#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wmu s ASP 10 N 0.00 3.90 -0.60 -0.99 -0.00 -0.88 -4.92 116.67 113.18 2wmu s ASP 10 Ca 0.00 -0.31 -0.23 0.00 -0.00 0.00 0.00 52.55 52.01 2wmu s ASP 10 Cb 0.00 -1.28 0.05 0.00 -0.00 0.00 0.00 42.92 41.69 2wmu s ASP 10 CO 0.00 0.23 0.95 -0.76 -0.00 0.00 0.00 175.17 175.59 2wmu s LEU 11 N -0.06 4.22 0.13 1.23 1.43 -1.26 -0.50 118.68 123.88 2wmu s LEU 11 Ca -0.03 -0.64 -0.15 0.00 -1.03 0.00 0.00 54.13 52.28 2wmu s LEU 11 Cb -0.14 -2.63 0.00 0.00 0.03 0.00 0.00 46.19 43.45 2wmu s LEU 11 CO 0.04 -1.32 1.63 0.58 0.23 0.00 0.00 176.35 177.51 2wmu h VAL 12 N 5.99 1.23 -3.00 -1.59 2.07 -1.33 -3.48 116.25 116.15 2wmu h VAL 12 Ca -0.27 -0.82 0.06 0.00 0.82 0.00 0.00 66.70 66.49 2wmu h VAL 12 Cb 1.07 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 31.74 2wmu h VAL 12 CO 1.13 0.29 0.23 0.00 0.02 0.00 0.00 177.57 179.24 2wmu s GLN 13 N -5.28 1.83 -0.24 1.57 -2.07 -1.23 -5.00 119.66 109.24 2wmu s GLN 13 Ca -0.13 -1.03 -0.15 0.00 -1.82 0.00 0.00 55.36 52.23 2wmu s GLN 13 Cb 0.10 0.61 -0.04 0.00 -1.09 0.00 0.00 33.01 32.60 2wmu s GLN 13 CO 0.78 -0.84 0.37 0.99 -1.32 0.00 0.00 175.29 175.26 2wmu s THR 14 N -3.78 5.20 0.30 3.63 2.01 -1.26 0.83 115.64 122.57 2wmu s THR 14 Ca 0.11 0.59 0.01 0.00 0.31 0.00 0.00 61.69 62.71 2wmu s THR 14 Cb -0.06 -3.69 0.15 0.00 0.01 0.00 0.00 72.50 68.91 2wmu s THR 14 CO 0.07 0.21 1.84 -0.07 -0.69 0.00 0.00 174.62 175.99 2wmu h LEU 15 N 8.11 0.68 0.00 4.42 3.38 0.45 -3.46 115.31 128.89 2wmu h LEU 15 Ca -0.34 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2wmu h LEU 15 Cb 1.16 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.73 2wmu h LEU 15 CO 0.68 0.70 0.00 0.61 0.09 0.00 0.00 178.44 180.51 2wmu n GLY 16 N -0.86 0.60 3.24 0.83 0.00 -1.26 -5.03 105.19 102.71 2wmu n GLY 16 Ca 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 2wmu n GLY 16 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2wmu s GLU 22 N 0.00 1.02 -0.18 1.61 -1.05 0.10 -4.90 118.70 115.31 2wmu s GLU 22 Ca 0.00 -1.36 -0.03 0.00 -0.15 0.00 0.00 54.97 53.43 2wmu s GLU 22 Cb 0.00 -0.68 -0.02 0.00 -0.44 0.00 0.00 34.13 32.99 2wmu s GLU 22 CO 0.00 0.10 -0.05 0.08 0.95 0.00 0.00 175.26 176.34 2wmu s VAL 23 N -2.91 3.60 0.06 1.83 1.01 -1.26 -1.17 120.40 121.57 2wmu s VAL 23 Ca 0.13 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 61.72 2wmu s VAL 23 Cb -0.00 -2.60 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 2wmu s VAL 23 CO 0.01 0.46 -0.15 0.00 0.00 0.00 0.00 175.10 175.42 2wmu s GLN 24 N 0.85 0.91 0.09 2.72 -2.07 -0.88 0.11 119.66 121.40 2wmu s GLN 24 Ca -0.01 -0.92 -0.31 0.00 -1.82 0.00 0.00 55.36 52.30 2wmu s GLN 24 Cb -0.15 -0.96 -0.07 0.00 -1.09 0.00 0.00 33.01 30.75 2wmu s GLN 24 CO 0.01 0.22 1.25 -1.17 -1.32 0.00 0.00 175.29 174.29 2wmu s LEU 25 N -1.55 4.38 -0.16 2.60 2.96 0.24 -1.40 118.68 125.75 2wmu s LEU 25 Ca 0.01 2.12 0.01 0.00 -0.22 0.00 0.00 54.13 56.05 2wmu s LEU 25 Cb -0.09 -3.58 0.01 0.00 0.50 0.00 0.00 46.19 43.02 2wmu s LEU 25 CO 0.02 -0.51 -0.19 0.00 -1.32 0.00 0.00 176.35 174.35 2wmu s ALA 26 N 0.95 2.36 -0.19 5.97 0.00 0.48 -0.77 121.76 130.56 2wmu s ALA 26 Ca 0.60 -1.13 -0.05 0.00 0.00 0.00 0.00 51.96 51.38 2wmu s ALA 26 Cb -0.32 -1.14 -0.03 0.00 0.00 0.00 0.00 23.12 21.63 2wmu s ALA 26 CO 0.30 -0.15 -0.00 0.08 0.00 0.00 0.00 175.76 175.99 2wmu s VAL 27 N 1.00 4.06 -0.01 0.00 1.01 0.35 -1.21 120.40 125.60 2wmu s VAL 27 Ca -0.02 -0.29 -0.30 0.00 0.00 0.00 0.00 61.98 61.37 2wmu s VAL 27 Cb -0.15 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 2wmu s VAL 27 CO -0.05 0.45 1.17 0.21 0.00 0.00 0.00 175.10 176.88 2wmu s ASN 28 N 0.74 7.10 0.09 3.32 3.84 0.19 -2.08 114.94 128.14 2wmu s ASN 28 Ca 0.00 1.87 -0.19 0.00 0.21 0.00 0.00 52.86 54.74 2wmu s ASN 28 Cb -0.14 -2.57 -0.08 0.00 -0.55 0.00 0.00 41.25 37.91 2wmu s ASN 28 CO 0.02 -0.50 1.61 0.03 -2.79 0.00 0.00 177.10 175.47 2wmu h ARG 29 N 7.13 0.35 0.40 0.43 3.08 -1.93 1.05 114.38 124.89 2wmu h ARG 29 Ca -0.38 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 59.58 2wmu h ARG 29 Cb 1.19 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.19 2wmu h ARG 29 CO 0.84 0.42 -0.19 0.28 -1.07 0.00 0.00 179.97 180.25 2wmu h VAL 30 N 0.20 0.35 -0.52 2.04 2.07 -1.99 -3.31 116.25 115.08 2wmu h VAL 30 Ca 0.07 -0.64 -0.11 0.00 0.82 0.00 0.00 66.70 66.84 2wmu h VAL 30 Cb 0.22 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 2wmu h VAL 30 CO -0.00 0.07 -0.12 0.71 0.02 0.00 0.00 177.57 178.25 2wmu h THR 31 N -1.01 1.27 0.00 2.57 1.35 -1.99 -3.47 112.91 111.62 2wmu h THR 31 Ca -0.06 -1.28 0.00 0.00 -0.55 0.00 0.00 66.41 64.53 2wmu h THR 31 Cb 0.53 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.97 2wmu h THR 31 CO 0.09 0.45 0.00 1.21 -0.25 0.00 0.00 175.52 177.02 2wmu n GLU 32 N -4.16 0.00 -2.18 4.72 4.07 0.36 -5.02 120.64 118.44 2wmu n GLU 32 Ca 0.01 0.00 -0.38 0.00 -0.06 0.00 0.00 57.16 56.73 2wmu n GLU 32 Cb 0.41 -2.19 -0.01 0.00 -0.06 0.00 0.00 31.44 29.60 2wmu n GLU 32 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 2wmu s GLU 33 N -0.20 3.84 0.25 5.31 2.02 -1.24 -4.58 118.70 124.10 2wmu s GLU 33 Ca 0.00 1.92 0.05 0.00 0.02 0.00 0.00 54.97 56.97 2wmu s GLU 33 Cb 0.00 -2.56 -0.03 0.00 0.10 0.00 0.00 34.13 31.65 2wmu s GLU 33 CO 0.00 -0.53 0.37 0.00 0.02 0.00 0.00 175.26 175.12 2wmu s ALA 34 N -1.42 3.96 0.23 5.21 0.00 -1.26 -0.64 121.76 127.84 2wmu s ALA 34 Ca 0.61 -1.25 -0.21 0.00 0.00 0.00 0.00 51.96 51.10 2wmu s ALA 34 Cb -0.32 -1.72 0.06 0.00 0.00 0.00 0.00 23.12 21.14 2wmu s ALA 34 CO 0.40 0.22 0.94 0.14 0.00 0.00 0.00 175.76 177.46 2wmu s VAL 35 N -2.00 0.00 -0.12 0.00 -7.23 -0.35 -4.65 120.40 106.05 2wmu s VAL 35 Ca 0.35 -0.73 0.00 0.00 -1.81 0.00 0.00 61.98 59.79 2wmu s VAL 35 Cb -0.09 -2.61 -0.01 0.00 0.56 0.00 0.00 36.38 34.22 2wmu s VAL 35 CO 0.29 0.00 -0.14 0.00 -0.31 0.00 0.00 175.10 174.94 2wmu s ALA 36 N -2.58 2.59 -0.14 1.32 0.00 -0.16 -0.38 121.76 122.41 2wmu s ALA 36 Ca 0.17 -0.90 -0.01 0.00 0.00 0.00 0.00 51.96 51.23 2wmu s ALA 36 Cb -0.03 -1.16 -0.02 0.00 0.00 0.00 0.00 23.12 21.91 2wmu s ALA 36 CO 0.06 0.28 -0.12 0.08 0.00 0.00 0.00 175.76 176.06 2wmu s VAL 37 N 0.27 3.17 -0.25 0.00 1.01 -0.49 -0.17 120.40 123.94 2wmu s VAL 37 Ca -0.10 -0.62 -0.07 0.00 0.00 0.00 0.00 61.98 61.19 2wmu s VAL 37 Cb -0.16 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 2wmu s VAL 37 CO 0.06 0.52 0.06 -0.75 0.00 0.00 0.00 175.10 174.99 2wmu s LYS 38 N 0.39 3.64 -0.19 2.72 2.20 0.60 -2.06 119.74 127.04 2wmu s LYS 38 Ca -0.09 -0.48 -0.03 0.00 -0.36 0.00 0.00 55.97 55.00 2wmu s LYS 38 Cb -0.16 -3.30 -0.01 0.00 -1.51 0.00 0.00 37.83 32.85 2wmu s LYS 38 CO 0.05 -0.18 -0.06 0.42 -0.36 0.00 0.00 175.35 175.22 2wmu s ILE 39 N 1.57 3.40 -0.17 5.43 1.01 -0.32 0.55 121.20 132.66 2wmu s ILE 39 Ca 0.06 -0.51 -0.06 0.00 0.00 0.00 0.00 60.65 60.14 2wmu s ILE 39 Cb -0.15 -2.51 0.08 0.00 0.01 0.00 0.00 42.46 39.90 2wmu s ILE 39 CO 0.03 0.46 0.36 0.68 0.00 0.00 0.00 174.94 176.47 2wmu s VAL 40 N 0.98 -0.56 -0.45 2.92 -7.23 0.07 0.03 120.40 116.15 2wmu s VAL 40 Ca -0.00 0.21 -0.03 0.00 -1.81 0.00 0.00 61.98 60.34 2wmu s VAL 40 Cb -0.15 -0.58 0.10 0.00 0.56 0.00 0.00 36.38 36.31 2wmu s VAL 40 CO 0.00 0.09 2.62 -0.90 -0.31 0.00 0.00 175.10 176.60 2wmu n ASP 41 N 5.38 6.54 0.00 4.85 5.68 -1.26 -1.48 116.55 136.26 2wmu n ASP 41 Ca -0.08 -3.22 0.00 0.00 -0.50 0.00 0.00 54.79 50.99 2wmu n ASP 41 Cb 0.49 -1.19 0.00 0.00 -1.14 0.00 0.00 41.12 39.28 2wmu n ASP 41 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 2wmu n ASN 51 N 0.70 0.00 -0.21 -1.12 5.15 -1.26 -4.84 115.26 113.68 2wmu n ASN 51 Ca 0.47 0.00 -0.07 0.00 -0.60 0.00 0.00 54.58 54.37 2wmu n ASN 51 Cb 0.55 0.00 0.03 0.00 -0.53 0.00 0.00 39.78 39.83 2wmu n ASN 51 CO 0.00 0.00 0.00 -0.29 1.40 0.00 0.00 177.26 178.37 2wmu h ILE 52 N 0.00 1.22 -0.47 -1.44 6.09 -1.97 2.76 117.51 123.70 2wmu h ILE 52 Ca 0.00 -0.65 -0.05 0.00 -1.37 0.00 0.00 64.86 62.80 2wmu h ILE 52 Cb 0.00 0.55 -0.02 0.00 0.47 0.00 0.00 36.82 37.82 2wmu h ILE 52 CO 0.00 0.26 0.12 0.50 -3.07 0.00 0.00 178.15 175.96 2wmu h LYS 53 N 0.81 0.76 -0.48 2.19 3.64 -2.00 0.60 116.57 122.09 2wmu h LYS 53 Ca 0.20 -0.18 -0.10 0.00 -1.27 0.00 0.00 60.65 59.30 2wmu h LYS 53 Cb 0.16 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 2wmu h LYS 53 CO -0.02 0.74 -0.10 -0.22 -2.27 0.00 0.00 179.45 177.58 2wmu h LYS 54 N 