#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mwa s ALA 2 N 0.00 3.22 0.00 0.62 0.00 -1.26 -4.79 121.76 119.55 1mwa s ALA 2 Ca 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 51.96 50.68 1mwa s ALA 2 Cb 0.00 -2.25 0.00 0.00 0.00 0.00 0.00 23.12 20.87 1mwa s ALA 2 CO 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 175.76 175.03 1mwa n ALA 3 N 4.95 0.00 -3.75 0.00 0.00 -1.25 -4.80 120.51 115.65 1mwa n ALA 3 Ca -0.15 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.01 1mwa n ALA 3 Cb 0.50 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.79 1mwa n ALA 3 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1mwa s VAL 4 N -2.13 0.71 0.33 0.00 1.01 -1.11 -2.18 120.40 117.02 1mwa s VAL 4 Ca 0.00 -0.84 -0.29 0.00 0.00 0.00 0.00 61.98 60.85 1mwa s VAL 4 Cb 0.00 -1.27 -0.10 0.00 0.00 0.00 0.00 36.38 35.01 1mwa s VAL 4 CO 0.00 -0.32 1.26 -0.89 0.00 0.00 0.00 175.10 175.14 1mwa s THR 5 N 1.75 2.90 -0.03 3.92 2.01 -1.24 -1.62 115.64 123.32 1mwa s THR 5 Ca 0.01 0.89 0.06 0.00 0.31 0.00 0.00 61.69 62.96 1mwa s THR 5 Cb -0.17 -3.56 -0.02 0.00 0.01 0.00 0.00 72.50 68.75 1mwa s THR 5 CO -0.13 0.20 -0.20 -1.10 -0.69 0.00 0.00 174.62 172.70 1mwa s GLN 6 N -1.76 2.30 -0.30 4.92 -1.52 -1.26 -2.19 119.66 119.85 1mwa s GLN 6 Ca 0.49 -0.82 -0.16 0.00 -1.95 0.00 0.00 55.36 52.92 1mwa s GLN 6 Cb -0.38 -2.20 0.17 0.00 -0.22 0.00 0.00 33.01 30.38 1mwa s GLN 6 CO 0.50 0.59 1.05 -1.12 -0.25 0.00 0.00 175.29 176.05 1mwa s SER 7 N -0.66 -0.47 -0.19 5.90 0.01 -1.24 -4.47 113.70 112.58 1mwa s SER 7 Ca 0.10 0.63 -0.20 0.00 1.31 0.00 0.00 55.95 57.79 1mwa s SER 7 Cb -0.10 1.53 -0.03 0.00 0.21 0.00 0.00 66.02 67.63 1mwa s SER 7 CO -0.00 -0.09 0.60 -2.16 0.41 0.00 0.00 173.24 172.00 1mwa s PRO 8 N 2.40 4.23 0.00 12.44 0.04 -1.26 -0.14 135.00 152.70 1mwa s PRO 8 Ca -0.02 0.58 0.01 0.00 0.04 0.00 0.00 61.00 61.61 1mwa s PRO 8 Cb -0.05 -3.56 0.03 0.00 0.04 0.00 0.00 34.50 30.96 1mwa s PRO 8 CO -0.17 -0.18 0.71 0.54 0.04 0.00 0.00 177.00 177.94 1mwa n ARG 9 N 4.83 0.01 -3.65 4.56 1.74 -1.26 -4.44 116.66 118.45 1mwa n ARG 9 Ca -0.02 0.18 -0.02 0.00 -0.77 0.00 0.00 57.85 57.21 1mwa n ARG 9 Cb 0.50 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.38 1mwa n ARG 9 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1mwa s ASN 10 N -2.36 -0.39 -0.16 0.55 2.20 -1.26 -4.09 114.94 109.43 1mwa s ASN 10 Ca 0.01 0.64 -0.23 0.00 -0.94 0.00 0.00 52.86 52.34 1mwa s ASN 10 Cb 0.00 1.10 0.06 0.00 -2.00 0.00 0.00 41.25 40.41 1mwa s ASN 10 CO 0.01 -0.10 0.59 -0.75 -2.94 0.00 0.00 177.10 173.91 1mwa s LYS 11 N 1.14 0.79 -0.85 3.55 2.47 -1.24 -5.00 119.74 120.59 1mwa s LYS 11 Ca -0.07 0.58 -0.02 0.00 -1.56 0.00 0.00 55.97 54.90 1mwa s LYS 11 Cb -0.03 0.38 0.21 0.00 -1.46 0.00 0.00 37.83 36.92 1mwa s LYS 11 CO -0.13 -0.16 0.73 0.08 0.16 0.00 0.00 175.35 176.03 1mwa s VAL 12 N -0.24 4.25 0.00 4.02 1.01 -1.26 -2.83 120.40 125.35 1mwa s VAL 12 Ca -0.04 -3.74 0.00 0.00 0.00 0.00 0.00 61.98 58.20 1mwa s VAL 12 Cb -0.03 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.69 1mwa s VAL 12 CO 0.04 -1.06 0.00 0.00 0.00 0.00 0.00 175.10 174.08 1mwa n ALA 13 N 2.50 0.00 -2.56 5.51 0.00 -1.25 -4.96 120.51 119.75 1mwa n ALA 13 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.34 1mwa n ALA 13 Cb 0.37 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.79 1mwa n ALA 13 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1mwa s VAL 14 N -0.70 1.38 -1.46 0.00 1.01 -1.26 -4.51 120.40 114.86 1mwa s VAL 14 Ca 0.00 -1.71 0.01 0.00 0.00 0.00 0.00 61.98 60.28 1mwa s VAL 14 Cb 0.00 -2.09 0.04 0.00 0.00 0.00 0.00 36.38 34.33 1mwa s VAL 14 CO 0.00 0.00 0.79 0.41 0.00 0.00 0.00 175.10 176.30 1mwa n THR 15 N -1.57 0.11 -0.33 3.92 -1.04 -1.23 -3.71 114.28 110.43 1mwa n THR 15 Ca -0.10 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 1mwa n THR 15 Cb 0.65 -0.24 0.00 0.00 -1.82 0.00 0.00 70.33 68.93 1mwa n THR 15 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1mwa n GLY 16 N 0.29 0.33 3.67 3.41 0.00 -1.26 -3.80 105.19 107.84 1mwa n GLY 16 Ca 0.01 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.57 1mwa n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mwa n GLY 17 N 0.00 1.22 3.72 -0.02 0.00 -1.13 -2.46 105.19 106.51 1mwa n GLY 17 Ca 0.00 0.73 -0.43 0.00 0.00 0.00 0.00 46.02 46.32 1mwa n GLY 17 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1mwa n LYS 18 N 4.49 2.34 -3.59 1.61 4.81 -1.25 -4.36 118.16 122.21 1mwa n LYS 18 Ca 0.19 0.83 -0.13 0.00 -0.87 0.00 0.00 58.31 58.32 1mwa n LYS 18 Cb 0.29 -2.50 -0.12 0.00 0.02 0.00 0.00 35.03 32.72 1mwa n LYS 18 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1mwa s VAL 19 N -0.64 -0.46 -0.23 3.15 1.01 -1.20 -4.92 120.40 117.11 1mwa s VAL 19 Ca 0.60 0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.74 1mwa s VAL 19 Cb -0.55 -0.56 0.04 0.00 0.00 0.00 0.00 36.38 35.30 1mwa s VAL 19 CO 0.57 0.02 -0.14 -0.89 0.00 0.00 0.00 175.10 174.67 1mwa s THR 20 N 2.45 2.26 -0.52 3.92 2.01 -1.26 -2.32 115.64 122.17 1mwa s THR 20 Ca 0.03 -1.25 -0.29 0.00 0.31 0.00 0.00 61.69 60.50 1mwa s THR 20 Cb -0.13 -2.15 0.03 0.00 0.01 0.00 0.00 72.50 70.26 1mwa s THR 20 CO -0.11 0.24 1.15 -0.76 -0.69 0.00 0.00 174.62 174.46 1mwa s LEU 21 N 1.22 3.57 -1.25 4.42 1.43 -1.07 -4.75 118.68 122.25 1mwa s LEU 21 Ca -0.02 0.29 -0.20 0.00 -1.03 0.00 0.00 54.13 53.18 1mwa s LEU 21 Cb -0.17 -3.37 0.00 0.00 0.03 0.00 0.00 46.19 42.69 1mwa s LEU 21 CO -0.08 -1.35 1.83 -1.20 0.23 0.00 0.00 176.35 175.78 1mwa n SER 22 N 8.08 4.14 -4.56 2.29 7.64 0.80 -3.31 113.62 128.71 1mwa n SER 22 Ca 0.10 -2.83 -0.43 0.00 1.01 0.00 0.00 58.87 56.73 1mwa n SER 22 Cb 0.49 -1.73 -0.05 0.00 -1.01 0.00 0.00 64.21 61.90 1mwa n SER 22 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1mwa n ASN 24 N 6.64 0.02 -3.68 0.00 4.13 -0.93 -2.10 115.26 119.34 1mwa n ASN 24 Ca 0.03 -0.72 -0.01 0.00 1.68 0.00 0.00 54.58 55.55 1mwa n ASN 24 Cb 0.48 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.71 1mwa n ASN 24 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1mwa s GLN 25 N -0.60 0.86 -0.37 3.52 -2.07 -1.26 -3.66 119.66 116.07 1mwa s GLN 25 Ca 0.00 -0.48 0.10 0.00 -1.82 0.00 0.00 55.36 53.16 1mwa s GLN 25 Cb 0.00 0.29 0.39 0.00 -1.09 0.00 0.00 33.01 32.59 1mwa s GLN 25 CO 0.00 -0.39 1.41 0.25 -1.32 0.00 0.00 175.29 175.24 1mwa n THR 26 N -0.50 0.00 -0.32 3.63 -2.24 -0.93 -4.91 114.28 109.02 1mwa n THR 26 Ca -0.07 -1.30 0.00 0.00 -2.27 0.00 0.00 64.05 60.42 1mwa n THR 26 Cb 0.61 0.99 0.00 0.00 -2.10 0.00 0.00 70.33 69.83 1mwa n THR 26 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1mwa n ASN 27 N -0.92 0.37 -0.23 3.42 0.23 -1.26 -4.18 115.26 112.69 1mwa n ASN 27 Ca -0.09 -0.77 -0.03 0.00 -0.53 0.00 0.00 54.58 53.16 1mwa n ASN 27 Cb 0.85 0.17 -0.01 0.00 -2.08 0.00 0.00 39.78 38.71 1mwa n ASN 27 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1mwa n ASN 28 N -0.17 -3.71 -4.75 0.53 4.13 -1.26 -5.01 115.26 105.03 1mwa n ASN 28 Ca 0.00 0.07 -0.39 0.00 1.68 0.00 0.00 54.58 55.94 1mwa n ASN 28 Cb 0.08 -1.47 -0.05 0.00 -1.54 0.00 0.00 39.78 36.80 1mwa n ASN 28 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 1mwa s HIS 29 N -1.99 3.71 -0.87 3.10 3.76 -1.26 -4.95 115.29 116.79 1mwa s HIS 29 Ca 0.00 1.35 0.27 0.00 -0.15 0.00 0.00 55.06 56.52 1mwa s HIS 29 Cb 0.00 -2.72 0.82 0.00 1.11 0.00 0.00 32.58 31.78 1mwa s HIS 29 CO 0.00 0.31 1.67 0.09 -0.85 0.00 0.00 174.74 175.96 1mwa n ASN 30 N 2.78 0.44 -4.61 1.40 4.13 -1.23 -4.82 115.26 113.34 1mwa n ASN 30 Ca -0.04 0.30 -0.34 0.00 1.68 0.00 0.00 54.58 56.17 1mwa n ASN 30 Cb 0.51 -0.30 -0.10 0.00 -1.54 0.00 0.00 39.78 38.34 1mwa n ASN 30 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 1mwa s ASN 31 N -3.62 5.24 -0.08 6.41 0.02 -0.79 0.17 114.94 122.29 1mwa s ASN 31 Ca 0.11 0.04 -0.11 0.00 -1.02 0.00 0.00 52.86 51.88 1mwa s ASN 31 Cb 0.16 -1.75 0.03 0.00 0.02 0.00 0.00 41.25 39.71 1mwa s ASN 31 CO 0.62 0.24 0.29 -0.04 0.02 0.00 0.00 177.10 178.23 1mwa s MET 32 N -0.07 0.44 0.14 -0.60 -1.94 -1.25 -1.69 119.30 114.32 1mwa s MET 32 Ca 0.04 0.22 -0.03 0.00 -1.71 0.00 0.00 55.69 54.21 1mwa s MET 32 Cb -0.13 0.20 -0.03 0.00 2.01 0.00 0.00 34.83 36.89 1mwa s MET 32 CO 0.02 -0.08 0.13 0.71 -0.01 0.00 0.00 175.02 175.79 1mwa s TYR 33 N -0.29 0.73 -0.04 -0.03 1.51 -0.42 -1.49 117.35 117.33 1mwa s TYR 33 Ca -0.04 -1.10 0.04 0.00 -1.01 0.00 0.00 57.07 54.96 1mwa s TYR 33 Cb -0.03 -0.35 -0.00 0.00 -0.11 0.00 0.00 41.96 41.46 1mwa s TYR 33 CO 0.01 -0.59 -0.18 -1.58 -1.11 0.00 0.00 175.55 172.11 1mwa s TRP 34 N -4.03 1.76 0.33 2.71 0.23 -0.53 0.78 118.94 120.19 1mwa s TRP 34 Ca 0.23 -0.50 0.03 0.00 -2.03 0.00 0.00 56.10 53.83 1mwa s TRP 34 Cb 0.06 -1.18 -0.05 0.00 0.03 0.00 0.00 33.47 32.33 1mwa s TRP 34 CO 0.02 -0.16 0.08 0.71 0.96 0.00 0.00 176.95 178.55 1mwa s TYR 35 N 0.00 1.86 -0.41 -1.98 1.51 0.38 0.35 117.35 119.06 1mwa s TYR 35 Ca -0.03 -1.06 0.07 0.00 -1.01 0.00 0.00 57.07 55.04 1mwa s TYR 35 Cb -0.11 -1.20 0.24 0.00 -0.11 0.00 0.00 41.96 40.77 1mwa s TYR 35 CO 0.02 -0.11 0.51 -2.13 -1.11 0.00 0.00 175.55 172.73 1mwa n ARG 36 N -0.71 0.75 -2.33 -0.62 0.63 0.38 -2.08 116.66 112.69 1mwa n ARG 36 Ca -0.03 -3.31 -0.41 0.00 -0.92 0.00 0.00 57.85 53.19 1mwa n ARG 36 Cb 0.66 -1.34 -0.03 0.00 0.45 0.00 0.00 32.46 32.20 1mwa n ARG 36 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 1mwa s GLN 37 N -1.09 4.49 0.07 -0.14 -0.44 -0.06 -3.27 119.66 119.23 1mwa s GLN 37 Ca 0.35 1.94 -0.26 0.00 -2.50 0.00 0.00 55.36 54.89 1mwa s GLN 37 Cb 0.15 -3.19 0.09 0.00 -1.64 0.00 0.00 33.01 28.42 1mwa s GLN 37 CO -0.12 -0.05 1.16 0.34 0.50 0.00 0.00 175.29 177.12 1mwa s ASP 38 N -0.20 -0.03 -0.53 6.67 2.15 0.16 -3.36 116.67 121.54 1mwa s ASP 38 Ca 0.51 -0.38 -0.27 0.00 0.43 0.00 0.00 52.55 52.84 1mwa s ASP 38 Cb -0.34 0.32 -0.04 0.00 -0.30 0.00 0.00 42.92 42.55 1mwa s ASP 38 CO 0.41 -0.61 2.06 -0.89 -0.17 0.00 0.00 175.17 175.97 1mwa s THR 39 N -2.32 3.23 0.00 1.71 2.01 -1.26 -0.77 115.64 118.24 1mwa s THR 39 Ca 0.21 0.15 0.00 0.00 0.31 0.00 0.00 61.69 62.37 1mwa s THR 39 Cb -0.00 -3.55 0.00 0.00 0.01 0.00 0.00 72.50 68.96 1mwa s THR 39 CO 0.01 -0.51 0.00 0.61 -0.69 0.00 0.00 174.62 174.04 1mwa n GLY 40 N 5.78 2.07 0.04 4.40 0.00 -1.26 -4.86 105.19 111.36 1mwa n GLY 40 Ca 0.27 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1mwa n GLY 40 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1mwa n HIS 41 N 0.00 0.01 -3.39 1.61 8.25 -1.23 -5.10 115.22 115.36 1mwa n HIS 41 Ca 0.00 -0.14 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 1mwa n HIS 41 Cb 0.00 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.10 1mwa n HIS 41 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1mwa n GLY 42 N -0.08 1.92 3.69 -1.41 0.00 0.05 -4.66 105.19 104.69 1mwa n GLY 42 Ca 0.01 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 1mwa n GLY 42 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1mwa s LEU 43 N 0.00 4.23 -0.03 0.99 2.96 -1.26 0.39 118.68 125.96 1mwa s LEU 43 Ca 0.00 1.26 0.05 0.00 -0.22 0.00 0.00 54.13 55.22 1mwa s LEU 43 Cb 0.00 -3.26 -0.01 0.00 0.50 0.00 0.00 46.19 43.42 1mwa s LEU 43 CO 0.00 -0.33 -0.19 -0.13 -1.32 0.00 0.00 176.35 174.38 1mwa s ARG 44 N 1.73 1.81 0.39 1.98 3.00 -1.20 -4.83 118.95 121.82 1mwa s ARG 44 Ca 0.40 -0.69 -0.25 0.00 0.00 0.00 0.00 55.73 55.19 1mwa s ARG 44 Cb -0.17 -1.64 -0.09 0.00 0.00 0.00 0.00 34.95 33.05 1mwa s ARG 44 CO 0.16 0.34 1.12 -1.17 0.00 0.00 0.00 175.30 175.75 1mwa s LEU 45 N -0.21 4.21 0.00 2.53 2.96 -1.26 0.14 118.68 127.05 1mwa s LEU 45 Ca 0.01 2.23 0.00 0.00 -0.22 0.00 0.00 54.13 56.15 1mwa s LEU 45 Cb -0.10 -4.04 0.00 0.00 0.50 0.00 0.00 46.19 42.55 1mwa s LEU 45 CO 0.01 -0.56 0.00 -0.38 -1.32 0.00 0.00 176.35 174.10 1mwa n ILE 46 N 0.13 0.00 -4.08 6.68 2.08 1.08 -1.31 119.36 123.94 1mwa n ILE 46 Ca 0.04 0.08 -0.14 0.00 0.56 0.00 0.00 62.75 63.29 1mwa n ILE 46 Cb 0.47 -0.93 -0.12 0.00 -0.75 0.00 0.00 39.64 38.32 1mwa n ILE 46 CO 0.00 0.00 0.00 -1.00 0.56 0.00 0.00 176.55 176.11 1mwa s HIS 47 N -0.25 0.68 0.38 1.39 3.76 -1.25 -4.14 115.29 115.87 1mwa s HIS 47 Ca 0.00 -0.47 0.05 0.00 -0.15 0.00 0.00 55.06 54.49 1mwa s HIS 47 Cb 0.00 -0.41 -0.03 0.00 1.11 0.00 0.00 32.58 33.25 1mwa s HIS 47 CO 0.00 -0.07 0.17 1.52 -0.85 0.00 0.00 174.74 175.51 1mwa s TYR 48 N -1.28 1.76 0.12 1.40 -0.85 -0.44 -1.45 117.35 116.61 1mwa s TYR 48 Ca -0.09 -1.40 -0.03 0.00 -0.52 0.00 0.00 57.07 55.04 1mwa s TYR 48 Cb -0.09 -1.02 -0.03 0.00 0.38 0.00 0.00 41.96 41.19 1mwa s TYR 48 CO 0.00 -0.47 0.08 0.45 -1.52 0.00 0.00 175.55 174.09 1mwa s SER 49 N -3.53 0.29 -0.14 -0.18 0.15 -0.56 -0.58 113.70 109.14 1mwa s SER 49 Ca 0.29 -1.10 0.18 0.00 0.70 0.00 0.00 55.95 56.02 1mwa s SER 49 Cb 0.02 0.30 0.34 0.00 -1.71 0.00 0.00 66.02 64.98 1mwa s SER 49 CO 0.18 -0.73 1.20 -1.22 1.20 0.00 0.00 173.24 173.87 1mwa n TYR 50 N -0.08 0.18 0.00 3.44 4.02 -1.26 -4.01 117.16 119.46 1mwa n TYR 50 Ca -0.08 -0.99 0.00 0.00 -0.01 0.00 0.00 57.90 56.82 1mwa n TYR 50 Cb 0.63 -0.18 0.00 0.00 -0.02 0.00 0.00 39.34 39.77 1mwa n TYR 50 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1mwa n GLY 51 N -1.26 0.48 3.61 2.72 0.00 0.44 -4.77 105.19 106.40 1mwa n GLY 51 Ca 0.17 -1.38 -0.43 0.00 0.00 0.00 0.00 46.02 44.38 1mwa n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mwa s ALA 52 N -1.07 3.16 -0.29 4.61 0.00 -1.26 -4.25 121.76 122.66 1mwa s ALA 52 Ca 0.00 0.01 -0.09 0.00 0.00 0.00 0.00 51.96 51.87 1mwa s ALA 52 Cb 0.00 -3.88 0.01 0.00 0.00 0.00 0.00 23.12 19.25 1mwa s ALA 52 CO 0.00 -2.17 0.38 0.41 0.00 0.00 0.00 175.76 174.38 1mwa n GLY 53 N 4.82 -1.06 3.59 0.00 0.00 -1.25 -4.97 105.19 106.32 1mwa n GLY 53 Ca 0.16 0.70 -0.12 0.00 0.00 0.00 0.00 46.02 46.76 1mwa n GLY 53 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1mwa s SER 54 N -2.06 -0.52 -0.21 1.61 0.15 -1.26 -5.00 113.70 106.41 1mwa s SER 54 Ca 0.14 0.81 -0.04 0.00 0.70 0.00 0.00 55.95 57.56 1mwa s SER 54 Cb -0.04 0.75 0.11 0.00 -1.71 0.00 0.00 66.02 65.13 1mwa s SER 54 CO 0.48 -0.32 0.35 -0.89 1.20 0.00 0.00 173.24 174.06 1mwa s THR 55 N -0.43 -0.56 0.18 6.45 2.01 -1.25 -4.33 115.64 117.71 1mwa s THR 55 Ca -0.02 0.05 0.08 0.00 0.31 0.00 0.00 61.69 62.12 1mwa s THR 55 Cb -0.03 -0.70 -0.04 0.00 0.01 0.00 0.00 72.50 71.74 1mwa s THR 55 CO 0.01 -0.04 -0.17 -1.61 -0.69 0.00 0.00 174.62 172.12 1mwa s GLU 56 N 2.52 1.29 0.06 4.92 8.01 0.25 -4.96 118.70 130.79 1mwa s GLU 56 Ca 0.06 -1.45 -0.02 0.00 0.01 0.00 0.00 54.97 53.57 1mwa s GLU 56 Cb -0.14 -1.27 -0.04 0.00 -4.31 0.00 0.00 34.13 28.37 1mwa s GLU 56 CO -0.13 0.25 0.24 0.15 0.01 0.00 0.00 175.26 175.77 1mwa s LYS 57 N -3.01 3.48 0.00 1.61 1.02 -1.26 -1.32 119.74 120.25 1mwa s LYS 57 Ca 0.17 -0.33 0.00 0.00 0.02 0.00 0.00 55.97 55.83 1mwa s LYS 57 Cb -0.04 -3.02 0.00 0.00 -0.52 0.00 0.00 37.83 34.25 1mwa s LYS 57 CO 0.07 0.60 0.00 0.41 -0.92 0.00 0.00 175.35 175.51 1mwa n GLY 58 N 0.42 0.00 0.00 -3.33 0.00 -1.26 -4.97 105.19 96.05 1mwa n GLY 58 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1mwa n GLY 58 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1mwa n ASP 59 N -0.12 0.00 -4.30 1.61 2.03 -1.26 -5.05 116.55 109.46 1mwa n ASP 59 Ca 0.00 0.00 -0.45 0.00 0.52 0.00 0.00 54.79 54.86 1mwa n ASP 59 Cb 0.00 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.35 1mwa n ASP 59 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1mwa s ILE 60 N 0.00 5.18 0.00 5.18 1.01 -0.43 -4.95 121.20 127.19 1mwa s ILE 60 Ca 0.00 -1.93 0.00 0.00 0.00 0.00 0.00 60.65 58.72 1mwa s ILE 60 Cb 0.00 -4.29 0.00 0.00 0.01 0.00 0.00 42.46 38.18 1mwa s ILE 60 CO 0.00 -0.92 0.00 -0.81 0.00 0.00 0.00 174.94 173.21 1mwa n PRO 61 N 4.70 0.00 -1.12 2.79 -0.04 -1.26 -4.54 135.00 135.52 1mwa n PRO 61 Ca -0.03 0.37 -0.41 0.00 -0.04 0.00 0.00 63.50 63.39 1mwa n PRO 61 Cb 0.42 -0.86 -0.04 0.00 -0.04 0.00 0.00 33.50 32.98 1mwa n PRO 61 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1mwa n ASP 62 N -2.02 -0.51 0.00 3.54 10.43 -1.26 -1.82 116.55 124.91 1mwa n ASP 62 Ca 0.00 0.89 0.00 0.00 2.57 0.00 0.00 54.79 58.25 1mwa n ASP 62 Cb 0.00 -0.73 0.00 0.00 1.84 0.00 0.00 41.12 42.23 1mwa n ASP 62 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1mwa n GLY 63 N 1.37 2.89 3.68 0.44 0.00 -1.26 -5.01 105.19 107.30 1mwa n GLY 63 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 1mwa n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1mwa s TYR 65 N -1.70 2.47 -0.23 1.61 1.51 -0.76 -4.88 117.35 115.38 1mwa s TYR 65 Ca 0.00 -0.67 -0.19 0.00 -1.01 0.00 0.00 57.07 55.20 1mwa s TYR 65 Cb 0.00 -1.84 0.06 0.00 -0.11 0.00 0.00 41.96 40.07 1mwa s TYR 65 CO 0.00 0.31 0.59 0.21 -1.11 0.00 0.00 175.55 175.55 1mwa s LYS 66 N -3.81 0.67 0.44 -0.62 2.20 -0.64 -4.99 119.74 112.99 1mwa s LYS 66 Ca 0.35 0.87 0.01 0.00 -0.36 0.00 0.00 55.97 56.84 1mwa s LYS 66 Cb 0.07 0.28 0.01 0.00 -1.51 0.00 0.00 37.83 36.68 1mwa s LYS 66 CO 0.19 -0.10 0.08 0.00 -0.36 0.00 0.00 175.35 175.16 1mwa n ALA 67 N 3.07 0.45 -3.58 3.13 0.00 -1.26 0.16 120.51 122.49 1mwa n ALA 67 Ca -0.15 -1.92 -0.01 0.00 0.00 0.00 0.00 53.44 51.35 1mwa n ALA 67 Cb 0.56 0.99 -0.06 0.00 0.00 0.00 0.00 19.45 20.94 1mwa n ALA 67 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1mwa s SER 68 N -3.46 -0.52 -0.94 0.00 1.04 -0.87 -4.73 113.70 104.22 1mwa s SER 68 Ca 0.06 0.79 -0.11 0.00 0.48 0.00 0.00 55.95 57.17 1mwa s SER 68 Cb -0.01 1.34 0.24 0.00 0.10 0.00 0.00 66.02 67.70 1mwa s SER 68 CO 0.04 -0.12 0.90 -0.60 0.98 0.00 0.00 173.24 174.44 1mwa s ARG 69 N 1.66 3.82 0.00 4.02 6.06 -1.26 -2.47 118.95 130.78 1mwa s ARG 69 Ca -0.07 -2.81 0.19 0.00 -2.50 0.00 0.00 55.73 50.54 1mwa s ARG 69 Cb -0.04 -4.45 1.05 0.00 0.06 0.00 0.00 34.95 31.57 1mwa s ARG 69 CO -0.16 -1.27 1.57 -2.30 -2.50 0.00 0.00 175.30 170.65 1mwa n PRO 70 N 3.37 0.43 0.00 5.12 -0.02 -1.26 -3.96 135.00 138.67 1mwa n PRO 70 Ca 0.18 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 1mwa n PRO 70 Cb 0.43 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.41 1mwa n PRO 70 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1mwa n SER 71 N -1.16 0.00 0.15 2.55 3.41 -1.26 -4.92 113.62 112.39 1mwa n SER 71 Ca 0.12 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.86 1mwa n SER 71 Cb 0.11 0.00 0.47 0.00 -0.26 0.00 0.00 64.21 64.54 1mwa n SER 71 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1mwa h GLN 72 N 0.00 0.00 -1.03 4.33 5.75 -1.91 -2.44 115.11 119.80 1mwa h GLN 72 Ca 0.00 0.00 -0.62 0.00 -0.15 0.00 0.00 58.65 57.88 1mwa h GLN 72 Cb 0.00 0.00 -0.28 0.00 1.07 0.00 0.00 27.48 28.27 1mwa h GLN 72 CO 0.00 0.00 0.80 0.39 -2.65 0.00 0.00 178.83 177.37 1mwa n GLU 73 N -2.44 2.53 -3.93 1.69 -0.58 -1.26 -4.87 120.64 111.78 1mwa n GLU 73 Ca 0.03 -3.11 0.03 0.00 -0.42 0.00 0.00 57.16 53.70 1mwa n GLU 73 Cb 0.32 -2.22 0.01 0.00 -0.57 0.00 0.00 31.44 28.98 1mwa n GLU 73 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 1mwa s ASN 74 N -1.58 -0.00 0.00 1.62 0.02 -0.92 -4.70 114.94 109.37 1mwa s ASN 74 Ca 0.61 -0.11 0.00 0.00 -1.02 0.00 0.00 52.86 52.34 1mwa s ASN 74 Cb 0.48 0.08 0.00 0.00 0.02 0.00 0.00 41.25 41.84 1mwa s ASN 74 CO 0.02 -0.16 0.00 0.33 0.02 0.00 0.00 177.10 177.31 1mwa n PHE 75 N -0.86 0.00 -4.91 2.20 7.35 -0.89 -4.55 117.46 115.80 1mwa n PHE 75 Ca 0.02 0.00 -0.27 0.00 -0.76 0.00 0.00 57.45 56.44 1mwa n PHE 75 Cb 0.59 0.00 -0.16 0.00 0.35 0.00 0.00 39.48 40.26 1mwa n PHE 75 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 1mwa s SER 76 N 0.00 2.32 -0.27 -2.13 0.01 -1.03 -2.74 113.70 109.86 1mwa s SER 76 Ca 0.00 -0.38 -0.11 0.00 1.31 0.00 0.00 55.95 56.77 1mwa s SER 76 Cb 0.00 -0.64 -0.05 0.00 0.21 0.00 0.00 66.02 65.54 1mwa s SER 76 CO 0.00 0.17 0.19 -0.22 0.41 0.00 0.00 173.24 173.79 1mwa s LEU 77 N -0.01 4.04 0.08 2.44 0.20 -1.21 -2.05 118.68 122.17 1mwa s LEU 77 Ca -0.04 0.03 -0.06 0.00 0.69 0.00 0.00 54.13 54.76 1mwa s LEU 77 Cb -0.12 -2.13 -0.05 0.00 -0.43 0.00 0.00 46.19 43.46 1mwa s LEU 77 CO 0.02 -0.03 0.32 -0.63 -0.29 0.00 0.00 176.35 175.74 1mwa s ILE 78 N 1.63 5.23 -0.34 6.68 1.09 0.43 -2.60 121.20 133.32 1mwa s ILE 78 Ca 0.07 0.09 -0.02 0.00 -1.10 0.00 0.00 60.65 59.69 1mwa s ILE 78 Cb -0.15 -3.61 0.19 0.00 -1.06 0.00 0.00 42.46 37.82 1mwa s ILE 78 CO 0.10 0.20 0.86 -1.48 -0.10 0.00 0.00 174.94 174.52 1mwa s LEU 79 N -2.21 -0.90 0.00 2.97 2.34 -0.98 -1.62 118.68 118.28 1mwa s LEU 79 Ca 0.34 -0.23 0.00 0.00 0.06 0.00 0.00 54.13 54.31 1mwa s LEU 79 Cb -0.13 1.30 0.00 0.00 -0.56 0.00 0.00 46.19 46.81 1mwa s LEU 79 CO 0.21 -0.13 0.44 -0.62 -1.06 0.00 0.00 176.35 175.20 1mwa n GLU 80 N 4.50 0.00 -2.01 1.48 4.71 -1.26 -3.25 120.64 124.81 1mwa n GLU 80 Ca 0.08 0.16 -0.29 0.00 -0.01 0.00 0.00 57.16 57.10 1mwa n GLU 80 Cb 0.59 -1.00 -0.05 0.00 -1.01 0.00 0.00 31.44 29.98 1mwa n GLU 80 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 1mwa s LEU 81 N -1.94 3.18 0.54 -4.62 0.20 -1.03 -2.85 118.68 112.16 1mwa s LEU 81 Ca 0.00 -0.35 -0.18 0.00 0.69 0.00 0.00 54.13 54.29 1mwa s LEU 81 Cb 0.00 -2.55 -0.06 0.00 -0.43 0.00 0.00 46.19 43.15 1mwa s LEU 81 CO 0.00 -2.73 1.04 0.00 -0.29 0.00 0.00 176.35 174.37 1mwa s ALA 82 N 10.18 2.83 0.29 5.97 0.00 -1.25 -4.84 121.76 134.94 1mwa s ALA 82 Ca 0.71 0.46 0.10 0.00 0.00 0.00 0.00 51.96 53.24 1mwa s ALA 82 Cb -0.09 -3.23 -0.05 0.00 0.00 0.00 0.00 23.12 19.76 1mwa s ALA 82 CO 0.05 -0.54 -0.08 -0.08 0.00 0.00 0.00 175.76 175.11 1mwa s THR 83 N -2.27 2.82 0.51 0.00 -1.32 -1.26 -4.40 115.64 109.73 1mwa s THR 83 Ca 0.65 -2.13 0.26 0.00 -1.21 0.00 0.00 61.69 59.25 1mwa s THR 83 Cb -0.15 -2.61 0.42 0.00 -1.51 0.00 0.00 72.50 68.64 1mwa s THR 83 CO 0.29 -0.34 1.94 -0.65 -2.21 0.00 0.00 174.62 173.66 1mwa h PRO 84 N 2.02 0.08 -0.15 7.08 0.11 -1.98 0.22 132.00 139.38 1mwa h PRO 84 Ca -0.42 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1mwa h PRO 84 Cb 1.25 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1mwa h PRO 84 CO 0.62 0.05 0.00 -1.13 -0.21 0.00 0.00 178.00 177.33 1mwa n SER 85 N -4.37 0.96 -0.17 -2.05 3.41 -1.26 -3.50 113.62 106.65 1mwa n SER 85 Ca 0.14 -1.83 0.14 0.00 -0.26 0.00 0.00 58.87 57.06 1mwa n SER 85 Cb 0.72 -0.10 0.61 0.00 -0.26 0.00 0.00 64.21 65.18 1mwa n SER 85 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1mwa n GLN 86 N -0.05 0.87 -2.51 4.33 6.02 0.76 -4.78 117.38 122.03 1mwa n GLN 86 Ca 0.10 -0.34 -0.43 0.00 -0.01 0.00 0.00 57.00 56.32 1mwa n GLN 86 Cb 0.18 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 29.92 1mwa n GLN 86 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1mwa s THR 87 N -2.36 4.17 0.00 5.09 2.01 -1.23 -4.75 115.64 118.57 1mwa s THR 87 Ca 0.32 1.25 0.00 0.00 0.31 0.00 0.00 61.69 63.57 1mwa s THR 87 Cb 0.20 -4.38 0.00 0.00 0.01 0.00 0.00 72.50 68.34 1mwa s THR 87 CO 0.45 -0.74 0.00 -0.24 -0.69 0.00 0.00 174.62 173.40 1mwa n SER 88 N 7.87 0.00 -3.97 3.53 2.88 -1.12 -5.06 113.62 117.75 1mwa n SER 88 Ca 0.14 -0.11 -0.27 0.00 -1.33 0.00 0.00 58.87 57.30 1mwa n SER 88 Cb 0.48 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.77 1mwa n SER 88 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1mwa s VAL 89 N -2.30 1.17 0.06 2.46 1.01 -1.21 -2.36 120.40 119.23 1mwa s VAL 89 Ca 0.00 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 61.59 1mwa s VAL 89 Cb 0.00 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 1mwa s VAL 89 CO 0.00 0.38 0.01 -0.31 0.00 0.00 0.00 175.10 175.18 1mwa s TYR 90 N 1.26 3.05 0.01 5.22 2.02 -0.82 -0.88 117.35 127.22 1mwa s TYR 90 Ca -0.03 0.03 0.01 0.00 -0.37 0.00 0.00 57.07 56.70 1mwa s TYR 90 Cb -0.14 -1.60 -0.01 0.00 -0.40 0.00 0.00 41.96 39.82 1mwa s TYR 90 CO -0.04 0.48 -0.03 -0.06 -1.57 0.00 0.00 