.24 2w4a h ARG 48 Ca -0.03 0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 2w4a h ARG 48 Cb 0.25 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 2w4a h ARG 48 CO 0.06 -0.23 -0.09 0.93 -1.07 0.00 0.00 179.97 179.56 2w4a h GLU 49 N -0.36 0.00 -0.60 0.04 5.08 -1.52 -1.33 114.58 115.89 2w4a h GLU 49 Ca 0.12 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.41 2w4a h GLU 49 Cb 0.59 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 2w4a h GLU 49 CO -0.56 0.09 0.10 1.79 -1.00 0.00 0.00 179.01 179.43 2w4a h THR 50 N 0.00 1.26 -0.20 1.13 1.35 -0.89 0.97 112.91 116.53 2w4a h THR 50 Ca -0.00 -1.00 0.02 0.00 -0.55 0.00 0.00 66.41 64.88 2w4a h THR 50 Cb 0.85 0.74 -0.02 0.00 -1.73 0.00 0.00 68.15 67.99 2w4a h THR 50 CO 0.01 0.37 0.08 -0.26 -0.25 0.00 0.00 175.52 175.47 2w4a h PHE 51 N 0.90 0.15 -0.47 4.73 0.05 -1.09 -1.60 116.94 119.62 2w4a h PHE 51 Ca 0.18 0.01 0.05 0.00 3.82 0.00 0.00 57.97 62.03 2w4a h PHE 51 Cb 0.43 -0.04 -0.05 0.00 2.00 0.00 0.00 35.95 38.29 2w4a h PHE 51 CO 0.03 0.08 0.20 0.00 -0.18 0.00 0.00 178.31 178.44 2w4a h ALA 52 N 1.11 0.58 -0.64 2.45 0.00 -1.06 0.11 119.26 121.80 2w4a h ALA 52 Ca 0.08 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.06 2w4a h ALA 52 Cb 0.04 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2w4a h ALA 52 CO -0.07 -0.18 0.43 0.00 0.00 0.00 0.00 179.25 179.42 2w4a h ALA 53 N 1.29 1.61 0.00 0.00 0.00 -0.63 -1.13 119.26 120.40 2w4a h ALA 53 Ca 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2w4a h ALA 53 Cb 0.18 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2w4a h ALA 53 CO -0.19 0.33 0.00 -1.33 0.00 0.00 0.00 179.25 178.06 2w4a n MET 54 N -4.45 0.93 0.00 0.00 2.81 -0.62 -4.91 117.12 110.87 2w4a n MET 54 Ca 0.07 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.96 2w4a n MET 54 Cb 0.10 -1.37 0.00 0.00 -0.71 0.00 0.00 33.22 31.24 2w4a n MET 54 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2w4a n GLY 55 N 0.75 0.74 3.49 3.03 0.00 -0.43 -5.05 105.19 107.71 2w4a n GLY 55 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 2w4a n GLY 55 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2w4a s ARG 56 N -0.93 3.14 0.10 1.61 0.52 0.33 -4.85 118.95 118.86 2w4a s ARG 56 Ca 0.00 -0.63 0.22 0.00 -0.52 0.00 0.00 55.73 54.81 2w4a s ARG 56 Cb 0.00 -4.22 -0.14 0.00 0.52 0.00 0.00 34.95 31.11 2w4a s ARG 56 CO 0.00 -1.94 0.81 1.28 0.02 0.00 0.00 175.30 175.47 2w4a n LEU 57 N 8.30 0.49 -0.62 2.53 4.77 -1.26 -2.97 117.00 128.23 2w4a n LEU 57 Ca -0.01 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 2w4a n LEU 57 Cb 0.47 -0.04 0.01 0.00 -2.33 0.00 0.00 43.42 41.53 2w4a n LEU 57 CO 0.67 -0.10 0.31 0.59 -1.33 0.00 0.00 177.39 177.52 2w4a n ASN 58 N -2.48 1.44 -4.67 -1.43 3.02 -1.26 -4.93 115.26 104.95 2w4a n ASN 58 Ca -0.02 -2.03 -0.42 0.00 -0.03 0.00 0.00 54.58 52.07 2w4a n ASN 58 Cb 0.56 -0.51 -0.03 0.00 -0.61 0.00 0.00 39.78 39.19 2w4a n ASN 58 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2w4a s VAL 59 N -0.91 3.99 -0.03 2.41 1.01 -1.26 -5.03 120.40 120.57 2w4a s VAL 59 Ca 0.02 1.28 -0.12 0.00 0.00 0.00 0.00 61.98 63.16 2w4a s VAL 59 Cb 0.01 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.52 2w4a s VAL 59 CO 0.01 -0.06 0.32 -0.54 0.00 0.00 0.00 175.10 174.83 2w4a s LYS 60 N 3.00 3.75 0.30 2.72 1.02 -1.26 -5.01 119.74 124.26 2w4a s LYS 60 Ca 0.61 0.22 0.04 0.00 0.02 0.00 0.00 55.97 56.86 2w4a s LYS 60 Cb -0.27 -3.19 0.80 0.00 -0.52 0.00 0.00 37.83 34.65 2w4a s LYS 60 CO 0.22 0.71 1.62 -0.91 -0.92 0.00 0.00 175.35 176.07 2w4a h ASN 61 N 4.69 -0.08 -0.94 2.83 2.35 -2.00 -1.17 115.58 121.26 2w4a h ASN 61 Ca -0.52 0.23 0.23 0.00 -0.55 0.00 0.00 56.30 55.68 2w4a h ASN 61 Cb 1.22 0.32 -0.07 0.00 0.05 0.00 0.00 38.32 39.84 2w4a h ASN 61 CO 0.61 -0.24 0.63 -0.33 -1.65 0.00 0.00 177.43 176.45 2w4a h GLU 62 N 0.13 0.33 -0.07 0.81 5.08 -1.98 0.13 114.58 119.02 2w4a h GLU 62 Ca 0.60 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.87 