#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uwe n ALA 2 N 0.00 2.79 -2.80 4.31 0.00 -1.26 -5.01 120.51 118.54 2uwe n ALA 2 Ca 0.00 0.40 -0.15 0.00 0.00 0.00 0.00 53.44 53.69 2uwe n ALA 2 Cb 0.00 -2.52 -0.14 0.00 0.00 0.00 0.00 19.45 16.79 2uwe n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2uwe s ALA 3 N 1.05 0.37 -0.02 0.00 0.00 -1.26 -5.04 121.76 116.85 2uwe s ALA 3 Ca 0.74 -0.18 0.04 0.00 0.00 0.00 0.00 51.96 52.56 2uwe s ALA 3 Cb -0.51 -0.10 -0.01 0.00 0.00 0.00 0.00 23.12 22.51 2uwe s ALA 3 CO 0.34 0.09 -0.13 0.08 0.00 0.00 0.00 175.76 176.13 2uwe s VAL 4 N -0.08 1.10 0.04 0.00 1.01 -1.26 -4.16 120.40 117.05 2uwe s VAL 4 Ca 0.01 -0.56 0.06 0.00 0.00 0.00 0.00 61.98 61.49 2uwe s VAL 4 Cb -0.02 -0.94 -0.02 0.00 0.00 0.00 0.00 36.38 35.40 2uwe s VAL 4 CO -0.00 0.32 -0.17 0.42 0.00 0.00 0.00 175.10 175.67 2uwe s THR 5 N -0.09 1.34 0.09 3.92 -4.23 -0.24 -4.26 115.64 112.16 2uwe s THR 5 Ca 0.01 -1.09 0.08 0.00 -1.18 0.00 0.00 61.69 59.51 2uwe s THR 5 Cb -0.08 -1.19 -0.03 0.00 1.34 0.00 0.00 72.50 72.54 2uwe s THR 5 CO 0.00 0.08 -0.22 -1.10 -0.54 0.00 0.00 174.62 172.85 2uwe s GLN 6 N -1.17 1.22 -0.11 3.99 -0.21 -1.26 -0.62 119.66 121.49 2uwe s GLN 6 Ca 0.04 -1.14 -0.09 0.00 0.02 0.00 0.00 55.36 54.19 2uwe s GLN 6 Cb -0.08 -1.48 0.03 0.00 1.00 0.00 0.00 33.01 32.49 2uwe s GLN 6 CO 0.02 0.35 0.29 -1.54 -2.12 0.00 0.00 175.29 172.29 2uwe s SER 7 N -1.77 -0.31 0.69 5.90 1.04 -0.93 -4.46 113.70 113.87 2uwe s SER 7 Ca 0.07 0.59 -0.11 0.00 0.48 0.00 0.00 55.95 56.98 2uwe s SER 7 Cb -0.10 0.57 0.01 0.00 0.10 0.00 0.00 66.02 66.60 2uwe s SER 7 CO 0.04 -0.12 1.07 -2.16 0.98 0.00 0.00 173.24 173.05 2uwe s PRO 8 N 0.42 2.98 0.42 4.02 0.04 -1.26 -0.77 135.00 140.85 2uwe s PRO 8 Ca -0.02 0.64 0.22 0.00 0.04 0.00 0.00 61.00 61.88 2uwe s PRO 8 Cb -0.04 -2.02 0.36 0.00 0.04 0.00 0.00 34.50 32.84 2uwe s PRO 8 CO -0.02 -0.99 1.61 0.00 0.04 0.00 0.00 177.00 177.64 2uwe h ARG 9 N -0.63 0.00 -2.92 4.56 2.47 -1.83 -3.43 114.38 112.61 2uwe h ARG 9 Ca -0.45 0.00 -0.15 0.00 -1.26 0.00 0.00 59.98 58.13 2uwe h ARG 9 Cb 1.23 0.00 -0.26 0.00 -1.65 0.00 0.00 29.97 29.30 2uwe h ARG 9 CO 0.62 0.08 -0.34 0.45 0.56 0.00 0.00 179.97 181.34 2uwe s SER 10 N -6.22 -0.35 -0.15 7.04 0.15 -1.26 -1.61 113.70 111.30 2uwe s SER 10 Ca 0.06 0.67 -0.08 0.00 0.70 0.00 0.00 55.95 57.31 2uwe s SER 