0.64 0.90 -0.65 1.90 3.64 -1.86 -1.95 116.57 119.18 2wmu h LYS 54 Ca 0.15 -0.34 -0.03 0.00 -1.27 0.00 0.00 60.65 59.16 2wmu h LYS 54 Cb 0.32 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 2wmu h LYS 54 CO 0.00 0.99 0.28 1.49 -2.27 0.00 0.00 179.45 179.94 2wmu h GLU 55 N 0.75 0.96 -0.54 1.90 4.81 0.51 0.98 114.58 123.96 2wmu h GLU 55 Ca 0.12 -0.16 -0.06 0.00 -0.13 0.00 0.00 59.36 59.13 2wmu h GLU 55 Cb 0.64 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 2wmu h GLU 55 CO 0.04 0.79 0.11 0.82 -0.73 0.00 0.00 179.01 180.05 2wmu h ILE 56 N 0.91 1.25 -0.61 2.32 2.04 -0.88 -1.22 117.51 121.33 2wmu h ILE 56 Ca 0.22 -0.91 -0.04 0.00 1.00 0.00 0.00 64.86 65.13 2wmu h ILE 56 Cb 0.18 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 2wmu h ILE 56 CO -0.02 0.33 0.22 0.00 0.00 0.00 0.00 178.15 178.68 2wmu h ILE 58 N 0.85 1.34 -0.39 0.00 2.04 -0.77 -3.15 117.51 117.43 2wmu h ILE 58 Ca 0.20 -1.98 -0.04 0.00 1.00 0.00 0.00 64.86 64.04 2wmu h ILE 58 Cb 0.24 1.96 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 2wmu h ILE 58 CO -0.01 0.61 0.08 0.78 0.00 0.00 0.00 178.15 179.61 2wmu h ASN 59 N 0.38 0.53 0.00 1.72 2.35 -1.04 -2.05 115.58 117.47 2wmu h ASN 59 Ca -0.02 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 2wmu h ASN 59 Cb 1.24 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.47 2wmu h ASN 59 CO 0.12 0.55 0.00 0.29 -1.65 0.00 0.00 177.43 176.74 2wmu n LYS 60 N -4.32 0.86 -0.06 0.81 4.76 -1.00 -2.38 118.16 116.84 2wmu n LYS 60 Ca 0.02 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.42 2wmu n LYS 60 Cb 0.20 -1.19 -0.13 0.00 -1.84 0.00 0.00 35.03 32.07 2wmu n LYS 60 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 2wmu n MET 61 N -0.69 1.16 -2.60 1.97 2.81 -0.78 -5.00 117.12 113.99 2wmu n MET 61 Ca 0.08 -0.05 -0.41 0.00 -1.81 0.00 0.00 57.70 55.51 2wmu n MET 61 Cb 0.04 -1.41 -0.04 0.00 -0.71 0.00 0.00 33.22 31.10 2wmu n MET 61 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2wmu s LEU 62 N -4.95 4.44 -0.43 4.03 1.43 -1.00 -5.02 118.68 117.19 2wmu s LEU 62 Ca -0.08 1.90 0.06 0.00 -1.03 0.00 0.00 54.13 54.98 2wmu s LEU 62 Cb 0.06 -3.59 0.22 0.00 0.03 0.00 0.00 46.19 42.91 2wmu s LEU 62 CO 0.68 -0.24 0.55 -3.20 0.23 0.00 0.00 176.35 174.36 2wmu n ASN 63 N 3.18 -0.96 -3.97 2.29 5.15 -1.26 -4.82 115.26 114.87 2wmu n ASN 63 Ca 0.05 -2.71 -0.09 0.00 -0.60 0.00 0.00 54.58 51.22 2wmu n ASN 63 Cb 0.48 0.06 -0.11 0.00 -0.53 0.00 0.00 39.78 39.68 2wmu n ASN 63 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 2wmu s HIS 64 N -0.25 0.25 -2.00 1.20 2.46 -1.26 -5.03 115.29 110.66 2wmu s HIS 64 Ca 0.33 -0.51 0.16 0.00 0.47 0.00 0.00 55.06 55.51 2wmu s HIS 64 Cb 0.12 -0.18 0.94 0.00 -0.13 0.00 0.00 32.58 33.32 2wmu s HIS 64 CO -0.15 -0.19 1.41 -0.85 -2.47 0.00 0.00 174.74 172.49 2wmu n GLU 65 N 1.64 0.70 -0.36 2.88 0.00 -1.26 -2.68 120.64 121.56 2wmu n GLU 65 Ca -0.24 0.00 0.06 0.00 0.00 0.00 0.00 57.16 56.99 2wmu n GLU 65 Cb 0.55 -1.35 0.11 0.00 0.00 0.00 0.00 31.44 30.75 2wmu n GLU 65 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2wmu n ASN 66 N -0.85 1.58 -3.94 -1.84 5.03 -1.26 -4.84 115.26 109.13 2wmu n ASN 66 Ca 0.12 -2.87 -0.19 0.00 0.87 0.00 0.00 54.58 52.51 2wmu n ASN 66 Cb 0.05 -0.38 -0.15 0.00 -1.02 0.00 0.00 39.78 38.28 2wmu n ASN 66 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2wmu s VAL 67 N -2.02 0.55 0.02 2.41 1.01 -1.09 -0.58 120.40 120.69 2wmu s VAL 67 Ca 0.25 -0.21 -0.35 0.00 0.00 0.00 0.00 61.98 61.66 2wmu s VAL 67 Cb 0.23 -0.52 -0.14 0.00 0.00 0.00 0.00 36.38 35.95 2wmu s VAL 67 CO -0.01 0.19 1.63 0.52 0.00 0.00 0.00 175.10 177.43 2wmu n VAL 68 N 3.48 0.20 -2.39 2.92 0.31 -0.24 -4.71 118.33 117.90 2wmu n VAL 68 Ca -0.20 -0.04 -0.41 0.00 -0.01 0.00 0.00 64.34 63.69 2wmu n VAL 68 Cb 0.54 -1.42 -0.04 0.00 -0.91 0.00 0.00 33.84 32.02 2wmu n VAL 68 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2wmu s LYS 69 N 2.02 4.51 -0.20 5.55 1.02 -1.26 -4.80 119.74 126.57 2wmu s LYS 69 Ca 0.86 1.86 -0.12 0.00 0.02 0.00 0.00 55.97 58.60 2wmu s LYS 69 Cb -0.80 -3.23 -0.05 0.00 -0.52 0.00 0.00 37.83 33.23 2wmu s LYS 69 CO 0.47 -0.05 0.21 0.12 -0.92 0.00 0.00 175.35 175.18 2wmu s PHE 70 N -0.20 3.39 -0.20 3.18 5.36 -1.26 0.00 117.98 128.25 2wmu s PHE 70 Ca 0.52 0.39 -0.15 0.00 -0.96 0.00 0.00 56.93 56.73 2wmu s PHE 70 Cb -0.32 -2.28 -0.08 0.00 -0.34 0.00 0.00 43.02 40.00 2wmu s PHE 70 CO 0.37 0.17 -0.33 0.66 -1.46 0.00 0.00 175.22 174.64 2wmu n TYR 71 N 3.88 0.00 -3.90 10.12 4.01 0.67 -5.00 117.16 126.95 2wmu n TYR 71 Ca -0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 2wmu n TYR 71 Cb 0.52 -0.65 0.00 0.00 -0.31 0.00 0.00 39.34 38.90 2wmu n TYR 71 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wmu n GLY 72 N 1.53 0.54 3.30 2.72 0.00 -1.24 -5.00 105.19 107.03 2wmu n GLY 72 Ca -0.28 -0.85 -0.13 0.00 0.00 0.00 0.00 46.02 44.76 2wmu n GLY 72 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2wmu s HIS 73 N -2.74 -0.23 -0.03 1.61 -3.43 -1.26 0.14 115.29 109.36 2wmu s HIS 73 Ca 0.03 0.23 0.00 0.00 -0.80 0.00 0.00 55.06 54.53 2wmu s HIS 73 Cb -0.00 0.17 0.03 0.00 -1.43 0.00 0.00 32.58 31.35 2wmu s HIS 73 CO -0.00 -0.51 0.02 1.03 -2.00 0.00 0.00 174.74 173.28 2wmu s ARG 74 N -2.11 0.13 -0.97 -0.38 0.52 -0.58 -4.97 118.95 110.59 2wmu s ARG 74 Ca -0.08 0.15 -0.14 0.00 -0.52 0.00 0.00 55.73 55.14 2wmu s ARG 74 Cb -0.02 -0.39 0.20 0.00 0.52 0.00 0.00 34.95 35.26 2wmu s ARG 74 CO -0.00 -0.17 1.04 1.03 0.02 0.00 0.00 175.30 177.22 2wmu s ARG 75 N 1.14 3.79 -0.04 3.54 3.00 -1.26 -2.21 118.95 126.92 2wmu s ARG 75 Ca -0.08 -2.43 -0.22 0.00 0.00 0.00 0.00 55.73 53.00 2wmu s ARG 75 Cb -0.13 -4.69 -0.16 0.00 0.00 0.00 0.00 34.95 29.97 2wmu s ARG 75 CO -0.02 -1.49 0.94 0.93 0.00 0.00 0.00 175.30 175.66 2wmu h GLU 76 N 7.77 -0.26 -4.13 3.54 5.08 -1.99 -3.50 114.58 121.10 2wmu h GLU 76 Ca 0.17 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 2wmu h GLU 76 Cb 0.98 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.29 2wmu h GLU 76 CO 0.98 0.13 -0.76 1.51 -1.00 0.00 0.00 179.01 179.87 2wmu n ILE 79 N -4.98-10.68 -4.71 3.13 3.06 -1.26 -5.11 119.36 98.81 2wmu n ILE 79 Ca -0.08 2.73 -0.33 0.00 -2.50 0.00 0.00 62.75 62.57 2wmu n ILE 79 Cb 0.26 -4.44 -0.13 0.00 0.54 0.00 0.00 39.64 35.87 2wmu n ILE 79 CO 0.00 0.00 0.00 -1.58 -2.50 0.00 0.00 176.55 172.47 2wmu s GLN 80 N -0.43 3.12 -0.22 9.51 2.00 -0.55 -4.95 119.66 128.15 2wmu s GLN 80 Ca 0.00 -0.63 -0.03 0.00 -2.00 0.00 0.00 55.36 52.70 2wmu s GLN 80 Cb 0.00 -2.62 0.00 0.00 0.80 0.00 0.00 33.01 31.19 2wmu s GLN 80 CO 0.00 0.39 -0.06 0.71 -0.50 0.00 0.00 175.29 175.83 2wmu s TYR 81 N -0.11 2.95 -0.16 1.67 1.51 -0.94 -0.75 117.35 121.53 2wmu s TYR 81 Ca -0.00 -1.11 -0.04 0.00 -1.01 0.00 0.00 57.07 54.90 2wmu s TYR 81 Cb -0.13 -2.08 -0.03 0.00 -0.11 0.00 0.00 41.96 39.61 2wmu s TYR 81 CO 0.03 -0.61 -0.04 -0.51 -1.11 0.00 0.00 175.55 173.32 2wmu s LEU 82 N 1.43 3.21 -0.40 -1.29 1.02 0.19 -1.52 118.68 121.32 2wmu s LEU 82 Ca 0.05 -0.16 -0.15 0.00 0.02 0.00 0.00 54.13 53.89 2wmu s LEU 82 Cb -0.14 -1.78 0.01 0.00 0.02 0.00 0.00 46.19 44.30 2wmu s LEU 82 CO -0.05 0.15 0.30 -0.36 0.02 0.00 0.00 176.35 176.41 2wmu s PHE 83 N 0.50 3.24 0.16 0.29 0.08 0.12 -0.29 117.98 122.08 2wmu s PHE 83 Ca -0.03 -0.52 0.09 0.00 0.12 0.00 0.00 56.93 56.59 2wmu s PHE 83 Cb -0.14 -2.59 -0.04 0.00 -0.57 0.00 0.00 43.02 39.68 2wmu s PHE 83 CO 0.03 -0.56 -0.21 -0.51 -0.10 0.00 0.00 175.22 173.87 2wmu s LEU 84 N 1.71 2.40 0.29 -0.37 1.43 0.76 -0.24 118.68 124.67 2wmu s LEU 84 Ca 0.06 -0.82 -0.30 0.00 -1.03 0.00 0.00 54.13 52.03 2wmu s LEU 84 Cb -0.19 -0.96 -0.12 0.00 0.03 0.00 0.00 46.19 44.95 2wmu s LEU 84 CO 0.10 0.04 1.51 1.21 0.23 0.00 0.00 176.35 179.44 2wmu n GLU 85 N 0.48 2.46 -3.35 1.70 2.13 0.10 -0.99 120.64 123.18 2wmu n GLU 85 Ca -0.15 0.87 -0.38 0.00 0.66 0.00 0.00 57.16 58.17 2wmu n GLU 85 Cb 0.56 -2.60 -0.07 0.00 0.27 0.00 0.00 31.44 29.60 2wmu n GLU 85 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 2wmu s TYR 86 N -0.23 3.45 -0.44 4.31 5.04 -1.26 -4.52 117.35 123.70 2wmu s TYR 86 Ca 0.63 0.77 -0.07 0.00 -2.44 0.00 0.00 57.07 55.96 2wmu s TYR 86 Cb -0.54 -2.54 0.11 0.00 0.35 0.00 0.00 41.96 39.34 2wmu s TYR 86 CO 0.52 0.10 0.28 0.00 -1.34 0.00 0.00 175.55 175.10 2wmu h SER 88 N 8.32 0.00 -0.46 0.00 4.64 -1.85 -2.03 113.55 122.17 2wmu h SER 88 Ca -0.19 