2w4a h GLU 62 Cb 1.28 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2w4a h GLU 62 CO -0.74 0.22 -0.23 0.93 -1.00 0.00 0.00 179.01 178.19 2w4a h GLU 63 N 0.34 0.28 -0.24 2.33 5.08 -1.62 0.25 114.58 121.01 2w4a h GLU 63 Ca 0.50 -0.21 0.01 0.00 -1.00 0.00 0.00 59.36 58.66 2w4a h GLU 63 Cb 1.35 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.62 2w4a h GLU 63 CO -0.18 0.83 0.13 -0.07 -1.00 0.00 0.00 179.01 178.72 2w4a h LEU 64 N -0.22 0.21 -0.31 1.33 3.38 -1.15 -2.02 115.31 116.52 2w4a h LEU 64 Ca -0.01 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.97 2w4a h LEU 64 Cb 0.85 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 2w4a h LEU 64 CO 0.05 0.16 0.20 0.44 0.09 0.00 0.00 178.44 179.38 2w4a h ASP 65 N 0.28 0.35 -0.62 -0.43 5.19 -0.86 -2.28 116.42 118.04 2w4a h ASP 65 Ca 0.09 -0.01 0.11 0.00 -0.62 0.00 0.00 57.03 56.60 2w4a h ASP 65 Cb 0.00 -0.08 -0.08 0.00 0.18 0.00 0.00 39.33 39.35 2w4a h ASP 65 CO -0.05 0.25 0.19 0.00 -3.12 0.00 0.00 179.24 176.51 2w4a h ALA 66 N 1.12 0.78 0.20 3.45 0.00 -0.61 0.08 119.26 124.28 2w4a h ALA 66 Ca 0.12 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.14 2w4a h ALA 66 Cb -0.04 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 2w4a h ALA 66 CO -0.03 -0.25 -0.52 0.52 0.00 0.00 0.00 179.25 178.97 2w4a h MET 67 N 0.34 -0.77 -0.75 0.00 2.86 -1.18 -3.11 114.93 112.32 2w4a h MET 67 Ca 0.32 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 58.02 2w4a h MET 67 Cb 0.44 0.18 -0.04 0.00 0.06 0.00 0.00 31.60 32.24 2w4a h MET 67 CO -0.36 -0.52 0.48 0.82 1.06 0.00 0.00 176.91 178.40 2w4a h ILE 68 N -0.80 1.20 -0.33 -1.22 2.04 -1.04 -2.99 117.51 114.36 2w4a h ILE 68 Ca -0.02 -0.39 0.10 0.00 1.00 0.00 0.00 64.86 65.56 2w4a h ILE 68 Cb 0.78 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 2w4a h ILE 68 CO -0.24 0.20 0.60 0.11 0.00 0.00 0.00 178.15 178.81 2w4a h LYS 69 N 1.02 0.00 0.00 2.37 1.57 -0.92 -1.42 116.57 119.20 2w4a h LYS 69 Ca 0.27 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.04 2w4a h LYS 69 Cb -0.09 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 2w4a h LYS 69 CO -0.06 0.00 -0.05 0.93 -0.57 0.00 0.00 179.45 179.70 2w4a h GLU 70 N 0.00 0.00 -6.09 3.15 5.08 -1.58 -3.43 114.58 111.71 2w4a h GLU 70 Ca 0.16 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.87 2w4a h GLU 70 Cb 1.35 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.50 2w4a h GLU 70 CO -0.00 0.05 -0.59 0.00 -1.00 0.00 0.00 179.01 177.47 2w4a s ALA 71 N -4.28 3.55 -0.36 3.43 0.00 -0.54 -5.03 121.76 118.54 2w4a s ALA 71 Ca -0.04 -0.93 0.22 0.00 0.00 0.00 0.00 51.96 51.21 2w4a s ALA 71 Cb 0.13 -1.50 0.34 0.00 0.00 0.00 0.00 23.12 22.10 2w4a s ALA 71 CO 0.54 0.71 1.60 0.66 0.00 0.00 0.00 175.76 179.27 2w4a h SER 72 N 3.79 0.00 -1.17 0.00 4.64 -1.87 -3.48 113.55 115.47 2w4a h SER 72 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2w4a h SER 72 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2w4a h SER 72 CO 0.63 0.09 0.00 0.61 -0.87 0.00 0.00 176.83 177.30 2w4a n GLY 73 N 1.06 5.70 3.69 -0.77 0.00 -1.26 -5.12 105.19 108.49 2w4a n GLY 73 Ca 0.03 -1.79 -0.43 0.00 0.00 0.00 0.00 46.02 43.83 2w4a n GLY 73 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2w4a n PRO 74 N 0.00 2.10 0.00 1.61 -0.04 -1.26 -4.89 135.00 132.52 2w4a n PRO 74 Ca 0.00 0.74 0.07 0.00 -0.04 0.00 0.00 63.50 64.27 2w4a n PRO 74 Cb 0.00 -2.36 0.42 0.00 -0.04 0.00 0.00 33.50 31.52 2w4a n PRO 74 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2w4a n ILE 75 N 1.00 0.00 0.00 0.52 5.41 -1.26 -4.82 119.36 120.21 2w4a n ILE 75 Ca 0.07 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.82 2w4a n ILE 75 Cb 0.34 -0.55 0.00 0.00 -0.71 0.00 0.00 39.64 38.73 2w4a n ILE 75 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 2w4a n ASN 76 N -0.86 0.00 0.00 4.38 3.02 -1.26 -2.40 115.26 118.14 2w4a n ASN 76 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 2w4a