10 Cb 0.06 0.65 0.05 0.00 -1.71 0.00 0.00 66.02 65.07 2uwe s SER 10 CO 0.68 -0.13 0.35 -0.75 1.20 0.00 0.00 173.24 174.59 2uwe s LYS 11 N 0.42 0.33 -0.20 5.44 2.47 -0.69 -4.98 119.74 122.54 2uwe s LYS 11 Ca -0.02 0.70 -0.04 0.00 -1.56 0.00 0.00 55.97 55.05 2uwe s LYS 11 Cb -0.04 -0.06 -0.02 0.00 -1.46 0.00 0.00 37.83 36.26 2uwe s LYS 11 CO -0.02 -0.16 -0.03 0.08 0.16 0.00 0.00 175.35 175.38 2uwe s VAL 12 N 1.37 3.72 0.19 4.02 1.01 -1.26 -2.01 120.40 127.44 2uwe s VAL 12 Ca -0.09 -0.39 0.07 0.00 0.00 0.00 0.00 61.98 61.57 2uwe s VAL 12 Cb -0.09 -2.67 -0.05 0.00 0.00 0.00 0.00 36.38 33.57 2uwe s VAL 12 CO -0.11 0.44 -0.14 0.00 0.00 0.00 0.00 175.10 175.28 2uwe s ALA 13 N 1.02 1.93 0.25 5.51 0.00 -0.42 -4.90 121.76 125.15 2uwe s ALA 13 Ca 0.01 -1.62 -0.00 0.00 0.00 0.00 0.00 51.96 50.35 2uwe s ALA 13 Cb -0.14 -0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 2uwe s ALA 13 CO 0.01 0.06 0.44 0.54 0.00 0.00 0.00 175.76 176.81 2uwe s VAL 14 N -2.91 5.17 0.05 0.00 0.11 -1.26 -0.51 120.40 121.05 2uwe s VAL 14 Ca 0.21 -0.39 -0.31 0.00 -2.93 0.00 0.00 61.98 58.56 2uwe s VAL 14 Cb -0.01 -3.77 -0.07 0.00 -1.53 0.00 0.00 36.38 31.00 2uwe s VAL 14 CO 0.06 -0.28 1.51 0.42 -3.33 0.00 0.00 175.10 173.47 2uwe s THR 15 N -2.00 3.31 0.00 5.04 -4.23 -0.53 -2.34 115.64 114.90 2uwe s THR 15 Ca 0.39 0.79 0.00 0.00 -1.18 0.00 0.00 61.69 61.69 2uwe s THR 15 Cb -0.10 -3.51 0.00 0.00 1.34 0.00 0.00 72.50 70.23 2uwe s THR 15 CO 0.31 0.01 0.00 0.61 -0.54 0.00 0.00 174.62 175.01 2uwe n GLY 16 N 3.77 0.63 3.89 3.99 0.00 0.67 -4.90 105.19 113.24 2uwe n GLY 16 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 2uwe n GLY 16 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2uwe s GLY 17 N -1.34 1.80 -0.20 -0.02 0.00 -0.99 -4.53 107.32 102.05 2uwe s GLY 17 Ca 0.00 -0.40 -0.24 0.00 0.00 0.00 0.00 44.72 44.08 2uwe s GLY 17 CO 0.00 -0.24 0.79 1.25 0.00 0.00 0.00 173.10 174.90 2uwe s LYS 18 N -3.96 4.24 -0.14 2.90 2.20 -1.24 -1.92 119.74 121.82 2uwe s LYS 18 Ca 0.48 0.91 0.01 0.00 -0.36 0.00 0.00 55.97 57.01 2uwe s LYS 18 Cb -0.10 -3.60 -0.00 0.00 -1.51 0.00 0.00 37.83 32.62 2uwe s LYS 18 CO 0.34 -0.37 -0.17 0.08 -0.36 0.00 0.00 175.35 174.86 2uwe s VAL 19 N 2.33 2.54 -0.19 4.02 1.01 0.42 -4.99 120.40 125.54 2uwe s VAL 19 Ca 0.35 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.52 2uwe s