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.06 2wmu h SER 88 Cb 1.07 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.13 2wmu h SER 88 CO 0.79 0.00 0.06 1.23 -0.87 0.00 0.00 176.83 178.04 2wmu h GLY 89 N 1.66 0.91 0.00 -0.77 0.00 0.27 -3.47 103.07 101.67 2wmu h GLY 89 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 47.33 46.75 2wmu h GLY 89 CO 0.00 0.54 0.00 0.61 0.00 0.00 0.00 176.54 177.69 2wmu n GLY 90 N -0.70 -1.92 3.77 4.60 0.00 -0.76 -4.72 105.19 105.46 2wmu n GLY 90 Ca 0.03 -1.64 -0.38 0.00 0.00 0.00 0.00 46.02 44.04 2wmu n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wmu s GLU 91 N 0.00 4.00 0.56 1.61 2.02 -1.26 0.06 118.70 125.68 2wmu s GLU 91 Ca 0.00 1.78 0.31 0.00 0.02 0.00 0.00 54.97 57.07 2wmu s GLU 91 Cb 0.00 -2.60 1.63 0.00 0.10 0.00 0.00 34.13 33.27 2wmu s GLU 91 CO 0.00 -0.35 2.13 1.25 0.02 0.00 0.00 175.26 178.32 2wmu h LEU 92 N 2.48 0.00 -1.01 1.80 5.85 -0.46 -2.47 115.31 121.50 2wmu h LEU 92 Ca -0.49 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.24 2wmu h LEU 92 Cb 1.23 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.22 2wmu h LEU 92 CO 0.62 0.07 0.63 0.15 -0.34 0.00 0.00 178.44 179.58 2wmu h PHE 93 N 0.00 1.24 0.00 1.25 3.57 -1.79 -2.07 116.94 119.14 2wmu h PHE 93 Ca -0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2wmu h PHE 93 Cb 0.26 -0.42 0.00 0.00 2.79 0.00 0.00 35.95 38.58 2wmu h PHE 93 CO 0.00 0.80 0.00 -0.25 -2.23 0.00 0.00 178.31 176.63 2wmu n ASP 94 N -4.37 0.64 -0.41 0.41 10.43 -0.93 -2.68 116.55 119.63 2wmu n ASP 94 Ca 0.11 0.61 0.14 0.00 2.57 0.00 0.00 54.79 58.23 2wmu n ASP 94 Cb 0.02 -0.76 0.54 0.00 1.84 0.00 0.00 41.12 42.76 2wmu n ASP 94 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 2wmu n ARG 95 N -2.16 1.50 -3.67 -1.24 5.12 -0.78 -4.81 116.66 110.63 2wmu n ARG 95 Ca 0.04 -0.82 -0.37 0.00 -1.93 0.00 0.00 57.85 54.76 2wmu n ARG 95 Cb 0.30 -1.48 -0.11 0.00 -1.16 0.00 0.00 32.46 30.01 2wmu n ARG 95 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2wmu s ILE 96 N -2.06 5.15 -0.06 0.55 1.01 -1.09 -4.76 121.20 119.94 2wmu s ILE 96 Ca 0.37 0.11 -0.25 0.00 0.00 0.00 0.00 60.65 60.89 2wmu s ILE 96 Cb 0.21 -3.42 -0.03 0.00 0.01 0.00 0.00 42.46 39.22 2wmu s ILE 96 CO 0.36 0.31 0.75 -0.70 0.00 0.00 0.00 174.94 175.66 2wmu s GLU 97 N 1.39 4.45 0.16 2.79 2.56 -0.01 -4.89 118.70 125.14 2wmu s GLU 97 Ca 0.07 0.97 -0.32 0.00 0.00 0.00 0.00 54.97 55.69 2wmu s GLU 97 Cb -0.15 -3.46 -0.10 0.00 2.00 0.00 0.00 34.13 32.42 2wmu s GLU 97 CO 0.07 0.02 1.59 -2.14 -0.56 0.00 0.00 175.26 174.23 2wmu s PRO 98 N 0.93 4.21 0.00 4.30 0.02 -1.26 0.04 135.00 143.23 2wmu s PRO 98 Ca 0.40 2.38 0.00 0.00 0.02 0.00 0.00 61.00 63.80 2wmu s PRO 98 Cb -0.18 -3.17 0.00 0.00 0.02 0.00 0.00 34.50 31.17 2wmu s PRO 98 CO 0.19 -0.63 0.00 -3.47 -0.33 0.00 0.00 177.00 172.77 2wmu n ASP 99 N 4.06 -0.54 0.00 2.53 2.03 -0.17 -4.73 116.55 119.73 2wmu n ASP 99 Ca 0.14 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.45 2wmu n ASP 99 Cb 0.38 -0.56 0.00 0.00 -0.72 0.00 0.00 41.12 40.23 2wmu n ASP 99 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2wmu n ILE 100 N -2.12 0.00 0.00 5.18 5.41 -0.68 -4.70 119.36 122.45 2wmu n ILE 100 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2wmu n ILE 100 Cb 0.01 -0.47 0.00 0.00 -0.71 0.00 0.00 39.64 38.48 2wmu n ILE 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2wmu n GLY 101 N 2.87 1.57 3.54 7.39 0.00 0.11 -4.10 105.19 116.56 2wmu n GLY 101 Ca 0.00 -0.80 -0.07 0.00 0.00 0.00 0.00 46.02 45.15 2wmu n GLY 101 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2wmu s MET 102 N 0.00 0.76 0.03 1.61 0.23 -0.31 -0.83 119.30 120.78 2wmu s MET 102 Ca 0.00 -0.30 -0.36 0.00 -1.03 0.00 0.00 55.69 53.99 2wmu s MET 102 Cb 0.00 0.34 -0.16 0.00 -1.53 0.00 0.00 34.83 33.48 2wmu s MET 102 CO 0.00 -0.33 1.50 -2.30 -2.03 0.00 0.00 175.02 171.86 2wmu n PRO 103 N -0.25 1.45 -0.32 3.16 -0.02 -1.26 -4.72 135.00 133.04 2wmu n PRO 103 Ca -0.07 0.53 0.15 0.00 -2.02 0.00 0.00 63.50 62.08 2wmu n PRO 103 Cb 0.61 -2.22 0.30 0.00 -0.02 0.00 0.00 33.50 32.17 2wmu n PRO 103 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2wmu h GLU 104 N 5.66 0.07 -0.87 -0.52 4.81 -1.97 -0.20 114.58 121.56 2wmu h GLU 104 Ca -0.47 -0.00 0.08 0.00 -0.13 0.00 0.00 59.36 58.83 2wmu h GLU 104 Cb 1.31 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 30.61 2wmu h GLU 104 CO 0.85 0.05 0.53 -1.35 -0.73 0.00 0.00 179.01 178.35 2wmu h PRO 105 N 0.07 0.90 -0.38 0.92 0.11 -1.91 -0.74 132.00 130.96 2wmu h PRO 105 Ca 0.59 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 66.56 2wmu h PRO 105 Cb 1.24 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 2wmu h PRO 105 CO -0.81 0.59 -0.12 -0.44 -0.21 0.00 0.00 178.00 177.01 2wmu h ASP 106 N 0.92 0.66 -0.42 -2.05 3.45 -1.40 -2.58 116.42 115.01 2wmu h ASP 106 Ca 0.40 -0.19 -0.13 0.00 0.43 0.00 0.00 57.03 57.53 2wmu h ASP 106 Cb 0.26 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 38.85 2wmu h ASP 106 CO -0.21 0.81 -0.25 0.00 -1.57 0.00 0.00 179.24 178.02 2wmu h ALA 107 N 1.25 0.60 -0.39 3.45 0.00 -1.01 -1.19 119.26 121.98 2wmu h ALA 107 Ca 0.11 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 2wmu h ALA 107 Cb 0.56 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2wmu h ALA 107 CO 0.04 0.61 0.13 0.37 0.00 0.00 0.00 179.25 180.39 2wmu h GLN 108 N 0.74 0.59 -0.35 0.00 4.15 -1.08 0.91 115.11 120.07 2wmu h GLN 108 Ca 0.09 -0.12 0.03 0.00 0.77 0.00 0.00 58.65 59.42 2wmu h GLN 108 Cb 0.83 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.40 2wmu h GLN 108 CO 0.07 0.59 0.14 -0.09 -1.93 0.00 0.00 178.83 177.61 2wmu h ARG 109 N 0.48 0.29 -0.56 1.69 2.43 -1.36 0.11 114.38 117.46 2wmu h ARG 109 Ca 0.13 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 2wmu h ARG 109 Cb 0.24 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.70 2wmu h ARG 109 CO -0.01 0.19 0.26 0.74 -1.51 0.00 0.00 179.97 179.65 2wmu h PHE 110 N 0.30 0.82 -0.68 2.20 0.04 -0.90 -1.85 116.94 116.87 2wmu h PHE 110 Ca 0.15 -0.04 -0.06 0.00 2.80 0.00 0.00 57.97 60.82 2wmu h PHE 110 Cb 0.10 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 37.97 2wmu h PHE 110 CO -0.12 0.63 0.17 0.35 -0.60 0.00 0.00 178.31 178.74 2wmu h PHE 111 N 0.76 1.13 -0.30 -0.55 3.57 -0.61 -0.15 116.94 120.79 2wmu h PHE 111 Ca 0.19 -0.12 0.04 0.00 3.53 0.00 0.00 57.97 61.61 2wmu h PHE 111 Cb 0.13 -0.32 -0.04 0.00 2.79 0.00 0.00 35.95 38.51 2wmu h PHE 111 CO -0.00 0.91 0.09 0.45 -2.23 0.00 0.00 178.31 177.53 2wmu h HIS 112 N 1.03 0.15 0.00 0.41 3.86 -0.46 -0.52 115.15 119.63 2wmu h HIS 112 Ca 0.22 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.38 2wmu h HIS 112 Cb 0.35 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.79 2wmu h HIS 112 CO 0.03 0.06 -0.30 1.96 0.86 0.00 0.00 177.93 180.53 2wmu h GLN 113 N 0.21 0.00 -0.28 2.45 4.20 -1.01 -1.84 115.11 118.83 2wmu h GLN 113 Ca 0.14 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.68 2wmu h GLN 113 Cb 0.12 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.90 2wmu h GLN 113 CO -0.16 0.30 -0.47 1.25 -0.67 0.00 0.00 178.83 179.09 2wmu h LEU 114 N 0.00 0.89 -0.43 1.46 5.85 -0.73 -2.08 115.31 120.27 2wmu h LEU 114 Ca -0.00 -0.52 -0.02 0.00 0.84 0.00 0.00 57.88 58.17 2wmu h LEU 114 Cb 0.81 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 2wmu h LEU 114 CO 0.04 1.24 0.19 0.24 -0.34 0.00 0.00 178.44 179.81 2wmu h MET 115 N 0.57 0.63 -0.55 1.25 2.86 -0.83 -2.02 114.93 116.83 2wmu h MET 115 Ca 0.02 -0.11 0.11 0.00 -2.06 0.00 0.00 59.70 57.66 2wmu h MET 115 Cb 1.07 -0.11 -0.09 0.00 0.06 0.00 0.00 31.60 32.54 2wmu h MET 115 CO 0.11 0.57 0.06 0.00 1.06 0.00 0.00 176.91 178.70 2wmu h ALA 116 N 1.03 0.59 -0.46 6.32 0.00 -1.31 0.24 119.26 125.67 2wmu h ALA 116 Ca 0.15 0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.22 2wmu h ALA 116 Cb 0.16 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2wmu h ALA 116 CO -0.01 -0.35 0.27 0.78 0.00 0.00 0.00 179.25 179.93 2wmu h GLY 117 N 0.18 0.65 1.31 0.00 0.00 -1.13 -2.23 103.07 101.86 2wmu h GLY 117 Ca 0.29 -0.20 -0.26 0.00 0.00 0.00 0.00 47.33 47.16 2wmu h GLY 117 CO -0.42 0.17 -1.02 -2.08 0.00 0.00 0.00 176.54 173.19 2wmu h VAL 118 N 0.54 1.31 -0.16 4.60 2.07 -0.81 -1.37 116.25 122.44 2wmu h VAL 118 Ca 0.19 -2.31 0.04 0.00 0.82 0.00 0.00 66.70 65.44 2wmu h VAL 118 Cb 0.02 2.39 -0.04 0.00 -1.52 0.00 0.00 31.29 32.14 2wmu