175.55 174.34 1mwa s PHE 91 N -1.25 0.23 -0.07 2.71 0.40 -0.88 -1.91 117.98 117.21 1mwa s PHE 91 Ca 0.24 -0.22 0.00 0.00 -0.60 0.00 0.00 56.93 56.36 1mwa s PHE 91 Cb -0.12 -0.15 -0.03 0.00 0.51 0.00 0.00 43.02 43.23 1mwa s PHE 91 CO 0.16 -0.06 -0.05 0.00 0.70 0.00 0.00 175.22 175.97 1mwa s ALA 93 N -0.84 3.54 0.27 0.00 0.00 0.23 -4.87 121.76 120.10 1mwa s ALA 93 Ca 0.13 -1.82 0.02 0.00 0.00 0.00 0.00 51.96 50.28 1mwa s ALA 93 Cb -0.11 -0.76 -0.04 0.00 0.00 0.00 0.00 23.12 22.21 1mwa s ALA 93 CO 0.02 0.02 0.15 -1.12 0.00 0.00 0.00 175.76 174.83 1mwa s SER 94 N -3.87 1.07 0.00 0.00 0.01 -1.25 -1.29 113.70 108.36 1mwa s SER 94 Ca 0.38 -1.49 0.00 0.00 1.31 0.00 0.00 55.95 56.15 1mwa s SER 94 Cb -0.03 0.36 0.00 0.00 0.21 0.00 0.00 66.02 66.56 1mwa s SER 94 CO 0.23 -0.86 0.00 0.61 0.41 0.00 0.00 173.24 173.63 1mwa n GLY 95 N -0.47 -0.08 2.58 3.44 0.00 -0.68 -4.13 105.19 105.85 1mwa n GLY 95 Ca 0.02 -1.74 -0.13 0.00 0.00 0.00 0.00 46.02 44.17 1mwa n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mwa n GLY 96 N -1.26 0.94 0.00 -0.02 0.00 -1.25 -1.88 105.19 101.72 1mwa n GLY 96 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1mwa n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mwa n GLY 97 N 1.43 2.98 0.10 -0.02 0.00 -1.26 -4.45 105.19 103.97 1mwa n GLY 97 Ca 0.12 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.34 1mwa n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mwa n GLY 98 N 0.00 0.24 2.90 -0.02 0.00 -1.26 -5.07 105.19 101.97 1mwa n GLY 98 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1mwa n GLY 98 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1mwa s THR 105 N 0.00 2.65 0.44 2.61 -1.32 -1.26 -5.10 115.64 113.67 1mwa s THR 105 Ca 0.00 -3.79 -0.16 0.00 -1.21 0.00 0.00 61.69 56.52 1mwa s THR 105 Cb 0.00 -2.78 -0.09 0.00 -1.51 0.00 0.00 72.50 68.12 1mwa s THR 105 CO 0.00 -0.93 0.90 -0.76 -2.21 0.00 0.00 174.62 171.62 1mwa s LEU 106 N -0.89 3.81 -0.36 9.08 1.43 -1.26 -3.86 118.68 126.63 1mwa s LEU 106 Ca 0.22 1.47 -0.00 0.00 -1.03 0.00 0.00 54.13 54.79 1mwa s LEU 106 Cb -0.14 -4.36 0.12 0.00 0.03 0.00 0.00 46.19 41.85 1mwa s LEU 106 CO -0.09 -0.44 0.17 -0.31 0.23 0.00 0.00 176.35 175.91 1mwa s TYR 107 N -2.37 1.32 0.95 0.29 1.51 -1.26 -4.93 117.35 112.86 1mwa s TYR 107 Ca 0.57 -1.79 -0.15 0.00 -1.01 0.00 0.00 57.07 54.70 1mwa s TYR 107 Cb -0.10 -1.43 0.20 0.00 -0.11 0.00 0.00 41.96 40.52 1mwa s TYR 107 CO 0.25 -0.83 1.30 -0.06 -1.11 0.00 0.00 175.55 175.10 1mwa s PHE 108 N 1.17 1.52 0.00 2.71 0.40 -1.26 -4.31 117.98 118.21 1mwa s PHE 108 Ca 0.14 0.24 0.00 0.00 -0.60 0.00 0.00 56.93 56.71 1mwa s PHE 108 Cb -0.21 -4.06 0.00 0.00 0.51 0.00 0.00 43.02 39.27 1mwa s PHE 108 CO -0.12 -2.62 0.00 0.41 0.70 0.00 0.00 175.22 173.59 1mwa n GLY 109 N -3.71 0.05 0.00 4.36 0.00 -1.24 -2.76 105.19 101.89 1mwa n GLY 109 Ca 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1mwa n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mwa n ALA 110 N -1.00 0.00 -3.82 4.61 0.00 -0.64 -4.57 120.51 115.09 1mwa n ALA 110 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1mwa n ALA 110 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 1mwa n ALA 110 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1mwa s GLY 111 N 0.00 0.24 0.00 0.00 0.00 -1.26 -4.58 107.32 101.72 1mwa s GLY 111 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 44.72 44.12 1mwa s GLY 111 CO 0.00 0.04 0.00 -1.30 0.00 0.00 0.00 173.10 171.84 1mwa n THR 112 N -0.53 0.00 -3.79 0.90 -2.24 -0.80 -4.78 114.28 103.03 1mwa n THR 112 Ca -0.07 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.61 1mwa n THR 112 Cb 0.60 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.77 1mwa n THR 112 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mwa s ARG 113 N -0.58 1.08 -0.04 -0.78 1.70 -1.26 -1.94 118.95 117.13 1mwa s ARG 113 Ca 0.00 -0.91 0.03 0.00 -0.47 0.00 0.00 55.73 54.38 1mwa s ARG 113 Cb 0.00 0.42 0.00 0.00 -0.57 0.00 0.00 34.95 34.80 1mwa s ARG 113 CO 0.00 -0.41 -0.14 -1.17 -1.08 0.00 0.00 175.30 172.51 1mwa s LEU 114 N -2.87 1.84 -0.50 -1.89 2.96 -0.99 -3.68 118.68 113.55 1mwa s LEU 114 Ca 0.08 -0.29 0.03 0.00 -0.22 0.00 0.00 54.13 53.73 1mwa s LEU 114 Cb 0.03 -0.81 0.15 0.00 0.50 0.00 0.00 46.19 46.06 1mwa s LEU 114 CO -0.07 0.11 0.33 -0.94 -1.32 0.00 0.00 176.35 174.46 1mwa s SER 115 N 0.15 3.27 0.04 3.68 1.04 -1.13 -2.77 113.70 117.98 1mwa s SER 115 Ca -0.05 -3.06 -0.15 0.00 0.48 0.00 0.00 55.95 53.18 1mwa s SER 115 Cb -0.11 -0.99 -0.06 0.00 0.10 0.00 0.00 66.02 64.97 1mwa s SER 115 CO 0.02 -0.19 0.46 0.68 0.98 0.00 0.00 173.24 175.18 1mwa s VAL 116 N -0.17 4.95 0.39 5.02 -7.23 -1.26 -3.79 120.40 118.30 1mwa s VAL 116 Ca 0.24 0.87 -0.13 0.00 -1.81 0.00 0.00 61.98 61.16 1mwa s VAL 116 Cb -0.11 -3.75 0.05 0.00 0.56 0.00 0.00 36.38 33.14 1mwa s VAL 116 CO -0.10 0.50 0.74 -0.22 -0.31 0.00 0.00 175.10 175.71 1mwa s LEU 316 N -1.28 0.23 -0.02 1.32 2.96 -1.26 -4.80 118.68 115.83 1mwa s LEU 316 Ca 0.27 -1.26 0.21 0.00 -0.22 0.00 0.00 54.13 53.13 1mwa s LEU 316 Cb -0.17 2.60 -0.26 0.00 0.50 0.00 0.00 46.19 48.87 1mwa s LEU 316 CO 0.16 -1.65 0.52 -0.62 -1.32 0.00 0.00 176.35 173.44 1mwa n GLU 117 N -0.55 0.65 -3.29 1.98 4.71 -1.26 -3.52 120.64 119.37 1mwa n GLU 117 Ca -0.07 -0.08 -0.46 0.00 -0.01 0.00 0.00 57.16 56.54 1mwa n GLU 117 Cb 0.60 -1.59 -0.05 0.00 -1.01 0.00 0.00 31.44 29.39 1mwa n GLU 117 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1mwa s ASP 118 N -4.93 6.21 0.00 1.62 3.68 -1.26 -4.83 116.67 117.15 1mwa s ASP 118 Ca -0.07 -1.78 0.24 0.00 2.13 0.00 0.00 52.55 53.08 1mwa s ASP 118 Cb 0.11 -2.22 0.38 0.00 -1.45 0.00 0.00 42.92 39.74 1mwa s ASP 118 CO 0.87 -0.88 1.33 -0.11 0.13 0.00 0.00 175.17 176.50 1mwa n LEU 119 N 5.33 1.10 -4.04 -1.34 7.94 -1.26 -4.45 117.00 120.28 1mwa n LEU 119 Ca -0.13 -0.34 -0.42 0.00 -1.11 0.00 0.00 56.01 54.02 1mwa n LEU 119 Cb 0.40 -0.11 -0.01 0.00 0.53 0.00 0.00 43.42 44.24 1mwa n LEU 119 CO 0.54 0.22 0.91 0.54 -1.11 0.00 0.00 177.39 178.49 1mwa n ARG 120 N -0.87 3.97 0.00 1.96 1.74 -1.26 -4.20 116.66 118.00 1mwa n ARG 120 Ca 0.09 -4.54 0.00 0.00 -0.77 0.00 0.00 57.85 52.63 1mwa n ARG 120 Cb 0.37 -2.49 0.00 0.00 -1.02 0.00 0.00 32.46 29.32 1mwa n ARG 120 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1mwa n ASN 121 N 1.66 0.00 -4.56 0.55 0.23 -1.26 -5.04 115.26 106.85 1mwa n ASN 121 Ca 0.26 0.00 -0.39 0.00 -0.53 0.00 0.00 54.58 53.92 1mwa n ASN 121 Cb 0.35 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.02 1mwa n ASN 121 CO 0.00 0.00 0.00 0.68 -0.93 0.00 0.00 177.26 177.01 1mwa s VAL 122 N 0.00 3.76 0.20 3.53 -7.23 -1.26 -4.04 120.40 115.35 1mwa s VAL 122 Ca 0.00 -0.33 -0.01 0.00 -1.81 0.00 0.00 61.98 59.83 1mwa s VAL 122 Cb 0.00 -4.78 -0.04 0.00 0.56 0.00 0.00 36.38 32.11 1mwa s VAL 122 CO 0.00 -1.69 0.39 0.42 -0.31 0.00 0.00 175.10 173.91 1mwa s THR 123 N 6.24 5.20 0.76 5.32 -4.23 -1.26 -4.52 115.64 123.15 1mwa s THR 123 Ca 0.48 -0.32 -0.16 0.00 -1.18 0.00 0.00 61.69 60.52 1mwa s THR 123 Cb -0.04 -3.72 -0.02 0.00 1.34 0.00 0.00 72.50 70.06 1mwa s THR 123 CO 0.00 -0.15 0.62 -2.65 -0.54 0.00 0.00 174.62 171.90 1mwa n PRO 124 N -0.59 0.25 -2.74 3.99 -0.02 -1.26 -3.79 135.00 130.85 1mwa n PRO 124 Ca -0.04 0.13 -0.42 0.00 -2.02 0.00 0.00 63.50 61.15 1mwa n PRO 124 Cb 0.54 -1.93 -0.03 0.00 -0.02 0.00 0.00 33.50 32.06 1mwa n PRO 124 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1mwa s PRO 125 N -3.04 4.33 -0.38 0.52 0.04 -1.26 -4.55 135.00 130.66 1mwa s PRO 125 Ca 0.66 1.27 -0.23 0.00 0.04 0.00 0.00 61.00 62.74 1mwa s PRO 125 Cb -0.33 -3.59 0.01 0.00 0.04 0.00 0.00 34.50 30.64 1mwa s PRO 125 CO 0.57 -0.43 0.78 0.15 0.04 0.00 0.00 177.00 178.12 1mwa s LYS 126 N 2.46 3.68 -0.47 4.56 1.02 -1.25 -4.69 119.74 125.04 1mwa s LYS 126 Ca 0.44 0.21 -0.13 0.00 0.02 0.00 0.00 55.97 56.51 1mwa s LYS 126 Cb -0.17 -3.84 0.09 0.00 -0.52 0.00 0.00 37.83 33.40 1mwa s LYS 126 CO 0.12 -0.90 0.38 0.54 -0.92 0.00 0.00 175.35 174.57 1mwa s VAL 127 N 3.13 4.82 0.00 3.17 0.11 -1.26 -2.75 120.40 127.61 1mwa s VAL 127 Ca 0.31 -1.36 0.00 0.00 -2.93 0.00 0.00 61.98 58.00 1mwa s VAL 127 Cb -0.13 -3.99 0.00 0.00 -1.53 0.00 0.00 36.38 30.73 1mwa s VAL 127 CO 0.18 -0.66 0.00 -1.20 -3.33 0.00 0.00 175.10 170.09 1mwa n SER 128 N 5.10 0.00 -3.15 3.54 7.64 -1.26 -4.66 113.62 120.83 1mwa n SER 128 Ca -0.11 -0.96 0.05 0.00 1.01 0.00 0.00 58.87 58.86 1mwa n SER 128 Cb 0.42 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.62 1mwa n SER 128 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1mwa s LEU 129 N 0.00 -0.44 0.70 -3.43 0.20 -1.26 -2.58 118.68 111.87 1mwa s LEU 129 Ca 0.00 0.09 -0.05 0.00 0.69 0.00 0.00 54.13 54.86 1mwa s LEU 129 Cb 0.00 1.29 0.08 0.00 -0.43 0.00 0.00 46.19 47.13 1mwa s LEU 129 CO 0.00 -0.08 0.99 -0.36 -0.29 0.00 0.00 176.35 176.61 1mwa s PHE 130 N 2.95 2.52 0.07 5.38 0.40 -1.22 -5.02 117.98 123.06 1mwa s PHE 130 Ca 0.22 0.19 0.00 0.00 -0.60 0.00 0.00 56.93 56.75 1mwa s PHE 130 Cb -0.03 -3.15 -0.04 0.00 0.51 0.00 0.00 43.02 40.31 1mwa s PHE 130 CO -0.21 -1.47 -0.05 -1.83 0.70 0.00 0.00 175.22 172.37 1mwa s GLU 131 N -5.18 0.72 0.92 0.44 -1.05 -1.26 -4.04 118.70 109.25 1mwa s GLU 131 Ca 0.62 -1.28 -0.11 0.00 -0.15 0.00 0.00 54.97 54.05 1mwa s GLU 131 Cb -0.09 0.00 0.11 0.00 -0.44 0.00 0.00 34.13 33.71 1mwa s GLU 131 CO 0.44 -0.06 0.95 -0.35 0.95 0.00 0.00 175.26 177.18 1mwa n PRO 132 N 0.03 -0.36 0.00 -4.83 -0.04 -1.26 -5.01 135.00 123.53 1mwa n PRO 132 Ca -0.13 -0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1mwa n PRO 132 Cb 0.61 -2.24 0.00 0.00 -0.04 0.00 0.00 33.50 31.83 1mwa n PRO 132 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1mwa n SER 133 N -3.35 -0.12 -0.82 3.54 3.41 -1.26 -4.99 113.62 110.04 1mwa n SER 133 Ca 0.11 -0.57 0.07 0.00 -0.26 0.00 0.00 58.87 58.22 1mwa n SER 133 Cb 0.52 0.00 0.21 0.00 -0.26 0.00 0.00 64.21 64.68 1mwa n SER 133 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1mwa n LYS 134 N -0.68 2.96 0.00 4.33 4.76 -1.26 -4.28 118.16 123.99 1mwa n LYS 134 Ca 0.00 -2.37 0.06 0.00 -2.87 0.00 0.00 58.31 53.14 1mwa n LYS 134 Cb 0.00 -1.49 -0.01 0.00 -1.84 0.00 0.00 35.03 31.68 1mwa n LYS 134 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1mwa n ALA 135 N 0.32 3.11 -2.63 7.82 0.00 -1.26 -4.51 120.51 123.36 1mwa n ALA 135 Ca 0.16 -0.47 -0.08 0.00 0.00 0.00 0.00 53.44 53.05 1mwa n ALA 135 Cb 0.60 -0.47 0.04 0.00 0.00 0.00 0.00 19.45 19.62 1mwa n ALA 135 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1mwa n GLU 136 N -0.35 2.07 -0.60 0.00 0.28 -1.26 -4.58 120.64 116.20 1mwa n GLU 136 Ca 0.05 -3.64 0.05 0.00 -0.16 0.00 0.00 57.16 53.45 1mwa n GLU 136 Cb 0.27 -1.70 0.08 0.00 1.43 0.00 0.00 31.44 31.52 1mwa n GLU 136 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 177.13 178.48 1mwa n ILE 137 N -0.51 0.92 0.08 3.84 3.06 -1.26 -4.14 119.36 121.36 1mwa n ILE 137 Ca 0.16 -1.42 0.00 0.00 -2.50 0.00 0.00 62.75 59.00 1mwa n ILE 137 Cb 0.83 0.26 0.00 0.00 0.54 0.00 0.00 39.64 41.27 1mwa n ILE 137 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1mwa n ALA 138 N -0.50 0.00 -0.37 1.51 0.00 -1.26 -4.86 120.51 115.02 1mwa n ALA 138 Ca 0.09 0.00 0.32 0.00 0.00 0.00 0.00 53.44 53.85 1mwa n ALA 138 Cb 0.77 0.00 0.54 0.00 0.00 0.00 0.00 19.45 20.76 1mwa n ALA 138 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1mwa n ASN 139 N -2.81 0.18 0.00 0.00 5.03 -1.26 -1.71 115.26 114.69 1mwa n ASN 139 Ca 0.00 1.13 0.00 0.00 0.87 0.00 0.00 54.58 56.58 1mwa n ASN 139 Cb 0.00 -0.55 0.00 0.00 -1.02 0.00 0.00 39.78 38.21 1mwa n ASN 139 CO 0.00 0.00 0.00 2.29 -1.83 0.00 0.00 177.26 177.72 1mwa n LYS 140 N -4.34 0.32 -1.01 3.52 2.85 -1.26 -4.99 118.16 113.25 1mwa n LYS 140 Ca 0.32 -0.53 -0.00 0.00 -1.05 0.00 0.00 58.31 57.05 1mwa n LYS 140 Cb 1.24 -0.57 -0.00 0.00 -0.65 0.00 0.00 35.03 35.05 1mwa n LYS 140 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1mwa n GLN 141 N -0.06 -1.74 -4.31 -1.58 6.02 -0.69 -4.94 117.38 110.09 1mwa n GLN 141 Ca 0.00 0.45 -0.24 0.00 -0.01 0.00 0.00 57.00 57.20 1mwa n GLN 141 Cb 0.42 -4.76 -0.08 0.00 1.02 0.00 0.00 30.24 26.83 1mwa n GLN 141 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1mwa s LYS 142 N -1.79 2.18 -0.23 -1.09 1.02 -1.26 -1.17 119.74 117.41 1mwa s LYS 142 Ca 0.00 -1.40 -0.08 0.00 0.02 0.00 0.00 55.97 54.50 1mwa s LYS 142 Cb 0.00 -2.13 0.10 0.00 -0.52 0.00 0.00 37.83 35.28 1mwa s LYS 142 CO 0.00 0.38 0.49 0.00 -0.92 0.00 0.00 175.35 175.31 1mwa s ALA 143 N -2.16 -1.42 -0.59 5.17 0.00 -1.04 -4.20 121.76 117.52 1mwa s ALA 143 Ca 0.29 1.78 -0.17 0.00 0.00 0.00 0.00 51.96 53.87 1mwa s ALA 143 Cb -0.07 -1.41 0.13 0.00 0.00 0.00 0.00 23.12 21.77 1mwa s ALA 143 CO 0.18 -0.73 0.59 0.99 0.00 0.00 0.00 175.76 176.80 1mwa s THR 144 N 2.50 5.13 0.13 0.00 2.01 -1.26 -1.36 115.64 122.79 1mwa s THR 144 Ca -0.04 -1.46 -0.01 0.00 0.31 0.00 0.00 61.69 60.49 1mwa s THR 144 Cb -0.11 -4.40 0.03 0.00 0.01 0.00 0.00 72.50 68.02 1mwa s THR 144 CO -0.15 -0.97 0.18 0.00 -0.69 0.00 0.00 174.62 173.00 1mwa n LEU 145 N 5.45 0.00 -3.53 4.42 -0.00 -0.41 -4.51 117.00 118.41 1mwa n LEU 145 Ca -0.09 -0.34 -0.09 0.00 -0.00 0.00 0.00 56.01 55.49 1mwa n LEU 145 Cb 0.41 -0.12 -0.03 0.00 -0.00 0.00 0.00 43.42 43.68 1mwa n LEU 145 CO 0.53 -0.60 0.74 0.54 -0.00 0.00 0.00 177.39 178.60 1mwa s VAL 146 N -0.57 0.00 0.10 1.47 0.11 -1.26 -3.46 120.40 116.79 1mwa s VAL 146 Ca 0.12 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.18 1mwa s VAL 146 Cb -0.01 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.80 1mwa s VAL 146 CO 0.08 0.00 -0.06 0.00 -3.33 0.00 0.00 175.10 171.79 1mwa n LEU 148 N -0.04 0.00 -1.94 0.00 4.32 -1.07 -3.04 117.00 115.23 1mwa n LEU 148 Ca -0.12 -1.91 -0.01 0.00 -0.02 0.00 0.00 56.01 53.95 1mwa n LEU 148 Cb 0.61 0.20 0.00 0.00 -1.62 0.00 0.00 43.42 42.61 1mwa n LEU 148 CO 0.30 -0.29 0.40 0.00 -1.22 0.00 0.00 177.39 176.58 1mwa n ALA 149 N -2.05 -1.73 -2.49 -1.18 0.00 -1.26 -4.40 120.51 107.40 1mwa n ALA 149 Ca -0.13 -0.20 -0.25 0.00 0.00 0.00 0.00 53.44 52.86 1mwa n ALA 149 Cb 0.39 -0.68 -0.14 0.00 0.00 0.00 0.00 19.45 19.02 1mwa n ALA 149 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1mwa s ARG 150 N 0.02 1.35 0.00 0.00 3.00 -1.11 -4.65 118.95 117.55 1mwa s ARG 150 Ca 0.02 -0.95 0.00 0.00 -1.00 0.00 0.00 55.73 53.80 1mwa s ARG 150 Cb 0.05 -1.47 0.00 0.00 0.00 0.00 0.00 34.95 33.53 1mwa s ARG 150 CO -0.01 0.37 0.00 0.41 0.00 0.00 0.00 175.30 176.07 1mwa n GLY 151 N 1.80 0.41 0.00 8.12 0.00 -1.22 -4.27 105.19 110.03 1mwa n GLY 151 Ca -0.17 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.05 1mwa n GLY 151 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1mwa n PHE 152 N 0.00 0.00 0.00 1.61 -1.74 -1.26 -3.80 117.46 112.27 1mwa n PHE 152 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 1mwa n PHE 152 Cb 0.00 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.00 1mwa n PHE 152 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 1mwa n PHE 153 N 0.00 0.00 -1.85 2.97 7.35 -1.24 -3.22 117.46 121.47 1mwa n PHE 153 Ca 0.00 0.00 -0.22 0.00 -0.76 0.00 0.00 57.45 56.47 1mwa n PHE 153 Cb 0.00 0.01 -0.07 0.00 0.35 0.00 0.00 39.48 39.77 1mwa n PHE 153 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 1mwa s PRO 154 N -1.84 2.02 0.00 -7.13 0.02 -1.26 -4.78 135.00 122.02 1mwa s PRO 154 Ca 0.00 -0.41 0.00 0.00 0.02 0.00 0.00 61.00 60.61 1mwa s PRO 154 Cb 0.00 -5.04 0.00 0.00 0.02 0.00 0.00 34.50 29.48 1mwa s PRO 154 CO 0.00 -4.27 0.19 -0.40 -0.33 0.00 0.00 177.00 172.19 1mwa n ASP 155 N 16.41 0.50 -4.00 2.53 5.75 -1.26 -4.29 116.55 132.18 1mwa n ASP 155 Ca 0.43 -0.56 -0.40 0.00 -0.01 0.00 0.00 54.79 54.25 1mwa n ASP 155 Cb 0.46 -0.14 -0.02 0.00 -1.03 0.00 0.00 41.12 40.39 1mwa n ASP 155 