VAL 19 Cb -0.16 -2.05 0.03 0.00 0.00 0.00 0.00 36.38 34.19 2uwe s VAL 19 CO 0.10 0.53 -0.18 -0.89 0.00 0.00 0.00 175.10 174.66 2uwe s THR 20 N 0.69 2.03 -0.14 3.92 2.01 -1.26 0.52 115.64 123.40 2uwe s THR 20 Ca -0.08 -1.00 -0.06 0.00 0.31 0.00 0.00 61.69 60.86 2uwe s THR 20 Cb -0.16 -1.88 -0.04 0.00 0.01 0.00 0.00 72.50 70.44 2uwe s THR 20 CO 0.02 0.46 0.06 -0.76 -0.69 0.00 0.00 174.62 173.70 2uwe s LEU 21 N 1.28 3.84 0.02 4.42 1.43 0.10 -4.70 118.68 125.08 2uwe s LEU 21 Ca 0.03 0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.32 2uwe s LEU 21 Cb -0.14 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 2uwe s LEU 21 CO -0.12 0.27 -0.02 -0.44 0.23 0.00 0.00 176.35 176.27 2uwe s SER 22 N -0.23 4.93 -0.02 2.29 0.01 0.05 -0.24 113.70 120.50 2uwe s SER 22 Ca 0.08 -0.09 0.04 0.00 1.31 0.00 0.00 55.95 57.28 2uwe s SER 22 Cb -0.12 -1.22 -0.01 0.00 0.21 0.00 0.00 66.02 64.88 2uwe s SER 22 CO 0.01 0.26 -0.13 0.00 0.41 0.00 0.00 173.24 173.79 2uwe s HIS 24 N -0.17 0.29 -0.13 0.00 2.46 0.21 -2.08 115.29 115.88 2uwe s HIS 24 Ca 0.02 -0.04 -0.08 0.00 0.47 0.00 0.00 55.06 55.44 2uwe s HIS 24 Cb -0.07 -0.25 0.05 0.00 -0.13 0.00 0.00 32.58 32.18 2uwe s HIS 24 CO 0.00 -0.04 0.31 -1.14 -2.47 0.00 0.00 174.74 171.40 2uwe s GLN 25 N 0.25 0.30 -0.38 2.88 -0.44 -0.49 -1.08 119.66 120.69 2uwe s GLN 25 Ca -0.02 0.60 0.05 0.00 -2.50 0.00 0.00 55.36 53.49 2uwe s GLN 25 Cb -0.05 -0.04 0.46 0.00 -1.64 0.00 0.00 33.01 31.74 2uwe s GLN 25 CO -0.01 -0.14 1.43 0.25 0.50 0.00 0.00 175.29 177.32 2uwe n THR 26 N 4.01 2.80 1.16 -0.34 -2.24 -1.26 -4.41 114.28 114.00 2uwe n THR 26 Ca -0.22 -3.75 0.12 0.00 -2.27 0.00 0.00 64.05 57.93 2uwe n THR 26 Cb 0.55 -1.05 0.25 0.00 -2.10 0.00 0.00 70.33 67.97 2uwe n THR 26 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2uwe n ASN 27 N -0.81 1.28 -3.15 3.42 3.02 -1.26 -4.95 115.26 112.81 2uwe n ASN 27 Ca 0.47 -1.04 -0.21 0.00 -0.03 0.00 0.00 54.58 53.77 2uwe n ASN 27 Cb 0.89 0.26 0.06 0.00 -0.61 0.00 0.00 39.78 40.38 2uwe n ASN 27 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2uwe n ASN 28 N -0.53 -5.85 -4.84 6.41 5.15 -1.26 -5.02 115.26 109.32 2uwe n ASN 28 Ca 0.11 -0.44 -0.37 0.00 -0.60 0.00 0.00 54.58 53.28 2uwe n ASN 28 Cb 0.38 -4.50 -0.06 0.00 -0.53 0.00 0.00 39.78 35.07 2uwe n ASN 28 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 