h VAL 118 CO -0.09 0.71 -0.10 0.58 0.02 0.00 0.00 177.57 178.69 2wmu h VAL 119 N 0.35 0.69 0.25 2.57 2.07 -0.53 0.14 116.25 121.79 2wmu h VAL 119 Ca -0.12 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.41 2wmu h VAL 119 Cb 1.66 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 32.09 2wmu h VAL 119 CO 0.19 0.00 -0.40 0.22 0.02 0.00 0.00 177.57 177.60 2wmu h TYR 120 N -0.10 -1.10 -0.25 1.57 3.20 -1.28 0.28 116.97 119.29 2wmu h TYR 120 Ca 0.10 0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.05 2wmu h TYR 120 Cb 0.24 0.45 -0.07 0.00 1.54 0.00 0.00 36.73 38.88 2wmu h TYR 120 CO -0.24 -0.52 -0.29 -0.07 -1.64 0.00 0.00 178.16 175.40 2wmu h LEU 121 N -0.72 -0.92 -1.29 2.82 3.38 -1.01 -1.46 115.31 116.12 2wmu h LEU 121 Ca -0.00 0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.14 2wmu h LEU 121 Cb 0.69 0.42 -0.04 0.00 0.09 0.00 0.00 40.66 41.82 2wmu h LEU 121 CO -0.15 -0.31 0.49 0.45 0.09 0.00 0.00 178.44 179.00 2wmu h HIS 122 N -0.29 0.91 0.00 1.13 3.86 -0.52 -0.21 115.15 120.03 2wmu h HIS 122 Ca 0.13 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.33 2wmu h HIS 122 Cb 0.51 -0.31 -0.00 0.00 1.06 0.00 0.00 27.41 28.66 2wmu h HIS 122 CO -0.44 0.56 -0.16 0.78 0.86 0.00 0.00 177.93 179.53 2wmu h GLY 123 N 0.97 0.00 -3.38 2.45 0.00 0.59 -1.01 103.07 102.69 2wmu h GLY 123 Ca 0.28 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 47.25 2wmu h GLY 123 CO -0.07 0.00 0.38 0.29 0.00 0.00 0.00 176.54 177.14 2wmu n ILE 124 N -4.11 2.97 -1.89 2.60 -5.35 -0.68 -4.94 119.36 107.95 2wmu n ILE 124 Ca -0.02 -2.06 -0.15 0.00 -0.27 0.00 0.00 62.75 60.25 2wmu n ILE 124 Cb 0.24 -0.40 -0.03 0.00 -1.74 0.00 0.00 39.64 37.70 2wmu n ILE 124 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wmu n GLY 125 N -0.92 0.56 3.40 3.28 0.00 -0.38 -4.92 105.19 106.21 2wmu n GLY 125 Ca 0.48 -0.30 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 2wmu n GLY 125 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wmu s ILE 126 N -2.65 3.23 -0.16 -0.61 -1.09 -0.17 0.27 121.20 120.03 2wmu s ILE 126 Ca 0.00 -0.60 -0.03 0.00 -2.23 0.00 0.00 60.65 57.80 2wmu s ILE 126 Cb 0.00 -2.37 -0.02 0.00 -1.58 0.00 0.00 42.46 38.49 2wmu s ILE 126 CO 0.00 0.52 -0.07 0.28 -1.23 0.00 0.00 174.94 174.44 2wmu s THR 127 N 0.32 3.57 0.07 2.92 -1.32 -0.15 -3.06 115.64 117.99 2wmu s THR 127 Ca -0.09 -0.47 -0.20 0.00 -1.21 0.00 0.00 61.69 59.72 2wmu s THR 127 Cb -0.15 -2.55 -0.11 0.00 -1.51 0.00 0.00 72.50 68.17 2wmu s THR 127 CO 0.05 0.49 1.51 -0.74 -2.21 0.00 0.00 174.62 173.72 2wmu h HIS 128 N 6.90 0.34 0.00 9.09 2.76 -1.91 -2.14 115.15 130.18 2wmu h HIS 128 Ca -0.31 -0.06 0.00 0.00 -2.20 0.00 0.00 60.37 57.81 2wmu h HIS 128 Cb 1.19 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 30.06 2wmu h HIS 128 CO 0.53 0.51 0.00 0.54 -1.30 0.00 0.00 177.93 178.21 2wmu n ARG 129 N -4.73 0.00 -2.30 5.26 1.74 -1.26 -2.84 116.66 112.53 2wmu n ARG 129 Ca -0.05 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.04 2wmu n ARG 129 Cb 0.22 -1.44 0.04 0.00 -1.02 0.00 0.00 32.46 30.25 2wmu n ARG 129 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2wmu n ASP 130 N 0.00 1.47 -4.71 0.55 4.64 -1.26 -3.89 116.55 113.35 2wmu n ASP 130 Ca 0.00 -2.10 -0.42 0.00 -1.38 0.00 0.00 54.79 50.89 2wmu n ASP 130 Cb 0.00 -0.41 -0.03 0.00 -1.04 0.00 0.00 41.12 39.64 2wmu n ASP 130 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 2wmu s ILE 131 N -2.47 2.23 0.19 5.18 1.01 -1.26 -4.87 121.20 121.21 2wmu s ILE 131 Ca 0.30 0.08 -0.24 0.00 0.00 0.00 0.00 60.65 60.80 2wmu s ILE 131 Cb 0.35 -3.05 0.05 0.00 0.01 0.00 0.00 42.46 39.82 2wmu s ILE 131 CO -0.08 0.00 0.83 -1.59 0.00 0.00 0.00 174.94 174.10 2wmu s LYS 132 N 1.60 1.40 0.25 2.79 -2.85 -1.26 -4.82 119.74 116.84 2wmu s LYS 132 Ca 0.76 -0.74 -0.06 0.00 -1.00 0.00 0.00 55.97 54.94 2wmu s LYS 132 Cb -0.48 0.50 0.27 0.00 -2.06 0.00 0.00 37.83 36.06 2wmu s LYS 132 CO 0.33 -0.64 1.88 -1.35 0.10 0.00 0.00 175.35 175.68 2wmu h PRO 133 N 2.00 1.22 -0.04 1.78 0.11 -1.92 -0.86 132.00 134.29 2wmu h PRO 133 Ca -0.23 -0.13 0.01 0.00 0.11 0.00 0.00 66.00 65.77 2wmu h PRO 133 Cb 1.25 -0.25 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 2wmu h PRO 133 CO 0.26 0.87 0.18 0.93 -0.21 0.00 0.00 178.00 180.04 2wmu h GLU 134 N 1.23 0.00 -0.23 1.05 3.07 -1.96 -1.65 114.58 116.09 2wmu h GLU 134 Ca 0.31 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.17 2wmu h GLU 134 Cb -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.90 2wmu h GLU 134 CO -0.05 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.65 2wmu n ASN 135 N -3.15 3.41 -4.07 1.42 3.02 -0.35 -4.83 115.26 110.71 2wmu n ASN 135 Ca -0.02 -2.77 -0.32 0.00 -0.03 0.00 0.00 54.58 51.44 2wmu n ASN 135 Cb 0.26 -0.44 -0.15 0.00 -0.61 0.00 0.00 39.78 38.84 2wmu n ASN 135 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2wmu s LEU 136 N -2.37 4.01 -0.08 3.41 1.43 -0.62 -1.79 118.68 122.66 2wmu s LEU 136 Ca 0.35 -1.65 -0.07 0.00 -1.03 0.00 0.00 54.13 51.73 2wmu s LEU 136 Cb 0.27 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.84 2wmu s LEU 136 CO 0.09 -0.28 0.18 -0.76 0.23 0.00 0.00 176.35 175.81 2wmu s LEU 137 N 1.06 4.39 -0.14 1.79 1.43 -0.40 -0.01 118.68 126.81 2wmu s LEU 137 Ca -0.01 0.50 -0.04 0.00 -1.03 0.00 0.00 54.13 53.55 2wmu s LEU 137 Cb -0.20 -2.26 -0.03 0.00 0.03 0.00 0.00 46.19 43.73 2wmu s LEU 137 CO -0.05 0.36 -0.00 -0.76 0.23 0.00 0.00 176.35 176.13 2wmu s LEU 138 N -1.25 3.47 0.00 1.79 1.43 0.11 0.10 118.68 124.33 2wmu s LEU 138 Ca 0.19 0.01 -0.01 0.00 -1.03 0.00 0.00 54.13 53.28 2wmu s LEU 138 Cb -0.13 -1.83 0.03 0.00 0.03 0.00 0.00 46.19 44.30 2wmu s LEU 138 CO 0.08 0.24 0.22 -0.90 0.23 0.00 0.00 176.35 176.23 2wmu n ASP 139 N 3.05 0.15 -0.14 2.29 3.85 -0.78 0.78 116.55 125.74 2wmu n ASP 139 Ca -0.18 -1.16 0.01 0.00 -0.71 0.00 0.00 54.79 52.76 2wmu n ASP 139 Cb 0.53 -0.16 0.30 0.00 -1.35 0.00 0.00 41.12 40.44 2wmu n ASP 139 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 2wmu h GLU 140 N 0.00 0.84 -0.01 0.11 9.09 -1.91 0.65 114.58 123.35 2wmu h GLU 140 Ca -0.07 -0.06 0.00 0.00 0.05 0.00 0.00 59.36 59.28 2wmu h GLU 140 Cb 0.23 -0.19 0.00 0.00 -1.65 0.00 0.00 28.75 27.15 2wmu h GLU 140 CO 0.06 0.57 -0.03 0.54 0.05 0.00 0.00 179.01 180.21 2wmu n ARG 141 N -4.43 1.49 -0.86 1.06 1.74 -1.26 -4.92 116.66 109.48 2wmu n ARG 141 Ca 0.06 -0.79 0.00 0.00 -0.77 0.00 0.00 57.85 56.35 2wmu n ARG 141 Cb 0.05 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.01 2wmu n ARG 141 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2wmu n ASP 142 N -0.06 -2.00 -4.76 0.55 9.92 0.22 -5.02 116.55 115.39 2wmu n ASP 142 Ca 0.19 0.00 -0.41 0.00 -0.53 0.00 0.00 54.79 54.04 2wmu n ASP 142 Cb 0.32 -0.33 -0.02 0.00 -0.64 0.00 0.00 41.12 40.45 2wmu n ASP 142 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 2wmu s ASN 143 N -2.23 6.63 0.27 -2.24 0.01 -1.26 -4.54 114.94 111.59 2wmu s ASN 143 Ca 0.00 2.75 -0.29 0.00 -0.71 0.00 0.00 52.86 54.61 2wmu s ASN 143 Cb 0.00 -2.64 -0.09 0.00 0.41 0.00 0.00 41.25 38.93 2wmu s ASN 143 CO 0.00 -0.68 1.01 -0.22 -1.51 0.00 0.00 177.10 175.70 2wmu s LEU 144 N -1.18 4.56 -0.03 0.60 0.20 -1.26 -1.87 118.68 119.70 2wmu s LEU 144 Ca 0.55 2.07 0.01 0.00 0.69 0.00 0.00 54.13 57.44 2wmu s LEU 144 Cb -0.42 -3.68 0.02 0.00 -0.43 0.00 0.00 46.19 41.68 2wmu s LEU 144 CO 0.50 -0.01 -0.03 -0.54 -0.29 0.00 0.00 176.35 175.98 2wmu s LYS 145 N -1.43 0.58 0.04 1.98 -0.14 0.11 -4.43 119.74 116.45 2wmu s LYS 145 Ca 0.44 -0.05 -0.30 0.00 -1.36 0.00 0.00 55.97 54.70 2wmu s LYS 145 Cb -0.27 -0.64 -0.04 0.00 -1.68 0.00 0.00 37.83 35.19 2wmu s LYS 145 CO 0.35 -0.07 1.05 0.42 -0.76 0.00 0.00 175.35 176.33 2wmu s ILE 146 N 0.80 4.52 0.10 2.17 1.01 0.25 -1.27 121.20 128.78 2wmu s ILE 146 Ca -0.09 1.87 0.08 0.00 0.00 0.00 0.00 60.65 62.50 2wmu s ILE 146 Cb -0.13 -4.19 -0.03 0.00 0.01 0.00 0.00 42.46 38.11 2wmu s ILE 146 CO -0.00 0.17 -0.21 -0.55 0.00 0.00 0.00 174.94 174.35 2wmu s SER 147 N 0.82 2.61 -0.07 3.58 0.15 -0.74 -1.08 113.70 118.97 2wmu s SER 147 Ca 0.53 -0.68 -0.03 0.00 0.70 0.00 0.00 55.95 56.46 2wmu s SER 147 Cb -0.24 -0.15 0.01 0.00 -1.71 0.00 0.00 66.02 63.93 2wmu s SER 147 CO 0.29 0.08 0.07 -0.67 1.20 0.00 0.00 173.24 174.21 2wmu n ASP 148 N 1.12 -1.86 -1.33 5.45 4.64 -1.26 -4.84 116.55 118.47 2wmu n ASP 148 Ca -0.19 0.45 0.03 0.00 -1.38 0.00 0.00 54.79 53.70 2wmu n ASP 148 Cb 