n ASN 76 Cb 0.05 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.22 2w4a n ASN 76 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2w4a n PHE 77 N 0.00 0.00 -0.03 3.10 3.01 -1.26 0.35 117.46 122.63 2w4a n PHE 77 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.34 2w4a n PHE 77 Cb 0.00 -0.47 -0.07 0.00 -0.01 0.00 0.00 39.48 38.93 2w4a n PHE 77 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 2w4a h THR 78 N 0.00 1.22 -0.66 4.37 1.35 -1.97 -0.59 112.91 116.64 2w4a h THR 78 Ca 0.00 -0.69 0.02 0.00 -0.55 0.00 0.00 66.41 65.19 2w4a h THR 78 Cb 0.00 1.49 -0.04 0.00 -1.73 0.00 0.00 68.15 67.87 2w4a h THR 78 CO 0.00 0.20 0.42 0.58 -0.25 0.00 0.00 175.52 176.47 2w4a h VAL 79 N -0.07 1.12 0.26 6.82 2.07 -0.29 0.37 116.25 126.53 2w4a h VAL 79 Ca 0.03 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 2w4a h VAL 79 Cb 0.29 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 2w4a h VAL 79 CO 0.00 0.15 -0.27 -0.26 0.02 0.00 0.00 177.57 177.21 2w4a h PHE 80 N 0.84 -0.76 -0.87 1.57 -1.00 -1.09 -1.31 116.94 114.32 2w4a h PHE 80 Ca 0.25 0.01 0.20 0.00 2.81 0.00 0.00 57.97 61.24 2w4a h PHE 80 Cb -0.04 0.30 -0.12 0.00 3.61 0.00 0.00 35.95 39.70 2w4a h PHE 80 CO -0.04 -0.36 0.38 -0.07 -1.61 0.00 0.00 178.31 176.61 2w4a h LEU 81 N -0.54 0.34 0.11 1.54 3.38 -0.81 0.04 115.31 119.37 2w4a h LEU 81 Ca -0.03 0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2w4a h LEU 81 Cb 0.47 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2w4a h LEU 81 CO -0.04 0.04 -0.05 0.71 0.09 0.00 0.00 178.44 179.19 2w4a h THR 82 N 0.43 1.03 -0.89 0.22 1.35 -0.94 -0.11 112.91 114.00 2w4a h THR 82 Ca 0.53 -0.58 0.09 0.00 -0.55 0.00 0.00 66.41 65.90 2w4a h THR 82 Cb 0.94 1.39 -0.06 0.00 -1.73 0.00 0.00 68.15 68.69 2w4a h THR 82 CO -0.49 0.14 0.58 0.24 -0.25 0.00 0.00 175.52 175.73 2w4a h MET 83 N -0.42 0.87 0.09 4.72 2.86 -0.13 0.06 114.93 122.97 2w4a h MET 83 Ca -0.02 -0.05 -0.26 0.00 -2.06 0.00 0.00 59.70 57.31 2w4a h MET 83 Cb 0.34 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 2w4a h MET 83 CO 0.03 0.57 -1.24 0.74 1.06 0.00 0.00 176.91 178.07 2w4a h PHE 84 N 0.89 0.34 0.38 -0.22 0.05 -1.01 -3.24 116.94 114.11 2w4a h PHE 84 Ca 0.41 -0.24 -0.02 0.00 3.82 0.00 0.00 57.97 61.94 2w4a h PHE 84 Cb 0.39 -0.01 0.00 0.00 2.00 0.00 0.00 35.95 38.34 2w4a h PHE 84 CO -0.00 1.21 -0.18 0.78 -0.18 0.00 0.00 178.31 179.94 2w4a h GLY 85 N 2.06 -0.53 -0.62 -1.45 0.00 -0.72 -3.08 103.07 98.73 2w4a h GLY 85 Ca -0.12 0.20 0.36 0.00 0.00 0.00 0.00 47.33 47.76 2w4a h GLY 85 CO 0.17 -0.19 0.96 0.83 0.00 0.00 0.00 176.54 178.32 2w4a h GLU 86 N -0.59 0.00 0.00 4.80 5.08 -1.05 0.22 114.58 123.04 2w4a h GLU 86 Ca -0.05 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.18 2w4a h GLU 86 Cb 0.44 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 2w4a h GLU 86 CO 0.08 0.00 -0.90 0.87 -1.00 0.00 0.00 179.01 178.07 2w4a h LYS 87 N 0.00 0.00 -0.78 2.33 1.57 -1.58 -3.34 116.57 114.77 2w4a h LYS 87 Ca 0.59 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 59.03 2w4a h LYS 87 Cb 2.51 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 34.62 2w4a h LYS 87 CO -0.01 0.39 0.38 1.28 -0.57 0.00 0.00 179.45 180.92 2w4a n LEU 88 N -3.06 6.02 0.25 2.94 4.77 0.76 -4.78 117.00 123.90 2w4a n LEU 88 Ca -0.03 -3.46 0.06 0.00 -0.03 0.00 0.00 56.01 52.56 2w4a n LEU 88 Cb 0.77 -0.76 0.35 0.00 -2.33 0.00 0.00 43.42 41.44 2w4a n LEU 88 CO 0.41 0.97 0.93 0.11 -1.33 0.00 0.00 177.39 178.49 2w4a h LYS 89 N 1.69 0.00 -0.98 3.23 1.57 -1.60 0.28 116.57 120.76 2w4a h LYS 89 Ca 0.41 0.00 -0.43 0.00 -1.87 0.00 0.00 60.65 58.76 2w4a h LYS 89 Cb 2.44 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 34.34 2w4a h LYS 89 CO 0.83 0.00 -1.00 0.41 -0.57 0.00 0.00 179.45 179.12 2w4a n GLY 90 N -1.31 3.52 2.93 3.86 0.00 -1.26 -4.89 105.19 108.04 2w4a n GLY 90 Ca -0.01 -1.85 -0.27 0.00 0.00 0.00 0.00 46.02 43.89 2w4a n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2w4a