2uwe s HIS 29 N -3.26 3.60 -0.17 1.20 3.76 -1.26 -4.94 115.29 114.22 2uwe s HIS 29 Ca 0.48 0.63 0.21 0.00 -0.15 0.00 0.00 55.06 56.23 2uwe s HIS 29 Cb -0.21 -2.09 -0.11 0.00 1.11 0.00 0.00 32.58 31.28 2uwe s HIS 29 CO 0.60 0.62 0.85 -0.25 -0.85 0.00 0.00 174.74 175.70 2uwe n ASP 30 N 2.28 0.64 -4.70 1.40 8.00 -1.23 -4.83 116.55 118.11 2uwe n ASP 30 Ca -0.17 0.26 -0.36 0.00 0.71 0.00 0.00 54.79 55.23 2uwe n ASP 30 Cb 0.54 0.74 -0.09 0.00 -0.02 0.00 0.00 41.12 42.29 2uwe n ASP 30 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2uwe s TYR 31 N -3.28 3.36 0.04 1.24 1.51 -1.00 -3.42 117.35 115.81 2uwe s TYR 31 Ca -0.03 0.28 0.03 0.00 -1.01 0.00 0.00 57.07 56.34 2uwe s TYR 31 Cb 0.10 -2.21 -0.02 0.00 -0.11 0.00 0.00 41.96 39.72 2uwe s TYR 31 CO 0.82 0.18 -0.09 -1.64 -1.11 0.00 0.00 175.55 173.71 2uwe s MET 32 N 0.70 0.61 0.06 -0.62 -1.94 -0.26 -1.34 119.30 116.51 2uwe s MET 32 Ca 0.08 -0.74 0.02 0.00 -1.71 0.00 0.00 55.69 53.35 2uwe s MET 32 Cb -0.12 -0.47 -0.03 0.00 2.01 0.00 0.00 34.83 36.22 2uwe s MET 32 CO 0.01 0.10 -0.08 0.71 -0.01 0.00 0.00 175.02 175.75 2uwe s TYR 33 N -1.17 0.80 -0.09 -0.03 1.51 -0.27 -0.99 117.35 117.11 2uwe s TYR 33 Ca -0.06 -0.62 0.02 0.00 -1.01 0.00 0.00 57.07 55.40 2uwe s TYR 33 Cb -0.09 -0.47 0.01 0.00 -0.11 0.00 0.00 41.96 41.31 2uwe s TYR 33 CO 0.01 -0.08 -0.15 -1.58 -1.11 0.00 0.00 175.55 172.64 2uwe s TRP 34 N -2.05 1.81 0.19 2.71 0.52 -0.58 -1.61 118.94 119.92 2uwe s TRP 34 Ca -0.02 -0.78 0.10 0.00 0.02 0.00 0.00 56.10 55.42 2uwe s TRP 34 Cb -0.05 -1.31 -0.04 0.00 -1.15 0.00 0.00 33.47 30.91 2uwe s TRP 34 CO -0.01 -0.40 -0.22 0.71 0.02 0.00 0.00 176.95 177.06 2uwe s TYR 35 N 0.84 2.12 0.10 -1.98 1.51 0.20 -0.59 117.35 119.56 2uwe s TYR 35 Ca -0.10 -0.40 0.10 0.00 -1.01 0.00 0.00 57.07 55.66 2uwe s TYR 35 Cb -0.15 -1.05 -0.04 0.00 -0.11 0.00 0.00 41.96 40.61 2uwe s TYR 35 CO 0.01 0.45 -0.25 -0.98 -1.11 0.00 0.00 175.55 173.67 2uwe s ARG 36 N -2.74 1.58 -0.09 -0.62 1.70 -0.69 -0.66 118.95 117.43 2uwe s ARG 36 Ca 0.19 -1.25 0.04 0.00 -0.47 0.00 0.00 55.73 54.24 2uwe s ARG 36 Cb -0.07 -1.96 -0.00 0.00 -0.57 0.00 0.00 34.95 32.35 2uwe s ARG 36 CO 0.09 0.47 -0.23 -1.14 -1.08 0.00 0.00 175.30 173.41 2uwe s GLN 37 N -1.86 2.79 -0.24 3.89 0.74 0.98 -2.02 119.66 123.94 2uwe s GLN 37 Ca 0.14 -0.83 -0.01 0.00 0.05 0.00 0.00 55.36 54.71 2uwe s