0.53 -2.41 0.29 0.00 -1.04 0.00 0.00 41.12 38.49 2wmu n ASP 148 CO 0.00 0.00 0.00 0.49 -0.82 0.00 0.00 177.20 176.87 2wmu n PHE 149 N 0.51 1.48 0.14 -0.67 3.01 -1.26 -4.49 117.46 116.18 2wmu n PHE 149 Ca -0.12 -1.03 0.04 0.00 1.01 0.00 0.00 57.45 57.35 2wmu n PHE 149 Cb 0.18 -0.46 0.44 0.00 -0.01 0.00 0.00 39.48 39.64 2wmu n PHE 149 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2wmu h GLY 150 N 2.22 0.21 -0.56 1.37 0.00 -1.90 -2.67 103.07 101.74 2wmu h GLY 150 Ca 0.09 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.31 2wmu h GLY 150 CO 0.41 0.11 -0.57 1.04 0.00 0.00 0.00 176.54 177.52 2wmu n LEU 151 N -4.33 1.63 -4.74 3.11 4.77 -1.26 -4.80 117.00 111.38 2wmu n LEU 151 Ca -0.01 -0.62 -0.33 0.00 -0.03 0.00 0.00 56.01 55.02 2wmu n LEU 151 Cb 0.23 -0.02 0.08 0.00 -2.33 0.00 0.00 43.42 41.37 2wmu n LEU 151 CO 0.37 0.32 0.76 0.00 -1.33 0.00 0.00 177.39 177.50 2wmu s ALA 152 N -2.62 2.22 0.10 -1.18 0.00 -1.00 -4.70 121.76 114.57 2wmu s ALA 152 Ca 0.16 0.67 -0.15 0.00 0.00 0.00 0.00 51.96 52.64 2wmu s ALA 152 Cb 0.18 -3.39 0.03 0.00 0.00 0.00 0.00 23.12 19.94 2wmu s ALA 152 CO 0.64 -1.70 0.37 -0.08 0.00 0.00 0.00 175.76 174.99 2wmu s THR 153 N -2.26 0.08 0.24 0.00 -1.32 -0.81 -4.93 115.64 106.64 2wmu s THR 153 Ca 0.69 -0.64 -0.30 0.00 -1.21 0.00 0.00 61.69 60.24 2wmu s THR 153 Cb -0.24 -1.14 -0.09 0.00 -1.51 0.00 0.00 72.50 69.52 2wmu s THR 153 CO 0.46 -0.35 1.25 -0.69 -2.21 0.00 0.00 174.62 173.07 2wmu s VAL 154 N -3.53 3.21 0.00 5.08 1.01 -1.26 -0.98 120.40 123.94 2wmu s VAL 154 Ca 0.01 1.09 0.00 0.00 0.00 0.00 0.00 61.98 63.08 2wmu s VAL 154 Cb 0.02 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.70 2wmu s VAL 154 CO -0.10 0.21 0.13 2.22 0.00 0.00 0.00 175.10 177.56 2wmu n PHE 155 N 1.90 0.00 -3.76 5.22 -1.74 0.14 -4.91 117.46 114.31 2wmu n PHE 155 Ca 0.03 0.00 -0.14 0.00 -0.56 0.00 0.00 57.45 56.78 2wmu n PHE 155 Cb 0.43 0.00 -0.15 0.00 1.52 0.00 0.00 39.48 41.28 2wmu n PHE 155 CO 0.00 0.00 0.00 0.50 -0.56 0.00 0.00 176.76 176.70 2wmu s ARG 156 N -0.29 0.01 -0.12 3.97 3.52 -1.18 -0.87 118.95 123.99 2wmu s ARG 156 Ca 0.00 0.25 -0.09 0.00 -0.13 0.00 0.00 55.73 55.77 2wmu s ARG 156 Cb 0.00 -0.22 0.04 0.00 -1.56 0.00 0.00 34.95 33.21 2wmu s ARG 156 CO 0.00 -0.17 0.31 -0.47 -0.81 0.00 0.00 175.30 174.16 2wmu s TYR 157 N 1.09 -0.39 -1.58 5.12 5.04 -0.42 -4.53 117.35 121.68 2wmu s TYR 157 Ca -0.09 0.91 -0.11 0.00 -2.44 0.00 0.00 57.07 55.34 2wmu s TYR 157 Cb -0.12 0.13 0.09 0.00 0.35 0.00 0.00 41.96 42.41 2wmu s TYR 157 CO -0.04 -0.22 0.67 0.09 -1.34 0.00 0.00 175.55 174.71 2wmu n ASN 158 N 3.64 -2.38 -1.11 4.32 3.02 -1.26 -0.45 115.26 121.04 2wmu n ASN 158 Ca -0.19 -0.98 -0.12 0.00 -0.03 0.00 0.00 54.58 53.25 2wmu n ASN 158 Cb 0.56 -2.99 -0.05 0.00 -0.61 0.00 0.00 39.78 36.68 2wmu n ASN 158 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2wmu n ASN 159 N -2.80 -4.33 -4.51 6.41 3.02 -1.26 -4.97 115.26 106.82 2wmu n ASN 159 Ca -0.07 0.30 -0.37 0.00 -0.03 0.00 0.00 54.58 54.41 2wmu n ASN 159 Cb 0.57 -3.60 -0.12 0.00 -0.61 0.00 0.00 39.78 36.01 2wmu n ASN 159 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2wmu s ARG 160 N -2.92 3.78 0.25 3.52 6.06 0.41 -5.09 118.95 124.95 2wmu s ARG 160 Ca 0.00 -0.42 -0.30 0.00 -2.50 0.00 0.00 55.73 52.52 2wmu s ARG 160 Cb 0.00 -3.42 -0.09 0.00 0.06 0.00 0.00 34.95 31.50 2wmu s ARG 160 CO 0.00 -0.15 0.95 -2.00 -2.50 0.00 0.00 175.30 171.60 2wmu s GLU 161 N 1.56 4.83 -0.12 5.12 2.12 -1.26 -1.30 118.70 129.64 2wmu s GLU 161 Ca 0.06 1.49 0.03 0.00 0.36 0.00 0.00 54.97 56.91 2wmu s GLU 161 Cb -0.15 -3.24 0.01 0.00 0.26 0.00 0.00 34.13 31.01 2wmu s GLU 161 CO 0.06 0.49 -0.23 1.03 -0.54 0.00 0.00 175.26 176.07 2wmu s ARG 162 N -1.26 3.04 0.51 4.30 0.52 -0.05 -4.98 118.95 121.03 2wmu s ARG 162 Ca 0.42 -0.86 -0.20 0.00 -0.52 0.00 0.00 55.73 54.57 2wmu s ARG 162 Cb -0.26 -2.39 -0.07 0.00 0.52 0.00 0.00 34.95 32.75 2wmu s ARG 162 CO 0.32 0.06 1.08 -0.51 0.02 0.00 0.00 175.30 176.27 2wmu s LEU 163 N 0.63 3.80 -0.22 2.53 1.43 -1.26 -4.76 118.68 120.83 2wmu s LEU 163 Ca -0.12 2.03 -0.10 0.00 -1.03 0.00 0.00 54.13 54.91 2wmu s LEU 163 Cb -0.16 -4.57 -0.05 0.00 0.03 0.00 0.00 46.19 41.44 2wmu s LEU 163 CO 0.02 -0.97 0.15 -0.76 0.23 0.00 0.00 176.35 175.03 2wmu s LEU 164 N -3.63 4.17 -0.18 1.79 1.43 -0.21 -4.86 118.68 117.18 2wmu s LEU 164 Ca 0.69 0.18 0.16 0.00 -1.03 0.00 0.00 54.13 54.14 2wmu s LEU 164 Cb -0.19 -2.11 -0.24 0.00 0.03 0.00 0.00 46.19 43.67 2wmu s LEU 164 CO 0.23 0.12 0.14 -0.46 0.23 0.00 0.00 176.35 176.61 2wmu n ASN 165 N 3.90 0.26 -4.78 2.29 0.23 -1.26 -2.46 115.26 113.44 2wmu n ASN 165 Ca -0.15 0.05 -0.35 0.00 -0.53 0.00 0.00 54.58 53.60 2wmu n ASN 165 Cb 0.52 0.75 -0.01 0.00 -2.08 0.00 0.00 39.78 38.96 2wmu n ASN 165 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2wmu s LYS 166 N -2.51 3.52 -0.25 -3.83 1.02 -1.26 -4.84 119.74 111.60 2wmu s LYS 166 Ca -0.11 1.57 -0.10 0.00 0.02 0.00 0.00 55.97 57.35 2wmu s LYS 166 Cb 0.06 -2.09 -0.05 0.00 -0.52 0.00 0.00 37.83 35.24 2wmu s LYS 166 CO 0.82 -0.70 0.16 -1.64 -0.92 0.00 0.00 175.35 173.06 2wmu s MET 167 N -3.18 4.01 0.04 1.68 -1.94 -1.26 -5.07 119.30 113.58 2wmu s MET 167 Ca 0.70 -0.30 -0.03 0.00 -1.71 0.00 0.00 55.69 54.35 2wmu s MET 167 Cb -0.23 -3.54 -0.02 0.00 2.01 0.00 0.00 34.83 33.05 2wmu s MET 167 CO 0.26 0.00 0.03 0.00 -0.01 0.00 0.00 175.02 175.31 2wmu n GLY 169 N 0.59 0.03 3.15 0.00 0.00 -1.25 -4.90 105.19 102.81 2wmu n GLY 169 Ca -0.18 -2.20 -0.22 0.00 0.00 0.00 0.00 46.02 43.42 2wmu n GLY 169 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wmu s THR 170 N 0.00 1.24 0.19 2.61 2.01 -1.26 -5.06 115.64 115.36 2wmu s THR 170 Ca 0.00 -0.86 -0.12 0.00 0.31 0.00 0.00 61.69 61.02 2wmu s THR 170 Cb 0.00 -1.07 0.10 0.00 0.01 0.00 0.00 72.50 71.54 2wmu s THR 170 CO 0.00 0.19 1.81 -0.07 -0.69 0.00 0.00 174.62 175.86 2wmu h LEU 171 N 5.32 0.79 -1.11 4.42 3.38 -1.96 -1.64 115.31 124.50 2wmu h LEU 171 Ca -0.37 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.48 2wmu h LEU 171 Cb 1.17 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 2wmu h LEU 171 CO 0.46 0.64 0.20 -0.65 0.09 0.00 0.00 178.44 179.18 2wmu h PRO 172 N 0.87 0.82 0.00 1.13 0.11 -1.72 -2.96 132.00 130.25 2wmu h PRO 172 Ca 0.23 -0.14 0.00 0.00 0.11 0.00 0.00 66.00 66.20 2wmu h PRO 172 Cb 0.02 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 30.99 2wmu h PRO 172 CO -0.04 0.70 -0.47 0.66 -0.21 0.00 0.00 178.00 178.63 2wmu n TYR 173 N -4.31 0.01 -2.46 0.65 4.01 -1.06 -4.80 117.16 109.20 2wmu n TYR 173 Ca 0.04 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.39 2wmu n TYR 173 Cb 0.18 -0.27 -0.04 0.00 -0.31 0.00 0.00 39.34 38.90 2wmu n TYR 173 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 2wmu s VAL 174 N -3.00 3.45 0.39 -0.72 -7.23 -0.64 -3.69 120.40 108.96 2wmu s VAL 174 Ca 0.11 1.43 -0.25 0.00 -1.81 0.00 0.00 61.98 61.46 2wmu s VAL 174 Cb 0.18 -3.90 -0.09 0.00 0.56 0.00 0.00 36.38 33.13 2wmu s VAL 174 CO 0.69 0.32 1.16 0.00 -0.31 0.00 0.00 175.10 176.96 2wmu s ALA 175 N -1.20 3.18 0.51 1.32 0.00 -1.26 -4.47 121.76 119.84 2wmu s ALA 175 Ca 0.46 0.96 0.18 0.00 0.00 0.00 0.00 51.96 53.55 2wmu s ALA 175 Cb -0.32 -3.37 1.26 0.00 0.00 0.00 0.00 23.12 20.69 2wmu s ALA 175 CO 0.41 -0.49 2.09 -1.00 0.00 0.00 0.00 175.76 176.76 2wmu h PRO 176 N 2.72 0.06 0.00 0.00 0.13 -1.89 -1.55 132.00 131.48 2wmu h PRO 176 Ca -0.49 -0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.61 2wmu h PRO 176 Cb 1.23 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2wmu h PRO 176 CO 0.63 0.04 -0.13 1.05 -0.23 0.00 0.00 178.00 179.36 2wmu h GLU 177 N 0.06 0.00 0.00 0.86 9.09 -1.91 -1.90 114.58 120.79 2wmu h GLU 177 Ca 0.10 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 59.42 2wmu h GLU 177 Cb 0.30 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.39 2wmu h GLU 177 CO -0.01 0.13 -0.42 1.25 0.05 0.00 0.00 179.01 180.01 2wmu h LEU 178 N 0.00 0.00 0.00 3.06 6.46 -1.60 0.44 115.31 123.67 2wmu h LEU 178 Ca -0.00 0.00 -0.09 0.00 -0.12 0.00 0.00 57.88 57.67 2wmu h LEU 178 Cb 0.48 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.40 2wmu h LEU 178 CO 0.02 0.42 -0.65 -0.07 -0.62 0.00 0.00 178.44 177.53 2wmu h LEU 179 N 0.00 0.00 0.00 2.25 3.38 -1.46 -3.40 115.31 116.08 2wmu h LEU 179 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2wmu h LEU 179 Cb 0.83 