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1mwa n HIS 156 N 0.55 3.47 -3.92 2.11 8.25 -1.26 -4.99 115.22 119.44 1mwa n HIS 156 Ca 0.00 -3.40 -0.10 0.00 -0.26 0.00 0.00 57.72 53.96 1mwa n HIS 156 Cb 0.10 -1.21 -0.12 0.00 1.12 0.00 0.00 29.99 29.87 1mwa n HIS 156 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1mwa s VAL 157 N -2.18 0.06 -0.16 1.59 -7.23 -1.26 -3.42 120.40 107.81 1mwa s VAL 157 Ca 0.32 -0.53 -0.04 0.00 -1.81 0.00 0.00 61.98 59.91 1mwa s VAL 157 Cb 0.01 -0.20 0.06 0.00 0.56 0.00 0.00 36.38 36.81 1mwa s VAL 157 CO 0.01 -0.29 0.08 -1.61 -0.31 0.00 0.00 175.10 172.97 1mwa s GLU 158 N -0.88 0.10 1.34 4.82 8.01 -1.26 -5.01 118.70 125.81 1mwa s GLU 158 Ca -0.10 -0.06 -0.19 0.00 0.01 0.00 0.00 54.97 54.63 1mwa s GLU 158 Cb -0.06 -1.71 0.34 0.00 -4.31 0.00 0.00 34.13 28.39 1mwa s GLU 158 CO -0.00 -0.63 0.96 -0.51 0.01 0.00 0.00 175.26 175.09 1mwa s LEU 159 N 2.12 -0.48 0.03 1.80 1.02 -1.26 -3.72 118.68 118.19 1mwa s LEU 159 Ca 0.02 1.08 -0.27 0.00 0.02 0.00 0.00 54.13 54.98 1mwa s LEU 159 Cb -0.16 -2.67 0.08 0.00 0.02 0.00 0.00 46.19 43.47 1mwa s LEU 159 CO -0.08 -5.00 0.73 -0.55 0.02 0.00 0.00 176.35 171.46 1mwa s SER 160 N -2.91 -0.53 -0.28 2.29 0.15 -0.73 -4.90 113.70 106.79 1mwa s SER 160 Ca 0.69 0.26 0.01 0.00 0.70 0.00 0.00 55.95 57.61 1mwa s SER 160 Cb -0.18 0.50 0.08 0.00 -1.71 0.00 0.00 66.02 64.72 1mwa s SER 160 CO 0.60 -0.72 -0.00 0.26 1.20 0.00 0.00 173.24 174.59 1mwa s TRP 161 N -2.55 2.70 0.18 3.44 0.52 -1.26 -2.18 118.94 119.79 1mwa s TRP 161 Ca -0.02 -2.13 0.06 0.00 0.02 0.00 0.00 56.10 54.02 1mwa s TRP 161 Cb -0.01 -1.99 -0.04 0.00 -1.15 0.00 0.00 33.47 30.28 1mwa s TRP 161 CO -0.04 -0.85 0.14 -1.58 0.02 0.00 0.00 176.95 174.64 1mwa s TRP 162 N 1.28 3.12 -0.03 -1.98 0.52 0.10 -4.30 118.94 117.66 1mwa s TRP 162 Ca 0.01 -0.04 0.01 0.00 0.02 0.00 0.00 56.10 56.10 1mwa s TRP 162 Cb -0.19 -1.48 0.02 0.00 -1.15 0.00 0.00 33.47 30.68 1mwa s TRP 162 CO -0.10 0.52 -0.02 0.08 0.02 0.00 0.00 176.95 177.45 1mwa s VAL 163 N -1.83 0.29 0.00 4.03 1.01 -1.18 -0.09 120.40 122.63 1mwa s VAL 163 Ca 0.31 -0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.29 1mwa s VAL 163 Cb -0.10 -0.35 0.00 0.00 0.00 0.00 0.00 36.38 35.94 1mwa s VAL 163 CO 0.23 0.16 0.00 0.59 0.00 0.00 0.00 175.10 176.08 1mwa n ASN 164 N 3.95 -0.12 0.08 3.32 5.03 -1.20 -2.35 115.26 123.98 1mwa n ASN 164 Ca -0.25 0.00 0.12 0.00 0.87 0.00 0.00 54.58 55.32 1mwa n ASN 164 Cb 0.51 0.00 0.45 0.00 -1.02 0.00 0.00 39.78 39.72 1mwa n ASN 164 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1mwa n GLY 165 N 0.00 -1.36 0.02 7.41 0.00 -1.26 -4.82 105.19 105.18 1mwa n GLY 165 Ca 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 46.02 46.03 1mwa n GLY 165 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1mwa n LYS 166 N -2.02 1.33 -4.66 1.61 4.01 -0.99 -5.13 118.16 112.30 1mwa n LYS 166 Ca 0.04 -0.02 -0.28 0.00 -0.51 0.00 0.00 58.31 57.53 1mwa n LYS 166 Cb 0.28 0.00 -0.17 0.00 -0.51 0.00 0.00 35.03 34.64 1mwa n LYS 166 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 1mwa s GLU 167 N -2.01 2.31 0.80 1.97 2.12 -1.26 -3.09 118.70 119.54 1mwa s GLU 167 Ca 0.00 -0.61 -0.11 0.00 0.36 0.00 0.00 54.97 54.61 1mwa s GLU 167 Cb -0.00 -1.89 0.07 0.00 0.26 0.00 0.00 34.13 32.57 1mwa s GLU 167 CO 0.00 0.01 1.09 0.14 -0.54 0.00 0.00 175.26 175.96 1mwa s VAL 168 N 0.76 3.23 -0.57 3.70 -7.23 -1.26 -4.93 120.40 114.09 1mwa s VAL 168 Ca -0.11 0.40 0.06 0.00 -1.81 0.00 0.00 61.98 60.51 1mwa s VAL 168 Cb -0.16 -2.96 0.32 0.00 0.56 0.00 0.00 36.38 34.14 1mwa s VAL 168 CO 0.02 -0.52 0.89 1.41 -0.31 0.00 0.00 175.10 176.59 1mwa n HIS 169 N -3.54 3.67 0.00 2.82 -0.00 -1.26 -4.99 115.22 111.92 1mwa n HIS 169 Ca 0.08 -4.01 0.00 0.00 -0.00 0.00 0.00 57.72 53.79 1mwa n HIS 169 Cb 0.54 -0.50 0.00 0.00 -0.00 0.00 0.00 29.99 30.04 1mwa n HIS 169 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1mwa n SER 170 N 0.00 0.00 0.00 0.41 2.88 -1.26 -5.07 113.62 110.58 1mwa n SER 170 Ca 0.30 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.84 1mwa n SER 170 Cb 0.41 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 1mwa n SER 170 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1mwa n GLY 171 N -0.34 2.14 0.47 0.46 0.00 -1.26 -4.96 105.19 101.70 1mwa n GLY 171 Ca 0.00 -0.20 -0.06 0.00 0.00 0.00 0.00 46.02 45.76 1mwa n GLY 171 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1mwa n VAL 172 N 0.00 0.00 -2.32 1.61 0.31 -1.03 -4.53 118.33 112.37 1mwa n VAL 172 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.01 1mwa n VAL 172 Cb 0.00 -0.07 0.01 0.00 -0.91 0.00 0.00 33.84 32.87 1mwa n VAL 172 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1mwa n SER 173 N 1.37 5.84 -4.57 4.52 2.88 -1.23 -4.87 113.62 117.56 1mwa n SER 173 Ca 0.09 -3.76 -0.40 0.00 -1.33 0.00 0.00 58.87 53.47 1mwa n SER 173 Cb 0.00 -0.72 -0.03 0.00 -0.75 0.00 0.00 64.21 62.71 1mwa n SER 173 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1mwa s THR 174 N -5.24 3.19 -0.35 2.46 2.01 -1.26 -3.97 115.64 112.49 1mwa s THR 174 Ca 0.49 0.16 -0.44 0.00 0.31 0.00 0.00 61.69 62.21 1mwa s THR 174 Cb 0.39 -3.36 -0.19 0.00 0.01 0.00 0.00 72.50 69.36 1mwa s THR 174 CO -0.27 -0.29 1.54 0.47 -0.69 0.00 0.00 174.62 175.38 1mwa n ASP 175 N 12.93 1.32 0.14 3.53 8.00 -0.93 -4.75 116.55 136.78 1mwa n ASP 175 Ca 0.28 1.16 0.06 0.00 0.71 0.00 0.00 54.79 56.99 1mwa n ASP 175 Cb 0.50 -0.96 0.30 0.00 -0.02 0.00 0.00 41.12 40.94 1mwa n ASP 175 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1mwa n PRO 176 N 3.86 0.07 -3.67 -0.24 -0.02 -1.26 -4.56 135.00 129.19 1mwa n PRO 176 Ca 0.28 0.52 -0.14 0.00 -2.02 0.00 0.00 63.50 62.14 1mwa n PRO 176 Cb 0.02 -2.03 -0.08 0.00 -0.02 0.00 0.00 33.50 31.38 1mwa n PRO 176 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1mwa s GLN 177 N -3.20 0.73 0.44 -0.52 2.00 -1.26 -5.17 119.66 112.67 1mwa s GLN 177 Ca -0.01 0.45 -0.06 0.00 -2.00 0.00 0.00 55.36 53.73 1mwa s GLN 177 Cb 0.03 0.35 -0.04 0.00 0.80 0.00 0.00 33.01 34.14 1mwa s GLN 177 CO 0.10 -0.15 0.74 0.00 -0.50 0.00 0.00 175.29 175.48 1mwa s ALA 178 N -0.37 3.43 0.49 1.58 0.00 -1.26 -4.92 121.76 120.71 1mwa s ALA 178 Ca -0.05 -0.47 0.09 0.00 0.00 0.00 0.00 51.96 51.53 1mwa s ALA 178 Cb -0.03 -2.55 0.05 0.00 0.00 0.00 0.00 23.12 20.58 1mwa s ALA 178 CO 0.03 -0.19 0.67 0.71 0.00 0.00 0.00 175.76 176.98 1mwa s TYR 179 N -2.57 2.14 -0.40 0.00 2.02 0.43 -4.85 117.35 114.13 1mwa s TYR 179 Ca 0.47 -0.56 0.02 0.00 -0.37 0.00 0.00 57.07 56.63 1mwa s TYR 179 Cb -0.10 -2.29 0.15 0.00 -0.40 0.00 0.00 41.96 39.31 1mwa s TYR 179 CO 0.40 -0.76 0.26 0.21 -1.57 0.00 0.00 175.55 174.08 1mwa s LYS 180 N -4.50 0.87 0.03 -0.62 2.20 -1.26 -0.39 119.74 116.06 1mwa s LYS 180 Ca 0.58 -1.73 -0.18 0.00 -0.36 0.00 0.00 55.97 54.29 1mwa s LYS 180 Cb -0.08 -1.64 -0.24 0.00 -1.51 0.00 0.00 37.83 34.36 1mwa s LYS 180 CO 0.36 -1.24 1.12 1.05 -0.36 0.00 0.00 175.35 176.28 1mwa h GLU 181 N 6.59 0.52 0.00 4.03 4.11 -1.93 -3.46 114.58 124.45 1mwa h GLU 181 Ca 0.09 -0.58 0.00 0.00 0.07 0.00 0.00 59.36 58.95 1mwa h GLU 181 Cb 0.94 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1mwa h GLU 181 CO 0.35 1.20 0.00 0.43 0.07 0.00 0.00 179.01 181.07 1mwa n SER 182 N -4.07 0.00 -0.45 3.06 7.64 -1.17 -5.02 113.62 113.61 1mwa n SER 182 Ca -0.11 -1.00 0.11 0.00 1.01 0.00 0.00 58.87 58.88 1mwa n SER 182 Cb 0.77 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.95 1mwa n SER 182 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1mwa n ASN 186 N -3.00 1.93 -0.47 6.43 4.05 -1.26 -4.42 115.26 118.52 1mwa n ASN 186 Ca 0.00 -1.47 0.00 0.00 0.45 0.00 0.00 54.58 53.56 1mwa n ASN 186 Cb 0.00 0.52 0.00 0.00 1.23 0.00 0.00 39.78 41.53 1mwa n ASN 186 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 1mwa n TYR 187 N -0.14 0.00 -3.74 1.20 4.02 -1.26 -5.08 117.16 112.15 1mwa n TYR 187 Ca 0.09 