#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cw3 s VAL 8 N 0.00 3.49 0.58 0.00 1.01 -1.26 -5.11 120.40 119.11 1cw3 s VAL 8 Ca 0.00 -0.53 -0.19 0.00 0.00 0.00 0.00 61.98 61.26 1cw3 s VAL 8 Cb 0.00 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 1cw3 s VAL 8 CO 0.00 0.54 1.21 -2.16 0.00 0.00 0.00 175.10 174.70 1cw3 s PRO 9 N -0.11 3.03 0.08 2.72 0.04 -1.26 -4.92 135.00 134.59 1cw3 s PRO 9 Ca 0.00 1.84 -0.31 0.00 0.04 0.00 0.00 61.00 62.58 1cw3 s PRO 9 Cb -0.13 -1.97 -0.09 0.00 0.04 0.00 0.00 34.50 32.34 1cw3 s PRO 9 CO 0.03 -1.16 1.80 0.00 0.04 0.00 0.00 177.00 177.71 1cw3 s ALA 10 N -1.58 3.70 0.61 8.56 0.00 -1.26 -4.98 121.76 126.82 1cw3 s ALA 10 Ca 0.76 1.33 -0.14 0.00 0.00 0.00 0.00 51.96 53.92 1cw3 s ALA 10 Cb -0.31 -3.76 -0.03 0.00 0.00 0.00 0.00 23.12 19.02 1cw3 s ALA 10 CO 0.34 -1.27 1.04 -1.25 0.00 0.00 0.00 175.76 174.62 1cw3 s PRO 11 N 3.10 3.34 -0.54 0.00 0.04 -1.26 -5.01 135.00 134.67 1cw3 s PRO 11 Ca 0.80 1.05 -0.17 0.00 0.04 0.00 0.00 61.00 62.72 1cw3 s PRO 11 Cb -0.43 -2.04 0.11 0.00 0.04 0.00 0.00 34.50 32.18 1cw3 s PRO 11 CO 0.36 -0.78 0.56 1.21 0.04 0.00 0.00 177.00 178.39 1cw3 s ASN 12 N -3.24 6.18 0.00 6.66 3.84 -1.26 -4.92 114.94 122.20 1cw3 s ASN 12 Ca 0.60 -1.55 0.02 0.00 0.21 0.00 0.00 52.86 52.15 1cw3 s ASN 12 Cb -0.14 -2.24 0.11 0.00 -0.55 0.00 0.00 41.25 38.43 1cw3 s ASN 12 CO 0.42 -0.91 0.77 0.00 -2.79 0.00 0.00 177.10 174.60 1cw3 n GLN 13 N 5.65 0.04 -3.07 0.43 6.02 -1.26 -3.24 117.38 121.96 1cw3 n GLN 13 Ca -0.12 0.16 -0.18 0.00 -0.01 0.00 0.00 57.00 56.86 1cw3 n GLN 13 Cb 0.42 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 30.15 1cw3 n GLN 13 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1cw3 n GLN 14 N -1.18 0.83 -1.93 -1.09 6.02 -1.26 -5.02 117.38 113.75 1cw3 n GLN 14 Ca 0.01 -2.88 -0.39 0.00 -0.01 0.00 0.00 57.00 53.73 1cw3 n GLN 14 Cb 0.01 -1.38 0.02 0.00 1.02 0.00 0.00 30.24 29.91 1cw3 n GLN 14 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1cw3 s PRO 15 N -1.07 3.57 0.43 -1.09 0.04 -1.20 -4.99 135.00 130.69 1cw3 s PRO 15 Ca 0.35 2.18 -0.22 0.00 0.04 0.00 0.00 61.00 63.34 1cw3 s PRO 15 Cb 0.24 -2.50 -0.09 0.00 0.04 0.00 0.00 34.50 32.19 1cw3 s PRO 15 CO -0.12 -0.83 1.03 -2.00 0.04 0.00 0.00 177.00 175.13 1cw3 s GLU 16 N -2.60 4.06 -0.19 4.56 2.12 -1.26 -5.03 118.70 120.35 1cw3 s GLU 16 Ca 0.64 1.42 -0.09 0.00 0.36 0.00 0.00 54.97 57.30 1cw3 s GLU 16 Cb -0.39 -2.36 -0.05 0.00 0.26 0.00 0.00 34.13 31.60 1cw3 s GLU 16 CO 0.48 -0.22 0.10 0.08 -0.54 0.00 0.00 175.26 175.15 1cw3 s VAL 17 N -1.82 5.08 -0.03 3.70 1.01 -1.26 -4.97 120.40 122.12 1cw3 s VAL 17 Ca 0.61 0.07 0.08 0.00 0.00 0.00 0.00 61.98 62.75 1cw3 s VAL 17 Cb -0.19 -3.31 -0.12 0.00 0.00 0.00 0.00 36.38 32.76 1cw3 s VAL 17 CO 0.23 0.45 0.15 0.49 0.00 0.00 0.00 175.10 176.42 1cw3 n PHE 18 N 3.56 0.00 -3.91 5.22 3.01 -1.26 -4.97 117.46 119.10 1cw3 n PHE 18 Ca -0.16 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.03 1cw3 n PHE 18 Cb 0.52 -0.24 -0.17 0.00 -0.01 0.00 0.00 39.48 39.58 1cw3 n PHE 18 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1cw3 n ASN 20 N 4.93 0.13 -2.01 0.00 2.04 -1.26 -4.69 115.26 114.39 1cw3 n ASN 20 Ca -0.13 -1.91 -0.01 0.00 -0.44 0.00 0.00 54.58 52.08 1cw3 n ASN 20 Cb 0.50 -0.06 -0.00 0.00 -2.53 0.00 0.00 39.78 37.68 1cw3 n ASN 20 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1cw3 n GLN 21 N 0.23 1.71 -3.32 -3.83 6.02 -1.26 -1.08 117.38 115.86 1cw3 n GLN 21 Ca -0.07 -0.18 -0.38 0.00 -0.01 0.00 0.00 57.00 56.37 1cw3 n GLN 21 Cb 0.89 0.06 -0.06 0.00 1.02 0.00 0.00 30.24 32.15 1cw3 n GLN 21 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1cw3 s ILE 22 N -1.20 5.05 -0.40 5.09 1.01 0.08 -4.74 121.20 126.09 1cw3 s ILE 22 Ca 0.00 1.03 -0.14 0.00 0.00 0.00 0.00 60.65 61.54 1cw3 s ILE 22 Cb 0.00 -3.83 0.02 0.00 0.01 0.00 0.00 42.46 38.66 1cw3 s ILE 22 CO 0.00 0.42 0.27 0.12 0.00 0.00 0.00 174.94 175.75 1cw3 s PHE 23 N -0.06 3.24 -0.01 3.97 5.36 -0.43 -0.56 117.98 129.49 1cw3 s PHE 23 Ca 0.27 -0.71 0.00 0.00 -0.96 0.00 0.00 56.93 55.54 1cw3 s PHE 23 Cb -0.17 -2.54 0.01 0.00 -0.34 0.00 0.00 43.02 39.98 1cw3 s PHE 23 CO 0.13 -0.61 -0.01 0.42 -1.46 0.00 0.00 175.22 173.70 1cw3 s ILE 24 N 1.64 0.13 -1.66 3.12 1.01 -0.44 -0.98 121.20 124.02 1cw3 s ILE 24 Ca 0.04 -0.01 -0.18 0.00 0.00 0.00 0.00 60.65 60.50 1cw3 s ILE 24 Cb -0.19 -0.16 0.15 0.00 0.01 0.00 0.00 42.46 42.28 1cw3 s ILE 24 CO 0.09 0.07 0.77 0.59 0.00 0.00 0.00 174.94 176.46 1cw3 n ASN 25 N 3.42 -3.39 -0.53 3.58 3.02 -1.26 -0.39 115.26 119.72 1cw3 n ASN 25 Ca -0.18 -0.95 -0.07 0.00 -0.03 0.00 0.00 54.58 53.36 1cw3 n ASN 25 Cb 0.56 -2.77 -0.03 0.00 -0.61 0.00 0.00 39.78 36.93 1cw3 n ASN 25 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1cw3 n ASN 26 N -2.61 -4.83 -4.38 6.41 5.03 -1.26 -4.63 115.26 108.98 1cw3 n ASN 26 Ca 0.07 0.17 -0.25 0.00 0.87 0.00 0.00 54.58 55.45 1cw3 n ASN 26 Cb 0.49 -2.94 -0.11 0.00 -1.02 0.00 0.00 39.78 36.20 1cw3 n ASN 26 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1cw3 s GLU 27 N -2.25 1.41 -0.12 3.52 2.02 0.48 -5.02 118.70 118.75 1cw3 s GLU 27 Ca 0.00 -1.47 -0.16 0.00 0.02 0.00 0.00 54.97 53.36 1cw3 s GLU 27 Cb 0.00 -1.61 -0.05 0.00 0.10 0.00 0.00 34.13 32.57 1cw3 s GLU 27 CO 0.00 0.34 0.40 -1.58 0.02 0.00 0.00 175.26 174.44 1cw3 s TRP 28 N -1.84 3.52 0.06 1.61 0.52 -1.26 -1.32 118.94 120.23 1cw3 s TRP 28 Ca 0.19 0.79 0.04 0.00 0.02 0.00 0.00 56.10 57.13 1cw3 s TRP 28 Cb -0.07 -2.43 -0.03 0.00 -1.15 0.00 0.00 33.47 29.79 1cw3 s TRP 28 CO 0.08 0.27 -0.11 -1.01 0.02 0.00 0.00 176.95 176.20 1cw3 s HIS 29 N 0.31 0.97 0.50 -1.98 3.76 0.28 -4.93 115.29 114.19 1cw3 s HIS 29 Ca 0.22 -0.51 -0.05 0.00 -0.15 0.00 0.00 55.06 54.57 1cw3 s HIS 29 Cb -0.14 -0.56 -0.03 0.00 1.11 0.00 0.00 32.58 32.96 1cw3 s HIS 29 CO 0.08 -0.01 0.80 -0.51 -0.85 0.00 0.00 174.74 174.25 1cw3 s ASP 30 N -1.79 6.14 0.66 1.40 -0.00 -1.26 -0.74 116.67 121.07 1cw3 s ASP 30 Ca -0.04 0.86 -0.18 0.00 -0.00 0.00 0.00 52.55 53.20 1cw3 s ASP 30 Cb -0.09 -2.13 -0.00 0.00 -0.00 0.00 0.00 42.92 40.70 1cw3 s ASP 30 CO 0.01 -0.66 1.28 0.00 -0.00 0.00 0.00 175.17 175.80 1cw3 s ALA 31 N -2.77 2.34 0.43 5.23 0.00 -1.26 -4.83 121.76 120.90 1cw3 s ALA 31 Ca 0.48 1.16 0.12 0.00 0.00 0.00 0.00 51.96 53.73 1cw3 s ALA 31 Cb -0.10 -3.54 0.99 0.00 0.00 0.00 0.00 23.12 20.47 1cw3 s ALA 31 CO 0.45 -1.63 2.01 0.28 0.00 0.00 0.00 175.76 176.87 1cw3 h VAL 32 N 0.43 0.96 0.00 0.00 2.07 -1.95 0.27 116.25 118.03 1cw3 h VAL 32 Ca -0.50 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1cw3 h VAL 32 Cb 1.33 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1cw3 h VAL 32 CO 0.53 0.08 -0.01 -1.54 0.02 0.00 0.00 177.57 176.65 1cw3 n SER 33 N -4.47 0.18 0.00 0.57 3.41 -1.26 -4.90 113.62 107.15 1cw3 n SER 33 Ca 0.07 0.50 0.00 0.00 -0.26 0.00 0.00 58.87 59.19 1cw3 n SER 33 Cb 0.27 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.66 1cw3 n SER 33 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1cw3 n ARG 34 N -1.67 0.00 -2.24 4.33 5.12 0.93 -4.97 116.66 118.17 1cw3 n ARG 34 Ca 0.07 0.00 -0.35 0.00 -1.93 0.00 0.00 57.85 55.63 1cw3 n ARG 34 Cb 0.36 -3.49 0.00 0.00 -1.16 0.00 0.00 32.46 28.18 1cw3 n ARG 34 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1cw3 s LYS 35 N -0.49 3.34 0.14 5.56 1.02 -1.26 -4.82 119.74 123.24 1cw3 s LYS 35 Ca 0.00 1.64 0.01 0.00 0.02 0.00 0.00 55.97 57.64 1cw3 s LYS 35 Cb 0.00 -2.01 -0.04 0.00 -0.52 0.00 0.00 37.83 35.25 1cw3 s LYS 35 CO 0.00 -0.87 0.00 0.95 -0.92 0.00 0.00 175.35 174.52 1cw3 s THR 36 N -1.75 0.52 0.00 2.17 -4.23 -1.26 -1.19 115.64 109.90 1cw3 s THR 36 Ca 0.73 -1.95 0.01 0.00 -1.18 0.00 0.00 61.69 59.30 1cw3 s THR 36 Cb -0.25 -2.00 -0.00 0.00 1.34 0.00 0.00 72.50 71.59 1cw3 s THR 36 CO 0.28 -0.56 -0.03 0.72 -0.54 0.00 0.00 174.62 174.48 1cw3 s PHE 37 N -3.76 0.29 0.32 3.99 -0.12 0.22 -4.80 117.98 114.12 1cw3 s PHE 37 Ca 0.21 -0.08 -0.25 0.00 -0.05 0.00 0.00 56.93 56.76 1cw3 s PHE 37 Cb 0.06 -0.18 -0.10 0.00 -0.63 0.00 0.00 43.02 42.17 1cw3 s PHE 37 CO 0.01 -0.01 0.91 -1.25 -0.05 0.00 0.00 175.22 174.83 1cw3 s PRO 38 N -0.17 4.50 -0.13 1.99 0.04 -1.26 -0.66 135.00 139.31 1cw3 s PRO 38 Ca 0.00 1.24 -0.00 0.00 0.04 0.00 0.00 61.00 62.28 1cw3 s PRO 38 Cb -0.02 -2.74 -0.02 0.00 0.04 0.00 0.00 34.50 31.76 1cw3 s PRO 38 CO -0.00 0.26 -0.12 -0.08 0.04 0.00 0.00 177.00 177.10 1cw3 s THR 39 N -1.67 3.13 0.06 1.26 -1.32 -0.78 -4.95 115.64 111.38 1cw3 s THR 39 Ca 0.50 -0.64 -0.01 0.00 -1.21 0.00 0.00 61.69 60.34 1cw3 s THR 39 Cb -0.17 -2.32 -0.04 0.00 -1.51 0.00 0.00 72.50 68.46 1cw3 s THR 39 CO 0.22 0.52 0.23 -0.69 -2.21 0.00 0.00 174.62 172.70 1cw3 s VAL 40 N 0.30 5.36 -0.39 5.08 1.01 -1.26 -0.48 120.40 130.02 1cw3 s VAL 40 Ca -0.09 -0.30 -0.22 0.00 0.00 0.00 0.00 61.98 61.37 1cw3 s VAL 40 Cb -0.16 -3.62 0.01 0.00 0.00 0.00 0.00 36.38 32.62 1cw3 s VAL 40 CO 0.05 0.15 0.70 0.21 0.00 0.00 0.00 175.10 176.21 1cw3 s ASN 41 N -2.44 6.43 0.29 3.32 3.04 -0.08 -4.76 114.94 120.74 1cw3 s ASN 41 Ca 0.35 0.04 0.23 0.00 0.04 0.00 0.00 52.86 53.52 1cw3 s ASN 41 Cb -0.13 -2.35 1.06 0.00 -1.54 0.00 0.00 41.25 38.29 1cw3 s ASN 41 CO 0.27 -0.73 1.69 -0.81 -3.04 0.00 0.00 177.10 174.48 1cw3 n PRO 42 N 6.31 0.17 0.05 0.43 -0.04 -1.26 0.25 135.00 140.91 1cw3 n PRO 42 Ca 0.00 0.52 -0.07 0.00 -0.04 0.00 0.00 63.50 63.91 1cw3 n PRO 42 Cb 0.48 -1.91 -0.12 0.00 -0.04 0.00 0.00 33.50 31.91 1cw3 n PRO 42 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1cw3 h SER 43 N 0.00 0.00 0.00 3.54 0.02 -1.88 -1.71 113.55 113.52 1cw3 h SER 43 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1cw3 h SER 43 Cb 0.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.75 1cw3 h SER 43 CO 0.00 0.99 -1.22 0.35 -1.14 0.00 0.00 176.83 175.81 1cw3 n THR 44 N -3.30 0.00 -0.92 -2.27 -2.24 -1.05 -3.57 114.28 100.93 1cw3 n THR 44 Ca -0.03 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1cw3 n THR 44 Cb 0.95 0.40 0.00 0.00 -2.10 0.00 0.00 70.33 69.58 1cw3 n THR 44 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cw3 n GLY 45 N 2.05 0.96 3.86 3.38 0.00 0.14 -4.41 105.19 111.18 1cw3 n GLY 45 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 1cw3 n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cw3 s GLU 46 N -0.10 3.87 0.14 1.61 0.41 -1.23 -4.79 118.70 118.61 1cw3 s GLU 46 Ca 0.00 0.53 -0.30 0.00 -0.41 0.00 0.00 54.97 54.79 1cw3 s GLU 46 Cb 0.00 -2.43 -0.07 0.00 -1.78 0.00 0.00 34.13 29.85 1cw3 s GLU 46 CO 0.00 0.08 1.14 0.08 -0.49 0.00 0.00 175.26 176.07 1cw3 s VAL 47 N -2.16 3.89 -0.13 2.63 1.01 -1.26 -0.91 120.40 123.47 1cw3 s VAL 47 Ca 0.52 1.53 -0.11 0.00 0.00 0.00 0.00 61.98 63.92 1cw3 s VAL 47 Cb -0.10 -3.98 -0.08 0.00 0.00 0.00 0.00 36.38 32.21 1cw3 s VAL 47 CO 0.25 0.22 0.16 0.40 0.00 0.00 0.00 175.10 176.12 1cw3 h ILE 48 N 3.98 0.50 -2.45 2.22 2.04 -1.11 -3.46 117.51 119.23 1cw3 h ILE 48 Ca -0.43 -1.43 0.09 0.00 1.00 0.00 0.00 64.86 64.09 1cw3 h ILE 48 Cb 1.21 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 1cw3 h ILE 48 CO 0.75 0.17 0.40 0.00 0.00 0.00 0.00 178.15 179.48 1cw3 s GLN 50 N -2.05 3.38 -0.01 0.00 2.00 -1.26 -1.87 119.66 119.86 1cw3 s GLN 50 Ca 0.17 -0.46 0.02 0.00 -2.00 0.00 0.00 55.36 53.09 1cw3 s GLN 50 Cb -0.03 -3.01 -0.01 0.00 0.80 0.00 0.00 33.01 30.77 1cw3 s GLN 50 CO 0.06 0.61 -0.07 0.08 -0.50 0.00 0.00 175.29 175.46 1cw3 s VAL 51 N -1.49 0.56 0.11 1.34 1.01 0.17 -4.86 120.40 117.24 1cw3 s VAL 51 Ca 0.34 -0.30 -0.34 0.00 0.00 0.00 0.00 61.98 61.68 1cw3 s VAL 51 Cb -0.13 -0.47 -0.14 0.00 0.00 0.00 0.00 36.38 35.64 1cw3 s VAL 51 CO 0.27 0.16 1.63 0.00 0.00 0.00 0.00 175.10 177.16 1cw3 n ALA 52 N 2.91 1.19 -3.20 5.51 0.00 -0.24 -0.61 120.51 126.08 1cw3 n ALA 52 Ca -0.13 0.42 -0.46 0.00 0.00 0.00 0.00 53.44 53.27 1cw3 n ALA 52 Cb 0.58 -2.37 -0.02 0.00 0.00 0.00 0.00 19.45 17.63 1cw3 n ALA 52 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1cw3 s GLU 53 N 1.50 3.62 0.66 0.00 2.12 -0.33 -4.45 118.70 121.83 1cw3 s GLU 53 Ca 0.82 -2.26 -0.16 0.00 0.36 0.00 0.00 54.97 53.73 1cw3 s GLU 53 Cb -0.69 -4.60 0.00 0.00 0.26 0.00 0.00 34.13 29.10 1cw3 s GLU 53 CO 0.41 -1.45 1.16 0.20 -0.54 0.00 0.00 175.26 175.04 1cw3 s GLY 54 N 2.62 2.35 0.00 -1.50 0.00 0.37 -4.79 107.32 106.38 1cw3 s GLY 54 Ca 0.23 0.75 0.00 0.00 0.00 0.00 0.00 44.72 45.71 1cw3 s GLY 54 CO -0.09 1.13 0.00 1.34 0.00 0.00 0.00 173.10 175.48 1cw3 n ASP 55 N -2.30 0.00 -0.28 1.64 -0.08 -1.26 -4.23 116.55 110.05 1cw3 n ASP 55 Ca 0.12 -0.86 0.10 0.00 -1.51 0.00 0.00 54.79 52.64 1cw3 n ASP 55 Cb 0.51 0.00 0.25 0.00 2.34 0.00 0.00 41.12 44.22 1cw3 n ASP 55 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1cw3 h LYS 56 N 0.00 0.29 -0.20 -0.67 3.64 -1.90 -0.88 116.57 116.85 1cw3 h LYS 56 Ca 0.00 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.29 1cw3 h LYS 56 Cb 0.00 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1cw3 h LYS 56 CO 0.00 0.19 -0.17 0.93 -2.27 0.00 0.00 179.45 178.13 1cw3 h GLU 57 N 0.30 0.35 -0.01 1.90 5.08 -1.98 -0.51 114.58 119.71 1cw3 h GLU 57 Ca 0.50 -0.10 -0.22 0.00 -1.00 0.00 0.00 59.36 58.54 1cw3 h GLU 57 Cb 0.93 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1cw3 h GLU 57 CO -0.55 0.52 -0.92 -0.44 -1.00 0.00 0.00 179.01 176.61 1cw3 h ASP 58 N 0.32 0.55 -0.51 1.42 3.32 -1.59 -2.64 116.42 117.29 1cw3 h ASP 58 Ca 0.06 -0.43 -0.08 0.00 0.02 0.00 0.00 57.03 56.59 1cw3 h ASP 58 Cb 0.49 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 1cw3 h ASP 58 CO 0.03 1.22 -0.01 0.58 -1.72 0.00 0.00 179.24 179.35 1cw3 h VAL 59 N 0.25 1.26 -0.56 -1.35 2.07 -1.00 -1.76 116.25 115.17 1cw3 h VAL 59 Ca -0.08 -1.09 -0.01 0.00 0.82 0.00 0.00 66.70 66.34 1cw3 h VAL 59 Cb 1.55 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 32.25 1cw3 h VAL 59 CO 0.16 0.39 0.32 0.44 0.02 0.00 0.00 177.57 178.90 1cw3 h ASP 60 N 0.76 0.67 0.05 0.57 5.19 -1.07 0.11 116.42 122.70 1cw3 h ASP 60 Ca 0.14 -0.04 -0.00 0.00 -0.62 0.00 0.00 57.03 56.51 1cw3 h ASP 60 Cb 0.53 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.87 1cw3 h ASP 60 CO 0.03 0.53 -0.03 0.11 -3.12 0.00 0.00 179.24 176.76 1cw3 h LYS 61 N 0.77 -0.07 -0.44 3.56 1.57 -1.11 -2.40 116.57 118.45 1cw3 h LYS 61 Ca 0.20 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 59.03 1cw3 h LYS 61 Cb -0.01 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 1cw3 h LYS 61 CO -0.04 0.25 0.18 0.00 -0.57 0.00 0.00 179.45 179.27 1cw3 h ALA 62 N 0.53 0.54 -0.58 3.86 0.00 -0.65 -1.69 119.26 121.27 1cw3 h ALA 62 Ca -0.01 0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1cw3 h ALA 62 Cb 0.35 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1cw3 h ALA 62 CO 0.01 -0.19 0.35 0.28 0.00 0.00 0.00 179.25 179.69 1cw3 h VAL 63 N 0.37 1.05 -0.78 0.00 2.07 -0.79 0.27 116.25 118.45 1cw3 h VAL 63 Ca 0.20 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 1cw3 h VAL 63 Cb 0.16 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 30.20 1cw3 h VAL 63 CO -0.18 0.12 0.41 0.11 0.02 0.00 0.00 177.57 178.05 1cw3 h LYS 64 N 0.68 1.10 -0.43 1.57 1.57 -0.87 0.53 116.57 120.71 1cw3 h LYS 64 Ca 0.24 -0.13 -0.11 0.00 -1.87 0.00 0.00 60.65 58.77 1cw3 h LYS 64 Cb 0.04 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 1cw3 h LYS 64 CO -0.11 0.82 -0.15 0.00 -0.57 0.00 0.00 179.45 179.44 1cw3 h ALA 65 N 1.35 0.59 -0.23 3.86 0.00 -0.58 -1.24 119.26 123.01 1cw3 h ALA 65 Ca 0.27 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1cw3 h ALA 65 Cb 0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1cw3 h ALA 65 CO -0.04 0.52 0.02 0.00 0.00 0.00 0.00 179.25 179.75 1cw3 h ALA 66 N 0.84 0.31 -0.66 0.00 0.00 -0.56 -1.96 119.26 117.23 1cw3 h ALA 66 Ca 0.10 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.85 1cw3 h ALA 66 Cb 0.70 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 1cw3 h ALA 66 CO 0.05 0.01 0.41 -0.09 0.00 0.00 0.00 179.25 179.63 1cw3 h ARG 67 N 0.19 0.78 -0.67 0.00 9.65 -0.84 -1.77 114.38 121.72 1cw3 h ARG 67 Ca 0.07 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 58.90 1cw3 h ARG 67 Cb 0.36 -0.18 -0.03 0.00 -1.39 0.00 0.00 29.97 28.73 1cw3 h ARG 67 CO 0.01 0.52 0.42 0.00 2.80 0.00 0.00 179.97 183.71 1cw3 h ALA 68 N 1.29 0.86 0.00 2.80 0.00 -1.09 -1.39 119.26 121.73 1cw3 h ALA 68 Ca 0.27 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1cw3 h ALA 68 Cb 0.02 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1cw3 h ALA 68 CO -0.11 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.47 1cw3 h ALA 69 N 1.22 1.00 -0.38 0.00 0.00 -0.67 -2.17 119.26 118.25 1cw3 h ALA 69 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1cw3 h ALA 69 Cb -0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1cw3 h ALA 69 CO -0.05 0.00 0.00 0.34 0.00 0.00 0.00 179.25 179.54 1cw3 n PHE 70 N -2.37 0.49 -2.30 0.00 7.35 -0.54 -4.44 117.46 115.64 1cw3 n PHE 70 Ca 0.01 -0.25 -0.41 0.00 -0.76 0.00 0.00 57.45 56.04 1cw3 n PHE 70 Cb 0.19 -0.00 -0.03 0.00 0.35 0.00 0.00 39.48 39.99 1cw3 n PHE 70 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 1cw3 s GLN 71 N -1.48 4.45 0.07 -4.13 -1.52 -0.82 -4.93 119.66 111.30 1cw3 s GLN 71 Ca 0.38 1.96 -0.36 0.00 -1.95 0.00 0.00 55.36 55.39 1cw3 s GLN 71 Cb 0.23 -3.21 -0.16 0.00 -0.22 0.00 0.00 33.01 29.65 1cw3 s GLN 71 CO 0.31 -0.14 1.47 -0.11 -0.25 0.00 0.00 175.29 176.57 1cw3 n LEU 72 N 2.40 2.23 0.00 2.90 7.94 -1.26 -0.20 117.00 131.01 1cw3 n LEU 72 Ca 0.05 1.10 0.00 0.00 -1.11 0.00 0.00 56.01 56.04 1cw3 n LEU 72 Cb 0.44 -1.27 0.00 0.00 0.53 0.00 0.00 43.42 43.12 1cw3 n LEU 72 CO 0.57 -0.72 0.00 0.61 -1.11 0.00 0.00 177.39 176.74 1cw3 n GLY 73 N 3.02 0.45 3.80 -3.96 0.00 -1.26 -5.06 105.19 102.17 1cw3 n GLY 73 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 1cw3 n GLY 73 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cw3 s SER 74 N -2.35 4.97 0.18 1.61 1.04 0.72 -4.77 113.70 115.09 1cw3 s SER 74 Ca 0.00 1.68 -0.16 0.00 0.48 0.00 0.00 55.95 57.95 1cw3 s SER 74 Cb 0.00 -2.48 0.13 0.00 0.10 0.00 0.00 66.02 63.77 1cw3 s SER 74 CO 0.00 -1.71 1.66 -0.65 0.98 0.00 0.00 173.24 173.52 1cw3 h PRO 75 N -0.91 0.01 -0.64 4.02 0.11 -1.87 -0.46 132.00 132.27 1cw3 h PRO 75 Ca -0.44 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 1cw3 h PRO 75 Cb 1.22 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 1cw3 h PRO 75 CO 0.55 0.01 0.28 2.35 -0.21 0.00 0.00 178.00 180.97 1cw3 h TRP 76 N 0.01 0.92 -0.01 0.65 -0.00 -1.93 0.64 115.95 116.24 1cw3 h TRP 76 Ca 0.22 -0.05 -0.21 0.00 -0.00 0.00 0.00 58.89 58.86 1cw3 h TRP 76 Cb 0.34 -0.29 -0.00 0.00 -0.00 0.00 0.00 29.16 29.21 1cw3 h TRP 76 CO -0.38 0.70 -0.89 0.00 -0.00 0.00 0.00 178.44 177.87 1cw3 h ARG 77 N 0.91 0.31 0.00 2.65 2.47 -1.59 -3.30 114.38 115.84 1cw3 h ARG 77 Ca 0.22 -0.33 -0.15 0.00 -1.26 0.00 0.00 59.98 58.46 1cw3 h ARG 77 Cb 0.14 0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.53 1cw3 h ARG 77 CO -0.02 1.02 -0.94 0.00 0.56 0.00 0.00 179.97 180.58 1cw3 h ARG 78 N 0.18 0.00 -6.47 0.04 3.08 -0.91 -3.48 114.38 106.83 1cw3 h ARG 78 Ca -0.06 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.39 1cw3 h ARG 78 Cb 1.51 0.00 0.12 0.00 0.08 0.00 0.00 29.97 31.68 1cw3 h ARG 78 CO 0.15 0.50 0.07 -0.12 -1.07 0.00 0.00 179.97 179.50 1cw3 n MET 79 N -3.12 1.25 -2.09 0.04 1.56 0.20 -4.90 117.12 110.06 1cw3 n MET 79 Ca -0.03 0.44 -0.41 0.00 -0.27 0.00 0.00 57.70 57.43 1cw3 n MET 79 Cb 0.81 -1.82 -0.02 0.00 2.15 0.00 0.00 33.22 34.35 1cw3 n MET 79 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 1cw3 s ASP 80 N -0.62 6.74 0.25 6.12 1.01 -1.26 -4.91 116.67 124.00 1cw3 s ASP 80 Ca 0.60 2.71 -0.03 0.00 0.71 0.00 0.00 52.55 56.53 1cw3 s ASP 80 Cb -0.68 -2.65 0.44 0.00 1.01 0.00 0.00 42.92 41.04 1cw3 s ASP 80 CO 0.59 -0.56 1.79 0.00 0.21 0.00 0.00 175.17 177.20 1cw3 h ALA 81 N 3.44 1.20 -0.22 5.23 0.00 -1.90 0.95 119.26 127.95 1cw3 h ALA 81 Ca -0.49 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1cw3 h ALA 81 Cb 1.23 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1cw3 h ALA 81 CO 0.66 0.01 0.07 0.66 0.00 0.00 0.00 179.25 180.65 1cw3 h SER 82 N 0.70 0.28 0.06 0.00 4.64 -1.91 -1.54 113.55 115.78 1cw3 h SER 82 Ca 0.42 -0.02 -0.12 0.00 -0.47 0.00 0.00 61.79 61.60 1cw3 h SER 82 Cb 0.48 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 1cw3 h SER 82 CO -0.30 0.27 -0.38 -0.74 -0.87 0.00 0.00 176.83 174.81 1cw3 h HIS 83 N 0.31 0.50 -0.54 4.77 6.17 -1.19 -1.40 115.15 123.78 1cw3 h HIS 83 Ca 0.08 -0.14 0.00 0.00 0.71 0.00 0.00 60.37 61.03 1cw3 h HIS 83 Cb 0.09 -0.11 -0.03 0.00 2.52 0.00 0.00 27.41 29.88 1cw3 h HIS 83 CO 0.00 0.75 0.35 0.00 0.71 0.00 0.00 177.93 179.75 1cw3 h ARG 84 N 0.36 0.71 -0.46 5.26 3.08 -0.87 0.90 114.38 123.36 1cw3 h ARG 84 Ca 0.04 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 1cw3 h ARG 84 Cb 0.84 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.71 1cw3 h ARG 84 CO 0.07 0.48 0.18 0.78 -1.07 0.00 0.00 179.97 180.40 1cw3 h GLY 85 N 0.74 0.75 0.99 0.04 0.00 -0.98 -1.06 103.07 103.54 1cw3 h GLY 85 Ca 0.20 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 47.11 1cw3 h GLY 85 CO -0.04 0.39 0.26 3.21 0.00 0.00 0.00 176.54 180.35 1cw3 h ARG 86 N 0.60 0.57 -0.59 4.80 2.47 -0.28 -1.64 114.38 120.32 1cw3 h ARG 86 Ca 0.15 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.83 1cw3 h ARG 86 Cb 0.20 -0.12 -0.03 0.00 -1.65 0.00 0.00 29.97 28.37 1cw3 h ARG 86 CO -0.01 0.41 0.39 -0.07 0.56 0.00 0.00 179.97 181.25 1cw3 h LEU 87 N 0.56 0.68 -0.98 3.04 3.38 -0.71 0.61 115.31 121.90 1cw3 h LEU 87 Ca 0.15 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 1cw3 h LEU 87 Cb -0.01 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1cw3 h LEU 87 CO -0.03 0.50 0.10 -0.07 0.09 0.00 0.00 178.44 179.04 1cw3 h LEU 88 N 0.80 0.80 -0.69 1.67 3.38 -0.92 0.41 115.31 120.76 1cw3 h LEU 88 Ca 0.22 -0.16 -0.14 0.00 0.09 0.00 0.00 57.88 57.89 1cw3 h LEU 88 Cb -0.08 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 1cw3 h LEU 88 CO -0.05 0.80 -0.56 0.78 0.09 0.00 0.00 178.44 179.51 1cw3 h ASN 89 N 0.81 0.32 -0.29 -0.43 2.35 -0.88 -2.05 115.58 115.40 1cw3 h ASN 89 Ca 0.17 -0.17 -0.07 0.00 -0.55 0.00 0.00 56.30 55.69 1cw3 h ASN 89 Cb 0.34 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 1cw3 h ASN 89 CO 0.00 0.81 -0.08 -0.09 -1.65 0.00 0.00 177.43 176.42 1cw3 h ARG 90 N 0.22 0.57 -0.53 0.81 9.65 -0.24 -1.81 114.38 123.04 1cw3 h ARG 90 Ca 0.00 -0.22 0.03 0.00 -1.10 0.00 0.00 59.98 58.69 1cw3 h ARG 90 Cb 1.05 -0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 29.56 1cw3 h ARG 90 CO 0.09 0.77 0.31 1.25 2.80 0.00 0.00 179.97 185.20 1cw3 h LEU 91 N 0.32 0.50 -1.30 3.80 5.85 -0.81 -1.81 115.31 121.87 1cw3 h LEU 91 Ca 0.07 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.83 1cw3 h LEU 91 Cb 0.57 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 1cw3 h LEU 91 CO 0.03 0.35 0.50 0.00 -0.34 0.00 0.00 178.44 178.98 1cw3 h ALA 92 N 1.24 1.56 -0.35 1.25 0.00 -1.23 -1.00 119.26 120.74 1cw3 h ALA 92 Ca 0.22 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 1cw3 h ALA 92 Cb 0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1cw3 h ALA 92 CO -0.10 0.36 -0.21 -0.44 0.00 0.00 0.00 179.25 178.85 1cw3 h ASP 93 N 0.91 0.79 -0.68 0.00 3.32 -0.55 -1.63 116.42 118.58 1cw3 h ASP 93 Ca 0.30 -0.42 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 1cw3 h ASP 93 Cb 0.06 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 1cw3 h ASP 93 CO -0.09 1.04 0.34 -0.07 -1.72 0.00 0.00 179.24 178.74 1cw3 h LEU 94 N 0.53 0.87 -0.69 1.55 3.38 -0.84 -0.02 115.31 120.09 1cw3 h LEU 94 Ca 0.07 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1cw3 h LEU 94 Cb 0.77 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 1cw3 h LEU 94 CO 0.06 0.75 0.24 0.40 0.09 0.00 0.00 178.44 179.97 1cw3 h ILE 95 N 0.94 1.25 -0.17 1.22 2.04 -1.10 -1.76 117.51 119.93 1cw3 h ILE 95 Ca 0.24 -0.84 -0.10 0.00 1.00 0.00 0.00 64.86 65.15 1cw3 h ILE 95 Cb 0.09 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1cw3 h ILE 95 CO -0.03 0.33 -0.33 -0.08 0.00 0.00 0.00 178.15 178.04 1cw3 h GLU 96 N 1.00 0.34 -0.46 2.37 4.81 -0.86 -0.31 114.58 121.46 1cw3 h GLU 96 Ca 0.23 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1cw3 h GLU 96 Cb 0.27 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 1cw3 h GLU 96 CO -0.01 0.64 0.26 -0.09 -0.73 0.00 0.00 179.01 179.08 1cw3 h ARG 97 N 0.29 0.64 -0.80 1.92 2.43 -0.51 -2.42 114.38 115.93 1cw3 h ARG 97 Ca 0.04 -0.07 -0.20 0.00 -0.81 0.00 0.00 59.98 58.94 1cw3 h ARG 97 Cb 0.73 -0.13 -0.12 0.00 -0.42 0.00 0.00 29.97 30.03 1cw3 h ARG 97 CO 0.06 0.49 0.25 -0.25 -1.51 0.00 0.00 179.97 179.01 1cw3 n ASP 98 N -4.70 4.42 -0.12 -3.80 8.00 -0.71 -4.66 116.55 114.99 1cw3 n ASP 98 Ca 0.01 -3.05 -0.05 0.00 0.71 0.00 0.00 54.79 52.41 1cw3 n ASP 98 Cb 0.07 -0.72 0.03 0.00 -0.02 0.00 0.00 41.12 40.49 1cw3 n ASP 98 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1cw3 h ARG 99 N 2.26 0.25 -0.59 -1.24 2.43 -0.53 -0.54 114.38 116.42 1cw3 h ARG 99 Ca 0.24 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.39 1cw3 h ARG 99 Cb 2.14 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 31.61 1cw3 h ARG 99 CO 0.66 0.16 0.32 1.15 -1.51 0.00 0.00 179.97 180.75 1cw3 h THR 100 N 0.26 1.20 0.47 0.20 2.02 -1.83 -1.31 112.91 113.91 1cw3 h THR 100 Ca 0.19 -0.50 -0.02 0.00 0.77 0.00 0.00 66.41 66.85 1cw3 h THR 100 Cb 0.21 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 67.07 1cw3 h THR 100 CO -0.23 0.21 -0.23 0.22 0.37 0.00 0.00 175.52 175.87 1cw3 h TYR 101 N 0.81 -0.59 0.00 3.16 3.20 -1.82 -2.43 116.97 119.30 1cw3 h TYR 101 Ca 0.21 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.05 1cw3 h TYR 101 Cb 0.05 0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.52 1cw3 h TYR 101 CO -0.01 -0.30 -0.07 -0.07 -1.64 0.00 0.00 178.16 176.07 1cw3 h LEU 102 N -0.79 0.00 -0.28 2.82 3.38 -1.09 -0.22 115.31 119.13 1cw3 h LEU 102 Ca -0.06 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 1cw3 h LEU 102 Cb 0.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1cw3 h LEU 102 CO 0.11 0.07 -0.21 0.00 0.09 0.00 0.00 178.44 178.50 1cw3 h ALA 103 N 1.93 0.41 -0.31 1.53 0.00 -1.16 -0.16 119.26 121.49 1cw3 h ALA 103 Ca -0.00 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.49 1cw3 h ALA 103 Cb 0.13 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1cw3 h ALA 103 CO 0.01 0.35 -0.04 0.00 0.00 0.00 0.00 179.25 179.57 1cw3 h ALA 104 N 0.72 0.43 -0.19 0.00 0.00 -0.91 -2.01 119.26 117.30 1cw3 h ALA 104 Ca 0.05 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 1cw3 h ALA 104 Cb 0.75 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1cw3 h ALA 104 CO 0.06 0.22 -0.17 1.25 0.00 0.00 0.00 179.25 180.60 1cw3 h LEU 105 N 0.36 0.32 -0.38 0.00 5.85 -1.03 -0.07 115.31 120.35 1cw3 h LEU 105 Ca 0.08 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 1cw3 h LEU 105 Cb 0.51 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1cw3 h LEU 105 CO 0.02 0.51 0.01 -0.08 -0.34 0.00 0.00 178.44 178.57 1cw3 h GLU 106 N 0.30 0.66 -0.45 1.25 4.57 -0.82 -2.24 114.58 117.85 1cw3 h GLU 106 Ca 0.06 -0.20 -0.10 0.00 -1.18 0.00 0.00 59.36 57.93 1cw3 h GLU 106 Cb 0.49 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.00 1cw3 h GLU 106 CO 0.03 0.75 -0.10 1.15 -1.18 0.00 0.00 179.01 179.67 1cw3 h THR 107 N 0.49 1.27 -0.29 0.32 2.02 -0.96 0.29 112.91 116.05 1cw3 h THR 107 Ca 0.11 -1.21 0.04 0.00 0.77 0.00 0.00 66.41 66.12 1cw3 h THR 107 Cb 0.45 1.13 -0.04 0.00 -1.74 0.00 0.00 68.15 67.95 1cw3 h THR 107 CO 0.02 0.41 0.06 0.25 0.37 0.00 0.00 175.52 176.63 1cw3 h LEU 108 N 0.69 0.02 0.05 2.58 5.85 -0.88 0.33 115.31 123.96 1cw3 h LEU 108 Ca 0.11 0.04 -0.25 0.00 0.84 0.00 0.00 57.88 58.63 1cw3 h LEU 108 Cb 0.63 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.70 1cw3 h LEU 108 CO 0.04 0.05 -1.25 -0.78 -0.34 0.00 0.00 178.44 176.15 1cw3 h ASP 109 N 0.17 0.17 0.03 1.25 3.58 -1.41 -3.38 116.42 116.83 1cw3 h ASP 109 Ca 0.13 -0.20 -0.38 0.00 0.42 0.00 0.00 57.03 57.00 1cw3 h ASP 109 Cb 0.14 -0.05 -0.06 0.00 1.72 0.00 0.00 39.33 41.08 1cw3 h ASP 109 CO -0.17 1.17 -2.36 -3.20 -2.88 0.00 0.00 179.24 171.79 1cw3 n ASN 110 N -3.37 1.96 0.00 2.28 2.85 0.09 -4.61 115.26 114.46 1cw3 n ASN 110 Ca -0.07 -0.05 0.00 0.00 -0.11 0.00 0.00 54.58 54.34 1cw3 n ASN 110 Cb 0.99 -0.47 0.00 0.00 1.24 0.00 0.00 39.78 41.54 1cw3 n ASN 110 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1cw3 n GLY 111 N 2.18 2.47 3.67 8.20 0.00 0.12 -4.33 105.19 117.50 1cw3 n GLY 111 Ca -0.42 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.23 1cw3 n GLY 111 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1cw3 n LYS 112 N -0.62 0.83 -1.70 1.61 2.85 -1.26 -4.03 118.16 115.84 1cw3 n LYS 112 Ca 0.00 0.34 -0.44 0.00 -1.05 0.00 0.00 58.31 57.16 1cw3 n LYS 112 Cb 0.00 -2.35 -0.03 0.00 -0.65 0.00 0.00 35.03 32.01 1cw3 n LYS 112 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1cw3 n PRO 113 N -1.74 2.36 -0.32 -1.58 -0.02 -1.26 -4.52 135.00 127.92 1cw3 n PRO 113 Ca 0.15 0.84 0.05 0.00 -2.02 0.00 0.00 63.50 62.52 1cw3 n PRO 113 Cb 0.48 -2.58 0.20 0.00 -0.02 0.00 0.00 33.50 31.58 1cw3 n PRO 113 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 1cw3 h TYR 114 N 5.00 0.93 -0.88 6.00 3.20 -1.42 -0.62 116.97 129.19 1cw3 h TYR 114 Ca -0.45 0.03 0.07 0.00 3.14 0.00 0.00 58.73 61.52 1cw3 h TYR 114 Cb 1.25 -0.28 -0.06 0.00 1.54 0.00 0.00 36.73 39.17 1cw3 h TYR 114 CO 0.59 0.35 0.57 0.28 -1.64 0.00 0.00 178.16 178.31 1cw3 h VAL 115 N 0.82 1.05 0.01 1.81 2.07 -1.91 0.97 116.25 121.07 1cw3 h VAL 115 Ca 0.44 -0.33 -0.27 0.00 0.82 0.00 0.00 66.70 67.36 1cw3 h VAL 115 Cb 0.47 -0.01 0.02 0.00 -1.52 0.00 0.00 31.29 30.25 1cw3 h VAL 115 CO -0.28 0.18 -1.05 0.40 0.02 0.00 0.00 177.57 176.84 1cw3 h ILE 116 N 0.97 1.29 -0.74 4.57 1.08 -1.59 -1.13 117.51 121.95 1cw3 h ILE 116 Ca 0.38 -2.26 0.01 0.00 -0.39 0.00 0.00 64.86 62.60 1cw3 h ILE 116 Cb 0.24 2.43 -0.04 0.00 -3.07 0.00 0.00 36.82 36.38 1cw3 h ILE 116 CO -0.14 0.70 0.49 0.28 -0.69 0.00 0.00 178.15 178.78 1cw3 h SER 117 N 0.36 0.85 0.35 1.72 0.02 -0.53 0.16 113.55 116.48 1cw3 h SER 117 Ca -0.14 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.78 1cw3 h SER 117 Cb 1.71 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 64.04 1cw3 h SER 117 CO 0.21 0.62 -0.17 0.22 -1.14 0.00 0.00 176.83 176.56 1cw3 h TYR 118 N 1.00 -0.44 -0.19 3.45 3.20 -0.85 -0.61 116.97 122.53 1cw3 h TYR 118 Ca 0.27 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.08 1cw3 h TYR 118 Cb -0.11 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 1cw3 h TYR 118 CO -0.02 -0.27 -0.08 -0.07 -1.64 0.00 0.00 178.16 176.08 1cw3 h LEU 119 N -0.88 0.39 0.00 2.82 3.38 -1.24 -3.32 115.31 116.46 1cw3 h LEU 119 Ca -0.05 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1cw3 h LEU 119 Cb 0.37 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1cw3 h LEU 119 CO 0.08 0.70 -0.06 0.58 0.09 0.00 0.00 178.44 179.83 1cw3 h VAL 120 N 0.08 0.00 -0.05 1.22 2.07 -0.90 -3.36 116.25 115.31 1cw3 h VAL 120 Ca 0.04 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.44 1cw3 h VAL 120 Cb 0.55 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.26 1cw3 h VAL 120 CO 0.02 0.00 -0.51 0.44 0.02 0.00 0.00 177.57 177.54 1cw3 h ASP 121 N -0.15 -1.59 0.58 0.57 3.32 -1.25 -1.43 116.42 116.47 1cw3 h ASP 121 Ca 0.00 0.19 -0.06 0.00 0.02 0.00 0.00 57.03 57.18 1cw3 h ASP 121 Cb 0.06 0.61 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 1cw3 h ASP 121 CO 0.00 -0.50 -0.27 -0.07 -1.72 0.00 0.00 179.24 176.69 1cw3 h LEU 122 N -0.62 0.00 -0.30 1.55 4.07 -1.22 -1.79 115.31 117.00 1cw3 h LEU 122 Ca 0.03 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.89 1cw3 h LEU 122 Cb 0.70 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.43 1cw3 h LEU 122 CO -0.38 0.27 -0.20 -0.78 -1.08 0.00 0.00 178.44 176.27 1cw3 h ASP 123 N 0.00 0.69 0.39 -0.43 3.58 -1.59 -2.18 116.42 116.88 1cw3 h ASP 123 Ca -0.00 -0.43 -0.10 0.00 0.42 0.00 0.00 57.03 56.92 1cw3 h ASP 123 Cb 0.63 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.48 1cw3 h ASP 123 CO 0.03 0.98 -0.43 0.24 -2.88 0.00 0.00 179.24 177.18 1cw3 h MET 124 N 0.41 0.05 0.21 0.28 2.86 -0.97 -0.78 114.93 117.00 1cw3 h MET 124 Ca 0.06 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 1cw3 h MET 124 Cb 0.74 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.40 1cw3 h MET 124 CO 0.05 0.48 -0.10 0.28 1.06 0.00 0.00 176.91 178.68 1cw3 h VAL 125 N 0.05 0.87 -0.08 -2.22 2.07 -1.18 -0.93 116.25 114.83 1cw3 h VAL 125 Ca 0.00 -0.50 0.03 0.00 0.82 0.00 0.00 66.70 67.05 1cw3 h VAL 125 Cb 0.78 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 1cw3 h VAL 125 CO 0.06 0.11 -0.08 -0.07 0.02 0.00 0.00 177.57 177.61 1cw3 h LEU 126 N -0.54 -0.25 -1.20 2.57 3.38 -1.23 -1.40 115.31 116.65 1cw3 h LEU 126 Ca -0.03 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.01 1cw3 h LEU 126 Cb 0.40 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 1cw3 h LEU 126 CO 0.05 -0.11 0.55 0.11 0.09 0.00 0.00 178.44 179.12 1cw3 h LYS 127 N -0.10 1.05 -0.11 1.13 1.57 -1.14 -0.37 116.57 118.60 1cw3 h LYS 127 Ca 0.06 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1cw3 h LYS 127 Cb 0.19 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 1cw3 h LYS 127 CO -0.14 0.69 0.01 0.00 -0.57 0.00 0.00 179.45 179.44 1cw3 h LEU 129 N -0.06 0.37 -1.30 0.00 3.38 -0.97 -1.96 115.31 114.77 1cw3 h LEU 129 Ca 0.03 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.71 1cw3 h LEU 129 Cb 0.31 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1cw3 h LEU 129 CO 0.00 0.49 -0.35 0.03 0.09 0.00 0.00 178.44 178.71 1cw3 h ARG 130 N 0.23 0.00 -0.09 1.13 3.08 -1.12 0.20 114.38 117.82 1cw3 h