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 2wmu h LEU 179 CO 0.05 0.40 -1.52 0.29 0.09 0.00 0.00 178.44 177.75 2wmu n LYS 180 N -3.09 0.52 -4.13 1.13 5.02 -0.95 -5.03 118.16 111.62 2wmu n LYS 180 Ca -0.00 -0.09 -0.30 0.00 -2.02 0.00 0.00 58.31 55.90 2wmu n LYS 180 Cb 0.71 -1.26 -0.08 0.00 -0.02 0.00 0.00 35.03 34.38 2wmu n LYS 180 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2wmu s ARG 181 N -2.72 2.55 0.41 1.97 0.52 0.15 -4.97 118.95 116.86 2wmu s ARG 181 Ca -0.04 -0.85 0.22 0.00 -0.52 0.00 0.00 55.73 54.54 2wmu s ARG 181 Cb 0.07 -2.54 0.44 0.00 0.52 0.00 0.00 34.95 33.44 2wmu s ARG 181 CO 0.46 0.54 1.63 -0.09 0.02 0.00 0.00 175.30 177.85 2wmu h ARG 182 N 3.38 0.00 -2.31 3.54 2.43 -1.94 -3.46 114.38 116.02 2wmu h ARG 182 Ca -0.48 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 58.62 2wmu h ARG 182 Cb 1.17 0.00 -0.20 0.00 -0.42 0.00 0.00 29.97 30.51 2wmu h ARG 182 CO 0.60 0.14 0.03 -1.21 -1.51 0.00 0.00 179.97 178.01 2wmu s GLU 183 N -3.24 0.86 0.05 0.20 2.02 -1.26 -4.47 118.70 112.86 2wmu s GLU 183 Ca 0.05 0.35 -0.21 0.00 0.02 0.00 0.00 54.97 55.18 2wmu s GLU 183 Cb 0.06 0.40 0.05 0.00 0.10 0.00 0.00 34.13 34.75 2wmu s GLU 183 CO 0.67 -0.22 0.49 -0.59 0.02 0.00 0.00 175.26 175.64 2wmu s PHE 184 N -0.73 -0.38 0.41 1.61 -0.12 -1.03 -4.96 117.98 112.79 2wmu s PHE 184 Ca -0.08 0.41 -0.24 0.00 -0.05 0.00 0.00 56.93 56.97 2wmu s PHE 184 Cb -0.02 0.31 -0.08 0.00 -0.63 0.00 0.00 43.02 42.59 2wmu s PHE 184 CO 0.06 -0.63 1.12 -1.01 -0.05 0.00 0.00 175.22 174.71 2wmu s HIS 185 N -2.46 3.10 0.03 3.49 3.76 -1.26 -1.04 115.29 120.90 2wmu s HIS 185 Ca -0.05 1.58 -0.20 0.00 -0.15 0.00 0.00 55.06 56.24 2wmu s HIS 185 Cb -0.01 -3.29 -0.17 0.00 1.11 0.00 0.00 32.58 30.23 2wmu s HIS 185 CO -0.02 -1.10 1.26 0.00 -0.85 0.00 0.00 174.74 174.03 2wmu h ALA 186 N 2.45 0.19 -0.12 -1.40 0.00 -1.95 -3.37 119.26 115.05 2wmu h ALA 186 Ca -0.49 -0.41 0.03 0.00 0.00 0.00 0.00 54.91 54.05 2wmu h ALA 186 Cb 1.23 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 2wmu h ALA 186 CO 0.62 0.20 -0.07 0.93 0.00 0.00 0.00 179.25 180.93 2wmu h GLU 187 N -0.03 -0.06 0.00 0.00 5.08 -1.98 -2.64 114.58 114.95 2wmu h GLU 187 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2wmu h GLU 187 Cb 0.88 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.14 2wmu h GLU 187 CO 0.06 -0.04 0.00 -1.35 -1.00 0.00 0.00 179.01 176.68 2wmu h PRO 188 N -0.06 0.00 -0.01 2.33 0.11 -1.90 -1.33 132.00 131.13 2wmu h PRO 188 Ca 0.07 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.03 2wmu h PRO 188 Cb 0.17 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.29 2wmu h PRO 188 CO -0.16 0.00 -0.57 0.28 -0.21 0.00 0.00 178.00 177.33 2wmu h VAL 189 N 0.00 1.42 -0.76 3.15 2.07 -1.64 -1.77 116.25 118.73 2wmu h VAL 189 Ca 0.00 -2.04 -0.03 0.00 0.82 0.00 0.00 66.70 65.45 2wmu h VAL 189 Cb 0.29 2.55 -0.03 0.00 -1.52 0.00 0.00 31.29 32.58 2wmu h VAL 189 CO 0.00 0.59 0.34 0.44 0.02 0.00 0.00 177.57 178.96 2wmu h ASP 190 N -0.09 1.00 -0.39 0.57 3.32 -1.27 -2.29 116.42 117.27 2wmu h ASP 190 Ca -0.07 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 56.85 2wmu h ASP 190 Cb 1.28 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.55 2wmu h ASP 190 CO 0.11 0.87 0.21 0.58 -1.72 0.00 0.00 179.24 179.29 2wmu h VAL 191 N 1.09 1.15 -0.17 -1.35 2.07 -1.26 -2.08 116.25 115.69 2wmu h VAL 191 Ca 0.26 -0.39 0.02 0.00 0.82 0.00 0.00 66.70 67.42 2wmu h VAL 191 Cb 0.15 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 2wmu h VAL 191 CO -0.03 0.15 0.02 -0.25 0.02 0.00 0.00 177.57 177.49 2wmu h TRP 192 N 0.50 0.03 0.00 1.57 2.91 -1.10 -1.42 115.95 118.45 2wmu h TRP 192 Ca 0.14 0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.15 2wmu h TRP 192 Cb 0.06 0.01 -0.00 0.00 -0.51 0.00 0.00 29.16 28.71 2wmu h TRP 192 CO -0.02 0.00 -0.10 0.66 -1.03 0.00 0.00 178.44 177.95 2wmu h SER 193 N 0.09 0.00 -0.26 2.65 4.64 -1.33 -1.06 113.55 118.28 2wmu h SER 193 Ca 0.08 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.29 2wmu h SER 193 Cb 0.08 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.16 2wmu h SER 193 CO -0.12 0.10 -0.20 0.00 -0.87 0.00 0.00 176.83 175.75 2wmu h GLY 195 N 0.98 0.94 0.67 0.00 0.00 -0.19 -1.28 103.07 104.19 2wmu h GLY 195 Ca 0.09 -0.68 0.09 0.00 0.00 0.00 0.00 47.33 46.84 2wmu h GLY 195 CO 0.05 0.62 0.62 -2.22 0.00 0.00 0.00 176.54 175.61 2wmu h ILE 196 N 0.74 1.01 -0.53 2.60 1.08 -1.30 -0.90 117.51 120.20 2wmu h ILE 196 Ca 0.14 -0.35 -0.10 0.00 -0.39 0.00 0.00 64.86 64.16 2wmu h ILE 196 Cb 0.49 -0.12 -0.02 0.00 -3.07 0.00 0.00 36.82 34.10 2wmu h ILE 196 CO 0.02 0.19 -0.07 0.58 -0.69 0.00 0.00 178.15 178.18 2wmu h VAL 197 N 1.03 1.27 -0.76 1.67 2.07 -1.06 -1.34 116.25 119.13 2wmu h VAL 197 Ca 0.44 -1.21 -0.02 0.00 0.82 0.00 0.00 66.70 66.72 2wmu h VAL 197 Cb 0.33 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 2wmu h VAL 197 CO -0.20 0.43 0.38 0.25 0.02 0.00 0.00 177.57 178.45 2wmu h LEU 198 N 0.86 0.97 -0.58 2.57 5.85 -0.89 -0.79 115.31 123.31 2wmu h LEU 198 Ca 0.14 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 2wmu h LEU 198 Cb 0.63 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 2wmu h LEU 198 CO 0.04 0.81 0.24 0.74 -0.34 0.00 0.00 178.44 179.93 2wmu h THR 199 N 1.08 1.22 -0.52 1.05 2.02 -0.83 -2.40 112.91 114.53 2wmu h THR 199 Ca 0.26 -0.69 -0.08 0.00 0.77 0.00 0.00 66.41 66.68 2wmu h THR 199 Cb 0.09 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 2wmu h THR 199 CO -0.04 0.27 0.00 0.00 0.37 0.00 0.00 175.52 176.12 2wmu h ALA 200 N 1.08 1.02 -0.16 6.16 0.00 -0.86 -1.18 119.26 125.32 2wmu h ALA 200 Ca 0.19 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 2wmu h ALA 200 Cb 0.19 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2wmu h ALA 200 CO -0.02 0.61 -0.30 0.52 0.00 0.00 0.00 179.25 180.06 2wmu h MET 201 N 0.82 0.30 -0.00 0.00 2.07 -0.97 -0.18 114.93 116.97 2wmu h MET 201 Ca 0.15 -0.12 0.00 0.00 -2.07 0.00 0.00 59.70 57.67 2wmu h MET 201 Cb 0.48 -0.02 0.00 0.00 -1.87 0.00 0.00 31.60 30.20 2wmu h MET 201 CO 0.02 0.58 -0.83 1.28 1.07 0.00 0.00 176.91 179.03 2wmu n LEU 202 N -4.11 1.18 0.00 1.22 4.77 -0.92 -1.16 117.00 117.98 2wmu n LEU 202 Ca -0.01 -0.56 0.00 0.00 -0.03 0.00 0.00 56.01 55.41 2wmu n LEU 202 Cb 0.41 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 2wmu n LEU 202 CO 0.41 0.27 -0.10 0.00 -1.33 0.00 0.00 177.39 176.64 2wmu n ALA 203 N -1.14 1.06 -1.56 -1.18 0.00 -0.47 -4.66 120.51 112.56 2wmu n ALA 203 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.36 2wmu n ALA 203 Cb 0.34 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.75 2wmu n ALA 203 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wmu n GLY 204 N 0.82 1.06 3.39 0.00 0.00 -0.08 -2.91 105.19 107.47 2wmu n GLY 204 Ca 0.00 -0.40 -0.14 0.00 0.00 0.00 0.00 46.02 45.48 2wmu n GLY 204 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2wmu s GLU 205 N -3.42 1.00 0.06 1.61 -1.05 -1.26 -1.00 118.70 114.65 2wmu s GLU 205 Ca 0.00 -0.21 -0.21 0.00 -0.15 0.00 0.00 54.97 54.40 2wmu s GLU 205 Cb 0.00 0.46 -0.06 0.00 -0.44 0.00 0.00 34.13 34.08 2wmu s GLU 205 CO 0.00 -0.35 0.63 -0.51 0.95 0.00 0.00 175.26 175.97 2wmu s LEU 206 N -1.88 4.50 0.17 1.83 1.43 -1.26 -4.07 118.68 119.40 2wmu s LEU 206 Ca -0.06 1.31 -0.08 0.00 -1.03 0.00 0.00 54.13 54.27 2wmu s LEU 206 Cb -0.01 -3.00 0.04 0.00 0.03 0.00 0.00 46.19 43.25 2wmu s LEU 206 CO -0.01 0.19 1.52 1.55 0.23 0.00 0.00 176.35 179.84 2wmu h PRO 207 N 4.90 0.85 -3.62 1.29 0.13 -1.93 -3.47 132.00 130.15 2wmu h PRO 207 Ca -0.47 -0.43 -0.11 0.00 -0.87 0.00 0.00 66.00 64.11 2wmu h PRO 207 Cb 1.21 0.01 -0.17 0.00 0.13 0.00 0.00 31.00 32.18 2wmu h PRO 207 CO 0.66 1.07 -0.41 1.67 -0.23 0.00 0.00 178.00 180.76 2wmu s TRP 208 N -4.39 0.09 0.20 1.56 -2.14 -1.26 -4.74 118.94 108.25 2wmu s TRP 208 Ca -0.10 -0.34 -0.09 0.00 2.66 0.00 0.00 56.10 58.23 2wmu s TRP 208 Cb 0.12 -0.05 0.12 0.00 -3.10 0.00 0.00 33.47 30.55 2wmu s TRP 208 CO 0.87 -0.43 1.72 -0.44 -2.66 0.00 0.00 176.95 176.01 2wmu h ASP 209 N 3.40 1.05 -5.03 -2.66 3.32 -1.93 -3.41 116.42 111.18 2wmu h ASP 209 Ca -0.32 -0.22 -0.04 0.00 0.02 0.00 0.00 57.03 56.47 2wmu h ASP 209 Cb 1.19 -0.28 -0.13 0.00 0.22 0.00 0.00 39.33 40.34 2wmu h ASP 209 CO 0.49 0.99 0.10 0.00 -1.72 0.00 0.00 179.24 179.10 2wmu s GLN 210 N -5.37 1.18 -1.32 3.56 -2.07 -1.26 -2.54 119.66 111.84 2wmu s GLN 210 Ca -0.12 -0.52 -0.13 