s ALA 91 N -3.45 1.38 0.55 4.61 0.00 0.08 -5.15 121.76 119.79 2w4a s ALA 91 Ca 0.36 -0.57 -0.02 0.00 0.00 0.00 0.00 51.96 51.73 2w4a s ALA 91 Cb 0.41 -0.89 0.02 0.00 0.00 0.00 0.00 23.12 22.66 2w4a s ALA 91 CO -0.04 -0.36 0.81 -0.51 0.00 0.00 0.00 175.76 175.66 2w4a s ASP 92 N 1.57 5.43 0.49 0.00 1.01 -1.26 -4.84 116.67 119.07 2w4a s ASP 92 Ca 0.03 0.29 -0.22 0.00 0.71 0.00 0.00 52.55 53.37 2w4a s ASP 92 Cb -0.13 -1.27 -0.07 0.00 1.01 0.00 0.00 42.92 42.46 2w4a s ASP 92 CO -0.07 -1.06 1.14 -2.16 0.21 0.00 0.00 175.17 173.22 2w4a s PRO 93 N -4.82 3.65 0.26 8.23 0.04 -1.26 -4.89 135.00 136.22 2w4a s PRO 93 Ca 0.54 1.67 -0.09 0.00 0.04 0.00 0.00 61.00 63.17 2w4a s PRO 93 Cb -0.10 -2.26 0.43 0.00 0.04 0.00 0.00 34.50 32.61 2w4a s PRO 93 CO 0.41 -0.62 1.58 1.05 0.04 0.00 0.00 177.00 179.46 2w4a h GLU 94 N 1.76 0.00 -1.00 4.56 4.11 -1.98 -1.75 114.58 120.27 2w4a h GLU 94 Ca -0.50 -0.00 0.14 0.00 0.07 0.00 0.00 59.36 59.08 2w4a h GLU 94 Cb 1.25 -0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.41 2w4a h GLU 94 CO 0.59 0.00 0.62 -0.44 0.07 0.00 0.00 179.01 179.86 2w4a h ASP 95 N 0.00 0.88 -0.40 3.06 3.32 -1.98 -0.42 116.42 120.89 2w4a h ASP 95 Ca 0.44 0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.52 2w4a h ASP 95 Cb 0.70 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 2w4a h ASP 95 CO -0.92 0.43 0.09 0.58 -1.72 0.00 0.00 179.24 177.70 2w4a h VAL 96 N 0.93 1.23 -0.29 -1.35 2.07 -1.71 -1.13 116.25 116.01 2w4a h VAL 96 Ca 0.52 -0.80 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 2w4a h VAL 96 Cb 0.61 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 2w4a h VAL 96 CO -0.30 0.28 0.15 0.40 0.02 0.00 0.00 177.57 178.12 2w4a h ILE 97 N 0.50 1.13 -0.91 4.57 2.04 -1.27 -2.20 117.51 121.38 2w4a h ILE 97 Ca 0.12 -0.36 0.12 0.00 1.00 0.00 0.00 64.86 65.75 2w4a h ILE 97 Cb 0.32 0.84 -0.07 0.00 -0.74 0.00 0.00 36.82 37.17 2w4a h ILE 97 CO 0.00 0.13 0.58 0.24 0.00 0.00 0.00 178.15 179.11 2w4a h MET 98 N 0.34 0.79 -0.56 2.37 2.86 -0.87 -2.39 114.93 117.47 2w4a h MET 98 Ca 0.10 -0.05 0.07 0.00 -2.06 0.00 0.00 59.70 57.76 2w4a h MET 98 Cb 0.08 -0.18 -0.06 0.00 0.06 0.00 0.00 31.60 31.50 2w4a h MET 98 CO -0.02 0.52 0.24 0.78 1.06 0.00 0.00 176.91 179.49 2w4a h GLY 99 N 0.81 0.78 0.61 8.32 0.00 -0.55 0.60 103.07 113.65 2w4a h GLY 99 Ca 0.45 -0.14 0.06 0.00 0.00 0.00 0.00 47.33 47.69 2w4a h GLY 99 CO -0.21 0.04 0.26 0.00 0.00 0.00 0.00 176.54 176.64 2w4a h ALA 100 N 1.35 0.73 -0.08 3.60 0.00 -1.33 -0.55 119.26 122.98 2w4a h ALA 100 Ca 0.27 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 2w4a h ALA 100 Cb 0.26 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 2w4a h ALA 100 CO -0.24 -0.10 0.02 0.74 0.00 0.00 0.00 179.25 179.67 2w4a h PHE 101 N 0.50 0.13 -0.68 0.00 0.05 -1.37 -2.46 116.94 113.12 2w4a h PHE 101 Ca 0.26 -0.02 0.20 0.00 3.82 0.00 0.00 57.97 62.23 2w4a h PHE 101 Cb 0.22 -0.04 -0.03 0.00 2.00 0.00 0.00 35.95 38.10 2w4a h PHE 101 CO -0.12 0.33 0.49 0.87 -0.18 0.00 0.00 178.31 179.70 2w4a h LYS 102 N -0.10 0.00 -0.26 1.51 1.57 -0.38 0.32 116.57 119.22 2w4a h LYS 102 Ca 0.02 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.64 2w4a h LYS 102 Cb 0.26 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 2w4a h LYS 102 CO 0.00 0.00 -0.45 0.28 -0.57 0.00 0.00 179.45 178.71 2w4a h VAL 103 N 0.00 1.30 0.00 0.50 2.07 -0.96 -3.24 116.25 115.92 2w4a h VAL 103 Ca 0.32 -1.65 -0.08 0.00 0.82 0.00 0.00 66.70 66.11 2w4a h VAL 103 Cb 1.30 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 32.75 2w4a h VAL 103 CO -0.00 0.53 -0.37 -0.07 0.02 0.00 0.00 177.57 177.68 2w4a h LEU 104 N 0.52 0.00 0.00 2.57 3.38 -0.23 -3.07 115.31 118.48 2w4a h LEU 104 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2w4a h LEU 104 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2w4a h LEU 104 CO 0.10 0.37 0.00 0.47 0.09 0.00 0.00 178.44 179.47 2w4a n ASP 105 N -3.62 0.00 -0.49 -0.43 