ARG 130 Ca 0.08 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 1cw3 h ARG 130 Cb 0.26 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.31 1cw3 h ARG 130 CO -0.00 0.35 -0.06 -0.92 -1.07 0.00 0.00 179.97 178.27 1cw3 h TYR 131 N 0.00 0.22 0.00 3.04 3.20 -0.99 -3.15 116.97 119.29 1cw3 h TYR 131 Ca -0.00 -0.06 -0.04 0.00 3.14 0.00 0.00 58.73 61.77 1cw3 h TYR 131 Cb 0.64 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.86 1cw3 h TYR 131 CO 0.00 0.58 -0.19 1.88 -1.64 0.00 0.00 178.16 178.79 1cw3 h TYR 132 N -0.20 0.00 -0.81 -3.82 -1.99 -1.10 -2.82 116.97 106.22 1cw3 h TYR 132 Ca 0.02 0.00 0.02 0.00 2.00 0.00 0.00 58.73 60.77 1cw3 h TYR 132 Cb 0.53 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 39.22 1cw3 h TYR 132 CO 0.08 0.19 0.54 0.00 -0.00 0.00 0.00 178.16 178.96 1cw3 h ALA 133 N 1.81 1.46 0.00 3.88 0.00 -0.92 -1.78 119.26 123.72 1cw3 h ALA 133 Ca -0.00 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1cw3 h ALA 133 Cb 0.76 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1cw3 h ALA 133 CO 0.02 0.48 -0.31 0.78 0.00 0.00 0.00 179.25 180.22 1cw3 h GLY 134 N 1.06 0.00 2.00 0.00 0.00 -1.51 -2.97 103.07 101.65 1cw3 h GLY 134 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.64 1cw3 h GLY 134 CO -0.08 0.00 0.00 1.49 0.00 0.00 0.00 176.54 177.95 1cw3 h TRP 135 N 0.00 0.00 -0.93 5.60 4.06 -1.38 -3.38 115.95 119.92 1cw3 h TRP 135 Ca -0.00 0.00 0.26 0.00 2.06 0.00 0.00 58.89 61.21 1cw3 h TRP 135 Cb 0.59 0.00 -0.17 0.00 -1.00 0.00 0.00 29.16 28.58 1cw3 h TRP 135 CO 0.00 0.00 0.12 0.00 -3.56 0.00 0.00 178.44 175.00 1cw3 h ALA 136 N 2.27 1.24 -0.20 1.49 0.00 -1.42 -1.85 119.26 120.78 1cw3 h ALA 136 Ca 0.00 0.29 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 1cw3 h ALA 136 Cb 0.78 0.48 -0.06 0.00 0.00 0.00 0.00 17.79 18.99 1cw3 h ALA 136 CO 0.00 -0.56 -0.26 -0.40 0.00 0.00 0.00 179.25 178.03 1cw3 n ASP 137 N -5.38 2.13 0.00 0.00 3.85 -1.26 -4.65 116.55 111.24 1cw3 n ASP 137 Ca 0.23 -3.84 0.00 0.00 -0.71 0.00 0.00 54.79 50.47 1cw3 n ASP 137 Cb 0.75 -0.59 0.00 0.00 -1.35 0.00 0.00 41.12 39.93 1cw3 n ASP 137 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1cw3 n LYS 138 N -1.12 0.10 -2.01 0.11 5.02 -0.70 -4.88 118.16 114.68 1cw3 n LYS 138 Ca 0.27 -0.27 -0.41 0.00 -2.02 0.00 0.00 58.31 55.88 1cw3 n LYS 138 Cb 0.89 -0.74 -0.00 0.00 -0.02 0.00 0.00 35.03 35.15 1cw3 n LYS 138 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1cw3 n TYR 139 N -0.09 2.93 -1.56 2.13 9.36 -1.22 -4.98 117.16 123.72 1cw3 n TYR 139 Ca 0.00 -2.87 -0.37 0.00 3.32 0.00 0.00 57.90 57.98 1cw3 n TYR 139 Cb 0.08 -2.12 0.07 0.00 -0.63 0.00 0.00 39.34 36.74 1cw3 n TYR 139 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 1cw3 n HIS 140 N 3.87 1.27 -1.09 2.98 8.25 -1.26 -4.83 115.22 124.41 1cw3 n HIS 140 Ca 0.52 0.42 0.00 0.00 -0.26 0.00 0.00 57.72 58.39 1cw3 n HIS 140 Cb 0.33 -2.17 0.00 0.00 1.12 0.00 0.00 29.99 29.26 1cw3 n HIS 140 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1cw3 n GLY 141 N 1.04 1.23 3.06 -1.41 0.00 -1.26 -4.93 105.19 102.91 1cw3 n GLY 141 Ca 0.15 -1.85 -0.09 0.00 0.00 0.00 0.00 46.02 44.23 1cw3 n GLY 141 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cw3 s LYS 142 N 2.25 0.52 -0.20 1.61 1.02 -1.24 -4.96 119.74 118.74 1cw3 s LYS 142 Ca 0.00 -0.97 -0.05 0.00 0.02 0.00 0.00 55.97 54.97 1cw3 s LYS 142 Cb 0.00 0.08 -0.02 0.00 -0.52 0.00 0.00 37.83 37.37 1cw3 s LYS 142 CO 0.00 -0.06 -0.01 0.95 -0.92 0.00 0.00 175.35 175.31 1cw3 s THR 143 N -2.77 3.86 -0.15 2.17 -4.23 -1.26 -0.72 115.64 112.54 1cw3 s THR 143 Ca -0.02 -0.34 -0.03 0.00 -1.18 0.00 0.00 61.69 60.12 1cw3 s THR 143 Cb -0.00 -2.74 -0.02 0.00 1.34 0.00 0.00 72.50 71.07 1cw3 s THR 143 CO -0.05 0.43 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.76 1cw3 s ILE 144 N 1.05 3.66 -1.10 2.99 1.01 0.89 -4.96 121.20 124.74 1cw3 s ILE 144 Ca 0.02 -0.44 -0.07 0.00 0.00 0.00 0.00 60.65 60.15 1cw3 s ILE 144 Cb -0.14 -2.59 -0.09 0.00 0.01 0.00 0.00 42.46 39.65 1cw3 s ILE 144 CO 0.01 0.51 2.59 -0.81 0.00 0.00 0.00 174.94 177.24 1cw3 n PRO 145 N 3.48 2.72 -1.99 2.79 -0.04 -1.26 -3.80 135.00 136.90 1cw3 n PRO 145 Ca -0.18 -1.69 -0.35 0.00 -0.04 0.00 0.00 63.50 61.25 1cw3 n PRO 145 Cb 0.53 -2.53 0.03 0.00 -0.04 0.00 0.00 33.50 31.49 1cw3 n PRO 145 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1cw3 s ILE 146 N 2.62 2.93 1.01 0.52 2.07 -1.26 -5.02 121.20 124.07 1cw3 s ILE 146 Ca 0.54 0.53 -0.11 0.00 -1.41 0.00 0.00 60.65 60.20 1cw3 s ILE 146 Cb 0.15 -3.15 0.20 0.00 0.13 0.00 0.00 42.46 39.79 1cw3 s ILE 146 CO -0.04 -0.17 1.09 -1.81 -1.91 0.00 0.00 174.94 172.10 1cw3 s ASP 147 N -1.91 2.28 0.23 4.50 1.01 -1.26 -4.74 116.67 116.76 1cw3 s ASP 147 Ca 0.73 1.78 0.00 0.00 0.71 0.00 0.00 52.55 55.77 1cw3 s ASP 147 Cb -0.26 -2.39 0.00 0.00 1.01 0.00 0.00 42.92 41.28 1cw3 s ASP 147 CO 0.34 -3.44 0.00 0.61 0.21 0.00 0.00 175.17 172.89 1cw3 n GLY 148 N 0.16 -1.71 3.40 0.21 0.00 -1.26 -4.36 105.19 101.63 1cw3 n GLY 148 Ca 0.07 -1.28 -0.43 0.00 0.00 0.00 0.00 46.02 44.38 1cw3 n GLY 148 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cw3 n ASP 149 N -3.20 4.89 -3.95 1.61 8.00 -1.26 -4.76 116.55 117.88 1cw3 n ASP 149 Ca 0.01 -2.94 -0.09 0.00 0.71 0.00 0.00 54.79 52.48 1cw3 n ASP 149 Cb 0.44 -1.68 -0.10 0.00 -0.02 0.00 0.00 41.12 39.77 1cw3 n ASP 149 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1cw3 s PHE 150 N 3.17 0.24 -0.29 1.24 0.40 -1.26 -1.62 117.98 119.86 1cw3 s PHE 150 Ca 0.49 -0.56 -0.03 0.00 -0.60 0.00 0.00 56.93 56.24 1cw3 s PHE 150 Cb 0.04 -0.18 0.04 0.00 0.51 0.00 0.00 43.02 43.43 1cw3 s PHE 150 CO 0.03 -0.33 0.00 0.12 0.70 0.00 0.00 175.22 175.75 1cw3 s PHE 151 N -2.48 3.19 0.02 0.36 5.36 0.14 -4.80 117.98 119.76 1cw3 s PHE 151 Ca -0.06 -1.61 0.06 0.00 -0.96 0.00 0.00 56.93 54.36 1cw3 s PHE 151 Cb -0.02 -2.13 -0.03 0.00 -0.34 0.00 0.00 43.02 40.50 1cw3 s PHE 151 CO -0.04 -0.74 -0.16 0.45 -1.46 0.00 0.00 175.22 173.26 1cw3 s SER 152 N 1.32 3.91 0.26 6.13 0.15 -1.25 -0.51 113.70 123.71 1cw3 s SER 152 Ca -0.02 -0.36 -0.22 0.00 0.70 0.00 0.00 55.95 56.05 1cw3 s SER 152 Cb -0.18 -0.70 0.03 0.00 -1.71 0.00 0.00 66.02 63.46 1cw3 s SER 152 CO -0.01 0.28 0.75 -0.72 1.20 0.00 0.00 173.24 174.74 1cw3 s TYR 153 N -0.89 -0.19 0.08 3.44 -0.85 -0.72 -0.07 117.35 118.14 1cw3 s TYR 153 Ca 0.14 -0.23 0.08 0.00 -0.52 0.00 0.00 57.07 56.53 1cw3 s TYR 153 Cb -0.11 0.69 -0.03 0.00 0.38 0.00 0.00 41.96 42.90 1cw3 s TYR 153 CO 0.05 -1.16 -0.20 0.95 -1.52 0.00 0.00 175.55 173.67 1cw3 s THR 154 N -3.81 1.61 -0.16 -3.49 -4.23 0.10 -0.45 115.64 105.21 1cw3 s THR 154 Ca 0.11 -1.42 -0.03 0.00 -1.18 0.00 0.00 61.69 59.17 1cw3 s THR 154 Cb -0.05 -1.46 -0.02 0.00 1.34 0.00 0.00 72.50 72.31 1cw3 s THR 154 CO 0.06 -0.02 -0.06 -0.13 -0.54 0.00 0.00 174.62 173.93 1cw3 s ARG 155 N -1.70 3.55 -0.88 3.99 0.52 0.78 -3.69 118.95 121.52 1cw3 s ARG 155 Ca 0.05 -0.58 -0.17 0.00 -0.52 0.00 0.00 55.73 54.52 1cw3 s ARG 155 Cb -0.10 -2.86 0.16 0.00 0.52 0.00 0.00 34.95 32.67 1cw3 s ARG 155 CO 0.03 0.16 0.98 -1.01 0.02 0.00 0.00 175.30 175.48 1cw3 s HIS 156 N 0.55 3.37 0.53 -0.53 3.76 -1.26 -1.46 115.29 120.25 1cw3 s HIS 156 Ca -0.04 -1.61 -0.02 0.00 -0.15 0.00 0.00 55.06 53.24 1cw3 s HIS 156 Cb -0.15 -4.10 0.01 0.00 1.11 0.00 0.00 32.58 29.46 1cw3 s HIS 156 CO 0.03 -1.29 0.78 -1.21 -0.85 0.00 0.00 174.74 172.20 1cw3 s GLU 157 N 1.70 2.84 0.46 1.40 2.02 -0.38 -4.90 118.70 121.84 1cw3 s GLU 157 Ca 0.26 -0.41 -0.22 0.00 0.02 0.00 0.00 54.97 54.63 1cw3 s GLU 157 Cb -0.07 -2.44 -0.08 0.00 0.10 0.00 0.00 34.13 31.64 1cw3 s GLU 157 CO -0.09 -0.56 1.07 -2.14 0.02 0.00 0.00 175.26 173.55 1cw3 s PRO 158 N -4.77 3.89 0.44 0.39 0.02 -1.26 -0.88 135.00 132.83 1cw3 s PRO 158 Ca 0.53 1.49 0.24 0.00 0.02 0.00 0.00 61.00 63.28 1cw3 s PRO 158 Cb -0.10 -2.28 0.95 0.00 0.02 0.00 0.00 34.50 33.09 1cw3 s PRO 158 CO 0.40 -0.38 1.84 -0.24 -0.33 0.00 0.00 177.00 178.30 1cw3 h VAL 159 N 1.79 0.57 0.00 3.83 3.04 -1.83 -3.39 116.25 120.27 1cw3 h VAL 159 Ca -0.49 -1.09 0.00 0.00 -1.01 0.00 0.00 66.70 64.11 1cw3 h VAL 159 Cb 1.23 1.74 0.00 0.00 -2.01 0.00 0.00 31.29 32.24 1cw3 h VAL 159 CO 0.60 0.22 0.00 0.61 -1.01 0.00 0.00 177.57 177.99 1cw3 n GLY 160 N 0.08 0.23 3.62 3.17 0.00 -1.26 -4.79 105.19 106.24 1cw3 n GLY 160 Ca -0.00 -1.68 -0.43 0.00 0.00 0.00 0.00 46.02 43.91 1cw3 n GLY 160 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cw3 s VAL 161 N 0.00 4.22 -0.22 1.61 1.01 -1.26 -2.42 120.40 123.33 1cw3 s VAL 161 Ca 0.00 1.35 -0.06 0.00 0.00 0.00 0.00 61.98 63.27 1cw3 s VAL 161 Cb 0.00 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.06 1cw3 s VAL 161 CO 0.00 -0.58 0.03 0.00 0.00 0.00 0.00 175.10 174.54 1cw3 s GLY 163 N 1.21 2.42 -0.22 0.00 0.00 0.46 -1.01 107.32 110.18 1cw3 s GLY 163 Ca 0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 44.72 44.57 1cw3 s GLY 163 CO 0.02 0.70 -0.02 1.20 0.00 0.00 0.00 173.10 175.00 1cw3 s GLN 164 N 0.38 1.21 -0.24 2.90 -0.21 -0.12 -0.73 119.66 122.85 1cw3 s GLN 164 Ca 0.26 -0.74 -0.07 0.00 0.02 0.00 0.00 55.36 54.83 1cw3 s GLN 164 Cb -0.15 -2.38 -0.03 0.00 1.00 0.00 0.00 33.01 31.45 1cw3 s GLN 164 CO 0.11 -0.62 0.05 0.42 -2.12 0.00 0.00 175.29 173.14 1cw3 s ILE 165 N 1.59 4.24 0.21 1.08 1.01 -0.61 -0.42 121.20 128.31 1cw3 s ILE 165 Ca -0.04 -0.20 0.09 0.00 0.00 0.00 0.00 60.65 60.50 1cw3 s ILE 165 Cb -0.18 -2.97 -0.05 0.00 0.01 0.00 0.00 42.46 39.27 1cw3 s ILE 165 CO -0.07 0.36 -0.17 0.27 0.00 0.00 0.00 174.94 175.33 1cw3 s ILE 166 N 1.45 1.96 0.00 2.92 -4.36 -1.04 -1.71 121.20 120.43 1cw3 s ILE 166 Ca 0.05 -2.18 0.00 0.00 -0.26 0.00 0.00 60.65 58.26 1cw3 s ILE 166 Cb -0.15 -2.06 0.00 0.00 1.25 0.00 0.00 42.46 41.50 1cw3 s ILE 166 CO 0.03 -0.46 0.00 -0.81 0.24 0.00 0.00 174.94 173.94 1cw3 n PRO 167 N -0.25 0.23 -0.00 0.37 -0.04 -1.21 -2.94 135.00 131.16 1cw3 n PRO 167 Ca -0.09 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.44 1cw3 n PRO 167 Cb 0.59 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.96 1cw3 n PRO 167 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1cw3 n TRP 168 N -1.71 0.00 -0.26 0.54 4.27 -1.26 -4.34 117.44 114.68 1cw3 n TRP 168 Ca 0.00 0.00 -0.05 0.00 -3.89 0.00 0.00 57.50 53.56 1cw3 n TRP 168 Cb 0.00 -0.13 0.05 0.00 -1.36 0.00 0.00 31.31 29.87 1cw3 n TRP 168 CO 0.00 0.00 0.00 -2.95 -2.29 0.00 0.00 177.69 172.45 1cw3 h ASN 169 N 0.00 0.88 -2.40 -0.67 -1.07 -1.98 -3.33 115.58 107.02 1cw3 h ASN 169 Ca 0.00 -0.08 -0.59 0.00 0.07 0.00 0.00 56.30 55.70 1cw3 h ASN 169 Cb 0.47 -0.22 -0.40 0.00 -2.07 0.00 0.00 38.32 36.09 1cw3 h ASN 169 CO 0.00 0.71 -0.85 0.49 0.07 0.00 0.00 177.43 177.85 1cw3 n PHE 170 N -4.50 1.05 -0.08 4.14 3.01 -1.26 -5.02 117.46 114.80 1cw3 n PHE 170 Ca 0.06 -3.77 -0.08 0.00 1.01 0.00 0.00 57.45 54.68 1cw3 n PHE 170 Cb 0.08 -0.26 -0.06 0.00 -0.01 0.00 0.00 39.48 39.23 1cw3 n PHE 170 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1cw3 h PRO 171 N 4.86 -0.22 -0.26 -1.08 0.11 -1.80 0.95 132.00 134.56 1cw3 h PRO 171 Ca 0.18 0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.28 1cw3 h PRO 171 Cb 0.82 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.97 1cw3 h PRO 171 CO 0.56 -0.15 0.09 -0.07 -0.21 0.00 0.00 178.00 178.23 1cw3 h LEU 172 N -0.23 0.37 -0.30 2.35 3.38 -1.94 -2.71 115.31 116.23 1cw3 h LEU 172 Ca 0.04 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1cw3 h LEU 172 Cb 0.34 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1cw3 h LEU 172 CO -0.34 0.46 0.16 0.25 0.09 0.00 0.00 178.44 179.05 1cw3 h LEU 173 N 0.27 0.39 -1.39 1.67 5.85 -1.82 -0.67 115.31 119.60 1cw3 h LEU 173 Ca 0.09 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1cw3 h LEU 173 Cb 0.21 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 1cw3 h LEU 173 CO -0.00 0.39 0.37 0.24 -0.34 0.00 0.00 178.44 179.09 1cw3 h MET 174 N 0.36 0.78 -0.24 1.25 2.86 -0.84 0.14 114.93 119.25 1cw3 h MET 174 Ca 0.11 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.66 1cw3 h MET 174 Cb 0.09 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 1cw3 h MET 174 CO -0.02 0.53 0.04 0.37 1.06 0.00 0.00 176.91 178.90 1cw3 h GLN 175 N 0.80 0.39 -0.30 1.72 4.15 -1.12 -2.95 115.11 117.80 1cw3 h GLN 175 Ca 0.21 -0.10 0.02 0.00 0.77 0.00 0.00 58.65 59.55 1cw3 h GLN 175 Cb -0.06 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.56 1cw3 h GLN 175 CO -0.04 0.51 0.15 0.00 -1.93 0.00 0.00 178.83 177.52 1cw3 h ALA 176 N 0.86 0.36 -0.05 3.38 0.00 0.06 -0.30 119.26 123.57 1cw3 h ALA 176 Ca 0.07 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1cw3 h ALA 176 Cb 0.31 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1cw3 h ALA 176 CO 0.00 -0.23 0.07 -1.49 0.00 0.00 0.00 179.25 177.61 1cw3 h TRP 177 N 0.32 0.00 0.05 0.00 4.06 -0.74 -0.51 115.95 119.13 1cw3 h TRP 177 Ca 0.12 0.00 -0.30 0.00 2.06 0.00 0.00 58.89 60.77 1cw3 h TRP 177 Cb 0.03 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.16 1cw3 h TRP 177 CO -0.09 0.00 -1.66 1.63 -3.56 0.00 0.00 178.44 174.76 1cw3 n LYS 178 N -3.64 0.64 -0.08 0.49 4.76 -0.81 -4.46 118.16 115.06 1cw3 n LYS 178 Ca -0.02 0.43 -0.14 0.00 -2.87 0.00 0.00 58.31 55.71 1cw3 n LYS 178 Cb 0.16 -1.71 -0.04 0.00 -1.84 0.00 0.00 35.03 31.59 1cw3 n LYS 178 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1cw3 h LEU 179 N -0.58 0.88 -0.21 -0.35 3.38 -0.82 -3.11 115.31 114.50 1cw3 h LEU 179 Ca -0.41 -0.52 0.03 0.00 0.09 0.00 0.00 57.88 57.07 1cw3 h LEU 179 Cb 1.61 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 42.06 1cw3 h LEU 179 CO -0.11 1.22 -0.36 1.23 0.09 0.00 0.00 178.44 180.51 1cw3 h GLY 180 N 0.56 -1.31 1.20 0.83 0.00 -1.33 -0.60 103.07 102.42 1cw3 h GLY 180 Ca 0.02 0.73 -0.12 0.00 0.00 0.00 0.00 47.33 47.97 1cw3 h GLY 180 CO 0.10 -0.34 -0.21 -0.56 0.00 0.00 0.00 176.54 175.54 1cw3 h PRO 181 N -0.30 0.92 0.24 4.80 0.13 -1.78 -2.32 132.00 133.69 1cw3 h PRO 181 Ca 0.04 -0.38 -0.01 0.00 -0.87 0.00 0.00 66.00 64.78 1cw3 h PRO 181 Cb 0.41 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.50 1cw3 h PRO 181 CO -0.35 1.03 -0.12 0.00 -0.23 0.00 0.00 178.00 178.34 1cw3 h ALA 182 N 0.96 -0.32 -0.36 -0.56 0.00 -1.45 -2.53 119.26 114.99 1cw3 h ALA 182 Ca 0.11 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 1cw3 h ALA 182 Cb 0.76 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1cw3 h ALA 182 CO 0.06 -0.64 -0.29 -0.07 0.00 0.00 0.00 179.25 178.32 1cw3 h LEU 183 N -0.41 0.80 -2.23 0.00 3.38 -1.20 -0.83 115.31 114.82 1cw3 h LEU 183 Ca -0.03 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 1cw3 h LEU 183 Cb 0.31 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 1cw3 h LEU 183 CO 0.05 1.03 -0.05 0.00 0.09 0.00 0.00 178.44 179.56 1cw3 h ALA 184 N 1.02 1.44 -0.41 1.53 0.00 -1.35 -1.04 119.26 120.45 1cw3 h ALA 184 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1cw3 h ALA 184 Cb 0.81 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1cw3 h ALA 184 CO 0.07 0.06 0.00 0.25 0.00 0.00 0.00 179.25 179.63 1cw3 n THR 185 N -3.79 0.53 -2.19 0.00 -2.24 -0.96 -4.14 114.28 101.48 1cw3 n THR 185 Ca -0.03 -0.76 -0.01 0.00 -2.27 0.00 0.00 64.05 60.98 1cw3 n THR 185 Cb 0.15 0.96 0.00 0.00 -2.10 0.00 0.00 70.33 69.34 1cw3 n THR 185 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cw3 n GLY 186 N 1.53 0.51 4.00 3.38 0.00 -0.39 -4.19 105.19 110.02 1cw3 n GLY 186 Ca 0.20 -0.78 -0.18 0.00 0.00 0.00 0.00 46.02 45.26 1cw3 n GLY 186 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1cw3 s ASN 187 N -2.97 5.55 0.03 1.61 0.01 -0.33 -4.73 114.94 114.10 1cw3 s ASN 187 Ca 0.01 -0.35 0.06 0.00 -0.71 0.00 0.00 52.86 51.87 1cw3 s ASN 187 Cb -0.00 -0.67 -0.03 0.00 0.41 0.00 0.00 41.25 40.95 1cw3 s ASN 187 CO 0.01 -0.87 -0.15 0.68 -1.51 0.00 0.00 177.10 175.26 1cw3 s VAL 188 N -2.46 3.05 0.10 1.60 -7.23 -1.02 -4.54 120.40 109.91 1cw3 s VAL 188 Ca 0.56 -1.05 0.10 0.00 -1.81 0.00 0.00 61.98 59.78 1cw3 s VAL 188 Cb -0.10 -2.30 -0.04 0.00 0.56 0.00 0.00 36.38 34.51 1cw3 s VAL 188 CO 0.34 0.36 -0.26 -0.69 -0.31 0.00 0.00 175.10 174.55 1cw3 s VAL 189 N -0.94 2.28 -0.31 1.32 1.01 0.98 -0.68 120.40 124.06 1cw3 s VAL 189 Ca 0.15 -1.60 -0.00 0.00 0.00 0.00 0.00 61.98 60.53 1cw3 s VAL 189 Cb -0.11 -1.97 0.10 0.00 0.00 0.00 0.00 36.38 34.40 1cw3 s VAL 189 CO 0.06 0.19 0.09 -0.69 0.00 0.00 0.00 175.10 174.75 1cw3 s VAL 190 N -0.98 0.98 -0.19 2.92 1.01 -0.18 -0.92 120.40 123.05 1cw3 s VAL 190 Ca 0.14 -1.47 -0.10 0.00 0.00 0.00 0.00 61.98 60.55 1cw3 s VAL 190 Cb -0.10 -1.74 -0.05 0.00 0.00 0.00 0.00 36.38 34.49 1cw3 s VAL 190 CO 0.05 -0.67 0.13 -0.32 0.00 0.00 0.00 175.10 174.29 1cw3 s MET 191 N 1.56 4.12 -0.44 2.72 1.75 0.15 -0.95 119.30 128.23 1cw3 s MET 191 Ca 0.10 -0.21 -0.05 0.00 -1.25 0.00 0.00 55.69 54.28 1cw3 s MET 191 Cb -0.17 -3.40 0.12 0.00 2.84 0.00 0.00 34.83 34.21 1cw3 s MET 191 CO -0.24 0.35 0.26 0.21 -0.65 0.00 0.00 