0.00 -1.82 0.00 0.00 55.36 52.76 2wmu s GLN 210 Cb 0.15 0.54 0.11 0.00 -1.09 0.00 0.00 33.01 32.71 2wmu s GLN 210 CO 0.84 -0.49 1.86 -0.35 -1.32 0.00 0.00 175.29 175.83 2wmu n PRO 211 N -0.24 3.26 -4.06 9.60 -0.04 -1.26 -4.80 135.00 137.45 2wmu n PRO 211 Ca -0.17 -3.27 -0.11 0.00 -0.04 0.00 0.00 63.50 59.91 2wmu n PRO 211 Cb 0.64 -3.18 -0.11 0.00 -0.04 0.00 0.00 33.50 30.81 2wmu n PRO 211 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2wmu s SER 212 N 2.67 0.70 0.37 3.54 1.04 -1.26 -4.50 113.70 116.26 2wmu s SER 212 Ca 0.46 -0.68 0.06 0.00 0.48 0.00 0.00 55.95 56.26 2wmu s SER 212 Cb 0.07 0.09 0.73 0.00 0.10 0.00 0.00 66.02 67.01 2wmu s SER 212 CO -0.01 -0.33 1.96 0.44 0.98 0.00 0.00 173.24 176.29 2wmu h ASP 213 N 4.07 0.46 -0.71 7.02 3.32 -1.95 -2.11 116.42 126.53 2wmu h ASP 213 Ca -0.34 -0.05 0.01 0.00 0.02 0.00 0.00 57.03 56.67 2wmu h ASP 213 Cb 1.19 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 40.58 2wmu h ASP 213 CO 0.49 0.45 0.47 0.77 -1.72 0.00 0.00 179.24 179.70 2wmu h SER 214 N 0.51 0.80 -3.07 6.45 4.64 -1.97 -3.42 113.55 117.49 2wmu h SER 214 Ca 0.12 -0.02 -0.53 0.00 -0.47 0.00 0.00 61.79 60.90 2wmu h SER 214 Cb 0.15 -0.20 0.05 0.00 -0.31 0.00 0.00 62.40 62.10 2wmu h SER 214 CO -0.01 0.57 0.84 0.00 -0.87 0.00 0.00 176.83 177.37 2wmu h GLN 216 N 5.97 0.30 -0.42 0.00 5.75 -1.85 -2.88 115.11 121.98 2wmu h GLN 216 Ca -0.44 -0.13 -0.01 0.00 -0.15 0.00 0.00 58.65 57.92 2wmu h GLN 216 Cb 1.21 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.73 2wmu h GLN 216 CO 0.85 0.62 0.23 0.93 -2.65 0.00 0.00 178.83 178.82 2wmu h GLU 217 N -0.02 0.57 0.01 1.69 3.07 -1.91 -1.01 114.58 116.98 2wmu h GLU 217 Ca 0.03 -0.05 -0.21 0.00 -0.50 0.00 0.00 59.36 58.63 2wmu h GLU 217 Cb 0.52 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.31 2wmu h GLU 217 CO 0.02 0.42 -0.93 -0.92 -1.40 0.00 0.00 179.01 176.21 2wmu h TYR 218 N 0.58 0.43 -0.44 4.33 3.20 -1.82 -3.03 116.97 120.22 2wmu h TYR 218 Ca 0.15 -0.24 -0.13 0.00 3.14 0.00 0.00 58.73 61.65 2wmu h TYR 218 Cb 0.01 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 2wmu h TYR 218 CO 0.00 1.06 -0.24 0.77 -1.64 0.00 0.00 178.16 178.11 2wmu h SER 219 N 0.15 0.95 -0.20 -2.11 0.02 -1.17 -2.19 113.55 109.01 2wmu h SER 219 Ca -0.06 -0.37 -0.02 0.00 -0.84 0.00 0.00 61.79 60.50 2wmu h SER 219 Cb 1.56 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.83 2wmu h SER 219 CO 0.15 1.14 0.07 0.44 -1.14 0.00 0.00 176.83 177.49 2wmu h ASP 220 N 0.79 0.34 0.00 3.07 3.45 -1.23 -0.84 116.42 122.00 2wmu h ASP 220 Ca 0.10 -0.04 -0.11 0.00 0.43 0.00 0.00 57.03 57.41 2wmu h ASP 220 Cb 0.81 -0.09 0.01 0.00 -0.56 0.00 0.00 39.33 39.50 2wmu h ASP 220 CO 0.07 0.35 -0.43 -0.25 -1.57 0.00 0.00 179.24 177.40 2wmu h TRP 221 N 0.37 0.44 -0.17 4.55 2.91 -1.38 0.93 115.95 123.60 2wmu h TRP 221 Ca 0.09 -0.24 0.05 0.00 1.13 0.00 0.00 58.89 59.92 2wmu h TRP 221 Cb 0.14 -0.05 -0.01 0.00 -0.51 0.00 0.00 29.16 28.74 2wmu h TRP 221 CO 0.00 1.05 0.15 0.87 -1.03 0.00 0.00 178.44 179.48 2wmu h LYS 222 N -0.30 0.00 -0.53 2.65 1.57 -1.10 0.42 116.57 119.27 2wmu h LYS 222 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2wmu h LYS 222 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 2wmu h LYS 222 CO 0.09 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.36 2wmu n GLU 223 N -4.08 2.30 -2.58 3.15 1.02 -0.35 -4.94 120.64 115.16 2wmu n GLU 223 Ca 0.01 -1.89 -0.19 0.00 -0.02 0.00 0.00 57.16 55.07 2wmu n GLU 223 Cb 0.28 -1.44 0.01 0.00 -0.02 0.00 0.00 31.44 30.26 2wmu n GLU 223 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2wmu n LYS 224 N 0.99 -2.61 -2.57 3.49 4.76 0.15 -4.91 118.16 117.45 2wmu n LYS 224 Ca 0.18 0.87 -0.43 0.00 -2.87 0.00 0.00 58.31 56.06 2wmu n LYS 224 Cb 0.47 -5.46 0.00 0.00 -1.84 0.00 0.00 35.03 28.20 2wmu n LYS 224 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2wmu n LYS 225 N -3.13 3.30 0.00 1.97 5.02 0.29 -4.71 118.16 120.89 2wmu n LYS 225 Ca -0.18 -3.46 0.14 0.00 -2.02 0.00 0.00 58.31 52.80 2wmu n LYS 225 Cb 0.65 -3.19 0.62 0.00 -0.02 0.00 0.00 35.03 33.08 2wmu n LYS 225 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2wmu n THR 226 N 4.99 0.00 1.98 -0.18 -2.24 -1.26 -3.34 114.28 114.23 2wmu n THR 226 Ca 0.43 -0.09 0.08 0.00 -2.27 0.00 0.00 64.05 62.20 2wmu n THR 226 Cb 0.42 0.00 0.50 0.00 -2.10 0.00 0.00 70.33 69.16 2wmu n THR 226 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wmu n TYR 227 N -0.74 0.00 -3.96 4.78 0.18 -1.26 -2.81 117.16 113.35 2wmu n TYR 227 Ca 0.16 0.00 -0.21 0.00 1.88 0.00 0.00 57.90 59.73 2wmu n TYR 227 Cb 0.28 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.20 2wmu n TYR 227 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 2wmu s LEU 228 N -1.53 3.79 0.58 -3.48 1.43 -1.21 -4.78 118.68 113.48 2wmu s LEU 228 Ca 0.25 -0.30 -0.20 0.00 -1.03 0.00 0.00 54.13 52.85 2wmu s LEU 228 Cb 0.12 -2.37 -0.04 0.00 0.03 0.00 0.00 46.19 43.93 2wmu s LEU 228 CO 0.20 -0.17 1.27 0.59 0.23 0.00 0.00 176.35 178.46 2wmu n ASN 229 N -1.29 2.16 0.07 2.29 3.02 -1.26 -1.22 115.26 119.02 2wmu n ASN 229 Ca -0.05 0.91 0.13 0.00 -0.03 0.00 0.00 54.58 55.53 2wmu n ASN 229 Cb 0.58 -1.53 0.38 0.00 -0.61 0.00 0.00 39.78 38.61 2wmu n ASN 229 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2wmu n PRO 230 N -1.23 0.20 0.28 3.52 -0.04 -1.26 -4.83 135.00 131.64 2wmu n PRO 230 Ca 0.13 0.13 0.14 0.00 -0.04 0.00 0.00 63.50 63.86 2wmu n PRO 230 Cb 0.46 -1.70 0.83 0.00 -0.04 0.00 0.00 33.50 33.05 2wmu n PRO 230 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 2wmu h TRP 231 N 0.00 0.00 -0.57 0.54 4.06 -1.59 -2.05 115.95 116.33 2wmu h TRP 231 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2wmu h TRP 231 Cb 0.68 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.81 2wmu h TRP 231 CO 0.00 0.06 0.36 -0.22 -3.56 0.00 0.00 178.44 175.08 2wmu h LYS 232 N 0.00 0.77 -0.07 0.49 3.64 -1.00 -2.74 116.57 117.65 2wmu h LYS 232 Ca -0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2wmu h LYS 232 Cb 0.18 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2wmu h LYS 232 CO 0.01 0.52 0.00 1.63 -2.27 0.00 0.00 179.45 179.34 2wmu n LYS 233 N -4.43 1.53 -4.19 1.90 5.02 -0.77 -4.86 118.16 112.35 2wmu n LYS 233 Ca 0.05 -0.78 -0.34 0.00 -2.02 0.00 0.00 58.31 55.22 2wmu n LYS 233 Cb 0.06 -1.43 -0.11 0.00 -0.02 0.00 0.00 35.03 33.53 2wmu n LYS 233 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2wmu s ILE 234 N -1.92 4.31 0.96 -0.18 1.01 -1.04 -4.85 121.20 119.50 2wmu s ILE 234 Ca 0.36 -0.21 -0.11 0.00 0.00 0.00 0.00 60.65 60.70 2wmu s ILE 234 Cb 0.19 -2.92 0.16 0.00 0.01 0.00 0.00 42.46 39.90 2wmu s ILE 234 CO 0.30 0.47 1.08 -0.67 0.00 0.00 0.00 174.94 176.12 2wmu n ASP 235 N 3.60 -0.09 0.09 3.58 -0.08 -1.26 -4.77 116.55 117.61 2wmu n ASP 235 Ca -0.17 0.33 -0.06 0.00 -1.51 0.00 0.00 54.79 53.39 2wmu n ASP 235 Cb 0.52 -1.43 0.09 0.00 2.34 0.00 0.00 41.12 42.64 2wmu n ASP 235 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 2wmu h SER 236 N -2.00 0.26 0.09 1.67 4.64 -1.97 -1.90 113.55 114.34 2wmu h SER 236 Ca -0.46 -0.16 -0.00 0.00 -0.47 0.00 0.00 61.79 60.70 2wmu h SER 236 Cb 1.28 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2wmu h SER 236 CO 0.42 0.86 -0.05 0.00 -0.87 0.00 0.00 176.83 177.19 2wmu h ALA 237 N 1.14 -0.13 -0.03 5.18 0.00 -2.00 0.76 119.26 124.18 2wmu h ALA 237 Ca -0.02 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 2wmu h ALA 237 Cb 1.22 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 2wmu h ALA 237 CO 0.10 -0.57 -0.61 -1.35 0.00 0.00 0.00 179.25 176.83 2wmu h PRO 238 N -0.13 0.11 -0.54 0.00 0.11 -1.94 -3.14 132.00 126.48 2wmu h PRO 238 Ca -0.01 -0.07 -0.09 0.00 0.11 0.00 0.00 66.00 65.93 2wmu h PRO 238 Cb 0.10 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.20 2wmu h PRO 238 CO 0.02 0.68 -0.02 1.25 -0.21 0.00 0.00 178.00 179.72 2wmu h LEU 239 N 0.08 0.91 -0.68 2.35 5.85 -1.16 -1.21 115.31 121.44 2wmu h LEU 239 Ca -0.01 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.50 2wmu h LEU 239 Cb 1.10 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.84 2wmu h LEU 239 CO 0.09 0.98 0.42 0.00 -0.34 0.00 0.00 178.44 179.58 2wmu h ALA 240 N 1.12 0.89 -0.65 1.25 0.00 -0.80 0.29 119.26 121.35 2wmu h ALA 240 Ca 0.15 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2wmu h ALA 240 Cb 0.53 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 