8.00 0.82 -4.89 116.55 115.94 2w4a n ASP 105 Ca -0.01 -0.65 0.43 0.00 0.71 0.00 0.00 54.79 55.27 2w4a n ASP 105 Cb 0.48 -0.00 0.74 0.00 -0.02 0.00 0.00 41.12 42.31 2w4a n ASP 105 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2w4a h PRO 106 N 0.00 0.00 -0.34 -0.24 0.13 -1.58 0.68 132.00 130.66 2w4a h PRO 106 Ca 0.00 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.21 2w4a h PRO 106 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.12 2w4a h PRO 106 CO 0.00 0.00 0.23 -0.44 -0.23 0.00 0.00 178.00 177.56 2w4a h ASP 107 N 0.00 0.10 -5.00 1.44 5.19 -1.90 -3.49 116.42 112.76 2w4a h ASP 107 Ca 0.73 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 57.14 2w4a h ASP 107 Cb 3.14 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 42.63 2w4a h ASP 107 CO -0.01 0.06 0.00 0.61 -3.12 0.00 0.00 179.24 176.79 2w4a n GLY 108 N -1.57 1.33 2.16 2.75 0.00 0.23 -5.02 105.19 105.07 2w4a n GLY 108 Ca 0.05 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 43.88 2w4a n GLY 108 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2w4a n LYS 109 N -0.32 0.00 -3.50 1.61 5.02 -1.26 -4.75 118.16 114.96 2w4a n LYS 109 Ca 0.00 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.91 2w4a n LYS 109 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 34.91 2w4a n LYS 109 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2w4a s GLY 110 N 0.00 1.93 0.74 0.72 0.00 -1.26 -5.08 107.32 104.37 2w4a s GLY 110 Ca 0.00 -0.91 -0.12 0.00 0.00 0.00 0.00 44.72 43.70 2w4a s GLY 110 CO 0.00 0.77 1.11 -1.35 0.00 0.00 0.00 173.10 173.64 2w4a s SER 111 N 1.58 5.11 1.13 1.64 1.04 -1.26 -5.01 113.70 117.93 2w4a s SER 111 Ca 0.11 1.10 -0.12 0.00 0.48 0.00 0.00 55.95 57.52 2w4a s SER 111 Cb -0.16 -1.84 0.26 0.00 0.10 0.00 0.00 66.02 64.39 2w4a s SER 111 CO 0.10 -1.55 1.05 -0.63 0.98 0.00 0.00 173.24 173.18 2w4a s ILE 112 N -3.36 2.02 -0.04 -1.02 1.01 -1.21 -4.55 121.20 114.05 2w4a s ILE 112 Ca 0.59 0.00 -0.05 0.00 0.00 0.00 0.00 60.65 61.19 2w4a s ILE 112 Cb -0.12 -2.03 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 2w4a s ILE 112 CO 0.52 -0.01 0.20 -0.54 0.00 0.00 0.00 174.94 175.11 2w4a s LYS 113 N -4.47 3.49 -0.46 2.79 1.02 -1.26 -3.01 119.74 117.84 2w4a s LYS 113 Ca 0.68 -0.18 -0.28 0.00 0.02 0.00 0.00 55.97 56.22 2w4a s LYS 113 Cb -0.25 -3.12 -0.00 0.00 -0.52 0.00 0.00 37.83 33.94 2w4a s LYS 113 CO 0.64 0.70 1.58 -1.59 -0.92 0.00 0.00 175.35 175.76 2w4a s LYS 114 N -1.60 3.30 0.00 1.68 -2.85 -1.26 -2.19 119.74 116.82 2w4a s LYS 114 Ca 0.24 0.90 0.00 0.00 -1.00 0.00 0.00 55.97 56.11 2w4a s LYS 114 Cb -0.13 -4.15 0.00 0.00 -2.06 0.00 0.00 37.83 31.49 2w4a s LYS 114 CO 0.13 -1.91 0.00 -1.13 0.10 0.00 0.00 175.35 172.54 2w4a n SER 115 N 9.99 0.00 -0.05 0.03 3.41 -1.26 -4.95 113.62 120.79 2w4a n SER 115 Ca 0.18 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.71 2w4a n SER 115 Cb 0.49 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.42 2w4a n SER 115 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 2w4a h PHE 116 N 0.00 -0.42 0.00 7.33 -1.00 -1.87 -0.34 116.94 120.64 2w4a h PHE 116 Ca 0.00 0.03 -0.14 0.00 2.81 0.00 0.00 57.97 60.67 2w4a h PHE 116 Cb 0.00 0.22 -0.02 0.00 3.61 0.00 0.00 35.95 39.76 2w4a h PHE 116 CO 0.00 -0.24 -0.68 -0.07 -1.61 0.00 0.00 178.31 175.71 2w4a h LEU 117 N -0.15 0.00 -0.06 1.54 3.38 -1.91 -2.60 115.31 115.51 2w4a h LEU 117 Ca 0.14 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.14 2w4a h LEU 117 Cb 0.36 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 2w4a h LEU 117 CO -0.34 0.67 -0.20 -0.33 0.09 0.00 0.00 178.44 178.33 2w4a h GLU 118 N 0.00 -0.28 0.64 1.13 5.08 -1.51 -0.17 114.58 119.46 2w4a h GLU 118 Ca -0.01 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 2w4a h GLU 118 Cb 1.52 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.84 2w4a h GLU 118 CO 0.09 -0.19 -0.32 0.93 -1.00 0.00 0.00 179.01 178.52 2w4a h GLU 119 N -0.29 -0.84 -0.04 2.33 5.08 -1.22 -2.39 114.58 117.20 2w4a h GLU 119 Ca 0.08 0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.50 2w4a h GLU 119 Cb 0.40 0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 2w4a h GLU 119 CO -0.23 -0.56 0.06 -0.07 -1.00 0.00 0.00 179.01 177.21 2w4a h LEU 120 N -0.88 0.00 0.07 1.33 3.38 -1.07 0.24 115.31 118.38 2w4a h LEU 120 Ca -0.08 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.63 2w4a h LEU 120 Cb 0.68 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 2w4a h LEU 120 CO 0.13 0.00 -1.17 -0.07 0.09 0.00 0.00 178.44 177.42 2w4a h LEU 121 N 0.00 0.37 0.05 1.67 3.38 -0.93 -3.37 115.31 116.47 2w4a h LEU 121 Ca 0.02 -0.38 -0.24 0.00 0.09 0.00 0.00 57.88 57.36 2w4a h LEU 121 Cb 0.13 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2w4a h LEU 121 CO -0.00 1.28 -1.17 0.71 0.09 0.00 0.00 178.44 179.35 2w4a h THR 122 N 0.08 1.53 0.00 0.22 1.35 -0.81 -2.32 112.91 112.96 2w4a h THR 122 Ca -0.11 -3.21 0.00 0.00 -0.55 0.00 0.00 66.41 62.54 2w4a h THR 122 Cb 1.89 2.83 0.00 0.00 -1.73 0.00 0.00 68.15 71.14 2w4a h THR 122 CO 0.19 0.90 0.00 0.35 -0.25 0.00 0.00 175.52 176.71 2w4a n THR 123 N -3.39 0.00 -1.62 6.82 -2.24 0.76 -4.53 114.28 110.08 2w4a n THR 123 Ca -0.05 0.05 -0.43 0.00 -2.27 0.00 0.00 64.05 61.35 2w4a n THR 123 Cb 0.98 -0.39 -0.01 0.00 -2.10 0.00 0.00 70.33 68.82 2w4a n THR 123 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2w4a n GLN 124 N 0.00 1.56 0.00 -0.78 7.27 -1.26 -4.63 117.38 119.54 2w4a n GLN 124 Ca 0.00 0.55 0.00 0.00 0.07 0.00 0.00 57.00 57.62 2w4a n GLN 124 Cb 0.00 -2.03 0.00 0.00 2.41 0.00 0.00 30.24 30.62 2w4a n GLN 124 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2w4a h ASP 126 N 0.00 0.32 0.00 0.00 -0.00 -1.89 -3.50 116.42 111.35 2w4a h ASP 126 Ca 0.00 -0.81 0.00 0.00 -0.00 0.00 0.00 57.03 56.22 2w4a h ASP 126 Cb 0.00 -0.10 0.00 0.00 -0.00 0.00 0.00 39.33 39.23 2w4a h ASP 126 CO 0.00 1.66 0.00 -1.14 -0.00 0.00 0.00 179.24 179.76 2w4a n ARG 127 N -3.90 0.00 -3.56 4.15 0.63 -1.26 -4.98 116.66 107.73 2w4a n ARG 127 Ca -0.28 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.24 2w4a n ARG 127 Cb 0.90 0.00 -0.09 0.00 0.45 0.00 0.00 32.46 33.71 2w4a n ARG 127 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 2w4a s PHE 128 N 0.00 3.35 0.49 -0.14 0.40 -0.88 -5.02 117.98 116.19 2w4a s PHE 128 Ca 0.00 -1.54 -0.23 0.00 -0.60 0.00 0.00 56.93 54.57 2w4a s PHE 128 Cb 0.00 -3.11 -0.08 0.00 0.51 0.00 0.00 43.02 40.34 2w4a s PHE 128 CO 0.00 -0.88 1.17 0.25 0.70 0.00 0.00 175.22 176.46 2w4a n THR 129 N 4.95 3.11 0.00 0.64 -2.24 -1.26 -4.30 114.28 115.18 2w4a n THR 129 Ca -0.10 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 2w4a n THR 129 Cb 0.42 -1.42 0.00 0.00 -2.10 0.00 0.00 70.33 67.24 2w4a n THR 129 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2w4a n PRO 130 N -0.44 0.00 -0.08 -0.78 -0.04 -1.26 -1.03 135.00 131.37 2w4a n PRO 130 Ca 0.10 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.43 2w4a n PRO 130 Cb 0.42 -1.48 -0.06 0.00 -0.04 0.00 0.00 33.50 32.34 2w4a n PRO 130 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2w4a h GLU 131 N 0.00 0.00 -0.58 0.54 5.08 -2.01 -3.33 114.58 114.29 2w4a h GLU 131 Ca 0.00 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.48 2w4a h GLU 131 Cb 0.00 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.14 2w4a h GLU 131 CO 0.00 0.46 -0.15 0.93 -1.00 0.00 0.00 179.01 179.25 2w4a h GLU 132 N -1.00 -0.01 -0.80 2.33 5.08 -1.60 -2.40 114.58 116.19 2w4a h GLU 132 Ca -0.15 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 2w4a h GLU 132 Cb 0.85 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.06 2w4a h GLU 132 CO -0.09 -0.01 0.48 0.82 -1.00 0.00 0.00 179.01 179.21 2w4a h ILE 133 N -0.01 1.22 -0.70 3.13 2.04 -1.29 0.07 117.51 121.97 2w4a h ILE 133 Ca 0.28 -0.50 -0.07 0.00 1.00 0.00 0.00 64.86 65.57 2w4a h ILE 133 Cb 0.43 0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 2w4a h ILE 133 CO -0.60 0.24 0.16 0.11 0.00 0.00 0.00 178.15 178.06 2w4a h LYS 134 N 1.09 1.14 -0.71 2.37 1.57 -1.56 -1.33 116.57 119.14 2w4a h LYS 134 Ca 0.29 -0.28 0.04 0.00 -1.87 0.00 0.00 60.65 58.82 2w4a h LYS 134 Cb -0.04 -0.15 -0.05 0.00 0.08 0.00 0.00 32.23 32.08 2w4a h LYS 134 CO -0.05 1.01 0.44 -0.91 -0.57 0.00 0.00 179.45 179.36 2w4a h ASN 135 N 1.07 0.71 0.20 0.86 2.35 -1.11 -1.96 115.58 117.70 2w4a h ASN 135 Ca 0.22 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.99 2w4a h ASN 135 Cb 0.39 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.57 2w4a h ASN 135 CO 0.00 0.48 -0.44 0.24 -1.65 0.00 0.00 177.43 176.06 2w4a h MET 136 N 0.84 -0.71 -0.38 0.81 2.86 -0.45 0.11 114.93 118.01 2w4a h MET 136 Ca 0.29 0.05 0.11 0.00 -2.06 0.00 0.00 59.70 58.09 2w4a h MET 136 Cb 0.05 0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 2w4a h MET 136 CO -0.12 -0.47 0.28 -1.49 1.06 0.00 0.00 176.91 176.17 2w4a h TRP 137 N -0.73 0.00 0.21 -0.22 -0.00 -0.88 0.32 115.95 114.64 2w4a h TRP 137 Ca -0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 58.89 58.57 2w4a h TRP 137 Cb 0.72 0.00 0.03 0.00 -0.00 0.00 0.00 29.16 29.91 2w4a h TRP 137 CO -0.35 0.00 -1.40 0.00 -0.00 0.00 0.00 178.44 176.70 2w4a h ALA 138 N 1.80 -0.08 0.00 1.49 0.00 -1.11 -2.67 119.26 118.68 2w4a h ALA 138 Ca 0.18 -0.85 0.00 0.00 0.00 0.00 0.00 54.91 54.24 2w4a h ALA 138 Cb 0.74 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2w4a h ALA 138 CO -0.00 0.76 -0.92 0.00 0.00 0.00 0.00 179.25 179.09 2w4a n ALA 139 N -2.67 3.13 -3.27 0.00 0.00 0.37 -3.61 120.51 114.46 2w4a n ALA 139 Ca -0.14 -0.34 -0.25 0.00 0.00 0.00 0.00 53.44 52.70 2w4a n ALA 139 Cb 1.07 -1.05 -0.07 0.00 0.00 0.00 0.00 19.45 19.41 2w4a n ALA 139 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2w4a n PHE 140 N -2.10 2.35 -0.74 0.00 3.01 0.11 -5.04 117.46 115.04 2w4a n PHE 140 Ca 0.02 -3.94 0.05 0.00 1.01 0.00 0.00 57.45 54.58 2w4a n PHE 140 Cb 0.45 -0.48 -0.02 0.00 -0.01 0.00 0.00 39.48 39.42 2w4a n PHE 140 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 2w4a n PRO 141 N 0.78 -0.82 0.00 -1.08 -0.02 -1.01 -3.90 135.00 128.96 2w4a n PRO 141 Ca 0.27 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 2w4a n PRO 141 Cb 0.46 -1.35 0.00 0.00 -0.02 0.00 0.00 33.50 32.59 2w4a n PRO 141 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2w4a n PRO 142 N -2.98 0.00 -0.25 0.52 -0.01 -1.26 -1.43 135.00 129.59 2w4a n PRO 142 Ca -0.02 0.00 -0.11 0.00 -0.01 0.00 0.00 63.50 63.36 2w4a n PRO 142 Cb 0.36 0.00 -0.07 0.00 -0.01 0.00 0.00 33.50 33.77 2w4a n PRO 142 CO 0.00 0.00 0.00 0.38 -0.01 0.00 0.00 175.50 175.87 2w4a h ASP 143 N 0.00 -1.83 0.08 2.55 -0.00 -1.95 0.48 116.42 115.76 2w4a h ASP 143 Ca 0.00 0.27 0.00 0.00 -0.00 0.00 0.00 57.03 57.30 2w4a h ASP 143 Cb 0.00 0.80 0.00 0.00 -0.00 0.00 0.00 39.33 40.13 2w4a h ASP 143 CO 0.00 -0.33 0.00 1.62 -0.00 0.00 0.00 179.24 180.53 2w4a h VAL 144 N -0.22 0.00 0.11 4.15 3.04 -1.63 -0.00 116.25 121.70 2w4a h VAL 144 Ca 0.14 -0.04 -0.25 0.00 -1.01 0.00 0.00 66.70 65.54 2w4a h VAL 144 Cb 0.54 1.04 -0.00 0.00 -2.01 0.00 0.00 31.29 30.85 2w4a h VAL 144 CO -0.74 0.00 -1.28 0.00 -1.01 0.00 0.00 177.57 174.54 2w4a h ALA 145 N 2.00 0.14 -0.05 3.17 0.00 0.19 -3.37 119.26 121.35 2w4a h ALA 145 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 54.91 53.89 2w4a h ALA 145 Cb 0.04 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2w4a h ALA 145 CO 0.00 0.73 0.00 0.41 0.00 0.00 0.00 179.25 180.39 2w4a n GLY 146 N 1.71 -1.31 0.04 0.00 0.00 -0.04 -4.53 105.19 101.05 2w4a n GLY 146 Ca -0.23 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.84 2w4a n GLY 146 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2w4a n ASN 147 N -1.98 2.14 -3.77 1.61 5.15 -1.08 -4.91 115.26 112.42 2w4a n ASN 147 Ca 0.00 -2.56 -0.23 0.00 -0.60 0.00 0.00 54.58 51.19 2w4a n ASN 147 Cb 0.00 -0.23 -0.02 0.00 -0.53 0.00 0.00 39.78 39.00 2w4a n ASN 147 