175.02 174.94 1cw3 s LYS 192 N 0.23 2.18 0.58 4.11 2.36 0.45 0.04 119.74 129.67 1cw3 s LYS 192 Ca 0.09 -1.83 -0.15 0.00 -2.55 0.00 0.00 55.97 51.53 1cw3 s LYS 192 Cb -0.11 -3.70 -0.05 0.00 -1.05 0.00 0.00 37.83 32.91 1cw3 s LYS 192 CO -0.01 -1.12 1.02 0.14 1.55 0.00 0.00 175.35 176.93 1cw3 s VAL 193 N 1.18 4.31 0.27 4.02 -7.23 -1.25 -2.50 120.40 119.19 1cw3 s VAL 193 Ca 0.08 1.00 -0.30 0.00 -1.81 0.00 0.00 61.98 60.95 1cw3 s VAL 193 Cb -0.24 -3.62 -0.10 0.00 0.56 0.00 0.00 36.38 32.98 1cw3 s VAL 193 CO -0.03 -0.74 1.39 0.00 -0.31 0.00 0.00 175.10 175.41 1cw3 s ALA 194 N -2.72 3.58 0.54 1.32 0.00 -1.15 -4.25 121.76 119.07 1cw3 s ALA 194 Ca 0.59 1.30 0.32 0.00 0.00 0.00 0.00 51.96 54.17 1cw3 s ALA 194 Cb -0.12 -3.53 1.81 0.00 0.00 0.00 0.00 23.12 21.28 1cw3 s ALA 194 CO 0.39 -0.71 2.22 1.05 0.00 0.00 0.00 175.76 178.71 1cw3 h GLU 195 N 4.50 0.00 0.00 0.00 9.09 -1.92 -2.17 114.58 124.08 1cw3 h GLU 195 Ca -0.47 0.00 -0.10 0.00 0.05 0.00 0.00 59.36 58.84 1cw3 h GLU 195 Cb 1.22 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.31 1cw3 h GLU 195 CO 0.74 0.03 -0.49 1.96 0.05 0.00 0.00 179.01 181.29 1cw3 h GLN 196 N 0.00 0.00 -1.60 1.06 7.50 -1.91 -3.39 115.11 116.76 1cw3 h GLN 196 Ca -0.00 0.00 -0.47 0.00 0.50 0.00 0.00 58.65 58.68 1cw3 h GLN 196 Cb 0.10 0.00 -0.34 0.00 0.05 0.00 0.00 27.48 27.29 1cw3 h GLN 196 CO 0.00 0.49 -1.01 0.25 -1.50 0.00 0.00 178.83 177.07 1cw3 n THR 197 N -3.52 -0.40 0.05 -0.54 -2.24 -0.83 -4.71 114.28 102.09 1cw3 n THR 197 Ca -0.00 -3.69 -0.02 0.00 -2.27 0.00 0.00 64.05 58.07 1cw3 n THR 197 Cb 0.60 -0.74 -0.07 0.00 -2.10 0.00 0.00 70.33 68.01 1cw3 n THR 197 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1cw3 h PRO 198 N 3.61 0.00 -0.05 -0.78 0.13 -1.71 -3.42 132.00 129.77 1cw3 h PRO 198 Ca 0.04 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.20 1cw3 h PRO 198 Cb 0.94 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.01 1cw3 h PRO 198 CO 0.43 0.44 -0.51 -0.07 -0.23 0.00 0.00 178.00 178.07 1cw3 h LEU 199 N 0.00 -1.57 -0.78 1.56 3.38 -1.91 -2.88 115.31 113.11 1cw3 h LEU 199 Ca -0.13 0.18 0.05 0.00 0.09 0.00 0.00 57.88 58.07 1cw3 h LEU 199 Cb 1.63 0.61 -0.05 0.00 0.09 0.00 0.00 40.66 42.94 1cw3 h LEU 199 CO 0.06 -0.49 0.48 0.71 0.09 0.00 0.00 178.44 179.29 1cw3 h THR 200 N -0.61 1.07 0.00 0.22 1.35 -1.88 -2.02 112.91 111.03 1cw3 h THR 200 Ca 0.03 -0.31 -0.05 0.00 -0.55 0.00 0.00 66.41 65.53 1cw3 h THR 200 Cb 0.69 0.07 -0.01 0.00 -1.73 0.00 0.00 68.15 67.18 1cw3 h THR 200 CO -0.38 0.17 -0.22 0.00 -0.25 0.00 0.00 175.52 174.84 1cw3 h ALA 201 N 1.35 1.23 0.04 6.62 0.00 -1.84 -1.96 119.26 124.70 1cw3 h ALA 201 Ca 0.33 -0.20 -0.23 0.00 0.00 0.00 0.00 54.91 54.81 1cw3 h ALA 201 Cb 0.10 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1cw3 h ALA 201 CO -0.14 0.27 -1.02 -0.07 0.00 0.00 0.00 179.25 178.29 1cw3 h LEU 202 N 0.00 0.43 -0.67 0.00 3.38 -1.16 -2.89 115.31 114.41 1cw3 h LEU 202 Ca -0.00 -0.38 -0.10 0.00 0.09 0.00 0.00 57.88 57.49 1cw3 h LEU 202 Cb 0.54 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1cw3 h LEU 202 CO 0.03 1.21 -0.03 0.22 0.09 0.00 0.00 178.44 179.96 1cw3 h TYR 203 N 0.15 1.10 -0.26 1.13 3.20 -0.84 -2.54 116.97 118.91 1cw3 h TYR 203 Ca -0.09 -0.19 -0.03 0.00 3.14 0.00 0.00 58.73 61.56 1cw3 h TYR 203 Cb 1.68 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 39.65 1cw3 h TYR 203 CO 0.05 0.99 0.02 0.28 -1.64 0.00 0.00 178.16 177.86 1cw3 h VAL 204 N 0.91 1.15 -0.23 1.81 2.07 -1.38 -0.54 116.25 120.05 1cw3 h VAL 204 Ca 0.16 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 1cw3 h VAL 204 Cb 0.57 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1cw3 h VAL 204 CO 0.03 0.19 0.01 0.00 0.02 0.00 0.00 177.57 177.83 1cw3 h ALA 205 N 1.66 1.61 -0.52 1.67 0.00 -1.23 0.21 119.26 122.66 1cw3 h ALA 205 Ca 0.09 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1cw3 h ALA 205 Cb 0.22 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1cw3 h ALA 205 CO 0.00 0.30 -0.10 -0.97 0.00 0.00 0.00 179.25 178.48 1cw3 h ASN 206 N 0.33 0.97 0.92 0.00 -1.24 -0.98 -2.11 115.58 113.47 1cw3 h ASN 206 Ca 0.08 -0.31 -0.10 0.00 0.71 0.00 0.00 56.30 56.68 1cw3 h ASN 206 Cb 0.20 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 38.97 1cw3 h ASN 206 CO 0.00 1.08 -0.48 -0.07 -1.29 0.00 0.00 177.43 176.68 1cw3 h LEU 207 N 0.87 0.00 -0.62 0.34 3.38 -0.91 -2.27 115.31 116.10 1cw3 h LEU 207 Ca 0.14 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 1cw3 h LEU 207 Cb 0.65 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 1cw3 h LEU 207 CO 0.04 0.48 0.17 0.40 0.09 0.00 0.00 178.44 179.62 1cw3 h ILE 208 N 0.00 1.25 0.04 1.22 2.04 -0.05 0.23 117.51 122.24 1cw3 h ILE 208 Ca -0.00 -0.89 -0.00 0.00 1.00 0.00 0.00 64.86 64.96 1cw3 h ILE 208 Cb 1.07 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 1cw3 h ILE 208 CO 0.06 0.34 -0.02 0.50 0.00 0.00 0.00 178.15 179.03 1cw3 h LYS 209 N 0.91 -0.06 -0.66 2.37 3.64 -1.20 -2.93 116.57 118.64 1cw3 h LYS 209 Ca 0.20 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.66 1cw3 h LYS 209 Cb 0.33 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.12 1cw3 h LYS 209 CO -0.00 0.26 0.44 1.49 -2.27 0.00 0.00 179.45 179.37 1cw3 h GLU 210 N -0.38 0.57 0.00 1.90 4.81 -1.22 -0.28 114.58 119.97 1cw3 h GLU 210 Ca -0.01 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1cw3 h GLU 210 Cb 0.35 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.60 1cw3 h GLU 210 CO 0.01 0.37 -0.05 0.00 -0.73 0.00 0.00 179.01 178.61 1cw3 h ALA 211 N 1.65 1.13 0.00 2.92 0.00 -0.37 -3.46 119.26 121.14 1cw3 h ALA 211 Ca 0.30 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1cw3 h ALA 211 Cb 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1cw3 h ALA 211 CO -0.09 0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.63 1cw3 n GLY 212 N -0.61 1.08 3.73 0.00 0.00 -0.12 -4.88 105.19 104.39 1cw3 n GLY 212 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1cw3 n GLY 212 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1cw3 s PHE 213 N -2.00 3.05 0.43 1.61 0.40 -1.13 -4.94 117.98 115.40 1cw3 s PHE 213 Ca 0.00 0.89 -0.25 0.00 -0.60 0.00 0.00 56.93 56.96 1cw3 s PHE 213 Cb 0.00 -3.85 -0.09 0.00 0.51 0.00 0.00 43.02 39.59 1cw3 s PHE 213 CO 0.00 -2.90 1.33 -2.30 0.70 0.00 0.00 175.22 172.04 1cw3 n PRO 214 N 2.99 2.04 -1.68 0.24 -0.02 -1.26 -4.80 135.00 132.51 1cw3 n PRO 214 Ca 0.09 0.73 -0.44 0.00 -2.02 0.00 0.00 63.50 61.86 1cw3 n PRO 214 Cb 0.40 -2.47 -0.02 0.00 -0.02 0.00 0.00 33.50 31.39 1cw3 n PRO 214 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1cw3 n PRO 215 N -0.04 2.12 0.00 0.52 -0.04 -1.26 -2.03 135.00 134.26 1cw3 n PRO 215 Ca 0.06 0.75 0.00 0.00 -0.04 0.00 0.00 63.50 64.27 1cw3 n PRO 215 Cb 0.40 -2.40 0.00 0.00 -0.04 0.00 0.00 33.50 31.46 1cw3 n PRO 215 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1cw3 n GLY 216 N 1.84 1.68 0.28 0.55 0.00 -1.26 -4.74 105.19 103.55 1cw3 n GLY 216 Ca 0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 1cw3 n GLY 216 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1cw3 h VAL 217 N 0.00 1.27 -3.21 1.61 2.07 -1.71 -3.32 116.25 112.96 1cw3 h VAL 217 Ca 0.00 -1.37 -0.51 0.00 0.82 0.00 0.00 66.70 65.64 1cw3 h VAL 217 Cb 0.00 1.14 -0.37 0.00 -1.52 0.00 0.00 31.29 30.54 1cw3 h VAL 217 CO 0.00 0.47 -0.80 -0.69 0.02 0.00 0.00 177.57 176.57 1cw3 s VAL 218 N -4.66 0.95 -0.13 2.57 1.01 -1.26 -0.01 120.40 118.87 1cw3 s VAL 218 Ca -0.11 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 61.63 1cw3 s VAL 218 Cb 0.12 -0.98 0.02 0.00 0.00 0.00 0.00 36.38 35.54 1cw3 s VAL 218 CO 0.86 0.35 -0.16 0.20 0.00 0.00 0.00 175.10 176.36 1cw3 s ASN 219 N 1.65 2.60 -0.24 3.32 0.01 -0.09 -4.71 114.94 117.47 1cw3 s ASN 219 Ca 0.03 -0.47 -0.04 0.00 -0.71 0.00 0.00 52.86 51.68 1cw3 s ASN 219 Cb -0.13 -1.16 0.00 0.00 0.41 0.00 0.00 41.25 40.37 1cw3 s ASN 219 CO -0.07 -0.00 -0.03 -0.63 -1.51 0.00 0.00 177.10 174.86 1cw3 s ILE 220 N 1.15 3.31 -0.52 0.60 1.01 -0.15 0.34 121.20 126.94 1cw3 s ILE 220 Ca -0.02 -0.69 -0.06 0.00 0.00 0.00 0.00 60.65 59.88 1cw3 s ILE 220 Cb -0.14 -2.59 0.13 0.00 0.01 0.00 0.00 42.46 39.87 1cw3 s ILE 220 CO -0.05 0.30 0.36 -0.69 0.00 0.00 0.00 174.94 174.86 1cw3 s VAL 221 N 1.44 3.92 0.31 2.92 1.01 0.11 -1.32 120.40 128.77 1cw3 s VAL 221 Ca 0.04 -2.21 -0.28 0.00 0.00 0.00 0.00 61.98 59.53 1cw3 s VAL 221 Cb -0.15 -3.59 -0.09 0.00 0.00 0.00 0.00 36.38 32.55 1cw3 s VAL 221 CO -0.03 -0.80 1.01 -2.16 0.00 0.00 0.00 175.10 173.13 1cw3 s PRO 222 N 0.85 4.57 0.00 2.72 0.04 -1.26 -3.96 135.00 137.97 1cw3 s PRO 222 Ca 0.10 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.69 1cw3 s PRO 222 Cb -0.23 -2.97 0.00 0.00 0.04 0.00 0.00 34.50 31.34 1cw3 s PRO 222 CO -0.03 0.23 0.00 0.41 0.04 0.00 0.00 177.00 177.64 1cw3 n GLY 223 N 0.92 -0.57 3.98 0.56 0.00 -1.26 -0.48 105.19 108.35 1cw3 n GLY 223 Ca 0.01 -0.94 -0.20 0.00 0.00 0.00 0.00 46.02 44.89 1cw3 n GLY 223 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1cw3 s PHE 224 N -3.00 2.89 -0.01 1.61 0.40 -1.26 -3.70 117.98 114.91 1cw3 s PHE 224 Ca 0.00 -0.08 -0.08 0.00 -0.60 0.00 0.00 56.93 56.18 1cw3 s PHE 224 Cb 0.00 -2.61 -0.04 0.00 0.51 0.00 0.00 43.02 40.88 1cw3 s PHE 224 CO 0.00 -0.71 0.65 0.78 0.70 0.00 0.00 175.22 176.65 1cw3 h GLY 225 N 0.24 -0.29 1.04 4.36 0.00 -1.96 -2.13 103.07 104.34 1cw3 h GLY 225 Ca -0.42 0.11 0.05 0.00 0.00 0.00 0.00 47.33 47.06 1cw3 h GLY 225 CO 0.51 -0.10 0.44 -2.55 0.00 0.00 0.00 176.54 174.83 1cw3 h PRO 226 N -0.45 0.00 0.00 4.80 0.11 -1.97 -0.69 132.00 133.80 1cw3 h PRO 226 Ca -0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1cw3 h PRO 226 Cb 0.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.32 1cw3 h PRO 226 CO 0.05 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.09 1cw3 n THR 227 N -3.13 0.00 0.14 -1.15 -2.24 -1.25 -4.29 114.28 102.37 1cw3 n THR 227 Ca 0.02 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.66 1cw3 n THR 227 Cb 0.53 -0.58 -0.06 0.00 -2.10 0.00 0.00 70.33 68.11 1cw3 n THR 227 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cw3 h ALA 228 N -2.00 -0.47 -0.12 6.98 0.00 -1.48 -1.51 119.26 120.66 1cw3 h ALA 228 Ca 0.00 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.88 1cw3 h ALA 228 Cb 0.00 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1cw3 h ALA 228 CO 0.00 -0.80 -0.04 0.78 0.00 0.00 0.00 179.25 179.19 1cw3 h GLY 229 N -0.49 0.08 2.00 0.00 0.00 -0.90 -2.05 103.07 101.71 1cw3 h GLY 229 Ca 0.01 0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.36 1cw3 h GLY 229 CO -0.10 -0.05 -0.13 0.00 0.00 0.00 0.00 176.54 176.26 1cw3 h ALA 230 N 1.11 1.67 -0.26 3.60 0.00 -1.16 -0.57 119.26 123.66 1cw3 h ALA 230 Ca 0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1cw3 h ALA 230 Cb 0.10 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1cw3 h ALA 230 CO -0.13 0.16 0.10 0.00 0.00 0.00 0.00 179.25 179.39 1cw3 h ALA 231 N 1.87 0.33 0.18 0.00 0.00 -0.60 -0.87 119.26 120.17 1cw3 h ALA 231 Ca -0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1cw3 h ALA 231 Cb 0.25 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1cw3 h ALA 231 CO 0.02 -0.08 -0.09 0.82 0.00 0.00 0.00 179.25 179.92 1cw3 h ILE 232 N 0.26 0.91 -0.48 0.00 2.04 -0.73 -1.39 117.51 118.12 1cw3 h ILE 232 Ca 0.09 -0.46 0.08 0.00 1.00 0.00 0.00 64.86 65.56 1cw3 h ILE 232 Cb 0.17 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 1cw3 h ILE 232 CO -0.01 0.11 0.32 0.00 0.00 0.00 0.00 178.15 178.57 1cw3 h ALA 233 N 0.30 2.03 -0.03 1.87 0.00 -1.06 -2.46 119.26 119.91 1cw3 h ALA 233 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1cw3 h ALA 233 Cb 0.36 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1cw3 h ALA 233 CO 0.04 -0.13 -0.02 0.43 0.00 0.00 0.00 179.25 179.57 1cw3 n SER 234 N -4.47 2.91 -4.72 0.00 7.64 -0.34 -3.80 113.62 110.84 1cw3 n SER 234 Ca 0.07 -1.96 -0.42 0.00 1.01 0.00 0.00 58.87 57.57 1cw3 n SER 234 Cb 0.32 0.02 -0.03 0.00 -1.01 0.00 0.00 64.21 63.51 1cw3 n SER 234 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1cw3 s HIS 235 N -1.99 3.09 -1.89 1.43 5.04 -0.53 -4.77 115.29 115.68 1cw3 s HIS 235 Ca 0.27 0.78 0.24 0.00 -1.54 0.00 0.00 55.06 54.81 1cw3 s HIS 235 Cb 0.20 -3.85 1.38 0.00 0.04 0.00 0.00 32.58 30.34 1cw3 s HIS 235 CO 0.31 -3.04 1.79 0.39 -2.34 0.00 0.00 174.74 171.85 1cw3 n GLU 236 N 3.60 0.67 -0.00 2.88 -0.58 -1.26 -2.96 120.64 122.99 1cw3 n GLU 236 Ca 0.12 0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.87 1cw3 n GLU 236 Cb 0.40 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.77 1cw3 n GLU 236 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1cw3 n ASP 237 N -1.06 1.23 -4.62 1.62 2.03 -1.26 -4.85 116.55 109.64 1cw3 n ASP 237 Ca 0.17 -1.21 -0.42 0.00 0.52 0.00 0.00 54.79 53.85 1cw3 n ASP 237 Cb 0.10 -0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.45 1cw3 n ASP 237 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1cw3 s VAL 238 N -0.23 4.84 0.16 5.18 1.01 -1.15 -4.73 120.40 125.48 1cw3 s VAL 238 Ca 0.01 1.24 0.04 0.00 0.00 0.00 0.00 61.98 63.26 1cw3 s VAL 238 Cb 0.00 -4.10 -0.16 0.00 0.00 0.00 0.00 36.38 32.12 1cw3 s VAL 238 CO 0.01 -0.16 1.36 0.44 0.00 0.00 0.00 175.10 176.74 1cw3 h ASP 239 N 7.99 0.18 -4.43 3.32 3.32 -1.47 -3.42 116.42 121.91 1cw3 h ASP 239 Ca -0.25 -0.16 -0.12 0.00 0.02 0.00 0.00 57.03 56.53 1cw3 h ASP 239 Cb 1.10 -0.06 -0.22 0.00 0.22 0.00 0.00 39.33 40.38 1cw3 h ASP 239 CO 0.86 1.00 -0.22 -0.75 -1.72 0.00 0.00 179.24 178.41 1cw3 s LYS 240 N -3.07 0.60 -0.03 3.56 2.36 -1.04 -1.49 119.74 120.63 1cw3 s LYS 240 Ca -0.02 0.23 0.04 0.00 -2.55 0.00 0.00 55.97 53.67 1cw3 s LYS 240 Cb 0.10 0.28 -0.01 0.00 -1.05 0.00 0.00 37.83 37.16 1cw3 s LYS 240 CO 0.82 -0.13 -0.17 0.54 1.55 0.00 0.00 175.35 177.97 1cw3 s VAL 241 N -0.54 1.35 -0.21 4.02 0.11 0.47 -0.41 120.40 125.20 1cw3 s VAL 241 Ca -0.07 -0.69 0.01 0.00 -2.93 0.00 0.00 61.98 58.31 1cw3 s VAL 241 Cb -0.04 -1.15 0.04 0.00 -1.53 0.00 0.00 36.38 33.70 1cw3 s VAL 241 CO 0.03 0.39 -0.12 0.00 -3.33 0.00 0.00 175.10 172.07 1cw3 s ALA 242 N -0.10 2.23 -0.04 1.54 0.00 0.09 -2.50 121.76 122.98 1cw3 s ALA 242 Ca -0.00 -1.37 0.06 0.00 0.00 0.00 0.00 51.96 50.64 1cw3 s ALA 242 Cb -0.10 -1.35 -0.02 0.00 0.00 0.00 0.00 23.12 21.65 1cw3 s ALA 242 CO 0.01 -0.85 -0.20 0.12 0.00 0.00 0.00 175.76 174.85 1cw3 s PHE 243 N 1.29 2.54 -0.10 0.00 5.36 -0.90 -1.58 117.98 124.58 1cw3 s PHE 243 Ca -0.02 -0.30 -0.00 0.00 -0.96 0.00 0.00 56.93 55.64 1cw3 s PHE 243 Cb -0.17 -1.58 0.02 0.00 -0.34 0.00 0.00 43.02 40.96 1cw3 s PHE 243 CO -0.08 0.08 -0.07 0.99 -1.46 0.00 0.00 175.22 174.67 1cw3 s THR 244 N -0.65 0.95 -2.27 0.12 2.01 -0.69 -0.59 115.64 114.51 1cw3 s THR 244 Ca 0.10 -0.25 0.00 0.00 0.31 0.00 0.00 61.69 61.85 1cw3 s THR 244 Cb -0.10 -0.98 0.00 0.00 0.01 0.00 0.00 72.50 71.43 1cw3 s THR 244 CO -0.00 0.35 0.00 0.61 -0.69 0.00 0.00 174.62 174.89 1cw3 n GLY 245 N 4.89 -0.67 3.77 4.40 0.00 -0.42 -3.31 105.19 113.86 1cw3 n GLY 245 Ca -0.13 -0.50 -0.37 0.00 0.00 0.00 0.00 46.02 45.02 1cw3 n GLY 245 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cw3 s SER 246 N -4.00 6.30 0.35 1.61 1.04 -1.26 -3.25 113.70 114.48 1cw3 s SER 246 Ca 0.00 2.25 0.05 0.00 0.48 0.00 0.00 55.95 58.72 1cw3 s SER 246 Cb 0.00 -2.60 0.69 0.00 0.10 0.00 0.00 66.02 64.21 1cw3 s SER 246 CO 0.00 -0.82 1.94 0.74 0.98 0.00 0.00 173.24 176.08 1cw3 h THR 247 N 1.94 1.03 -0.03 2.02 2.02 -1.92 -1.33 112.91 116.64 1cw3 h THR 247 Ca -0.49 -0.28 0.03 0.00 0.77 0.00 0.00 66.41 66.44 1cw3 h THR 247 Cb 1.24 0.13 -0.04 0.00 -1.74 0.00 0.00 68.15 67.74 1cw3 h THR 247 CO 0.61 0.15 -0.18 -0.08 0.37 0.00 0.00 175.52 176.38 1cw3 h GLU 248 N 0.82 -0.27 0.00 6.66 4.81 -1.95 -1.64 114.58 123.01 1cw3 h GLU 248 Ca 0.34 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.58 1cw3 h GLU 248 Cb 0.26 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.70 1cw3 h GLU 248 CO -0.12 -0.18 -0.03 0.82 -0.73 0.00 0.00 179.01 178.77 1cw3 h ILE 249 N -0.28 0.06 -0.53 2.32 1.08 -1.81 -2.89 117.51 115.46 1cw3 h ILE 249 Ca 0.07 -0.74 -0.06 0.00 -0.39 0.00 0.00 64.86 63.73 1cw3 h ILE 249 Cb 0.37 1.70 -0.02 0.00 -3.07 0.00 0.00 36.82 35.80 1cw3 h ILE 249 CO -0.19 0.03 0.07 1.23 -0.69 0.00 0.00 178.15 178.60 1cw3 h GLY 250 N 2.69 0.91 1.67 5.37 0.00 -0.32 -0.85 103.07 112.54 1cw3 h GLY 250 Ca -0.00 -0.56 -0.12 0.00 0.00 0.00 0.00 47.33 46.65 1cw3 h GLY 250 CO 0.00 0.52 -0.41 3.21 0.00 0.00 0.00 176.54 179.87 1cw3 h ARG 251 N 0.80 0.36 -0.46 4.80 3.08 -1.22 -1.96 114.38 119.78 1cw3 h ARG 251 Ca 0.17 -0.18 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 1cw3 h ARG 251 Cb 0.37 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 1cw3 h ARG 251 CO 0.01 0.72 0.06 0.28 -1.07 0.00 0.00 179.97 179.97 1cw3 h VAL 252 N 0.30 1.25 -0.25 2.04 2.07 -1.34 -2.29 116.25 118.04 1cw3 h VAL 252 Ca 0.03 -0.