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.83 1mwa n TYR 187 Cb 0.45 0.06 -0.15 0.00 -0.02 0.00 0.00 39.34 39.69 1mwa n TYR 187 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1mwa s SER 189 N -0.59 0.06 0.22 7.72 0.01 -1.20 -3.65 113.70 116.27 1mwa s SER 189 Ca 0.00 0.25 0.07 0.00 1.31 0.00 0.00 55.95 57.58 1mwa s SER 189 Cb 0.00 0.14 -0.04 0.00 0.21 0.00 0.00 66.02 66.33 1mwa s SER 189 CO 0.00 -0.16 0.09 -0.31 0.41 0.00 0.00 173.24 173.27 1mwa s TYR 190 N 1.31 2.95 0.21 2.43 1.51 -1.25 -3.04 117.35 121.48 1mwa s TYR 190 Ca -0.07 -0.13 0.08 0.00 -1.01 0.00 0.00 57.07 55.94 1mwa s TYR 190 Cb -0.12 -1.36 -0.04 0.00 -0.11 0.00 0.00 41.96 40.33 1mwa s TYR 190 CO -0.05 0.55 -0.00 0.00 -1.11 0.00 0.00 175.55 174.93 1mwa s LEU 192 N -3.27 -0.35 -0.11 0.00 2.96 -1.26 -0.43 118.68 116.22 1mwa s LEU 192 Ca 0.29 0.17 -0.18 0.00 -0.22 0.00 0.00 54.13 54.19 1mwa s LEU 192 Cb -0.08 1.92 0.04 0.00 0.50 0.00 0.00 46.19 48.57 1mwa s LEU 192 CO 0.19 -0.48 0.45 -0.94 -1.32 0.00 0.00 176.35 174.25 1mwa s SER 193 N -1.91 -0.42 0.07 3.68 1.04 -1.26 -4.17 113.70 110.72 1mwa s SER 193 Ca 0.02 0.65 0.00 0.00 0.48 0.00 0.00 55.95 57.11 1mwa s SER 193 Cb -0.01 0.70 -0.00 0.00 0.10 0.00 0.00 66.02 66.81 1mwa s SER 193 CO -0.04 -0.31 0.02 -1.54 0.98 0.00 0.00 173.24 172.34 1mwa n SER 194 N 2.08 1.34 -3.50 7.02 3.41 -1.17 -2.20 113.62 120.61 1mwa n SER 194 Ca -0.17 -1.33 0.01 0.00 -0.26 0.00 0.00 58.87 57.12 1mwa n SER 194 Cb 0.57 0.13 0.02 0.00 -0.26 0.00 0.00 64.21 64.66 1mwa n SER 194 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1mwa n ARG 195 N -0.15 0.34 -3.52 4.33 1.85 -1.26 -3.61 116.66 114.63 1mwa n ARG 195 Ca -0.02 -0.98 -0.09 0.00 -1.00 0.00 0.00 57.85 55.76 1mwa n ARG 195 Cb 0.09 1.47 -0.03 0.00 -1.05 0.00 0.00 32.46 32.94 1mwa n ARG 195 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 1mwa s LEU 196 N 0.00 -0.38 -0.02 2.89 2.96 -1.22 -2.46 118.68 120.44 1mwa s LEU 196 Ca 0.26 0.13 0.06 0.00 -0.22 0.00 0.00 54.13 54.36 1mwa s LEU 196 Cb -0.01 2.02 -0.02 0.00 0.50 0.00 0.00 46.19 48.67 1mwa s LEU 196 CO 0.02 -0.56 -0.20 -0.60 -1.32 0.00 0.00 176.35 173.69 1mwa s ARG 197 N -2.55 2.26 -0.16 1.98 3.52 -1.26 -1.29 118.95 121.45 1mwa s ARG 197 Ca 0.02 -0.84 0.00 0.00 -0.13 0.00 0.00 55.73 54.78 1mwa s ARG 197 Cb -0.01 -2.20 0.04 0.00 -1.56 0.00 0.00 34.95 31.21 1mwa s ARG 197 CO -0.06 0.58 -0.09 0.14 -0.81 0.00 0.00 175.30 175.07 1mwa s VAL 198 N -0.71 1.35 0.00 7.11 -7.23 -0.47 -4.94 120.40 115.51 1mwa s VAL 198 Ca 0.11 -0.69 0.00 0.00 -1.81 0.00 0.00 61.98 59.59 1mwa s VAL 198 Cb -0.10 -1.42 0.00 0.00 0.56 0.00 0.00 36.38 35.42 1mwa s VAL 198 CO 0.01 0.25 0.00 -1.20 -0.31 0.00 0.00 175.10 173.84 1mwa n SER 199 N 4.81 -0.11 0.14 4.85 7.64 -1.26 -2.50 113.62 127.18 1mwa n SER 199 Ca -0.14 -0.02 -0.05 0.00 1.01 0.00 0.00 58.87 59.67 1mwa n SER 199 Cb 0.48 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.66 1mwa n SER 199 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1mwa h ALA 200 N -2.00 -0.86 0.00 -0.43 0.00 -1.51 -3.10 119.26 111.36 1mwa h ALA 200 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1mwa h ALA 200 Cb 0.00 0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1mwa h ALA 200 CO 0.00 -0.84 0.00 -2.37 0.00 0.00 0.00 179.25 176.04 1mwa n THR 201 N -3.17 1.58 0.00 0.00 5.66 -1.26 -3.46 114.28 113.63 1mwa n THR 201 Ca -0.04 -0.33 0.00 0.00 -3.05 0.00 0.00 64.05 60.62 1mwa n THR 201 Cb 0.14 -1.32 0.00 0.00 -1.55 0.00 0.00 70.33 67.60 1mwa n THR 201 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 1mwa n PHE 202 N 1.27 0.00 0.19 1.09 3.72 -1.17 -4.61 117.46 117.95 1mwa n PHE 202 Ca 0.00 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.48 1mwa n PHE 202 Cb 0.46 0.00 0.20 0.00 -0.94 0.00 0.00 39.48 39.20 1mwa n PHE 202 CO 0.00 0.00 0.00 2.35 -0.05 0.00 0.00 176.76 179.06 1mwa h TRP 203 N 0.00 0.00 -0.05 1.38 2.91 -1.73 -2.91 115.95 115.54 1mwa h TRP 203 Ca 0.00 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.02 1mwa h TRP 203 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.65 1mwa h TRP 203 CO 0.00 0.27 0.00 0.72 -1.03 0.00 0.00 178.44 178.40 1mwa n HIS 204 N -3.22 0.05 -2.46 2.65 -0.00 -1.23 -4.37 115.22 106.64 1mwa n HIS 204 Ca 0.02 -0.03 -0.43 0.00 -0.00 0.00 0.00 57.72 57.28 1mwa n HIS 204 Cb 0.58 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.55 1mwa n HIS 204 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1mwa s ASN 205 N -1.88 6.78 0.00 0.41 2.47 -1.10 -4.21 114.94 117.41 1mwa s ASN 205 Ca 0.37 1.29 0.00 0.00 0.42 0.00 0.00 52.86 54.94 1mwa s ASN 205 Cb 0.20 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.46 1mwa s ASN 205 CO 0.32 -0.97 0.13 -2.65 -3.72 0.00 0.00 177.10 170.20 1mwa n PRO 206 N 7.08 0.00 -3.29 0.43 -0.02 -1.10 -3.87 135.00 134.23 1mwa n PRO 206 Ca 0.14 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.65 1mwa n PRO 206 Cb 0.46 -1.20 -0.03 0.00 -0.02 0.00 0.00 33.50 32.71 1mwa n PRO 206 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1mwa s ARG 207 N -1.41 0.29 0.11 -0.52 1.70 -1.26 -4.60 118.95 113.26 1mwa s ARG 207 Ca 0.00 0.64 -0.18 0.00 -0.47 0.00 0.00 55.73 55.72 1mwa s ARG 207 Cb 0.00 0.37 0.06 0.00 -0.57 0.00 0.00 34.95 34.81 1mwa s ARG 207 CO 0.00 -0.20 0.84 0.27 -1.08 0.00 0.00 175.30 175.13 1mwa n ASN 208 N 5.21 -1.25 -3.71 -2.89 6.94 -1.26 -4.97 115.26 113.33 1mwa n ASN 208 Ca -0.07 -1.59 -0.14 0.00 -0.02 0.00 0.00 54.58 52.76 1mwa n ASN 208 Cb 0.53 2.01 -0.14 0.00 -2.36 0.00 0.00 39.78 39.82 1mwa n ASN 208 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 1mwa s HIS 209 N -2.84 -0.26 0.25 -2.53 2.46 -1.26 -3.04 115.29 108.08 1mwa s HIS 209 Ca 0.19 0.68 0.08 0.00 0.47 0.00 0.00 55.06 56.47 1mwa s HIS 209 Cb -0.02 -0.08 -0.04 0.00 -0.13 0.00 0.00 32.58 32.31 1mwa s HIS 209 CO 0.03 -0.24 0.12 -0.06 -2.47 0.00 0.00 174.74 172.12 1mwa s PHE 210 N 1.67 2.96 -0.21 3.88 0.08 -1.23 -3.26 117.98 121.87 1mwa s PHE 210 Ca -0.05 -0.15 -0.16 0.00 0.12 0.00 0.00 56.93 56.70 1mwa s PHE 210 Cb -0.11 -1.33 0.06 0.00 -0.57 0.00 0.00 43.02 41.06 1mwa s PHE 210 CO -0.07 0.56 0.53 1.03 -0.10 0.00 0.00 175.22 177.16 1mwa s ARG 211 N -3.73 0.58 -0.01 0.44 0.52 0.87 -3.86 118.95 113.76 1mwa s ARG 211 Ca 0.32 0.83 0.03 0.00 -0.52 0.00 0.00 55.73 56.39 1mwa s ARG 211 Cb -0.07 0.19 -0.01 0.00 0.52 0.00 0.00 34.95 35.58 1mwa s ARG 211 CO 0.23 -0.11 -0.10 0.00 0.02 0.00 0.00 175.30 175.34 1mwa s GLN 213 N -0.15 0.11 -0.63 0.00 0.74 -0.93 -3.26 119.66 115.54 1mwa s GLN 213 Ca 0.02 -0.08 -0.06 0.00 0.05 0.00 0.00 55.36 55.30 1mwa s GLN 213 Cb -0.05 0.04 0.16 0.00 1.10 0.00 0.00 33.01 34.27 1mwa s GLN 213 CO -0.00 -0.02 0.48 0.08 -0.55 0.00 0.00 175.29 175.28 1mwa s VAL 214 N -0.29 4.11 -0.86 1.34 1.01 -0.98 -1.78 120.40 122.94 1mwa s VAL 214 Ca -0.03 -2.68 -0.25 0.00 0.00 0.00 0.00 61.98 59.02 1mwa s VAL 214 Cb -0.02 -3.65 -0.23 0.00 0.00 0.00 0.00 36.38 32.47 1mwa s VAL 214 CO -0.00 -0.88 1.95 1.67 0.00 0.00 0.00 175.10 177.83 1mwa n GLN 215 N 3.81 0.07 -2.20 2.72 7.27 -1.24 -3.89 117.38 123.92 1mwa n GLN 215 Ca 0.07 -1.46 -0.42 0.00 0.07 0.00 0.00 57.00 55.25 1mwa n GLN 215 Cb 0.40 -3.51 -0.03 0.00 2.41 0.00 0.00 30.24 29.51 1mwa n GLN 215 CO 0.00 0.00 0.00 0.12 0.07 0.00 0.00 177.06 177.25 1mwa s PHE 216 N 14.73 3.22 -0.58 3.69 5.36 -1.20 -4.24 117.98 138.96 1mwa s PHE 216 Ca 0.73 0.97 -0.07 0.00 -0.96 0.00 0.00 56.93 57.59 1mwa s PHE 216 Cb -0.02 -3.66 0.15 0.00 -0.34 0.00 0.00 43.02 39.15 1mwa s PHE 216 CO 0.19 -2.30 0.44 -1.01 -1.46 0.00 0.00 175.22 171.07 1mwa s HIS 217 N 1.23 3.50 0.00 10.12 3.76 -1.22 -4.25 115.29 128.42 1mwa s HIS 217 Ca 0.64 -2.25 0.00 0.00 -0.15 0.00 0.00 55.06 53.31 1mwa s HIS 217 Cb -0.36 -3.42 0.00 0.00 1.11 0.00 0.00 32.58 29.91 1mwa s HIS 217 CO 0.30 -0.94 0.00 0.41 -0.85 0.00 0.00 174.74 173.66 1mwa n GLY 218 N 4.22 5.38 3.77 -2.22 0.00 -1.22 -4.83 105.19 110.29 1mwa n GLY 218 Ca 0.02 -1.98 -0.37 0.00 0.00 0.00 0.00 46.02 43.69 1mwa n GLY 218 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mwa s LEU 219 N 0.00 4.12 1.01 0.99 1.43 -0.77 -4.60 118.68 120.87 1mwa s LEU 219 Ca 0.00 2.24 -0.11 0.00 -1.03 0.00 0.00 54.13 55.23 1mwa s LEU 219 Cb 0.00 -4.14 0.20 0.00 0.03 0.00 0.00 46.19 42.28 1mwa s LEU 219 CO 0.00 -0.70 1.09 -0.44 0.23 0.00 0.00 176.35 176.53 1mwa s SER 220 N -1.33 2.26 0.00 2.29 0.01 -1.26 -3.15 113.70 112.52 1mwa s SER 220 Ca 0.59 1.80 0.00 0.00 1.31 0.00 0.00 55.95 59.65 1mwa s SER 220 Cb -0.27 -2.40 0.00 0.00 0.21 0.00 0.00 66.02 63.56 1mwa s SER 220 CO 0.34 -3.45 0.43 -0.62 0.41 0.00 0.00 173.24 170.36 1mwa n GLU 221 N -4.44 0.81 -0.89 12.44 4.71 -1.26 -2.73 120.64 129.29 1mwa n GLU 221 Ca 0.07 0.00 0.04 0.00 -0.01 0.00 0.00 57.16 57.27 1mwa n GLU 221 Cb 0.53 -1.38 0.08 0.00 -1.01 0.00 0.00 31.44 29.66 1mwa n GLU 221 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1mwa n GLU 222 N 0.13 0.55 -4.13 3.49 1.02 -1.26 -5.08 120.64 115.36 1mwa n GLU 222 Ca 0.00 -2.18 -0.25 0.00 -0.02 0.00 0.00 57.16 54.71 1mwa n GLU 222 Cb 0.22 -0.69 -0.07 0.00 -0.02 0.00 0.00 31.44 30.88 1mwa n GLU 222 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1mwa s ASP 223 N -2.20 4.44 0.42 1.62 3.68 -1.11 -5.15 116.67 118.37 1mwa s ASP 223 Ca 0.27 -1.10 0.07 0.00 2.13 0.00 0.00 52.55 53.92 1mwa s ASP 223 Cb 0.29 -0.40 -0.04 0.00 -1.45 0.00 0.00 42.92 41.32 1mwa s ASP 223 CO -0.08 -0.59 0.21 -0.54 0.13 0.00 0.00 175.17 174.30 1mwa s LYS 224 N -3.93 2.26 -0.30 4.34 -0.14 -1.26 -5.04 119.74 115.67 1mwa s LYS 224 Ca 0.40 -1.84 -0.06 0.00 -1.36 0.00 0.00 55.97 53.10 1mwa s LYS 224 Cb 0.03 -2.01 0.18 0.00 -1.68 0.00 0.00 37.83 34.35 1mwa s LYS 224 CO 0.22 -0.16 0.80 -0.46 -0.76 0.00 0.00 175.35 174.98 1mwa s TRP 225 N -2.61 -1.14 0.39 3.18 -0.11 -1.26 -5.05 118.94 112.34 1mwa s TRP 225 Ca 0.40 1.18 -0.07 0.00 1.22 0.00 0.00 56.10 58.84 1mwa s TRP 225 Cb 0.03 0.39 0.10 0.00 -1.50 0.00 0.00 33.47 32.48 1mwa s TRP 225 CO 0.22 -0.63 0.40 -0.35 -4.62 0.00 0.00 176.95 171.98 1mwa n PRO 226 N 5.44 -1.31 0.00 5.86 -0.04 -1.26 -4.92 135.00 138.77 1mwa n PRO 226 Ca -0.03 -0.64 0.00 0.00 -0.04 0.00 0.00 63.50 62.79 1mwa n PRO 226 Cb 0.52 -0.53 0.00 0.00 -0.04 0.00 0.00 33.50 33.45 1mwa n PRO 226 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1mwa n GLU 227 N -2.42 0.00 -3.64 0.54 4.71 -1.26 -4.55 120.64 114.01 1mwa n GLU 227 Ca 0.05 0.00 -0.39 0.00 -0.01 0.00 0.00 57.16 56.81 1mwa n GLU 227 Cb 0.20 0.00 -0.09 0.00 -1.01 0.00 0.00 31.44 30.54 1mwa n GLU 227 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 1mwa s GLY 228 N -4.16 2.09 0.00 0.62 0.00 -1.26 -5.01 107.32 99.61 1mwa s GLY 228 Ca 0.00 -2.64 0.00 0.00 0.00 0.00 0.00 44.72 42.08 1mwa s GLY 228 CO 0.00 1.09 0.00 -1.14 0.00 0.00 0.00 173.10 173.05 1mwa n SER 229 N 4.62 0.00 -4.70 1.64 3.41 -1.26 -5.15 113.62 112.18 1mwa n SER 229 Ca -0.04 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.15 1mwa n SER 229 Cb 0.41 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.35 1mwa n SER 229 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1mwa n PRO 230 N -0.08 2.14 -2.59 4.33 -0.02 -1.26 -4.93 135.00 132.59 1mwa n PRO 230 Ca 0.00 0.75 -0.43 0.00 -2.02 0.00 0.00 63.50 61.80 1mwa n PRO 230 Cb 0.00 -2.34 -0.02 0.00 -0.02 0.00 0.00 33.50 31.12 1mwa n PRO 230 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1mwa s LYS 231 N -1.76 4.25 -0.87 -0.52 2.20 -1.26 -4.93 119.74 116.86 1mwa s LYS 231 Ca 0.56 1.45 -0.26 0.00 -0.36 0.00 0.00 55.97 57.37 1mwa s LYS 231 Cb -0.57 -3.68 -0.17 0.00 -1.51 0.00 0.00 37.83 31.90 1mwa s LYS 231 CO 0.61 -0.65 2.33 -2.30 -0.36 0.00 0.00 175.35 174.98 1mwa n PRO 232 N 6.39 0.43 0.00 4.03 -0.02 -1.26 -4.91 135.00 139.65 1mwa n PRO 232 Ca 0.13 -1.06 0.00 0.00 -2.02 0.00 0.00 63.50 60.55 1mwa n PRO 232 Cb 0.46 -3.71 0.00 0.00 -0.02 0.00 0.00 33.50 30.22 1mwa n PRO 232 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1mwa n VAL 233 N 8.82 0.00 -0.78 -1.45 0.24 -1.26 -1.84 118.33 122.06 1mwa n VAL 233 Ca 0.46 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.68 1mwa n VAL 233 Cb 0.44 -1.23 -0.07 0.00 -1.47 0.00 0.00 33.84 31.51 1mwa n VAL 233 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1mwa n THR 234 N -0.15 2.52 -0.93 3.34 -1.04 -1.19 -3.44 114.28 113.41 1mwa n THR 234 Ca 0.00 -1.12 -0.30 0.00 -2.04 0.00 0.00 64.05 60.59 1mwa n THR 234 Cb 0.00 -1.68 0.24 0.00 -1.82 0.00 0.00 70.33 67.06 1mwa n THR 234 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1mwa s GLN 235 N 0.13 -1.11 -0.39 -2.82 -2.07 -1.26 -4.87 119.66 107.27 1mwa s GLN 235 Ca 0.32 0.20 0.08 0.00 -1.82 0.00 0.00 55.36 54.13 1mwa s GLN 235 Cb 0.16 -1.59 0.24 0.00 -1.09 0.00 0.00 33.01 30.74 1mwa s GLN 235 CO -0.01 -3.69 0.51 0.09 -1.32 0.00 0.00 175.29 170.87 1mwa n ASN 236 N -4.79 0.08 -4.49 12.60 4.13 -1.26 -3.21 115.26 118.32 1mwa n ASN 236 Ca 0.10 -2.67 -0.38 0.00 1.68 0.00 0.00 54.58 53.31 1mwa n ASN 236 Cb 0.58 -0.60 0.04 0.00 -1.54 0.00 0.00 39.78 38.26 1mwa n ASN 236 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 1mwa n ILE 237 N 1.52 2.43 -3.92 2.41 2.08 -1.25 -4.70 119.36 117.93 1mwa n ILE 237 Ca 0.22 -0.49 -0.10 0.00 0.56 0.00 0.00 62.75 62.93 1mwa n ILE 237 Cb 0.53 -0.75 -0.01 0.00 -0.75 0.00 0.00 39.64 38.66 1mwa n ILE 237 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 1mwa s SER 238 N -1.22 0.25 -0.27 4.38 1.04 -1.26 -2.32 113.70 114.29 1mwa s SER 238 Ca 0.69 -1.17 -0.18 0.00 0.48 0.00 0.00 55.95 55.77 1mwa s SER 238 Cb -0.43 0.75 0.08 0.00 0.10 0.00 0.00 66.02 66.52 1mwa s SER 238 CO 0.54 -1.48 0.69 0.00 0.98 0.00 0.00 173.24 173.97 1mwa s ALA 239 N -2.88 -1.84 0.33 5.32 0.00 -1.20 -4.85 121.76 116.64 1mwa s ALA 239 Ca 0.20 2.31 0.07 0.00 0.00 0.00 0.00 51.96 54.55 1mwa s ALA 239 Cb -0.03 -1.36 -0.06 0.00 0.00 0.00 0.00 23.12 21.67 1mwa s ALA 239 CO 0.13 -0.37 -0.05 -1.83 0.00 0.00 0.00 175.76 173.65 1mwa s GLU 240 N 1.33 1.72 0.41 0.00 4.04 -1.26 -3.00 118.70 121.94 1mwa s GLU 240 Ca -0.08 -1.90 0.05 0.00 0.04 0.00 0.00 54.97 53.08 1mwa s GLU 240 Cb -0.05 -1.40 -0.06 0.00 0.02 0.00 0.00 34.13 32.64 1mwa s GLU 240 CO -0.15 0.04 0.03 0.00 -1.84 0.00 0.00 175.26 173.35 1mwa s ALA 241 N -2.85 3.12 0.37 -0.84 0.00 -1.25 -5.03 121.76 115.27 1mwa s ALA 241 Ca 0.32 -1.77 0.07 0.00 0.00 0.00 0.00 51.96 50.57 1mwa s ALA 241 Cb 0.05 0.33 -0.03 0.00 0.00 0.00 0.00 23.12 23.47 1mwa s ALA 241 CO 0.15 -0.17 0.24 -0.46 0.00 0.00 0.00 175.76 175.52 1mwa s TRP 242 N -2.94 1.79 -0.32 0.00 -0.11 -1.26 -3.55 118.94 112.54 1mwa s TRP 242 Ca 0.29 -1.57 -0.15 0.00 1.22 0.00 0.00 56.10 55.88 1mwa s TRP 242 Cb 0.07 -0.87 -0.02 0.00 -1.50 0.00 0.00 33.47 31.16 1mwa s TRP 242 CO 0.14 -0.71 0.38 0.20 -4.62 0.00 0.00 176.95 172.34 1mwa s GLY 243 N -3.47 1.89 0.27 5.86 0.00 -1.17 -4.84 107.32 105.86 1mwa s GLY 243 Ca 0.34 -1.09 0.04 0.00 0.00 0.00 0.00 44.72 44.01 1mwa s GLY 243 CO 0.24 1.01 0.42 0.50 0.00 0.00 0.00 173.10 175.27 1mwa s ARG 244 N 2.07 3.45 0.33 2.90 3.00 -1.25 -4.40 118.95 125.06 1mwa s ARG 244 Ca 0.13 -0.63 -0.02 0.00 0.00 0.00 0.00 55.73 55.21 1mwa s ARG 244 Cb -0.16 -2.82 -0.04 0.00 0.00 0.00 0.00 34.95 31.92 1mwa s ARG 244 CO 0.11 0.35 0.57 0.00 0.00 0.00 0.00 175.30 176.33 1mwa s ALA 245 N -2.08 3.64 0.17 2.13 0.00 -1.26 -2.73 121.76 121.64 1mwa s ALA 245 Ca 0.36 -0.72 -0.33 0.00 0.00 0.00 0.00 51.96 51.26 1mwa s ALA 245 Cb -0.09 -2.24 -0.13 0.00 0.00 0.00 0.00 23.12 20.66 1mwa s ALA 245 CO 0.31 0.06 1.60 -0.25 0.00 0.00 0.00 175.76 177.49 1mwa n ASP 246 N -1.45 3.28 0.00 0.00 8.00 -1.26 -4.94 116.55 120.17 1mwa n ASP 246 Ca -0.03 1.08 0.00 0.00 0.71 0.00 0.00 54.79 56.55 1mwa n ASP 246 Cb 0.55 -1.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.19 1mwa n ASP 246 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81