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 2w4a n VAL 148 N -0.98 -1.09 -1.00 3.44 0.31 -0.18 -3.33 118.33 115.50 2w4a n VAL 148 Ca 0.08 -0.31 -0.01 0.00 -0.01 0.00 0.00 64.34 64.09 2w4a n VAL 148 Cb 0.46 -0.96 -0.00 0.00 -0.91 0.00 0.00 33.84 32.43 2w4a n VAL 148 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2w4a n ASP 149 N -1.09 -1.31 0.08 4.52 9.92 -0.27 -4.51 116.55 123.90 2w4a n ASP 149 Ca -0.11 -0.94 0.05 0.00 -0.53 0.00 0.00 54.79 53.26 2w4a n ASP 149 Cb 0.35 -0.28 0.48 0.00 -0.64 0.00 0.00 41.12 41.03 2w4a n ASP 149 CO 0.00 0.00 0.00 1.88 0.13 0.00 0.00 177.20 179.21 2w4a h TYR 150 N 7.94 0.36 0.19 1.24 -1.99 -1.91 0.15 116.97 122.95 2w4a h TYR 150 Ca 0.01 0.01 0.01 0.00 2.00 0.00 0.00 58.73 60.75 2w4a h TYR 150 Cb 0.71 -0.12 -0.02 0.00 2.00 0.00 0.00 36.73 39.30 2w4a h TYR 150 CO 1.25 0.24 -0.23 0.87 -0.00 0.00 0.00 178.16 180.29 2w4a h LYS 151 N 0.38 -0.46 -0.04 4.88 1.57 -1.96 -0.46 116.57 120.49 2w4a h LYS 151 Ca 0.10 0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.92 2w4a h LYS 151 Cb -0.02 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 2w4a h LYS 151 CO -0.02 -0.30 -0.00 -0.91 -0.57 0.00 0.00 179.45 177.64 2w4a h ASN 152 N -0.47 -0.03 -0.65 0.86 2.35 -1.26 -1.98 115.58 114.40 2w4a h ASN 152 Ca 0.01 0.01 0.11 0.00 -0.55 0.00 0.00 56.30 55.88 2w4a h ASN 152 Cb 0.46 0.02 -0.12 0.00 0.05 0.00 0.00 38.32 38.73 2w4a h ASN 152 CO -0.08 -0.01 -0.33 0.40 -1.65 0.00 0.00 177.43 175.76 2w4a h ILE 153 N 0.01 0.16 -0.25 2.81 2.04 -0.64 -0.27 117.51 121.37 2w4a h ILE 153 Ca 0.02 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.90 2w4a h ILE 153 Cb 0.03 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.24 2w4a h ILE 153 CO -0.04 0.00 0.10 0.00 0.00 0.00 0.00 178.15 178.21 2w4a h TYR 155 N 0.23 0.71 -0.23 0.00 0.99 -0.43 -1.81 116.97 116.43 2w4a h TYR 155 Ca 0.11 -0.02 -0.15 0.00 2.00 0.00 0.00 58.73 60.66 2w4a h TYR 155 Cb 0.05 -0.23 -0.01 0.00 1.00 0.00 0.00 36.73 37.55 2w4a h TYR 155 CO -0.11 0.54 -0.49 0.28 -0.00 0.00 0.00 178.16 178.38 2w4a h VAL 156 N 0.72 1.31 -0.21 -2.88 2.07 -0.91 0.22 116.25 116.56 2w4a h VAL 156 Ca 0.18 -1.70 -0.18 0.00 0.82 0.00 0.00 66.70 65.81 2w4a h VAL 156 Cb 0.10 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 2w4a h VAL 156 CO -0.02 0.54 -0.59 0.16 0.02 0.00 0.00 177.57 177.67 2w4a h ILE 157 N 0.48 1.29 0.14 4.57 3.07 -1.15 -2.26 117.51 123.67 2w4a h ILE 157 Ca 0.02 -1.80 -0.28 0.00 1.55 0.00 0.00 64.86 64.35 2w4a h ILE 157 Cb 1.03 1.84 0.01 0.00 -0.27 0.00 0.00 36.82 39.44 2w4a h ILE 157 CO 0.10 0.57 -1.26 0.71 -1.05 0.00 0.00 178.15 177.22 2w4a h THR 158 N 0.51 1.43 -0.33 0.16 1.35 -1.39 -3.39 112.91 111.25 2w4a h THR 158 Ca -0.01 -2.88 -0.05 0.00 -0.55 0.00 0.00 66.41 62.91 2w4a h THR 158 Cb 1.21 2.90 -0.03 0.00 -1.73 0.00 0.00 68.15 70.50 2w4a h THR 158 CO 0.13 0.85 0.02 1.41 -0.25 0.00 0.00 175.52 177.67 2w4a n HIS 159 N -3.61 1.16 0.00 4.73 8.25 0.76 -5.09 115.22 121.42 2w4a n HIS 159 Ca -0.10 -1.02 0.00 0.00 -0.26 0.00 0.00 57.72 56.34 2w4a n HIS 159 Cb 1.02 -0.39 0.00 0.00 1.12 0.00 0.00 29.99 31.74 2w4a n HIS 159 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2w4a n GLY 160 N -0.54 1.25 0.12 -1.41 0.00 -0.85 -4.74 105.19 99.03 2w4a n GLY 160 Ca 0.25 -1.83 -0.14 0.00 0.00 0.00 0.00 46.02 44.30 2w4a n GLY 160 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2w4a h GLU 161 N 0.00 0.30 -0.21 1.61 5.08 -1.94 -3.37 114.58 116.06 2w4a h GLU 161 Ca 0.00 -0.42 -0.17 0.00 -1.00 0.00 0.00 59.36 57.77 2w4a h GLU 161 Cb 0.00 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2w4a h GLU 161 CO 0.00 1.15 -0.55 -0.44 -1.00 0.00 0.00 179.01 178.17 2w4a h ASP 162 N 0.13 0.85 0.00 1.42 3.32 -1.94 -3.49 116.42 116.70 2w4a h ASP 162 Ca -0.10 -0.57 0.00 0.00 0.02 0.00 0.00 57.03 56.37 2w4a h ASP 162 Cb 1.79 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 41.09 2w4a h ASP 162 CO 0.18 1.27 0.00 2.29 -1.72 0.00 0.00 179.24 181.26