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 1cw3 h VAL 252 Cb 0.86 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 1cw3 h VAL 252 CO 0.07 0.33 0.10 0.40 0.02 0.00 0.00 177.57 178.49 1cw3 h ILE 253 N 0.63 1.16 -0.53 4.57 1.08 -0.93 -0.65 117.51 122.84 1cw3 h ILE 253 Ca 0.14 -0.49 -0.07 0.00 -0.39 0.00 0.00 64.86 64.05 1cw3 h ILE 253 Cb 0.40 1.04 -0.02 0.00 -3.07 0.00 0.00 36.82 35.17 1cw3 h ILE 253 CO 0.01 0.17 0.06 -0.61 -0.69 0.00 0.00 178.15 177.09 1cw3 h GLN 254 N 0.25 0.85 -0.52 2.37 4.15 -1.33 -1.01 115.11 119.88 1cw3 h GLN 254 Ca 0.08 -0.21 -0.11 0.00 0.77 0.00 0.00 58.65 59.18 1cw3 h GLN 254 Cb 0.17 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.73 1cw3 h GLN 254 CO -0.01 0.81 -0.11 0.28 -1.93 0.00 0.00 178.83 177.87 1cw3 h VAL 255 N 0.80 1.27 -0.59 2.39 2.07 -1.25 -1.93 116.25 119.01 1cw3 h VAL 255 Ca 0.16 -1.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.42 1cw3 h VAL 255 Cb 0.39 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 1cw3 h VAL 255 CO 0.01 0.44 0.34 0.00 0.02 0.00 0.00 177.57 178.38 1cw3 h ALA 256 N 1.00 0.75 -0.76 1.67 0.00 -0.61 -0.83 119.26 120.48 1cw3 h ALA 256 Ca 0.14 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1cw3 h ALA 256 Cb 0.66 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1cw3 h ALA 256 CO 0.05 0.25 0.27 0.00 0.00 0.00 0.00 179.25 179.82 1cw3 h ALA 257 N 1.17 0.98 0.00 0.00 0.00 -0.98 -0.53 119.26 119.90 1cw3 h ALA 257 Ca 0.21 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1cw3 h ALA 257 Cb 0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1cw3 h ALA 257 CO -0.04 0.64 -0.36 0.78 0.00 0.00 0.00 179.25 180.27 1cw3 h GLY 258 N 1.10 0.00 1.56 0.00 0.00 -1.08 -0.48 103.07 104.17 1cw3 h GLY 258 Ca 0.25 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.41 1cw3 h GLY 258 CO -0.02 0.00 -1.05 1.76 0.00 0.00 0.00 176.54 177.24 1cw3 h SER 259 N 0.00 0.00 0.00 0.19 0.02 -0.82 -3.43 113.55 109.51 1cw3 h SER 259 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1cw3 h SER 259 Cb 0.99 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.53 1cw3 h SER 259 CO 0.05 0.70 0.00 -1.54 -1.14 0.00 0.00 176.83 174.89 1cw3 n SER 260 N -3.13 0.00 -1.52 3.07 3.41 -0.24 -4.93 113.62 110.29 1cw3 n SER 260 Ca -0.04 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.64 1cw3 n SER 260 Cb 0.85 0.00 0.35 0.00 -0.26 0.00 0.00 64.21 65.15 1cw3 n SER 260 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1cw3 n ASN 261 N 0.00 4.96 -1.80 4.04 6.94 -1.25 -4.94 115.26 123.22 1cw3 n ASN 261 Ca 0.00 -2.84 -0.17 0.00 -0.02 0.00 0.00 54.58 51.55 1cw3 n ASN 261 Cb 0.00 -0.61 -0.02 0.00 -2.36 0.00 0.00 39.78 36.79 1cw3 n ASN 261 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1cw3 n LEU 262 N 0.39 -1.66 -4.63 -4.53 4.77 -0.19 -4.95 117.00 106.20 1cw3 n LEU 262 Ca 0.25 0.08 -0.41 0.00 -0.03 0.00 0.00 56.01 55.90 1cw3 n LEU 262 Cb 1.03 -2.47 0.01 0.00 -2.33 0.00 0.00 43.42 39.66 1cw3 n LEU 262 CO 0.25 -0.33 0.66 2.29 -1.33 0.00 0.00 177.39 178.94 1cw3 n LYS 263 N -2.60 1.47 -1.97 3.23 2.85 -1.24 -4.92 118.16 114.98 1cw3 n LYS 263 Ca -0.19 0.53 -0.40 0.00 -1.05 0.00 0.00 58.31 57.20 1cw3 n LYS 263 Cb 0.63 -2.14 0.00 0.00 -0.65 0.00 0.00 35.03 32.88 1cw3 n LYS 263 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1cw3 s ARG 264 N -2.10 3.88 -0.01 -1.58 3.00 -0.55 -4.79 118.95 116.80 1cw3 s ARG 264 Ca 0.63 2.24 0.03 0.00 0.00 0.00 0.00 55.73 58.64 1cw3 s ARG 264 Cb -0.54 -2.72 -0.01 0.00 0.00 0.00 0.00 34.95 31.68 1cw3 s ARG 264 CO 0.57 -0.60 -0.10 0.08 0.00 0.00 0.00 175.30 175.25 1cw3 s VAL 265 N -1.24 0.76 0.00 3.52 1.01 -1.26 -0.39 120.40 122.80 1cw3 s VAL 265 Ca 0.58 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 62.14 1cw3 s VAL 265 Cb -0.40 -0.64 -0.01 0.00 0.00 0.00 0.00 36.38 35.33 1cw3 s VAL 265 CO 0.51 0.20 -0.05 0.42 0.00 0.00 0.00 175.10 176.18 1cw3 s THR 266 N -0.26 0.39 -0.03 3.92 -4.23 -1.04 -4.93 115.64 109.47 1cw3 s THR 266 Ca 0.03 -0.31 0.03 0.00 -1.18 0.00 0.00 61.69 60.26 1cw3 s THR 266 Cb -0.04 -0.35 0.00 0.00 1.34 0.00 0.00 72.50 73.45 1cw3 s THR 266 CO -0.00 0.04 -0.10 -0.76 -0.54 0.00 0.00 174.62 173.26 1cw3 s LEU 267 N -0.30 1.82 -0.55 4.79 1.43 -0.76 -2.13 118.68 122.98 1cw3 s LEU 267 Ca 0.00 -0.20 0.02 0.00 -1.03 0.00 0.00 54.13 52.92 1cw3 s LEU 267 Cb -0.03 -0.59 0.14 0.00 0.03 0.00 0.00 46.19 45.74 1cw3 s LEU 267 CO -0.00 0.08 0.31 -1.61 0.23 0.00 0.00 176.35 175.36 1cw3 s GLU 268 N 0.15 2.13 0.00 1.70 0.41 0.24 -1.55 118.70 121.78 1cw3 s GLU 268 Ca -0.03 -2.63 0.00 0.00 -0.41 0.00 0.00 54.97 51.90 1cw3 s GLU 268 Cb -0.08 -3.42 0.00 0.00 -1.78 0.00 0.00 34.13 28.85 1cw3 s GLU 268 CO 0.01 -1.13 0.00 1.28 -0.49 0.00 0.00 175.26 174.93 1cw3 n LEU 269 N 3.15 0.00 0.00 1.80 4.77 -0.32 -1.31 117.00 125.09 1cw3 n LEU 269 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1cw3 n LEU 269 Cb 0.33 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1cw3 n LEU 269 CO 0.34 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 1cw3 n GLY 270 N 5.00 1.22 2.85 -0.72 0.00 -1.20 -4.80 105.19 107.54 1cw3 n GLY 270 Ca 0.00 -2.02 -0.06 0.00 0.00 0.00 0.00 46.02 43.94 1cw3 n GLY 270 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cw3 n GLY 271 N 5.00 1.16 2.35 -0.02 0.00 -1.17 -4.37 105.19 108.15 1cw3 n GLY 271 Ca 0.00 -1.18 -0.15 0.00 0.00 0.00 0.00 46.02 44.68 1cw3 n GLY 271 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1cw3 n LYS 272 N -0.42 0.98 -1.75 1.61 3.00 -1.26 -4.48 118.16 115.83 1cw3 n LYS 272 Ca -0.06 -2.94 -0.42 0.00 -0.00 0.00 0.00 58.31 54.89 1cw3 n LYS 272 Cb 0.45 -1.50 -0.03 0.00 0.00 0.00 0.00 35.03 33.95 1cw3 n LYS 272 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1cw3 s SER 273 N -2.06 6.38 -0.09 3.14 0.01 -1.22 -4.70 113.70 115.16 1cw3 s SER 273 Ca 0.35 2.89 -0.20 0.00 1.31 0.00 0.00 55.95 60.29 1cw3 s SER 273 Cb 0.33 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.91 1cw3 s SER 273 CO -0.07 -0.95 0.56 -2.16 0.41 0.00 0.00 173.24 171.03 1cw3 s PRO 274 N 0.65 4.37 -0.42 12.44 0.04 -1.26 -1.64 135.00 149.17 1cw3 s PRO 274 Ca 0.71 0.61 -0.05 0.00 0.04 0.00 0.00 61.00 62.31 1cw3 s PRO 274 Cb -0.49 -3.43 0.10 0.00 0.04 0.00 0.00 34.50 30.73 1cw3 s PRO 274 CO 0.37 0.15 0.24 1.21 0.04 0.00 0.00 177.00 179.01 1cw3 s ASN 275 N 0.60 5.41 -0.32 6.66 3.04 0.01 -1.11 114.94 129.23 1cw3 s ASN 275 Ca 0.30 -1.88 -0.22 0.00 0.04 0.00 0.00 52.86 51.10 1cw3 s ASN 275 Cb -0.16 -1.89 -0.00 0.00 -1.54 0.00 0.00 41.25 37.65 1cw3 s ASN 275 CO 0.13 -0.57 0.70 -0.63 -3.04 0.00 0.00 177.10 173.70 1cw3 s ILE 276 N 1.25 4.86 -0.36 -5.21 1.01 0.06 -1.05 121.20 121.76 1cw3 s ILE 276 Ca 0.06 0.94 -0.08 0.00 0.00 0.00 0.00 60.65 61.58 1cw3 s ILE 276 Cb -0.24 -4.08 0.05 0.00 0.01 0.00 0.00 42.46 38.20 1cw3 s ILE 276 CO -0.02 -0.23 0.15 -0.63 0.00 0.00 0.00 174.94 174.22 1cw3 s ILE 277 N 2.79 3.97 0.57 2.92 -1.09 0.44 -0.37 121.20 130.42 1cw3 s ILE 277 Ca 0.28 -1.18 -0.12 0.00 -2.23 0.00 0.00 60.65 57.40 1cw3 s ILE 277 Cb -0.14 -3.30 -0.05 0.00 -1.58 0.00 0.00 42.46 37.38 1cw3 s ILE 277 CO 0.13 -0.27 0.98 -0.04 -1.23 0.00 0.00 174.94 174.51 1cw3 s MET 278 N 1.42 3.71 0.41 2.79 -1.94 -0.29 -2.05 119.30 123.34 1cw3 s MET 278 Ca 0.00 0.76 0.11 0.00 -1.71 0.00 0.00 55.69 54.85 1cw3 s MET 278 Cb -0.20 -2.14 0.92 0.00 2.01 0.00 0.00 34.83 35.43 1cw3 s MET 278 CO 0.03 -0.42 1.96 0.66 -0.01 0.00 0.00 175.02 177.24 1cw3 h SER 279 N 0.19 0.48 -0.10 3.03 4.64 -1.89 -2.23 113.55 117.67 1cw3 h SER 279 Ca -0.45 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1cw3 h SER 279 Cb 1.19 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1cw3 h SER 279 CO 0.62 0.29 0.00 -0.90 -0.87 0.00 0.00 176.83 175.97 1cw3 n ASP 280 N -4.48 0.85 -4.83 4.97 5.68 -1.26 -4.89 116.55 112.59 1cw3 n ASP 280 Ca 0.11 -2.03 -0.31 0.00 -0.50 0.00 0.00 54.79 52.05 1cw3 n ASP 280 Cb 0.33 -0.19 0.03 0.00 -1.14 0.00 0.00 41.12 40.16 1cw3 n ASP 280 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1cw3 s ALA 281 N -1.70 2.81 -0.64 2.12 0.00 -0.84 -3.68 121.76 119.83 1cw3 s ALA 281 Ca 0.07 0.07 -0.28 0.00 0.00 0.00 0.00 51.96 51.82 1cw3 s ALA 281 Cb 0.04 -3.15 0.03 0.00 0.00 0.00 0.00 23.12 20.04 1cw3 s ALA 281 CO 0.04 -1.02 1.27 0.34 0.00 0.00 0.00 175.76 176.40 1cw3 s ASP 282 N -3.79 6.26 0.17 0.00 2.15 -1.26 -4.92 116.67 115.28 1cw3 s ASP 282 Ca 0.58 -0.09 -0.27 0.00 0.43 0.00 0.00 52.55 53.19 1cw3 s ASP 282 Cb -0.13 -2.55 0.02 0.00 -0.30 0.00 0.00 42.92 39.95 1cw3 s ASP 282 CO 0.52 -1.68 1.55 -0.03 -0.17 0.00 0.00 175.17 175.36 1cw3 h MET 283 N 10.08 -0.10 -0.30 4.34 1.85 -1.93 0.74 114.93 129.60 1cw3 h MET 283 Ca -0.26 0.01 0.07 0.00 -0.61 0.00 0.00 59.70 58.90 1cw3 h MET 283 Cb 1.06 0.02 -0.07 0.00 0.43 0.00 0.00 31.60 33.05 1cw3 h MET 283 CO 1.23 -0.07 -0.13 -0.44 -0.40 0.00 0.00 176.91 177.10 1cw3 h ASP 284 N -0.11 -0.44 -0.21 1.39 3.32 -2.00 -0.56 116.42 117.81 1cw3 h ASP 284 Ca 0.19 0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.35 1cw3 h ASP 284 Cb 0.51 0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.30 1cw3 h ASP 284 CO -0.84 -0.16 0.09 -0.25 -1.72 0.00 0.00 179.24 176.36 1cw3 h TRP 285 N -0.08 0.31 -0.93 4.55 2.91 -1.82 -2.06 115.95 118.83 1cw3 h TRP 285 Ca 0.15 -0.02 0.01 0.00 1.13 0.00 0.00 58.89 60.16 1cw3 h TRP 285 Cb 0.31 -0.10 -0.05 0.00 -0.51 0.00 0.00 29.16 28.82 1cw3 h TRP 285 CO -0.33 0.34 0.62 0.00 -1.03 0.00 0.00 178.44 178.03 1cw3 h ALA 286 N 0.95 1.34 -0.04 2.65 0.00 -0.51 -0.26 119.26 123.38 1cw3 h ALA 286 Ca 0.07 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1cw3 h ALA 286 Cb 0.15 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1cw3 h ALA 286 CO -0.01 0.62 -0.01 0.28 0.00 0.00 0.00 179.25 180.13 1cw3 h VAL 287 N 1.26 1.30 -0.58 0.00 2.07 -0.97 -0.46 116.25 118.87 1cw3 h VAL 287 Ca 0.34 -0.92 -0.08 0.00 0.82 0.00 0.00 66.70 66.87 1cw3 h VAL 287 Cb -0.14 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 1cw3 h VAL 287 CO -0.08 0.25 0.06 -0.08 0.02 0.00 0.00 177.57 177.74 1cw3 h GLU 288 N -0.29 0.96 -0.07 1.57 4.57 -1.20 -1.94 114.58 118.19 1cw3 h GLU 288 Ca 0.01 -0.26 -0.18 0.00 -1.18 0.00 0.00 59.36 57.75 1cw3 h GLU 288 Cb 0.40 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 1cw3 h GLU 288 CO 0.00 0.91 -0.74 1.96 -1.18 0.00 0.00 179.01 179.97 1cw3 h GLN 289 N 0.90 0.36 -0.51 1.92 1.08 -1.07 -2.37 115.11 115.42 1cw3 h GLN 289 Ca 0.18 -0.30 -0.10 0.00 -1.45 0.00 0.00 58.65 56.97 1cw3 h GLN 289 Cb 0.44 0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.92 1cw3 h GLN 289 CO 0.02 0.95 -0.07 0.00 -0.95 0.00 0.00 178.83 178.77 1cw3 h ALA 290 N 0.96 0.91 0.05 3.87 0.00 -0.86 0.30 119.26 124.49 1cw3 h ALA 290 Ca -0.03 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 1cw3 h ALA 290 Cb 1.31 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1cw3 h ALA 290 CO 0.12 0.63 -0.02 1.25 0.00 0.00 0.00 179.25 181.23 1cw3 h HIS 291 N 0.82 -0.06 -0.74 0.00 -0.00 -1.32 -2.83 115.15 111.02 1cw3 h HIS 291 Ca 0.14 -0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.49 1cw3 h HIS 291 Cb 0.59 0.02 -0.03 0.00 -0.00 0.00 0.00 27.41 27.99 1cw3 h HIS 291 CO 0.04 0.10 0.38 0.35 -0.00 0.00 0.00 177.93 178.79 1cw3 h PHE 292 N -0.21 1.04 -0.62 5.26 3.04 -1.26 0.64 116.94 124.82 1cw3 h PHE 292 Ca -0.01 -0.04 0.17 0.00 3.98 0.00 0.00 57.97 62.08 1cw3 h PHE 292 Cb 0.19 -0.33 -0.03 0.00 2.56 0.00 0.00 35.95 38.34 1cw3 h PHE 292 CO -0.03 0.75 0.44 0.00 -2.02 0.00 0.00 178.31 177.45 1cw3 h ALA 293 N 1.19 2.51 0.00 2.41 0.00 -0.24 -2.10 119.26 123.04 1cw3 h ALA 293 Ca 0.26 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.87 1cw3 h ALA 293 Cb 0.08 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1cw3 h ALA 293 CO -0.04 -0.69 -1.96 -0.11 0.00 0.00 0.00 179.25 176.45 1cw3 n LEU 294 N -4.37 1.85 0.00 0.00 0.00 -1.05 -0.61 117.00 112.82 1cw3 n LEU 294 Ca 0.12 0.11 0.13 0.00 0.00 0.00 0.00 56.01 56.36 1cw3 n LEU 294 Cb 0.66 -0.54 0.67 0.00 0.00 0.00 0.00 43.42 44.22 1cw3 n LEU 294 CO 0.37 0.51 0.94 0.49 0.00 0.00 0.00 177.39 179.70 1cw3 n PHE 295 N -3.50 0.00 -1.81 1.96 3.01 0.19 -3.74 117.46 113.57 1cw3 n PHE 295 Ca -0.33 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 57.72 1cw3 n PHE 295 Cb 0.77 -0.25 -0.02 0.00 -0.01 0.00 0.00 39.48 39.97 1cw3 n PHE 295 CO 0.00 0.00 0.00 0.12 1.01 0.00 0.00 176.76 177.89 1cw3 s PHE 296 N -2.50 2.81 -1.29 1.38 5.99 -0.79 -2.76 117.98 120.82 1cw3 s PHE 296 Ca 0.26 0.75 -0.01 0.00 0.00 0.00 0.00 56.93 57.94 1cw3 s PHE 296 Cb 0.18 -4.04 0.00 0.00 0.00 0.00 0.00 43.02 39.16 1cw3 s PHE 296 CO 0.39 -3.56 0.78 -1.71 -0.00 0.00 0.00 175.22 171.12 1cw3 n ASN 297 N 2.47 -1.57 -2.61 6.13 5.15 -1.26 -1.45 115.26 122.11 1cw3 n ASN 297 Ca 0.09 -0.77 -0.17 0.00 -0.60 0.00 0.00 54.58 53.13 1cw3 n ASN 297 Cb 0.37 -4.30 -0.00 0.00 -0.53 0.00 0.00 39.78 35.32 1cw3 n ASN 297 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1cw3 n GLN 298 N -4.27 -2.55 -0.87 1.20 3.00 -1.11 -0.10 117.38 112.68 1cw3 n GLN 298 Ca -0.28 0.74 0.00 0.00 -0.01 0.00 0.00 57.00 57.45 1cw3 n GLN 298 Cb 0.67 -5.40 0.00 0.00 0.00 0.00 0.00 30.24 25.51 1cw3 n GLN 298 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1cw3 n GLY 299 N -1.00 0.57 2.65 1.08 0.00 -0.53 -3.38 105.19 104.58 1cw3 n GLY 299 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 1cw3 n GLY 299 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1cw3 n GLN 300 N -1.90 4.12 -3.82 1.61 6.02 0.85 -3.53 117.38 120.74 1cw3 n GLN 300 Ca 0.00 -3.45 -0.15 0.00 -0.01 0.00 0.00 57.00 53.39 1cw3 n GLN 300 Cb 0.04 -2.77 -0.16 0.00 1.02 0.00 0.00 30.24 28.37 1cw3 n GLN 300 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1cw3 n ALA 304 N 0.55 1.17 -2.19 0.00 0.00 -0.78 -4.78 120.51 114.49 1cw3 n ALA 304 Ca 0.24 0.45 -0.35 0.00 0.00 0.00 0.00 53.44 53.77 1cw3 n ALA 304 Cb 1.05 -2.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.14 1cw3 n ALA 304 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cw3 n GLY 305 N 3.26 1.87 0.08 0.00 0.00 0.22 -3.44 105.19 107.18 1cw3 n GLY 305 Ca 0.17 -1.06 0.16 0.00 0.00 0.00 0.00 46.02 45.28 1cw3 n GLY 305 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1cw3 n SER 306 N 11.28 0.25 -3.52 1.61 3.41 -0.65 -4.38 113.62 121.62 1cw3 n SER 306 Ca 0.47 -1.05 -0.29 0.00 -0.26 0.00 0.00 58.87 57.75 1cw3 n SER 306 Cb 0.46 -0.01 -0.12 0.00 -0.26 0.00 0.00 64.21 64.28 1cw3 n SER 306 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1cw3 s ARG 307 N -2.03 0.81 -0.72 4.33 0.52 -1.01 -3.98 118.95 116.88 1cw3 s ARG 307 Ca 0.45 -1.63 -0.24 0.00 -0.52 0.00 0.00 55.73 53.79 1cw3 s ARG 307 Cb 0.22 -1.61 0.06 0.00 0.52 0.00 0.00 34.95 34.14 1cw3 s ARG 307 CO 0.37 -1.22 1.10 0.99 0.02 0.00 0.00 175.30 176.55 1cw3 s THR 308 N 0.72 4.14 -0.04 0.02 2.01 -0.18 -0.81 115.64 121.50 1cw3 s THR 308 Ca 0.20 -0.22 -0.26 0.00 0.31 0.00 0.00 61.69 61.72 1cw3 s THR 308 Cb -0.19 -4.78 -0.03 0.00 0.01 0.00 0.00 72.50 67.50 1cw3 s THR 308 CO -0.02 -1.61 0.80 -0.36 -0.69 0.00 0.00 174.62 172.74 1cw3 s PHE 309 N 4.55 3.61 -0.02 4.92 0.40 -0.21 -0.54 117.98 130.69 1cw3 s PHE 309 Ca 0.28 1.41 0.04 0.00 -0.60 0.00 0.00 56.93 58.07 1cw3 s PHE 309 Cb -0.12 -2.92 -0.01 0.00 0.51 0.00 0.00 43.02 40.48 1cw3 s PHE 309 CO 0.09 0.06 -0.15 0.08 0.70 0.00 0.00 175.22 176.00 1cw3 s VAL 310 N 0.86 1.22 0.22 -0.44 1.01 0.25 -0.42 120.40 123.10 1cw3 s VAL 310 Ca 0.43 -0.64 -0.30 0.00 0.00 0.00 0.00 61.98 61.46 1cw3 s VAL 310 Cb -0.19 -1.03 -0.09 0.00 0.00 0.00 0.00 36.38 35.07 1cw3 s VAL 310 CO 0.22 0.35 1.33 -1.58 0.00 0.00 0.00 175.10 175.42 1cw3 s GLN 311 N -0.23 4.37 0.45 2.72 -0.44 -0.87 -1.42 119.66 124.24 1cw3 s GLN 311 Ca 0.03 2.11 0.27 0.00 -2.50 0.00 0.00 55.36 55.28 1cw3 s GLN 311 Cb -0.07 -3.17 1.32 0.00 -1.64 0.00 0.00 33.01 29.45 1cw3 s GLN 311 CO 0.00 -0.27 1.73 1.05 0.50 0.00 0.00 175.29 178.30 1cw3 h GLU 312 N 5.11 0.20 0.00 1.67 4.11 -1.01 -1.47 114.58 123.19 1cw3 h GLU 312 Ca -0.45 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 58.94 1cw3 h GLU 312 Cb 1.22 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 1cw3 h GLU 312 CO 0.76 0.13 -0.12 -0.44 0.07 0.00 0.00 179.01 179.42 1cw3 h ASP 313 N 0.20 0.00 -0.01 3.06 3.32 -1.91 -2.98 116.42 118.10 1cw3 h ASP 313 Ca 0.66 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.71 1cw3 h ASP 313 Cb 2.