2wmu h ALA 240 CO 0.03 0.18 0.37 1.25 0.00 0.00 0.00 179.25 181.08 2wmu h LEU 241 N 0.82 0.80 -1.07 0.00 5.85 -1.46 -1.93 115.31 118.33 2wmu h LEU 241 Ca 0.28 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.87 2wmu h LEU 241 Cb 0.03 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 2wmu h LEU 241 CO -0.11 0.66 0.19 -0.07 -0.34 0.00 0.00 178.44 178.76 2wmu h LEU 242 N 0.89 0.78 -0.90 2.25 3.38 -0.45 0.13 115.31 121.40 2wmu h LEU 242 Ca 0.23 -0.12 0.14 0.00 0.09 0.00 0.00 57.88 58.23 2wmu h LEU 242 Cb 0.02 -0.20 -0.09 0.00 0.09 0.00 0.00 40.66 40.47 2wmu h LEU 242 CO -0.04 0.74 0.51 0.45 0.09 0.00 0.00 178.44 180.18 2wmu h HIS 243 N 0.83 0.90 0.00 1.13 3.86 -0.08 0.14 115.15 121.93 2wmu h HIS 243 Ca 0.19 0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.36 2wmu h HIS 243 Cb 0.23 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 2wmu h HIS 243 CO 0.01 0.26 -0.36 0.87 0.86 0.00 0.00 177.93 179.57 2wmu h LYS 244 N 0.73 0.00 0.11 2.45 1.57 -0.44 -3.36 116.57 117.64 2wmu h LYS 244 Ca 0.48 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.93 2wmu h LYS 244 Cb 0.64 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.94 2wmu h LYS 244 CO -0.34 0.36 -1.79 0.82 -0.57 0.00 0.00 179.45 177.93 2wmu h ILE 245 N 0.00 0.75 -1.16 1.86 2.04 -0.53 -2.01 117.51 118.46 2wmu h ILE 245 Ca -0.00 -2.34 -0.70 0.00 1.00 0.00 0.00 64.86 62.82 2wmu h ILE 245 Cb 1.19 2.51 -0.14 0.00 -0.74 0.00 0.00 36.82 39.65 2wmu h ILE 245 CO 0.05 0.78 2.05 0.18 0.00 0.00 0.00 178.15 181.21 2wmu n LEU 246 N -3.70 7.77 -4.57 1.44 4.77 0.44 -4.73 117.00 118.43 2wmu n LEU 246 Ca -0.30 -4.76 -0.35 0.00 -0.03 0.00 0.00 56.01 50.56 2wmu n LEU 246 Cb 0.98 -1.34 -0.11 0.00 -2.33 0.00 0.00 43.42 40.62 2wmu n LEU 246 CO 0.40 2.01 -0.26 -0.69 -1.33 0.00 0.00 177.39 177.52 2wmu s VAL 247 N -1.40 4.63 0.27 4.08 1.01 -1.26 -4.93 120.40 122.80 2wmu s VAL 247 Ca 0.55 -0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.42 2wmu s VAL 247 Cb 0.22 -3.11 0.19 0.00 0.00 0.00 0.00 36.38 33.67 2wmu s VAL 247 CO -0.12 0.41 1.86 -0.08 0.00 0.00 0.00 175.10 177.17 2wmu h GLU 248 N 7.25 0.99 -6.64 2.72 4.81 -1.96 -3.40 114.58 118.35 2wmu h GLU 248 Ca -0.37 -0.15 -0.56 0.00 -0.13 0.00 0.00 59.36 58.16 2wmu h GLU 248 Cb 1.17 -0.18 -0.07 0.00 0.63 0.00 0.00 28.75 30.31 2wmu h GLU 248 CO 0.65 0.79 0.97 1.21 -0.73 0.00 0.00 179.01 181.90 2wmu s ASN 249 N -6.45 6.52 0.63 1.04 3.84 -1.26 -4.66 114.94 114.60 2wmu s ASN 249 Ca -0.11 0.41 0.35 0.00 0.21 0.00 0.00 52.86 53.72 2wmu s ASN 249 Cb 0.16 -2.55 1.93 0.00 -0.55 0.00 0.00 41.25 40.24 2wmu s ASN 249 CO 0.81 -1.36 2.08 1.55 -2.79 0.00 0.00 177.10 177.38 2wmu h PRO 250 N 9.61 0.00 0.00 0.43 0.13 -1.96 0.23 132.00 140.43 2wmu h PRO 250 Ca -0.24 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.79 2wmu h PRO 250 Cb 1.07 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 2wmu h PRO 250 CO 1.14 0.00 -0.81 0.77 -0.23 0.00 0.00 178.00 178.87 2wmu h SER 251 N 0.00 0.00 0.91 1.44 0.02 -1.93 -3.28 113.55 110.71 2wmu h SER 251 Ca 0.00 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 2wmu h SER 251 Cb 0.33 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 2wmu h SER 251 CO 0.00 0.38 -1.15 0.00 -1.14 0.00 0.00 176.83 174.92 2wmu h ALA 252 N 1.62 0.61 -2.85 3.77 0.00 -0.96 -3.48 119.26 117.97 2wmu h ALA 252 Ca -0.05 -0.47 -0.55 0.00 0.00 0.00 0.00 54.91 53.85 2wmu h ALA 252 Cb 1.34 0.14 0.11 0.00 0.00 0.00 0.00 17.79 19.37 2wmu h ALA 252 CO 0.04 0.51 0.74 -2.13 0.00 0.00 0.00 179.25 178.42 2wmu n ARG 253 N -2.84 2.59 -1.82 0.00 0.63 -0.61 -4.93 116.66 109.69 2wmu n ARG 253 Ca -0.05 0.91 -0.39 0.00 -0.92 0.00 0.00 57.85 57.40 2wmu n ARG 253 Cb 0.71 -2.62 0.02 0.00 0.45 0.00 0.00 32.46 31.02 2wmu n ARG 253 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 2wmu s ILE 254 N -1.00 2.12 0.38 5.15 2.07 -0.75 -5.02 121.20 124.14 2wmu s ILE 254 Ca 0.55 0.10 0.07 0.00 -1.41 0.00 0.00 60.65 59.96 2wmu s ILE 254 Cb -0.49 -3.06 -0.00 0.00 0.13 0.00 0.00 42.46 39.04 2wmu s ILE 254 CO 0.62 0.01 0.51 0.42 -1.91 0.00 0.00 174.94 174.59 2wmu s THR 255 N -1.24 3.49 0.30 4.00 -4.23 -1.26 -4.93 115.64 111.78 2wmu s THR 255 Ca 0.64 -1.02 0.02 0.00 -1.18 0.00 0.00 61.69 60.15 2wmu s THR 255 Cb -0.42 -3.19 0.14 0.00 1.34 0.00 0.00 72.50 70.36 2wmu s THR 255 CO 0.53 -0.08 1.82 0.40 -0.54 0.00 0.00 174.62 176.76 2wmu h ILE 256 N 0.78 1.22 -0.76 2.99 2.04 -1.98 -0.49 117.51 121.31 2wmu h ILE 256 Ca -0.43 -0.90 -0.02 0.00 1.00 0.00 0.00 64.86 64.51 2wmu h ILE 256 Cb 1.27 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 38.27 2wmu h ILE 256 CO 0.49 0.31 0.41 -0.65 0.00 0.00 0.00 178.15 178.71 2wmu h PRO 257 N 0.58 1.07 -0.37 2.37 0.11 -2.01 -2.38 132.00 131.36 2wmu h PRO 257 Ca 0.12 -0.13 -0.08 0.00 0.11 0.00 0.00 66.00 66.02 2wmu h PRO 257 Cb 0.40 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.29 2wmu h PRO 257 CO 0.02 0.80 -0.09 -0.44 -0.21 0.00 0.00 178.00 178.08 2wmu h ASP 258 N 1.06 0.61 -0.72 -2.05 3.32 -1.72 -3.09 116.42 113.83 2wmu h ASP 258 Ca 0.27 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 2wmu h ASP 258 Cb 0.05 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 2wmu h ASP 258 CO -0.04 0.74 0.38 0.40 -1.72 0.00 0.00 179.24 179.00 2wmu h ILE 259 N 0.58 1.22 -0.32 0.35 2.04 -0.62 -2.19 117.51 118.58 2wmu h ILE 259 Ca 0.11 -0.59 -0.02 0.00 1.00 0.00 0.00 64.86 65.36 2wmu h ILE 259 Cb 0.50 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 2wmu h ILE 259 CO 0.03 0.26 0.12 0.11 0.00 0.00 0.00 178.15 178.67 2wmu h LYS 260 N 1.03 0.44 -0.05 2.37 1.57 -1.39 -1.26 116.57 119.27 2wmu h LYS 260 Ca 0.26 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 2wmu h LYS 260 Cb 0.06 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.28 2wmu h LYS 260 CO -0.04 0.37 0.00 1.63 -0.57 0.00 0.00 179.45 180.85 2wmu n LYS 261 N -4.40 1.55 -1.97 3.15 5.02 -0.86 -4.64 118.16 116.01 2wmu n LYS 261 Ca 0.02 -0.81 -0.39 0.00 -2.02 0.00 0.00 58.31 55.11 2wmu n LYS 261 Cb 0.14 -1.45 0.01 0.00 -0.02 0.00 0.00 35.03 33.71 2wmu n LYS 261 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2wmu s ASP 262 N -1.85 5.92 0.14 4.39 2.15 -0.48 -4.95 116.67 121.99 2wmu s ASP 262 Ca 0.37 2.67 -0.15 0.00 0.43 0.00 0.00 52.55 55.87 2wmu s ASP 262 Cb 0.20 -2.63 0.01 0.00 -0.30 0.00 0.00 42.92 40.19 2wmu s ASP 262 CO 0.31 -1.12 1.68 -0.09 -0.17 0.00 0.00 175.17 175.79 2wmu h ARG 263 N 2.17 0.65 -0.64 4.34 2.43 -1.91 -2.88 114.38 118.54 2wmu h ARG 263 Ca -0.50 -0.12 -0.09 0.00 -0.81 0.00 0.00 59.98 58.46 2wmu h ARG 263 Cb 1.26 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.69 2wmu h ARG 263 CO 0.60 0.61 0.06 2.35 -1.51 0.00 0.00 179.97 182.08 2wmu h TRP 264 N 0.56 1.18 0.00 2.20 7.01 -1.93 -2.86 115.95 122.10 2wmu h TRP 264 Ca 0.14 -0.18 -0.00 0.00 2.11 0.00 0.00 58.89 60.96 2wmu h TRP 264 Cb 0.21 -0.32 -0.00 0.00 -2.10 0.00 0.00 29.16 26.95 2wmu h TRP 264 CO 0.00 1.01 -0.00 -0.92 -2.79 0.00 0.00 178.44 175.74 2wmu h TYR 265 N 1.01 0.00 -0.29 2.65 5.03 -1.82 -1.86 116.97 121.69 2wmu h TYR 265 Ca 0.19 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.48 2wmu h TYR 265 Cb 0.50 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.77 2wmu h TYR 265 CO 0.04 0.00 0.00 0.09 -1.32 0.00 0.00 178.16 176.97 2wmu n ASN 266 N -4.23 3.91 -4.71 -2.11 3.02 -1.10 -4.98 115.26 105.06 2wmu n ASN 266 Ca -0.03 -3.07 -0.39 0.00 -0.03 0.00 0.00 54.58 51.06 2wmu n ASN 266 Cb 0.09 -0.56 -0.05 0.00 -0.61 0.00 0.00 39.78 38.64 2wmu n ASN 266 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2wmu s LYS 267 N -2.86 4.37 -0.03 3.52 2.20 -0.70 -5.03 119.74 121.21 2wmu s LYS 267 Ca 0.43 0.66 -0.30 0.00 -0.36 0.00 0.00 55.97 56.40 2wmu s LYS 267 Cb 0.35 -3.45 -0.05 0.00 -1.51 0.00 0.00 37.83 33.17 2wmu s LYS 267 CO 0.09 0.08 1.41 -2.14 -0.36 0.00 0.00 175.35 174.43 2wmu s PRO 268 N 0.81 4.26 0.08 4.03 0.02 -1.26 -5.01 135.00 137.92 2wmu s PRO 268 Ca 0.31 1.95 0.09 0.00 0.02 0.00 0.00 61.00 63.37 2wmu s PRO 268 Cb -0.16 -3.66 -0.03 0.00 0.02 0.00 0.00 34.50 30.67 2wmu s PRO 268 CO 0.14 -0.63 -0.24 -0.51 -0.33 0.00 0.00 177.00 175.43 2wmu s LEU 269 N 2.77 2.24 0.00 -5.54 1.43 -1.26 -5.15 118.68 113.17 2wmu s LEU 269 Ca 0.64 -0.64 0.26 0.00 -1.03 0.00 0.00 54.13 53.36 2wmu s LEU 269 Cb -0.30 -1.10 1.57 0.00 0.03 0.00 0.00 46.19 46.39 2wmu s LEU 269 CO 0.25 0.17 1.92 0.29 0.23 0.00 0.00 176.35 179.21