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.61 1cw3 h ASP 313 CO -0.25 0.12 0.00 2.30 -1.72 0.00 0.00 179.24 179.69 1cw3 n ILE 314 N -3.50 0.64 0.07 0.35 -5.35 -0.62 -4.87 119.36 106.07 1cw3 n ILE 314 Ca -0.01 -0.82 -0.11 0.00 -0.27 0.00 0.00 62.75 61.53 1cw3 n ILE 314 Cb 0.26 0.68 -0.07 0.00 -1.74 0.00 0.00 39.64 38.78 1cw3 n ILE 314 CO 0.00 0.00 0.00 0.22 -1.76 0.00 0.00 176.55 175.01 1cw3 h TYR 315 N 0.13 -1.06 -0.87 4.28 5.03 -1.23 -1.23 116.97 122.03 1cw3 h TYR 315 Ca 0.00 0.03 0.13 0.00 2.58 0.00 0.00 58.73 61.47 1cw3 h TYR 315 Cb 0.34 0.45 -0.09 0.00 1.55 0.00 0.00 36.73 38.99 1cw3 h TYR 315 CO 0.01 -0.41 0.49 -0.44 -1.32 0.00 0.00 178.16 176.49 1cw3 h ASP 316 N -0.50 0.65 -0.25 -2.11 3.32 -1.90 0.45 116.42 116.09 1cw3 h ASP 316 Ca -0.00 0.07 -0.07 0.00 0.02 0.00 0.00 57.03 57.05 1cw3 h ASP 316 Cb 0.51 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 1cw3 h ASP 316 CO -0.21 0.32 -0.10 -0.08 -1.72 0.00 0.00 179.24 177.45 1cw3 h GLU 317 N 0.74 0.50 -0.28 3.56 4.81 -1.91 -1.20 114.58 120.80 1cw3 h GLU 317 Ca 0.45 -0.21 -0.00 0.00 -0.13 0.00 0.00 59.36 59.46 1cw3 h GLU 317 Cb 0.54 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 1cw3 h GLU 317 CO -0.31 0.76 0.16 0.35 -0.73 0.00 0.00 179.01 179.24 1cw3 h PHE 318 N 0.23 0.39 -0.31 0.92 3.57 -0.56 -1.56 116.94 119.62 1cw3 h PHE 318 Ca 0.06 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 1cw3 h PHE 318 Cb 0.59 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 1cw3 h PHE 318 CO 0.06 0.31 0.19 0.28 -2.23 0.00 0.00 178.31 176.93 1cw3 h VAL 319 N 0.35 1.10 -0.11 1.41 2.07 -0.91 0.56 116.25 120.72 1cw3 h VAL 319 Ca 0.10 -0.22 0.02 0.00 0.82 0.00 0.00 66.70 67.43 1cw3 h VAL 319 Cb 0.05 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 1cw3 h VAL 319 CO -0.02 0.10 -0.03 -0.08 0.02 0.00 0.00 177.57 177.56 1cw3 h GLU 320 N 0.41 -0.01 -0.75 1.57 4.81 -1.06 0.15 114.58 119.70 1cw3 h GLU 320 Ca 0.11 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.28 1cw3 h GLU 320 Cb -0.01 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 1cw3 h GLU 320 CO -0.02 -0.01 0.24 0.00 -0.73 0.00 0.00 179.01 178.49 1cw3 h ARG 321 N -0.01 1.16 -0.49 1.92 3.08 -1.13 -2.15 114.38 116.76 1cw3 h ARG 321 Ca 0.06 -0.25 -0.04 0.00 0.07 0.00 0.00 59.98 59.82 1cw3 h ARG 321 Cb 0.10 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 1cw3 h ARG 321 CO -0.12 0.98 0.15 0.77 -1.07 0.00 0.00 179.97 180.68 1cw3 h SER 322 N 1.12 0.71 -0.70 7.04 0.02 -0.51 -1.28 113.55 119.95 1cw3 h SER 322 Ca 0.24 -0.21 -0.05 0.00 -0.84 0.00 0.00 61.79 60.94 1cw3 h SER 322 Cb 0.31 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.63 1cw3 h SER 322 CO -0.01 0.73 0.26 0.58 -1.14 0.00 0.00 176.83 177.25 1cw3 h VAL 323 N 0.66 1.25 -0.51 2.27 2.07 -0.82 -0.44 116.25 120.73 1cw3 h VAL 323 Ca 0.16 -0.81 -0.10 0.00 0.82 0.00 0.00 66.70 66.76 1cw3 h VAL 323 Cb 0.27 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 1cw3 h VAL 323 CO -0.00 0.32 -0.09 0.00 0.02 0.00 0.00 177.57 177.82 1cw3 h ALA 324 N 1.24 0.88 -0.39 1.67 0.00 -1.07 -1.43 119.26 120.16 1cw3 h ALA 324 Ca 0.24 -0.33 -0.14 0.00 0.00 0.00 0.00 54.91 54.67 1cw3 h ALA 324 Cb 0.24 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1cw3 h ALA 324 CO -0.02 0.64 -0.32 -0.09 0.00 0.00 0.00 179.25 179.46 1cw3 h ARG 325 N 0.83 0.87 -0.37 0.00 9.65 -0.86 -2.45 114.38 122.06 1cw3 h ARG 325 Ca 0.14 -0.42 -0.04 0.00 -1.10 0.00 0.00 59.98 58.56 1cw3 h ARG 325 Cb 0.62 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.18 1cw3 h ARG 325 CO 0.04 1.06 0.07 0.00 2.80 0.00 0.00 179.97 183.94 1cw3 h ALA 326 N 0.90 0.48 -0.16 2.80 0.00 -0.90 -2.75 119.26 119.63 1cw3 h ALA 326 Ca 0.07 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1cw3 h ALA 326 Cb 0.89 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1cw3 h ALA 326 CO 0.08 0.18 -0.10 0.87 0.00 0.00 0.00 179.25 180.28 1cw3 h LYS 327 N 0.44 0.24 -0.00 0.00 1.57 -1.20 -2.50 116.57 115.13 1cw3 h LYS 327 Ca 0.11 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1cw3 h LYS 327 Cb 0.34 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1cw3 h LYS 327 CO 0.01 0.36 -0.14 -1.13 -0.57 0.00 0.00 179.45 177.97 1cw3 n SER 328 N -4.30 0.27 -4.63 0.86 3.41 -0.93 -4.83 113.62 103.47 1cw3 n SER 328 Ca -0.01 -0.12 -0.43 0.00 -0.26 0.00 0.00 58.87 58.06 1cw3 n SER 328 Cb 0.25 -0.17 -0.03 0.00 -0.26 0.00 0.00 64.21 64.00 1cw3 n SER 328 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1cw3 s ARG 329 N -2.76 3.72 -0.22 4.33 3.52 -0.94 -4.94 118.95 121.67 1cw3 s ARG 329 Ca 0.21 1.94 -0.29 0.00 -0.13 0.00 0.00 55.73 57.45 1cw3 s ARG 329 Cb 0.19 -4.13 -0.01 0.00 -1.56 0.00 0.00 34.95 29.44 1cw3 s ARG 329 CO 0.54 -1.40 1.33 0.08 -0.81 0.00 0.00 175.30 175.04 1cw3 s VAL 330 N 5.72 4.13 -0.07 7.11 1.01 -1.26 -4.93 120.40 132.10 1cw3 s VAL 330 Ca 0.81 1.32 -0.02 0.00 0.00 0.00 0.00 61.98 64.09 1cw3 s VAL 330 Cb -0.30 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.03 1cw3 s VAL 330 CO 0.33 -0.29 0.03 -0.69 0.00 0.00 0.00 175.10 174.47 1cw3 s VAL 331 N 4.08 4.48 -3.33 2.92 1.01 -1.26 -1.09 120.40 127.20 1cw3 s VAL 331 Ca 0.58 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.31 1cw3 s VAL 331 Cb -0.20 -2.92 0.00 0.00 0.00 0.00 0.00 36.38 33.25 1cw3 s VAL 331 CO 0.20 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.47 1cw3 n GLY 332 N 1.94 -0.70 3.62 4.51 0.00 -0.81 -4.97 105.19 108.78 1cw3 n GLY 332 Ca -0.18 -0.98 -0.46 0.00 0.00 0.00 0.00 46.02 44.40 1cw3 n GLY 332 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1cw3 n ASN 333 N 0.44 3.32 0.33 1.61 5.15 -1.26 -4.39 115.26 120.46 1cw3 n ASN 333 Ca 0.00 0.66 0.18 0.00 -0.60 0.00 0.00 54.58 54.82 1cw3 n ASN 333 Cb 0.00 -1.43 0.96 0.00 -0.53 0.00 0.00 39.78 38.78 1cw3 n ASN 333 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1cw3 h PRO 334 N 11.56 0.00 -0.00 1.20 0.13 -1.89 -0.40 132.00 142.61 1cw3 h PRO 334 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1cw3 h PRO 334 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1cw3 h PRO 334 CO 0.96 0.00 -0.20 1.19 -0.23 0.00 0.00 178.00 179.73 1cw3 n PHE 335 N -2.93 0.00 -3.04 1.56 3.01 -1.26 -1.02 117.46 113.78 1cw3 n PHE 335 Ca -0.02 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.03 1cw3 n PHE 335 Cb 0.25 -0.35 -0.06 0.00 -0.01 0.00 0.00 39.48 39.32 1cw3 n PHE 335 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1cw3 s ASP 336 N -2.90 6.66 0.54 4.37 -1.08 -0.16 -4.94 116.67 119.16 1cw3 s ASP 336 Ca 0.16 0.81 0.36 0.00 -0.52 0.00 0.00 52.55 53.36 1cw3 s ASP 336 Cb 0.19 -2.37 1.55 0.00 -1.46 0.00 0.00 42.92 40.82 1cw3 s ASP 336 CO 0.58 -0.42 1.81 0.77 0.52 0.00 0.00 175.17 178.43 1cw3 h SER 337 N 7.84 0.00 0.58 -0.34 4.64 -1.86 -0.73 113.55 123.68 1cw3 h SER 337 Ca -0.25 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.98 1cw3 h SER 337 Cb 1.11 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.19 1cw3 h SER 337 CO 0.81 0.00 -0.39 0.11 -0.87 0.00 0.00 176.83 176.49 1cw3 h LYS 338 N 0.00 0.00 -6.46 4.77 1.79 -1.92 -3.45 116.57 111.30 1cw3 h LYS 338 Ca 0.55 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 58.49 1cw3 h LYS 338 Cb 2.21 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 32.89 1cw3 h LYS 338 CO -0.01 0.39 1.02 0.99 -1.08 0.00 0.00 179.45 180.77 1cw3 s THR 339 N -3.88 2.93 -0.16 -0.16 2.01 -0.28 -4.78 115.64 111.32 1cw3 s THR 339 Ca -0.02 0.39 0.18 0.00 0.31 0.00 0.00 61.69 62.56 1cw3 s THR 339 Cb 0.13 -3.25 -0.26 0.00 0.01 0.00 0.00 72.50 69.12 1cw3 s THR 339 CO 0.70 -0.00 0.18 -0.62 -0.69 0.00 0.00 174.62 174.19 1cw3 n GLU 340 N 5.63 0.68 -3.92 4.92 1.02 -0.25 -4.89 120.64 123.82 1cw3 n GLU 340 Ca 0.16 -0.03 -0.20 0.00 -0.02 0.00 0.00 57.16 57.07 1cw3 n GLU 340 Cb 0.40 -1.54 -0.17 0.00 -0.02 0.00 0.00 31.44 30.12 1cw3 n GLU 340 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 1cw3 s GLN 341 N -2.68 0.56 0.00 3.49 0.74 -0.78 -4.86 119.66 116.13 1cw3 s GLN 341 Ca -0.09 0.05 0.00 0.00 0.05 0.00 0.00 55.36 55.37 1cw3 s GLN 341 Cb 0.08 -0.78 0.00 0.00 1.10 0.00 0.00 33.01 33.40 1cw3 s GLN 341 CO 0.84 -0.20 0.00 0.41 -0.55 0.00 0.00 175.29 175.80 1cw3 n GLY 342 N 4.57 1.04 3.93 2.59 0.00 -1.26 -1.92 105.19 114.15 1cw3 n GLY 342 Ca -0.17 -1.89 -0.25 0.00 0.00 0.00 0.00 46.02 43.71 1cw3 n GLY 342 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1cw3 s PRO 343 N 2.02 2.79 0.86 1.61 0.04 -1.26 -4.77 135.00 136.30 1cw3 s PRO 343 Ca 0.00 -0.24 -0.11 0.00 0.04 0.00 0.00 61.00 60.69 1cw3 s PRO 343 Cb 0.00 -2.34 0.11 0.00 0.04 0.00 0.00 34.50 32.30 1cw3 s PRO 343 CO 0.00 -0.70 1.09 -0.65 0.04 0.00 0.00 177.00 176.79 1cw3 s GLN 344 N -4.91 1.57 0.23 4.56 -1.52 0.26 -4.64 119.66 115.20 1cw3 s GLN 344 Ca 0.54 0.92 -0.07 0.00 -1.95 0.00 0.00 55.36 54.80 1cw3 s GLN 344 Cb -0.10 -1.84 0.31 0.00 -0.22 0.00 0.00 33.01 31.16 1cw3 s GLN 344 CO 0.43 -2.05 1.82 -0.24 -0.25 0.00 0.00 175.29 175.00 1cw3 h VAL 345 N -1.42 0.97 -3.16 1.09 3.04 -1.90 -3.43 116.25 111.44 1cw3 h VAL 345 Ca -0.48 -0.27 -0.11 0.00 -1.01 0.00 0.00 66.70 64.83 1cw3 h VAL 345 Cb 1.27 0.10 -0.02 0.00 -2.01 0.00 0.00 31.29 30.64 1cw3 h VAL 345 CO 0.54 0.14 0.09 -0.90 -1.01 0.00 0.00 177.57 176.43 1cw3 n ASP 346 N -4.73 -1.60 -0.24 3.17 5.68 -1.26 -4.42 116.55 113.15 1cw3 n ASP 346 Ca 0.11 -2.42 -0.08 0.00 -0.50 0.00 0.00 54.79 51.90 1cw3 n ASP 346 Cb 0.21 2.76 0.04 0.00 -1.14 0.00 0.00 41.12 42.98 1cw3 n ASP 346 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1cw3 h GLU 347 N 0.00 1.12 -0.12 0.11 4.81 -1.98 -0.81 114.58 117.72 1cw3 h GLU 347 Ca -0.26 -0.31 0.04 0.00 -0.13 0.00 0.00 59.36 58.70 1cw3 h GLU 347 Cb 1.01 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.22 1cw3 h GLU 347 CO 0.33 1.03 -0.12 1.15 -0.73 0.00 0.00 179.01 180.68 1cw3 h THR 348 N 1.05 0.68 -0.30 0.32 2.02 -1.99 0.32 112.91 115.00 1cw3 h THR 348 Ca 0.20 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.36 1cw3 h THR 348 Cb 0.46 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 1cw3 h THR 348 CO 0.02 0.00 0.11 -0.61 0.37 0.00 0.00 175.52 175.41 1cw3 h GLN 349 N -0.14 0.45 -0.31 6.66 5.75 -1.95 -1.38 115.11 124.19 1cw3 h GLN 349 Ca 0.08 -0.09 0.07 0.00 -0.15 0.00 0.00 58.65 58.57 1cw3 h GLN 349 Cb 0.26 -0.07 -0.08 0.00 1.07 0.00 0.00 27.48 28.66 1cw3 h GLN 349 CO -0.20 0.48 -0.22 0.35 -2.65 0.00 0.00 178.83 176.58 1cw3 h PHE 350 N 0.33 -0.58 -0.57 3.99 3.57 -0.76 -0.84 116.94 122.09 1cw3 h PHE 350 Ca 0.10 0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.54 1cw3 h PHE 350 Cb 0.20 0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 1cw3 h PHE 350 CO -0.00 -0.30 -0.03 0.87 -2.23 0.00 0.00 178.31 176.62 1cw3 h LYS 351 N -0.19 1.01 -0.69 1.11 1.57 -0.85 -2.53 116.57 115.99 1cw3 h LYS 351 Ca 0.16 -0.33 -0.02 0.00 -1.87 0.00 0.00 60.65 58.59 1cw3 h LYS 351 Cb 0.44 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 1cw3 h LYS 351 CO -0.43 1.01 0.34 -0.22 -0.57 0.00 0.00 179.45 179.58 1cw3 h LYS 352 N 0.92 1.00 -0.55 3.15 3.64 -0.68 -0.93 116.57 123.11 1cw3 h LYS 352 Ca 0.16 -0.15 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 1cw3 h LYS 352 Cb 0.58 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 1cw3 h LYS 352 CO 0.03 0.78 0.10 0.82 -2.27 0.00 0.00 179.45 178.92 1cw3 h ILE 353 N 0.96 1.25 -0.08 2.00 2.04 -1.05 -1.58 117.51 121.06 1cw3 h ILE 353 Ca 0.24 -0.95 -0.05 0.00 1.00 0.00 0.00 64.86 65.10 1cw3 h ILE 353 Cb 0.11 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 1cw3 h ILE 353 CO -0.03 0.35 -0.17 -0.07 0.00 0.00 0.00 178.15 178.23 1cw3 h LEU 354 N 0.80 0.12 -0.55 1.44 3.38 -1.15 -0.03 115.31 119.32 1cw3 h LEU 354 Ca 0.17 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.97 1cw3 h LEU 354 Cb 0.40 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1cw3 h LEU 354 CO 0.01 0.30 -0.35 1.23 0.09 0.00 0.00 178.44 179.73 1cw3 h GLY 355 N 0.70 0.86 1.32 0.83 0.00 -0.49 -1.69 103.07 104.60 1cw3 h GLY 355 Ca 0.02 -0.83 -0.18 0.00 0.00 0.00 0.00 47.33 46.34 1cw3 h GLY 355 CO 0.02 0.76 -0.60 -0.97 0.00 0.00 0.00 176.54 175.75 1cw3 h TYR 356 N 0.66 0.89 -0.44 5.60 0.99 -0.65 -1.38 116.97 122.65 1cw3 h TYR 356 Ca 0.06 -0.33 0.00 0.00 2.00 0.00 0.00 58.73 60.46 1cw3 h TYR 356 Cb 0.90 -0.16 -0.02 0.00 1.00 0.00 0.00 36.73 38.44 1cw3 h TYR 356 CO 0.05 1.12 0.29 0.82 -0.00 0.00 0.00 178.16 180.44 1cw3 h ILE 357 N 0.52 1.11 -0.46 -2.88 2.04 -0.91 0.41 117.51 117.34 1cw3 h ILE 357 Ca -0.00 -0.21 -0.07 0.00 1.00 0.00 0.00 64.86 65.58 1cw3 h ILE 357 Cb 1.18 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 1cw3 h ILE 357 CO 0.12 0.11 -0.00 -1.13 0.00 0.00 0.00 178.15 177.25 1cw3 h ASN 358 N 0.60 0.74 -0.72 1.72 -0.73 -1.24 -2.28 115.58 113.67 1cw3 h ASN 358 Ca 0.16 -0.18 -0.05 0.00 1.87 0.00 0.00 56.30 58.10 1cw3 h ASN 358 Cb -0.07 -0.20 -0.03 0.00 0.27 0.00 0.00 38.32 38.30 1cw3 h ASN 358 CO -0.03 0.81 0.25 0.74 -0.37 0.00 0.00 177.43 178.82 1cw3 h THR 359 N 0.72 1.26 -0.32 -3.57 2.02 -0.64 -1.31 112.91 111.07 1cw3 h THR 359 Ca 0.14 -0.86 0.04 0.00 0.77 0.00 0.00 66.41 66.50 1cw3 h THR 359 Cb 0.44 0.46 -0.04 0.00 -1.74 0.00 0.00 68.15 67.28 1cw3 h THR 359 CO 0.02 0.34 0.10 1.23 0.37 0.00 0.00 175.52 177.58 1cw3 h GLY 360 N 1.05 0.39 0.96 2.16 0.00 -0.43 -0.47 103.07 106.72 1cw3 h GLY 360 Ca 0.23 -0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.49 1cw3 h GLY 360 CO -0.01 0.02 0.20 0.50 0.00 0.00 0.00 176.54 177.24 1cw3 h LYS 361 N 0.23 0.60 -0.31 4.80 1.57 -1.17 -2.17 116.57 120.11 1cw3 h LYS 361 Ca 0.14 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1cw3 h LYS 361 Cb 0.12 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1cw3 h LYS 361 CO -0.16 0.53 0.14 1.96 -0.57 0.00 0.00 179.45 181.35 1cw3 h GLN 362 N 0.53 0.43 0.00 3.15 1.08 -0.68 -2.40 115.11 117.21 1cw3 h GLN 362 Ca 0.14 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.30 1cw3 h GLN 362 Cb 0.13 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.47 1cw3 h GLN 362 CO -0.02 0.35 -0.09 0.39 -0.95 0.00 0.00 178.83 178.51 1cw3 n GLU 363 N -4.43 0.01 0.00 1.46 1.02 -0.24 -4.93 120.64 113.54 1cw3 n GLU 363 Ca 0.02 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 1cw3 n GLU 363 Cb 0.12 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 1cw3 n GLU 363 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1cw3 n GLY 364 N 1.49 1.05 3.73 0.62 0.00 -0.90 -5.07 105.19 106.10 1cw3 n GLY 364 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1cw3 n GLY 364 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cw3 s ALA 365 N -2.00 3.40 -0.58 4.61 0.00 -0.83 -4.94 121.76 121.41 1cw3 s ALA 365 Ca 0.00 0.87 -0.27 0.00 0.00 0.00 0.00 51.96 52.55 1cw3 s ALA 365 Cb 0.00 -3.41 -0.00 0.00 0.00 0.00 0.00 23.12 19.71 1cw3 s ALA 365 CO 0.00 -0.35 1.61 0.21 0.00 0.00 0.00 175.76 177.23 1cw3 s LYS 366 N 0.28 3.03 -0.22 0.00 2.20 -0.86 -4.53 119.74 119.64 1cw3 s LYS 366 Ca 0.54 0.52 -0.29 0.00 -0.36 0.00 0.00 55.97 56.39 1cw3 s LYS 366 Cb -0.30 -4.24 -0.03 0.00 -1.51 0.00 0.00 37.83 31.74 1cw3 s LYS 366 CO 0.33 -2.27 1.72 -1.17 -0.36 0.00 0.00 175.35 173.60 1cw3 s LEU 367 N 7.27 3.83 -0.04 5.43 2.96 -1.26 -0.24 118.68 136.63 1cw3 s LEU 367 Ca 0.59 1.66 0.16 0.00 -0.22 0.00 0.00 54.13 56.32 1cw3 s LEU 367 Cb -0.12 -3.53 -0.21 0.00 0.50 0.00 0.00 46.19 42.83 1cw3 s LEU 367 CO 0.23 -1.37 0.56 0.18 -1.32 0.00 0.00 176.35 174.63 1cw3 n LEU 368 N 8.93 0.58 -3.65 -0.68 4.77 0.04 -4.96 117.00 122.03 1cw3 n LEU 368 Ca 0.20 0.27 -0.05 0.00 -0.03 0.00 0.00 56.01 56.40 1cw3 n LEU 368 Cb 0.45 0.20 -0.02 0.00 -2.33 0.00 0.00 43.42 41.73 1cw3 n LEU 368 CO 0.66 0.29 0.70 0.00 -1.33 0.00 0.00 177.39 177.71 1cw3 n GLY 370 N -0.39 2.26 0.00 0.00 0.00 -1.25 -2.90 105.19 102.92 1cw3 n GLY 370 Ca -0.07 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.52 1cw3 n GLY 370 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cw3 n GLY 371 N 0.00 0.96 0.67 -0.02 0.00 -1.26 -4.96 105.19 100.58 1cw3 n GLY 371 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1cw3 n GLY 371 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cw3 n GLY 372 N -1.67 2.99 3.75 -0.02 0.00 -1.26 -4.95 105.19 104.03 1cw3 n GLY 372 Ca 0.00 -1.44 -0.41 0.00 0.00 0.00 0.00 46.02 44.17 1cw3 n GLY 372 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1cw3 s ILE 373 N -2.49 3.30 -0.18 -0.61 1.01 -1.26 -1.25 121.20 119.72 1cw3 s ILE 373 Ca 0.06 1.22 0.22 0.00 0.00 0.00 0.00 60.65 62.15 1cw3 s ILE 373 Cb -0.00 -3.78 -0.09 0.00 0.01 0.00 0.00 42.46 38.60 1cw3 s ILE 373 CO 0.04 0.26 0.88 0.00 0.00 0.00 0.00 174.94 176.12 1cw3 n ALA 374 N 1.60 2.50 -3.18 9.38 0.00 0.18 -4.67 120.51 126.31 1cw3 n ALA 374 Ca 0.01 -0.35 -0.13 0.00 0.00 0.00 0.00 53.44 52.97 1cw3 n ALA 374 Cb 0.44 -1.00 -0.07 0.00 0.00 0.00 0.00 19.45 18.83 1cw3 n ALA 374 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cw3 s ALA 375 N -3.33 -1.02 -0.84 0.00 0.00 -1.25 -4.99 121.76 110.34 1cw3 s ALA 375 Ca -0.03 0.36 0.27 0.00 0.00 0.00 0.00 51.96 52.56 1cw3 s ALA 375 Cb 0.10 0.30 0.97 0.00 0.00 0.00 0.00 23.12 24.49 1cw3 s ALA 375 CO 0.82 -0.43 1.83 -0.40 0.00 0.00 0.00 175.76 177.58 1cw3 n ASP 376 N 0.61 0.50 -4.38 0.00 5.75 -1.26 -4.67 116.55 113.09 1cw3 n ASP 376 Ca -0.19 0.54 -0.30 0.00 -0.01 0.00 0.00 54.79 54.83 1cw3 n ASP 376 Cb 0.59 -0.66 -0.14 0.00 -1.03 0.00 0.00 41.12 39.88 1cw3 n ASP 376 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1cw3 s ARG 377 N -3.06 1.72 0.80 0.11 1.81 -1.26 -5.05 118.95 114.02 1cw3 s ARG 377 Ca 0.12 -1.17 0.00 0.00 -1.72 0.00 0.00 55.73 52.96 1cw3 s ARG 377 Cb 0.15 -1.99 0.00 0.00 -0.45 0.00 0.00 34.95 32.66 1cw3 s ARG 377 CO 0.57 0.50 0.00 0.41 -0.68 0.00 0.00 175.30 176.10 1cw3 n GLY 378 N 1.46 -2.02 2.78 -3.53 0.00 -1.23 -4.49 105.19 98.16 1cw3 n GLY 378 Ca -0.17 -1.40 -0.33 0.00 0.00 0.00 0.00 46.02 44.12 1cw3 n GLY 378 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1cw3 n TYR 379 N -0.67 3.43 -3.17 1.61 4.02 -0.64 -4.96 117.16 116.79 1cw3 n TYR 379 Ca 0.00 -3.24 -0.39 0.00 -0.01 0.00 0.00 57.90 54.26 1cw3 n TYR 379 Cb 0.03 -0.76 -0.06 0.00 -0.02 0.00 0.00 39.34 38.53 1cw3 n TYR 379 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1cw3 s PHE 380 N -3.85 3.48 -0.06 -0.72 0.40 -1.26 -0.58 117.98 115.39 1cw3 s PHE 380 Ca 0.46 1.00 0.06 0.00 -0.60 0.00 0.00 56.93 57.84 1cw3 s PHE 380 Cb 0.27 -2.72 -0.01 0.00 0.51 0.00 0.00 43.02 41.08 1cw3 s PHE 380 CO -0.17 0.01 -0.24 0.42 0.70 0.00 0.00 175.22 175.94 1cw3 s ILE 381 N 1.17 2.00 0.32 0.64 1.01 -1.26 -0.65 121.20 124.43 1cw3 s ILE 381 Ca 0.30 -1.03 -0.29 0.00 0.00 0.00 0.00 60.65 59.63 1cw3 s ILE 381 Cb -0.16 -1.70 -0.10 0.00 0.01 0.00 0.00 42.46 40.51 1cw3 s ILE 381 CO 0.12 0.56 1.32 -1.10 0.00 0.00 0.00 174.94 175.84 1cw3 s GLN 382 N -0.10 4.34 -0.12 2.79 -0.21 -0.38 -4.72 119.66 121.27 1cw3 s GLN 382 Ca -0.05 2.23 -0.30 0.00 0.02 0.00 0.00 55.36 57.26 1cw3 s GLN 382 Cb -0.14 -3.07 -0.08 0.00 1.00 0.00 0.00 33.01 30.72 1cw3 s GLN 382 CO 0.04 -0.22 2.08 -2.30 -2.12 0.00 0.00 175.29 172.77 1cw3 n PRO 383 N 0.94 2.25 -4.12 2.91 -0.02 -1.26 -4.21 135.00 131.49 1cw3 n PRO 383 Ca 0.01 0.74 -0.33 0.00 -2.02 0.00 0.00 63.50 61.90 1cw3 n PRO 383 Cb 0.42 -2.99 -0.07 0.00 -0.02 0.00 0.00 33.50 30.83 1cw3 n PRO 383 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1cw3 s THR 384 N 6.16 4.65 -0.04 3.45 2.01 0.94 -3.74 115.64 129.07 1cw3 s THR 384 Ca 0.96 -0.44 0.00 0.00 0.31 0.00 0.00 61.69 62.52 1cw3 s THR 384 Cb -0.48 -3.12 0.03 0.00 0.01 0.00 0.00 72.50 68.94 1cw3 s THR 384 CO 0.42 0.35 -0.01 -0.69 -0.69 0.00 0.00 174.62 174.00 1cw3 s VAL 385 N -1.19 0.27 -0.14 3.82 1.01 -1.14 -0.69 120.40 122.34 1cw3 s VAL 385 Ca 0.23 0.06 -0.01 0.00 0.00 0.00 0.00 61.98 62.25 1cw3 s VAL 385 Cb -0.12 -0.37 -0.02 0.00 0.00 0.00 0.00 36.38 35.87 1cw3 s VAL 385 CO 0.14 0.18 -0.10 -0.36 0.00 0.00 0.00 175.10 174.96 1cw3 s PHE 386 N 1.19 2.88 0.26 5.22 0.40 0.10 -0.78 117.98 127.26 1cw3 s PHE 386 Ca -0.07 -0.55 0.07 0.00 -0.60 0.00 0.00 56.93 55.78 1cw3 s PHE 386 Cb -0.13 -1.89 -0.04 0.00 0.51 0.00 0.00 43.02 41.47 1cw3 s PHE 386 CO -0.02 -0.17 0.18 0.20 0.70 0.00 0.00 175.22 176.11 1cw3 s GLY 387 N 0.40 1.49 -1.72 4.36 0.00 0.67 -1.35 107.32 111.17 1cw3 s GLY 387 Ca -0.08 -1.49 -0.01 0.00 0.00 0.00 0.00 44.72 43.15 1cw3 s GLY 387 CO 0.04 -1.52 0.09 1.22 0.00 0.00 0.00 173.10 172.94 1cw3 n ASP 388 N -1.16 -5.85 -4.77 1.64 8.00 -0.95 -2.03 116.55 111.44 1cw3 n ASP 388 Ca -0.07 -0.05 -0.39 0.00 0.71 0.00 0.00 54.79 54.99 1cw3 n ASP 388 Cb 0.58 -4.85 0.01 0.00 -0.02 0.00 0.00 41.12 36.84 1cw3 n ASP 388 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1cw3 s VAL 389 N -3.04 2.41 0.12 2.53 1.01 -1.00 -4.80 120.40 117.62 1cw3 s VAL 389 Ca 0.05 0.36 0.07 0.00 0.00 0.00 0.00 61.98 62.45 1cw3 s VAL 389 Cb -0.02 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 1cw3 s VAL 389 CO 0.06 0.04 -0.05 -1.10 0.00 0.00 0.00 175.10 174.05 1cw3 s GLN 390 N -2.40 2.29 0.25 2.72 -1.52 -1.26 -4.56 119.66 115.18 1cw3 s GLN 390 Ca 0.60 -0.99 -0.04 0.00 -1.95 0.00 0.00 55.36 52.97 1cw3 s GLN 390 Cb -0.40 -2.38 0.48 0.00 -0.22 0.00 0.00 33.01 30.50 1cw3 s GLN 390 CO 0.50 0.51 1.69 -0.44 -0.25 0.00 0.00 175.29 177.30 1cw3 h ASP 391 N 3.37 0.04 0.75 5.90 5.19 -1.95 -1.89 116.42 127.83 1cw3 h ASP 391 Ca -0.48 0.15 0.00 0.00 -0.62 0.00 0.00 57.03 56.07 1cw3 h ASP 391 Cb 1.17 0.19 0.00 0.00 0.18 0.00 0.00 39.33 40.87 1cw3 h ASP 391 CO 0.55 -0.03 0.00 0.61 -3.12 0.00 0.00 179.24 177.25 1cw3 n GLY 392 N -1.35 -1.29 3.75 2.75 0.00 -1.26 -4.50 105.19 103.29 1cw3 n GLY 392 Ca 0.15 0.09 -0.37 0.00 0.00 0.00 0.00 46.02 45.88 1cw3 n GLY 392 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1cw3 s MET 393 N -3.32 3.12 0.13 1.61 -1.94 -0.71 -4.91 119.30 113.28 1cw3 s MET 393 Ca 0.04 2.01 -0.16 0.00 -1.71 0.00 0.00 55.69 55.87 1cw3 s MET 393 Cb 0.09 -2.13 -0.01 0.00 2.01 0.00 0.00 34.83 34.79 1cw3 s MET 393 CO 0.40 -1.13 1.66 1.15 -0.01 0.00 0.00 175.02 177.08 1cw3 h THR 394 N 1.24 1.21 0.00 2.05 2.02 -1.89 -1.90 112.91 115.65 1cw3 h THR 394 Ca -0.50 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 65.98 1cw3 h THR 394 Cb 1.30 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 68.61 1cw3 h THR 394 CO 0.57 0.24 0.00 2.30 0.37 0.00 0.00 175.52 179.00 1cw3 n ILE 395 N -4.60 1.27 1.01 3.11 -5.35 -1.26 -0.59 119.36 112.94 1cw3 n ILE 395 Ca -0.00 0.50 0.11 0.00 -0.27 0.00 0.00 62.75 63.08 1cw3 n ILE 395 Cb 0.17 -1.44 -0.02 0.00 -1.74 0.00 0.00 39.64 36.60 1cw3 n ILE 395 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1cw3 n ALA 396 N -1.66 4.19 -0.02 -1.28 0.00 -0.76 -4.53 120.51 116.46 1cw3 n ALA 396 Ca 0.00 -0.58 -0.02 0.00 0.00 0.00 0.00 53.44 52.84 1cw3 n ALA 396 Cb 0.08 -0.83 -0.03 0.00 0.00 0.00 0.00 19.45 18.68 1cw3 n ALA 396 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1cw3 n LYS 397 N -0.97 2.62 -3.91 0.00 5.02 -0.23 -4.95 118.16 115.73 1cw3 n LYS 397 Ca 0.06 0.01 -0.34 0.00 -2.02 0.00 0.00 58.31 56.02 1cw3 n LYS 397 Cb 0.38 -1.09 -0.05 0.00 -0.02 0.00 0.00 35.03 34.24 1cw3 n LYS 397 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1cw3 s GLU 398 N -2.09 3.42 -0.30 1.97 2.02 0.24 -4.90 118.70 119.06 1cw3 s GLU 398 Ca -0.03 -0.29 -0.29 0.00 0.02 0.00 0.00 54.97 54.38 1cw3 s GLU 398 Cb 0.01 -3.10 -0.01 0.00 0.10 0.00 0.00 34.13 31.13 1cw3 s GLU 398 CO 0.14 0.69 1.58 -2.00 0.02 0.00 0.00 175.26 175.70 1cw3 s GLU 399 N -1.75 3.64 0.03 1.61 2.12 -1.26 -4.81 118.70 118.28 1cw3 s GLU 399 Ca 0.25 1.39 -0.02 0.00 0.36 0.00 0.00 54.97 56.94 1cw3 s GLU 399 Cb -0.12 -4.06 -0.27 0.00 0.26 0.00 0.00 34.13 29.93 1cw3 s GLU 399 CO 0.16 -1.49 0.97 0.82 -0.54 0.00 0.00 175.26 175.18 1cw3 h ILE 400 N 6.38 1.30 -4.93 -3.70 2.04 -1.92 -3.48 117.51 113.19 1cw3 h ILE 400 Ca -0.31 -2.92 -0.40 0.00 1.00 0.00 0.00 64.86 62.23 1cw3 h ILE 400 Cb 1.14 2.82 0.01 0.00 -0.74 0.00 0.00 36.82 40.05 1cw3 h ILE 400 CO 1.03 0.84 -0.60 0.33 0.00 0.00 0.00 178.15 179.76 1cw3 n PHE 401 N -3.46 -1.96 -4.20 1.37 7.35 -1.26 -4.71 117.46 110.59 1cw3 n PHE 401 Ca -0.13 0.53 -0.18 0.00 -0.76 0.00 0.00 57.45 56.92 1cw3 n PHE 401 Cb 1.03 -3.96 -0.06 0.00 0.35 0.00 0.00 39.48 36.84 1cw3 n PHE 401 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1cw3 n GLY 402 N -1.42 2.55 2.30 7.13 0.00 -1.23 -4.12 105.19 110.40 1cw3 n GLY 402 Ca -0.07 -1.79 -0.30 0.00 0.00 0.00 0.00 46.02 43.86 1cw3 n GLY 402 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1cw3 n PRO 403 N -0.63 3.04 -3.97 1.61 -0.04 -1.22 -4.39 135.00 129.42 1cw3 n PRO 403 Ca 0.05 -1.80 -0.31 0.00 -0.04 0.00 0.00 63.50 61.40 1cw3 n PRO 403 Cb 0.61 -2.56 -0.15 0.00 -0.04 0.00 0.00 33.50 31.36 1cw3 n PRO 403 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1cw3 s VAL 404 N 2.16 1.73 -0.02 0.52 1.01 -1.26 -0.04 120.40 124.50 1cw3 s VAL 404 Ca 0.63 -1.48 -0.18 0.00 0.00 0.00 0.00 61.98 60.95 1cw3 s VAL 404 Cb 0.19 -2.02 -0.05 0.00 0.00 0.00 0.00 36.38 34.50 1cw3 s VAL 404 CO -0.04 -0.18 0.52 -0.32 0.00 0.00 0.00 175.10 175.07 1cw3 s MET 405 N 1.28 4.22 -0.25 2.72 1.75 0.13 -4.98 119.30 124.18 1cw3 s MET 405 Ca -0.03 0.59 -0.03 0.00 -1.25 0.00 0.00 55.69 54.97 1cw3 s MET 405 Cb -0.19 -3.33 0.02 0.00 2.84 0.00 0.00 34.83 34.17 1cw3 s MET 405 CO -0.07 0.41 -0.04 -0.65 -0.65 0.00 0.00 175.02 174.02 1cw3 s GLN 406 N -0.27 2.94 -0.29 4.11 1.11 -1.26 0.02 119.66 126.02 1cw3 s GLN 406 Ca 0.28 -0.92 -0.06 0.00 0.01 0.00 0.00 55.36 54.67 1cw3 s GLN 406 Cb -0.17 -3.03 0.01 0.00 -1.01 0.00 0.00 33.01 28.81 1cw3 s GLN 406 CO 0.15 -0.38 0.07 0.42 0.01 0.00 0.00 175.29 175.56 1cw3 s ILE 407 N 1.37 3.82 0.10 1.08 1.01 -0.46 -1.01 121.20 127.11 1cw3 s ILE 407 Ca 0.01 -0.78 0.04 0.00 0.00 0.00 0.00 60.65 59.92 1cw3 s ILE 407 Cb -0.16 -2.99 -0.04 0.00 0.01 0.00 0.00 42.46 39.28 1cw3 s ILE 407 CO -0.04 0.06 0.05 -0.76 0.00 0.00 0.00 174.94 174.26 1cw3 s LEU 408 N 1.47 3.65 -0.06 2.97 1.02 0.30 -2.23 118.68 125.80 1cw3 s LEU 408 Ca 0.02 -0.11 -0.01 0.00 0.02 0.00 0.00 54.13 54.05 1cw3 s LEU 408 Cb -0.17 -2.34 -0.03 0.00 0.02 0.00 0.00 46.19 43.66 1cw3 s LEU 408 CO 0.02 0.16 0.00 -0.75 0.02 0.00 0.00 176.35 175.80 1cw3 s LYS 409 N -2.46 2.92 0.13 1.70 2.20 -1.26 -0.58 119.74 122.38 1cw3 s LYS 409 Ca 0.28 -0.47 -0.06 0.00 -0.36 0.00 0.00 55.97 55.36 1cw3 s LYS 409 Cb -0.12 -2.75 -0.02 0.00 -1.51 0.00 0.00 37.83 33.43 1cw3 s LYS 409 CO 0.21 0.68 0.16 -0.59 -0.36 0.00 0.00 175.35 175.45 1cw3 s PHE 410 N -0.95 0.52 0.00 4.03 -0.12 -0.50 -4.89 117.98 116.07 1cw3 s PHE 410 Ca 0.15 -0.92 0.00 0.00 -0.05 0.00 0.00 56.93 56.12 1cw3 s PHE 410 Cb -0.11 -0.23 0.00 0.00 -0.63 0.00 0.00 43.02 42.05 1cw3 s PHE 410 CO 0.05 -0.59 0.00 1.17 -0.05 0.00 0.00 175.22 175.80 1cw3 n LYS 411 N -0.12 0.00 -2.87 1.99 4.81 -1.26 -0.36 118.16 120.34 1cw3 n LYS 411 Ca -0.09 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.11 1cw3 n LYS 411 Cb 0.63 -0.24 0.01 0.00 0.02 0.00 0.00 35.03 35.45 1cw3 n LYS 411 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1cw3 s THR 412 N -0.82 4.22 0.20 3.15 -4.23 -1.26 -4.79 115.64 112.11 1cw3 s THR 412 Ca 0.00 -0.29 0.06 0.00 -1.18 0.00 0.00 61.69 60.28 1cw3 s THR 412 Cb 0.00 -3.58 -0.11 0.00 1.34 0.00 0.00 72.50 70.14 1cw3 s THR 412 CO 0.00 -0.47 1.45 -0.29 -0.54 0.00 0.00 174.62 174.77 1cw3 h ILE 413 N 0.31 1.51 -0.46 2.99 2.10 -1.99 -2.55 117.51 119.42 1cw3 h ILE 413 Ca -0.47 -2.55 -0.12 0.00 1.08 0.00 0.00 64.86 62.80 1cw3 h ILE 413 Cb 1.24 2.39 -0.02 0.00 -1.09 0.00 0.00 36.82 39.35 1cw3 h ILE 413 CO 0.59 0.74 -0.18 -0.33 -1.08 0.00 0.00 178.15 177.88 1cw3 h GLU 414 N 0.06 0.91 0.04 2.19 3.07 -2.00 -2.51 114.58 116.34 1cw3 h GLU 414 Ca -0.02 -0.36 -0.00 0.00 -0.50 0.00 0.00 59.36 58.48 1cw3 h GLU 414 Cb 1.39 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.25 1cw3 h GLU 414 CO 0.11 1.01 -0.02 1.49 -1.40 0.00 0.00 179.01 180.21 1cw3 h GLU 415 N 0.80 -0.05 0.00 2.33 4.81 -1.95 -2.77 114.58 117.75 1cw3 h GLU 415 Ca 0.11 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.30 1cw3 h GLU 415 Cb 0.73 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 1cw3 h GLU 415 CO 0.06 0.08 -0.22 -0.24 -0.73 0.00 0.00 179.01 177.95 1cw3 h VAL 416 N -0.17 0.79 -0.08 0.32 3.04 -1.42 -1.99 116.25 116.75 1cw3 h VAL 416 Ca -0.01 -0.90 -0.02 0.00 -1.01 0.00 0.00 66.70 64.76 1cw3 h VAL 416 Cb 0.15 1.55 -0.00 0.00 -2.01 0.00 0.00 31.29 30.98 1cw3 h VAL 416 CO 0.01 0.22 -0.04 0.58 -1.01 0.00 0.00 177.57 177.33 1cw3 h VAL 417 N 0.00 1.32 -0.59 1.51 2.07 -1.31 0.59 116.25 119.84 1cw3 h VAL 417 Ca -0.00 -1.05 -0.02 0.00 0.82 0.00 0.00 66.70 66.45 1cw3 h VAL 417 Cb 0.53 1.86 -0.03 0.00 -1.52 0.00 0.00 31.29 32.13 1cw3 h VAL 417 CO 0.03 0.29 0.28 1.23 0.02 0.00 0.00 177.57 179.42 1cw3 h GLY 418 N -0.21 0.91 1.13 2.17 0.00 -1.30 -1.01 103.07 104.75 1cw3 h GLY 418 Ca 0.02 -0.45 -0.10 0.00 0.00 0.00 0.00 47.33 46.80 1cw3 h GLY 418 CO 0.01 0.43 -0.04 3.21 0.00 0.00 0.00 176.54 180.15 1cw3 h ARG 419 N 0.80 1.03 -0.60 4.80 3.08 -1.35 -0.45 114.38 121.69 1cw3 h ARG 419 Ca 0.20 -0.34 -0.09 0.00 0.07 0.00 0.00 59.98 59.82 1cw3 h ARG 419 Cb 0.12 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 1cw3 h ARG 419 CO -0.03 1.03 0.04 0.00 -1.07 0.00 0.00 179.97 179.94 1cw3 h ALA 420 N 1.01 0.80 0.00 0.04 0.00 -0.64 -2.81 119.26 117.65 1cw3 h ALA 420 Ca 0.16 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1cw3 h ALA 420 Cb 0.59 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1cw3 h ALA 420 CO 0.04 0.61 -0.06 0.09 0.00 0.00 0.00 179.25 179.92 1cw3 n ASN 421 N -4.24 0.31 -3.94 0.00 3.02 -0.40 -4.45 115.26 105.55 1cw3 n ASN 421 Ca 0.03 0.45 -0.42 0.00 -0.03 0.00 0.00 54.58 54.61 1cw3 n ASN 421 Cb 0.32 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.99 1cw3 n ASN 421 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1cw3 n ASN 422 N -1.75 4.15 -3.56 6.41 5.15 -0.19 -4.79 115.26 120.67 1cw3 n ASN 422 Ca 0.06 -2.86 -0.16 0.00 -0.60 0.00 0.00 54.58 51.02 1cw3 n ASN 422 Cb 0.37 -1.68 -0.06 0.00 -0.53 0.00 0.00 39.78 37.88 1cw3 n ASN 422 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1cw3 s SER 423 N 3.43 -0.53 0.00 1.20 0.15 -1.26 -5.00 113.70 111.69 1cw3 s SER 423 Ca 0.49 0.43 0.27 0.00 0.70 0.00 0.00 55.95 57.83 1cw3 s SER 423 Cb 0.11 0.50 0.81 0.00 -1.71 0.00 0.00 66.02 65.73 1cw3 s SER 423 CO -0.05 -0.65 1.62 0.35 1.20 0.00 0.00 173.24 175.71 1cw3 n THR 424 N 0.71 0.00 -2.93 6.45 -2.24 -1.26 -4.85 114.28 110.17 1cw3 n THR 424 Ca -0.19 -0.02 -0.20 0.00 -2.27 0.00 0.00 64.05 61.37 1cw3 n THR 424 Cb 0.58 0.03 0.02 0.00 -2.10 0.00 0.00 70.33 68.86 1cw3 n THR 424 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1cw3 s TYR 425 N -2.89 2.98 -0.21 4.78 4.12 -1.26 -1.38 117.35 123.48 1cw3 s TYR 425 Ca 0.15 -0.06 0.00 0.00 0.02 0.00 0.00 57.07 57.18 1cw3 s TYR 425 Cb 0.18 -2.45 0.01 0.00 -1.52 0.00 0.00 41.96 38.18 1cw3 s TYR 425 CO 0.61 -0.52 0.86 0.41 0.02 0.00 0.00 175.55 176.93 1cw3 n GLY 426 N -2.07 -1.02 0.09 0.71 0.00 -1.21 -4.85 105.19 96.84 1cw3 n GLY 426 Ca 0.05 -0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.89 1cw3 n GLY 426 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1cw3 h LEU 427 N 0.71 0.26 -8.39 0.99 5.85 -1.82 0.10 115.31 113.01 1cw3 h LEU 427 Ca -0.44 -0.97 -0.16 0.00 0.84 0.00 0.00 57.88 57.15 1cw3 h LEU 427 Cb 1.16 -0.08 -0.10 0.00 0.37 0.00 0.00 40.66 42.01 1cw3 h LEU 427 CO -0.17 1.23 -0.22 0.00 -0.34 0.00 0.00 178.44 178.94 1cw3 s ALA 428 N -2.34 0.31 -0.00 1.25 0.00 -1.26 -2.72 121.76 117.00 1cw3 s ALA 428 Ca -0.16 -1.22 -0.28 0.00 0.00 0.00 0.00 51.96 50.30 1cw3 s ALA 428 Cb -0.01 1.14 0.10 0.00 0.00 0.00 0.00 23.12 24.35 1cw3 s ALA 428 CO 0.77 -0.79 0.83 0.00 0.00 0.00 0.00 175.76 176.56 1cw3 s ALA 429 N -3.70 -1.79 0.02 0.00 0.00 0.10 -4.06 121.76 112.33 1cw3 s ALA 429 Ca 0.28 1.03 -0.02 0.00 0.00 0.00 0.00 51.96 53.25 1cw3 s ALA 429 Cb 0.01 0.29 -0.02 0.00 0.00 0.00 0.00 23.12 23.40 1cw3 s ALA 429 CO 0.13 -0.61 0.01 0.00 0.00 0.00 0.00 175.76 175.29 1cw3 s ALA 430 N -2.73 0.06 -0.05 0.00 0.00 -0.27 -1.10 121.76 117.67 1cw3 s ALA 430 Ca 0.01 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.42 1cw3 s ALA 430 Cb -0.01 0.16 0.02 0.00 0.00 0.00 0.00 23.12 23.29 1cw3 s ALA 430 CO -0.06 -0.20 -0.03 0.08 0.00 0.00 0.00 175.76 175.55 1cw3 s VAL 431 N -1.71 0.49 -0.30 0.00 1.01 0.06 -0.76 120.40 119.19 1cw3 s VAL 431 Ca -0.13 -0.05 0.02 0.00 0.00 0.00 0.00 61.98 61.81 1cw3 s VAL 431 Cb -0.08 -0.55 0.07 0.00 0.00 0.00 0.00 36.38 35.82 1cw3 s VAL 431 CO -0.01 0.23 -0.03 -0.36 0.00 0.00 0.00 175.10 174.93 1cw3 s PHE 432 N 1.22 3.41 0.18 5.22 0.40 0.49 -0.20 117.98 128.71 1cw3 s PHE 432 Ca -0.06 -2.41 -0.22 0.00 -0.60 0.00 0.00 56.93 53.63 1cw3 s PHE 432 Cb -0.14 -2.30 0.06 0.00 0.51 0.00 0.00 43.02 41.16 1cw3 s PHE 432 CO -0.02 -0.89 0.60 -0.08 0.70 0.00 0.00 175.22 175.54 1cw3 s THR 433 N 1.08 0.00 -0.31 0.64 -1.32 -1.26 -1.14 115.64 113.33 1cw3 s THR 433 Ca -0.02 -0.21 0.18 0.00 -1.21 0.00 0.00 61.69 60.42 1cw3 s THR 433 Cb -0.20 -1.18 -0.25 0.00 -1.51 0.00 0.00 72.50 69.36 1cw3 s THR 433 CO -0.05 -0.02 0.52 0.29 -2.21 0.00 0.00 174.62 173.15 1cw3 n LYS 434 N -0.38 0.80 -2.67 7.08 5.02 -1.24 -4.85 118.16 121.91 1cw3 n LYS 434 Ca -0.15 -0.10 -0.43 0.00 -2.02 0.00 0.00 58.31 55.61 1cw3 n LYS 434 Cb 0.64 -1.39 -0.02 0.00 -0.02 0.00 0.00 35.03 34.24 1cw3 n LYS 434 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1cw3 s ASP 435 N -3.55 7.21 0.16 4.39 -1.08 -1.26 -4.97 116.67 117.57 1cw3 s ASP 435 Ca -0.02 1.51 -0.15 0.00 -0.52 0.00 0.00 52.55 53.38 1cw3 s ASP 435 Cb 0.12 -2.55 0.09 0.00 -1.46 0.00 0.00 42.92 39.12 1cw3 s ASP 435 CO 0.73 -0.50 1.77 0.25 0.52 0.00 0.00 175.17 177.94 1cw3 h LEU 436 N 8.34 0.25 -1.30 -1.34 5.85 -2.00 -1.92 115.31 123.19 1cw3 h LEU 436 Ca -0.28 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.40 1cw3 h LEU 436 Cb 1.13 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 1cw3 h LEU 436 CO 0.88 0.18 -0.32 0.44 -0.34 0.00 0.00 178.44 179.28 1cw3 h ASP 437 N 0.38 0.00 -0.03 1.25 3.45 -1.99 -2.28 116.42 117.20 1cw3 h ASP 437 Ca 0.19 0.00 -0.10 0.00 0.43 0.00 0.00 57.03 57.55 1cw3 h ASP 437 Cb 0.12 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 38.90 1cw3 h ASP 437 CO -0.15 0.32 -0.36 0.11 -1.57 0.00 0.00 179.24 177.59 1cw3 h LYS 438 N 0.00 0.29 -0.36 3.56 1.57 -1.89 -1.76 116.57 117.98 1cw3 h LYS 438 Ca -0.00 -0.28 0.06 0.00 -1.87 0.00 0.00 60.65 58.56 1cw3 h LYS 438 Cb 0.66 0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.99 1cw3 h LYS 438 CO 0.04 0.96 0.05 0.00 -0.57 0.00 0.00 179.45 179.93 1cw3 h ALA 439 N 0.34 0.37 -0.36 3.86 0.00 -1.23 0.39 119.26 122.63 1cw3 h ALA 439 Ca -0.04 0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 1cw3 h ALA 439 Cb 1.07 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1cw3 h ALA 439 CO 0.07 -0.36 -0.41 -0.91 0.00 0.00 0.00 179.25 177.64 1cw3 h ASN 440 N 0.16 0.96 -0.01 0.00 2.35 -1.49 -0.94 115.58 116.61 1cw3 h ASN 440 Ca 0.18 -0.45 0.00 0.00 -0.55 0.00 0.00 56.30 55.48 1cw3 h ASN 440 Cb 0.22 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.32 1cw3 h ASN 440 CO -0.25 1.24 0.00 0.22 -1.65 0.00 0.00 177.43 176.99 1cw3 h TYR 441 N 0.72 0.01 -0.11 1.19 3.20 -0.90 -2.53 116.97 118.54 1cw3 h TYR 441 Ca 0.05 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.89 1cw3 h TYR 441 Cb 1.00 -0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.27 1cw3 h TYR 441 CO 0.06 0.03 -0.04 -0.07 -1.64 0.00 0.00 178.16 176.50 1cw3 h LEU 442 N -0.01 0.22 -2.15 2.82 3.38 -0.92 -0.95 115.31 117.69 1cw3 h LEU 442 Ca 0.00 -0.39 0.01 0.00 0.09 0.00 0.00 57.88 57.59 1cw3 h LEU 442 Cb 0.02 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1cw3 h LEU 442 CO -0.00 0.56 0.02 0.77 0.09 0.00 0.00 178.44 179.88 1cw3 h SER 443 N -0.12 0.00 0.07 -0.43 4.64 -1.21 -0.67 113.55 115.83 1cw3 h SER 443 Ca 0.03 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.23 1cw3 h SER 443 Cb 0.47 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.57 1cw3 h SER 443 CO 0.01 0.00 -0.55 -0.61 -0.87 0.00 0.00 176.83 174.81 1cw3 h GLN 444 N 0.00 0.16 -0.55 4.77 4.15 -1.35 -3.37 115.11 118.92 1cw3 h GLN 444 Ca 0.01 -0.27 -0.09 0.00 0.77 0.00 0.00 58.65 59.07 1cw3 h GLN 444 Cb 0.04 0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.81 1cw3 h GLN 444 CO -0.00 1.13 -0.00 0.00 -1.93 0.00 0.00 178.83 178.03 1cw3 h ALA 445 N 0.01 0.97 -2.58 3.38 0.00 -0.68 -3.44 119.26 116.91 1cw3 h ALA 445 Ca -0.11 -0.29 -0.52 0.00 0.00 0.00 0.00 54.91 53.99 1cw3 h ALA 445 Cb 1.37 -0.21 0.05 0.00 0.00 0.00 0.00 17.79 19.00 1cw3 h ALA 445 CO 0.06 0.63 1.01 -0.51 0.00 0.00 0.00 179.25 180.44 1cw3 s LEU 446 N -9.24 4.38 -1.22 0.00 1.43 -0.30 -4.93 118.68 108.80 1cw3 s LEU 446 Ca -0.11 2.75 -0.10 0.00 -1.03 0.00 0.00 54.13 55.64 1cw3 s LEU 446 Cb 0.14 -3.59 0.20 0.00 0.03 0.00 0.00 46.19 42.98 1cw3 s LEU 446 CO 0.83 -0.94 1.62 0.00 0.23 0.00 0.00 176.35 178.09 1cw3 n GLN 447 N 4.62 3.67 -4.05 1.70 6.02 -1.26 -4.94 117.38 123.14 1cw3 n GLN 447 Ca 0.16 -3.86 -0.11 0.00 -0.01 0.00 0.00 57.00 53.18 1cw3 n GLN 447 Cb 0.37 -2.86 -0.11 0.00 1.02 0.00 0.00 30.24 28.66 1cw3 n GLN 447 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1cw3 s ALA 448 N 0.11 0.45 0.35 -1.58 0.00 -1.26 -4.56 121.76 115.26 1cw3 s ALA 448 Ca 0.39 -0.79 0.16 0.00 0.00 0.00 0.00 51.96 51.71 1cw3 s ALA 448 Cb 0.03 0.11 0.81 0.00 0.00 0.00 0.00 23.12 24.08 1cw3 s ALA 448 CO 0.01 -0.12 1.84 0.78 0.00 0.00 0.00 175.76 178.28 1cw3 h GLY 449 N 4.30 0.00 -7.14 0.00 0.00 -1.12 -3.42 103.07 95.68 1cw3 h GLY 449 Ca -0.34 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.65 1cw3 h GLY 449 CO 0.45 0.00 -0.71 -1.59 0.00 0.00 0.00 176.54 174.69 1cw3 s THR 450 N -4.09 -0.15 -0.31 4.70 2.01 -1.13 -4.70 115.64 111.96 1cw3 s THR 450 Ca -0.02 0.40 -0.04 0.00 0.31 0.00 0.00 61.69 62.34 1cw3 s THR 450 Cb 0.14 -0.19 0.04 0.00 0.01 0.00 0.00 72.50 72.50 1cw3 s THR 450 CO 0.70 0.17 0.04 -0.69 -0.69 0.00 0.00 174.62 174.14 1cw3 s VAL 451 N 2.15 3.31 0.07 3.82 1.01 -1.26 -0.72 120.40 128.78 1cw3 s VAL 451 Ca 0.04 -1.26 -0.21 0.00 0.00 0.00 0.00 61.98 60.54 1cw3 s VAL 451 Cb -0.12 -2.88 -0.07 0.00 0.00 0.00 0.00 36.38 33.32 1cw3 s VAL 451 CO -0.04 -0.12 0.64 0.26 0.00 0.00 0.00 175.10 175.84 1cw3 s TRP 452 N 1.32 3.80 -0.25 5.22 0.51 -0.26 -4.96 118.94 124.31 1cw3 s TRP 452 Ca -0.04 1.35 -0.00 0.00 -2.12 0.00 0.00 56.10 55.29 1cw3 s TRP 452 Cb -0.20 -2.61 0.04 0.00 -0.81 0.00 0.00 33.47 29.89 1cw3 s TRP 452 CO 0.00 0.49 -0.07 0.08 -0.51 0.00 0.00 176.95 176.94 1cw3 s VAL 453 N -0.81 2.67 -1.50 4.03 1.01 -1.26 -0.76 120.40 123.78 1cw3 s VAL 453 Ca 0.32 -1.22 -0.00 0.00 0.00 0.00 0.00 61.98 61.07 1cw3 s VAL 453 Cb -0.20 -2.42 0.00 0.00 0.00 0.00 0.00 36.38 33.76 1cw3 s VAL 453 CO 0.21 0.12 0.04 0.59 0.00 0.00 0.00 175.10 176.06 1cw3 n ASN 454 N 4.60 -5.19 -3.67 3.32 3.02 0.72 -4.95 115.26 113.11 1cw3 n ASN 454 Ca -0.16 -0.03 -0.04 0.00 -0.03 0.00 0.00 54.58 54.31 1cw3 n ASN 454 Cb 0.45 -4.25 -0.01 0.00 -0.61 0.00 0.00 39.78 35.36 1cw3 n ASN 454 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1cw3 s TYR 456 N -3.16 -0.20 -1.47 0.00 5.04 -1.26 -4.68 117.35 111.62 1cw3 s TYR 456 Ca 0.10 0.37 -0.08 0.00 -2.44 0.00 0.00 57.07 55.03 1cw3 s TYR 456 Cb -0.01 0.09 0.02 0.00 0.35 0.00 0.00 41.96 42.42 1cw3 s TYR 456 CO -0.01 -0.34 0.86 -0.25 -1.34 0.00 0.00 175.55 174.46 1cw3 n ASP 457 N 1.60 -5.97 -4.43 4.32 8.00 -1.26 -4.94 116.55 113.88 1cw3 n ASP 457 Ca -0.20 -0.44 -0.44 0.00 0.71 0.00 0.00 54.79 54.42 1cw3 n ASP 457 Cb 0.56 -4.77 -0.06 0.00 -0.02 0.00 0.00 41.12 36.83 1cw3 n ASP 457 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1cw3 s VAL 458 N -3.23 4.91 -0.07 2.53 1.01 -1.26 -5.03 120.40 119.26 1cw3 s VAL 458 Ca 0.45 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.78 1cw3 s VAL 458 Cb -0.21 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 31.84 1cw3 s VAL 458 CO 0.56 -0.82 0.05 -0.36 0.00 0.00 0.00 175.10 174.53 1cw3 s PHE 459 N 2.51 3.28 -0.03 5.22 0.40 -1.26 -5.10 117.98 123.00 1cw3 s PHE 459 Ca 0.13 0.27 0.00 0.00 -0.60 0.00 0.00 56.93 56.73 1cw3 s PHE 459 Cb -0.20 -1.81 0.03 0.00 0.51 0.00 0.00 43.02 41.55 1cw3 s PHE 459 CO 0.11 0.55 0.01 0.20 0.70 0.00 0.00 175.22 176.78 1cw3 s GLY 460 N -1.12 0.24 0.61 4.36 0.00 -1.26 -5.00 107.32 105.14 1cw3 s GLY 460 Ca 0.16 0.16 0.29 0.00 0.00 0.00 0.00 44.72 45.33 1cw3 s GLY 460 CO 0.05 0.70 1.94 0.00 0.00 0.00 0.00 173.10 175.79 1cw3 h ALA 461 N 7.41 1.92 0.00 3.20 0.00 -1.96 0.16 119.26 129.99 1cw3 h ALA 461 Ca -0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1cw3 h ALA 461 Cb 1.13 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1cw3 h ALA 461 CO 0.44 -0.56 -0.82 0.00 0.00 0.00 0.00 179.25 178.32 1cw3 n GLN 462 N -3.54 0.30 -4.06 0.00 0.00 -1.26 0.23 117.38 109.04 1cw3 n GLN 462 Ca 0.05 0.05 -0.35 0.00 0.00 0.00 0.00 57.00 56.75 1cw3 n GLN 462 Cb 0.54 -1.65 -0.11 0.00 0.00 0.00 0.00 30.24 29.02 1cw3 n GLN 462 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 1cw3 s SER 463 N -4.12 5.18 0.71 2.61 0.01 0.55 -3.94 113.70 114.69 1cw3 s SER 463 Ca 0.05 -0.08 -0.16 0.00 1.31 0.00 0.00 55.95 57.06 1cw3 s SER 463 Cb 0.14 -1.89 0.01 0.00 0.21 0.00 0.00 66.02 64.49 1cw3 s SER 463 CO 0.76 0.11 1.03 -0.81 0.41 0.00 0.00 173.24 174.74 1cw3 n PRO 464 N 3.98 0.58 -3.72 12.44 -0.04 -1.26 -4.34 135.00 142.64 1cw3 n PRO 464 Ca -0.17 0.26 -0.14 0.00 -0.04 0.00 0.00 63.50 63.41 1cw3 n PRO 464 Cb 0.52 -2.28 -0.14 0.00 -0.04 0.00 0.00 33.50 31.56 1cw3 n PRO 464 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1cw3 s PHE 465 N -1.77 -0.22 -0.02 0.54 5.36 0.12 -4.93 117.98 117.07 1cw3 s PHE 465 Ca 0.75 0.61 -0.25 0.00 -0.96 0.00 0.00 56.93 57.09 1cw3 s PHE 465 Cb -0.35 -0.09 0.08 0.00 -0.34 0.00 0.00 43.02 42.32 1cw3 s PHE 465 CO 0.49 -0.22 1.12 0.41 -1.46 0.00 0.00 175.22 175.55 1cw3 n GLY 466 N 4.55 0.27 3.51 13.12 0.00 -1.26 -0.69 105.19 124.68 1cw3 n GLY 466 Ca -0.20 -1.02 -0.24 0.00 0.00 0.00 0.00 46.02 44.56 1cw3 n GLY 466 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1cw3 s GLY 467 N -3.70 1.81 0.16 -0.02 0.00 -1.26 -3.89 107.32 100.42 1cw3 s GLY 467 Ca 0.26 -1.79 0.02 0.00 0.00 0.00 0.00 44.72 43.20 1cw3 s GLY 467 CO -0.01 -1.87 0.31 -0.19 0.00 0.00 0.00 173.10 171.34 1cw3 s TYR 468 N -2.37 3.49 0.00 1.90 1.51 0.27 -4.31 117.35 117.83 1cw3 s TYR 468 Ca 0.29 0.18 0.00 0.00 -1.01 0.00 0.00 57.07 56.53 1cw3 s TYR 468 Cb -0.06 -1.72 0.00 0.00 -0.11 0.00 0.00 41.96 40.08 1cw3 s TYR 468 CO 0.16 0.48 0.00 1.63 -1.11 0.00 0.00 175.55 176.71 1cw3 n LYS 469 N -0.55 0.00 -0.15 -0.62 5.02 -1.26 -2.42 118.16 118.17 1cw3 n LYS 469 Ca -0.06 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.25 1cw3 n LYS 469 Cb 0.54 0.00 0.08 0.00 -0.02 0.00 0.00 35.03 35.63 1cw3 n LYS 469 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1cw3 n MET 470 N 14.00 1.68 0.00 1.97 2.81 -0.48 -3.39 117.12 133.70 1cw3 n MET 470 Ca 0.00 -0.66 0.14 0.00 -1.81 0.00 0.00 57.70 55.37 1cw3 n MET 470 Cb 0.00 -1.46 0.46 0.00 -0.71 0.00 0.00 33.22 31.51 1cw3 n MET 470 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1cw3 n SER 471 N 0.08 1.74 0.00 7.83 7.64 -1.01 -4.64 113.62 125.26 1cw3 n SER 471 Ca 0.06 -1.58 0.00 0.00 1.01 0.00 0.00 58.87 58.36 1cw3 n SER 471 Cb 0.33 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.53 1cw3 n SER 471 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1cw3 n GLY 472 N 1.20 0.88 3.43 0.23 0.00 -1.22 -1.17 105.19 108.55 1cw3 n GLY 472 Ca 0.18 -1.89 -0.13 0.00 0.00 0.00 0.00 46.02 44.18 1cw3 n GLY 472 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cw3 s SER 473 N -2.73 -0.58 0.00 1.61 1.04 -0.60 -4.52 113.70 107.93 1cw3 s SER 473 Ca 0.00 1.09 0.00 0.00 0.48 0.00 0.00 55.95 57.52 1cw3 s SER 473 Cb 0.00 1.08 0.00 0.00 0.10 0.00 0.00 66.02 67.20 1cw3 s SER 473 CO 0.00 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.64 1cw3 n GLY 474 N 3.02 -0.90 3.26 7.32 0.00 -1.26 -1.82 105.19 114.81 1cw3 n GLY 474 Ca -0.15 -1.65 -0.19 0.00 0.00 0.00 0.00 46.02 44.04 1cw3 n GLY 474 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cw3 s ARG 475 N -2.24 1.09 0.21 1.61 1.81 -1.26 -4.39 118.95 115.78 1cw3 s ARG 475 Ca 0.00 -1.29 0.11 0.00 -1.72 0.00 0.00 55.73 52.83 1cw3 s ARG 475 Cb 0.00 -1.01 -0.05 0.00 -0.45 0.00 0.00 34.95 33.45 1cw3 s ARG 475 CO 0.00 0.20 -0.21 -1.21 -0.68 0.00 0.00 175.30 173.40 1cw3 s GLU 476 N -2.72 1.48 0.09 3.54 2.02 0.13 -4.04 118.70 119.20 1cw3 s GLU 476 Ca 0.11 -1.57 0.00 0.00 0.02 0.00 0.00 54.97 53.53 1cw3 s GLU 476 Cb -0.05 -1.64 0.00 0.00 0.10 0.00 0.00 34.13 32.54 1cw3 s GLU 476 CO 0.04 0.33 0.00 1.28 0.02 0.00 0.00 175.26 176.93 1cw3 n LEU 477 N -0.01 -0.16 0.00 1.80 4.77 -1.26 0.13 117.00 122.26 1cw3 n LEU 477 Ca -0.10 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 1cw3 n LEU 477 Cb 0.58 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1cw3 n LEU 477 CO 0.32 -0.44 0.00 0.61 -1.33 0.00 0.00 177.39 176.55 1cw3 n GLY 478 N -2.64 -0.44 0.15 -0.72 0.00 0.13 -1.37 105.19 100.30 1cw3 n GLY 478 Ca -0.01 -0.98 -0.01 0.00 0.00 0.00 0.00 46.02 45.02 1cw3 n GLY 478 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1cw3 h GLU 479 N 0.00 0.00 -0.43 1.61 4.81 -1.88 -3.01 114.58 115.67 1cw3 h GLU 479 Ca 0.00 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1cw3 h GLU 479 Cb 0.00 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1cw3 h GLU 479 CO 0.00 0.57 0.29 1.88 -0.73 0.00 0.00 179.01 181.02 1cw3 h TYR 480 N 0.00 0.53 0.00 0.92 -1.99 -1.93 -2.18 116.97 112.32 1cw3 h TYR 480 Ca -0.01 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.74 1cw3 h TYR 480 Cb 1.02 -0.18 0.00 0.00 2.00 0.00 0.00 36.73 39.57 1cw3 h TYR 480 CO 0.00 0.33 0.00 0.41 -0.00 0.00 0.00 178.16 178.90 1cw3 n GLY 481 N -1.47 -0.50 0.01 3.88 0.00 -0.47 -1.96 105.19 104.67 1cw3 n GLY 481 Ca 0.04 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.14 1cw3 n GLY 481 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1cw3 n LEU 482 N -1.36 0.36 -0.17 0.99 4.77 -0.82 -4.50 117.00 116.28 1cw3 n LEU 482 Ca 0.02 -0.12 -0.05 0.00 -0.03 0.00 0.00 56.01 55.83 1cw3 n LEU 482 Cb 0.04 -0.01 0.05 0.00 -2.33 0.00 0.00 43.42 41.16 1cw3 n LEU 482 CO 0.04 0.06 1.03 1.56 -1.33 0.00 0.00 177.39 178.75 1cw3 h GLN 483 N 0.00 0.51 0.00 3.23 4.20 -1.52 -2.72 115.11 118.81 1cw3 h GLN 483 Ca 0.00 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 1cw3 h GLN 483 Cb 0.84 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.51 1cw3 h GLN 483 CO 0.00 0.33 -0.05 0.00 -0.67 0.00 0.00 178.83 178.44 1cw3 h ALA 484 N 1.26 1.01 -0.63 3.87 0.00 -1.79 -3.00 119.26 119.98 1cw3 h ALA 484 Ca 0.22 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1cw3 h ALA 484 Cb 0.10 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 1cw3 h ALA 484 CO -0.14 0.06 0.10 0.66 0.00 0.00 0.00 179.25 179.94 1cw3 n TYR 485 N -3.17 2.21 -4.28 0.00 4.02 -1.03 -4.88 117.16 110.04 1cw3 n TYR 485 Ca 0.01 -0.89 -0.20 0.00 -0.01 0.00 0.00 57.90 56.81 1cw3 n TYR 485 Cb 0.34 -0.58 -0.16 0.00 -0.02 0.00 0.00 39.34 38.93 1cw3 n TYR 485 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1cw3 s THR 486 N -2.82 0.65 -0.13 -0.72 2.01 -1.14 -2.86 115.64 110.63 1cw3 s THR 486 Ca 0.54 -0.25 -0.02 0.00 0.31 0.00 0.00 61.69 62.27 1cw3 s THR 486 Cb 0.42 -0.61 -0.02 0.00 0.01 0.00 0.00 72.50 72.30 1cw3 s THR 486 CO 0.15 0.22 -0.08 -0.70 -0.69 0.00 0.00 174.62 173.52 1cw3 s GLU 487 N 0.43 3.45 -0.17 4.92 2.56 -0.06 -4.77 118.70 125.07 1cw3 s GLU 487 Ca -0.06 -0.58 -0.14 0.00 0.00 0.00 0.00 54.97 54.18 1cw3 s GLU 487 Cb -0.10 -2.77 -0.04 0.00 2.00 0.00 0.00 34.13 33.21 1cw3 s GLU 487 CO 0.00 0.28 0.32 0.08 -0.56 0.00 0.00 175.26 175.39 1cw3 s VAL 488 N 0.21 5.28 -0.20 3.70 1.01 -1.26 -1.25 120.40 127.89 1cw3 s VAL 488 Ca -0.05 0.60 0.01 0.00 0.00 0.00 0.00 61.98 62.54 1cw3 s VAL 488 Cb -0.14 -3.66 0.03 0.00 0.00 0.00 0.00 36.38 32.60 1cw3 s VAL 488 CO 0.04 0.36 -0.17 -0.75 0.00 0.00 0.00 175.10 174.57 1cw3 s LYS 489 N 0.67 2.87 -0.24 2.72 2.20 -0.54 -4.95 119.74 122.47 1cw3 s LYS 489 Ca 0.17 -0.92 -0.16 0.00 -0.36 0.00 0.00 55.97 54.70 1cw3 s LYS 489 Cb -0.13 -2.66 -0.03 0.00 -1.51 0.00 0.00 37.83 33.49 1cw3 s LYS 489 CO 0.05 -0.28 0.43 0.99 -0.36 0.00 0.00 175.35 176.18 1cw3 s THR 490 N 1.27 5.15 -0.24 3.43 2.01 -1.26 -0.16 115.64 125.84 1cw3 s THR 490 Ca 0.02 0.72 -0.03 0.00 0.31 0.00 0.00 61.69 62.72 1cw3 s THR 490 Cb -0.14 -3.75 0.01 0.00 0.01 0.00 0.00 72.50 68.63 1cw3 s THR 490 CO -0.11 0.17 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.25 1cw3 s VAL 491 N 1.86 3.10 -0.34 3.82 1.01 0.41 -4.98 120.40 125.28 1cw3 s VAL 491 Ca 0.19 -0.82 -0.03 0.00 0.00 0.00 0.00 61.98 61.32 1cw3 s VAL 491 Cb -0.15 -2.51 0.06 0.00 0.00 0.00 0.00 36.38 33.78 1cw3 s VAL 491 CO 0.09 0.28 0.07 -0.89 0.00 0.00 0.00 175.10 174.65 1cw3 s THR 492 N 1.39 3.22 -0.18 3.92 2.01 -1.26 -1.76 115.64 122.97 1cw3 s THR 492 Ca 0.03 -1.52 -0.08 0.00 0.31 0.00 0.00 61.69 60.42 1cw3 s THR 492 Cb -0.16 -2.94 -0.04 0.00 0.01 0.00 0.00 72.50 69.36 1cw3 s THR 492 CO -0.04 -0.28 0.10 -0.69 -0.69 0.00 0.00 174.62 173.02 1cw3 s VAL 493 N 1.25 5.14 0.17 3.82 1.01 0.34 -4.91 120.40 127.21 1cw3 s VAL 493 Ca -0.01 0.09 -0.30 0.00 0.00 0.00 0.00 61.98 61.76 1cw3 s VAL 493 Cb -0.20 -3.32 -0.08 0.00 0.00 0.00 0.00 36.38 32.78 1cw3 s VAL 493 CO -0.01 0.47 1.25 -0.75 0.00 0.00 0.00 175.10 176.06 1cw3 s LYS 494 N 0.21 4.44 0.16 2.72 2.20 -1.26 0.23 119.74 128.44 1cw3 s LYS 494 Ca 0.07 1.94 0.10 0.00 -0.36 0.00 0.00 55.97 57.72 1cw3 s LYS 494 Cb -0.12 -3.24 -0.04 0.00 -1.51 0.00 0.00 37.83 32.93 1cw3 s LYS 494 CO -0.01 -0.19 -0.22 0.14 -0.36 0.00 0.00 175.35 174.71 1cw3 s VAL 495 N 0.20 2.09 0.19 4.02 -7.23 -0.64 -4.85 120.40 114.18 1cw3 s VAL 495 Ca 0.56 -1.90 -0.13 0.00 -1.81 0.00 0.00 61.98 58.69 1cw3 s VAL 495 Cb -0.34 -1.95 0.14 0.00 0.56 0.00 0.00 36.38 34.80 1cw3 s VAL 495 CO 0.36 -0.14 1.68 -0.65 -0.31 0.00 0.00 175.10 176.03 1cw3 h PRO 496 N 3.42 0.10 -1.36 4.82 0.11 -1.96 -3.42 132.00 133.70 1cw3 h PRO 496 Ca -0.46 -0.01 0.11 0.00 0.11 0.00 0.00 66.00 65.75 1cw3 h PRO 496 Cb 1.20 -0.02 -0.21 0.00 0.11 0.00 0.00 31.00 32.08 1cw3 h PRO 496 CO 0.47 0.06 -0.13 -1.14 -0.21 0.00 0.00 178.00 177.05 1cw3 s GLN 497 N -6.17 0.52 0.29 1.05 0.74 -1.26 -5.03 119.66 109.80 1cw3 s GLN 497 Ca -0.14 1.12 -0.28 0.00 0.05 0.00 0.00 55.36 56.11 1cw3 s GLN 497 Cb 0.17 0.65 -0.09 0.00 1.10 0.00 0.00 33.01 34.83 1cw3 s GLN 497 CO 0.72 -0.36 1.01 0.21 -0.55 0.00 0.00 175.29 176.32 1cw3 s LYS 498 N 2.84 4.63 0.02 1.67 2.20 -1.26 -5.05 119.74 124.80 1cw3 s LYS 498 Ca 0.06 1.55 -0.04 0.00 -0.36 0.00 0.00 55.97 57.19 1cw3 s LYS 498 Cb -0.13 -3.04 -0.01 0.00 -1.51 0.00 0.00 37.83 33.14 1cw3 s LYS 498 CO -0.19 0.28 0.06 -0.80 -0.36 0.00 0.00 175.35 174.33 1cw3 s ASN 499 N -1.24 0.18 0.00 1.43 0.01 -1.26 -4.99 114.94 109.08 1cw3 s ASN 499 Ca 0.46 -0.48 0.02 0.00 -0.71 0.00 0.00 52.86 52.16 1cw3 s ASN 499 Cb -0.26 0.18 0.12 0.00 0.41 0.00 0.00 41.25 41.70 1cw3 s ASN 499 CO 0.32 -0.41 0.61 -1.54 -1.51 0.00 0.00 177.10 174.57