GLN 37 Cb -0.10 -2.17 0.03 0.00 1.10 0.00 0.00 33.01 31.87 2uwe s GLN 37 CO 0.06 0.20 -0.09 -0.51 -0.55 0.00 0.00 175.29 174.40 2uwe s ASP 38 N 0.27 4.18 -1.43 6.67 1.01 0.30 -2.36 116.67 125.31 2uwe s ASP 38 Ca -0.15 -0.93 -0.03 0.00 0.71 0.00 0.00 52.55 52.14 2uwe s ASP 38 Cb -0.17 -1.62 0.03 0.00 1.01 0.00 0.00 42.92 42.17 2uwe s ASP 38 CO 0.07 -0.12 0.57 0.41 0.21 0.00 0.00 175.17 176.31 2uwe n THR 39 N 4.62 -3.06 -1.68 -1.27 -1.04 -1.26 -1.13 114.28 109.47 2uwe n THR 39 Ca -0.17 -0.40 -0.14 0.00 -2.04 0.00 0.00 64.05 61.30 2uwe n THR 39 Cb 0.47 -2.82 -0.05 0.00 -1.82 0.00 0.00 70.33 66.11 2uwe n THR 39 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2uwe n GLY 40 N -1.80 0.98 3.12 3.41 0.00 -1.26 -5.00 105.19 104.63 2uwe n GLY 40 Ca -0.23 -0.32 -0.11 0.00 0.00 0.00 0.00 46.02 45.36 2uwe n GLY 40 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2uwe s HIS 41 N -2.59 0.09 0.12 1.61 3.76 -0.29 -5.12 115.29 112.86 2uwe s HIS 41 Ca 0.00 -0.25 0.00 0.00 -0.15 0.00 0.00 55.06 54.66 2uwe s HIS 41 Cb 0.00 -0.07 0.00 0.00 1.11 0.00 0.00 32.58 33.62 2uwe s HIS 41 CO 0.00 -0.32 0.00 0.41 -0.85 0.00 0.00 174.74 173.98 2uwe n GLY 42 N 1.18 -2.92 2.84 -2.22 0.00 -1.26 -0.54 105.19 102.27 2uwe n GLY 42 Ca -0.21 -1.28 -0.14 0.00 0.00 0.00 0.00 46.02 44.39 2uwe n GLY 42 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2uwe s LEU 43 N -4.00 -0.36 -0.15 0.99 2.96 -1.26 -4.23 118.68 112.63 2uwe s LEU 43 Ca 0.00 -1.22 -0.04 0.00 -0.22 0.00 0.00 54.13 52.65 2uwe s LEU 43 Cb 0.00 0.81 -0.03 0.00 0.50 0.00 0.00 46.19 47.47 2uwe s LEU 43 CO 0.00 -0.28 -0.00 -0.13 -1.32 0.00 0.00 176.35 174.62 2uwe s ARG 44 N 1.75 3.64 -0.13 1.98 0.52 -0.86 -4.90 118.95 120.95 2uwe s ARG 44 Ca 0.15 -0.45 -0.29 0.00 -0.52 0.00 0.00 55.73 54.61 2uwe s ARG 44 Cb -0.13 -2.98 -0.02 0.00 0.52 0.00 0.00 34.95 32.34 2uwe s ARG 44 CO -0.11 0.33 1.15 -1.17 0.02 0.00 0.00 175.30 175.52 2uwe s LEU 45 N 0.15 4.21 -0.13 2.53 2.96 -1.26 -1.70 118.68 125.44 2uwe s LEU 45 Ca 0.01 1.65 -0.09 0.00 -0.22 0.00 0.00 54.13 55.47 2uwe s LEU 45 Cb -0.13 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 42.98 2uwe s LEU 45 CO 0.02 -0.62 -0.18 -0.38 -1.32 0.00 0.00 176.35 173.87 2uwe n ILE 46 N 4.93 1.26 -3.99 6.68 5.41 0.25 -0.55 119.36 133.34 2uwe n ILE 46 Ca 0.11 0.24 -0.08 0.00 1.00 0.00 0.00 62.75 64.03 2uwe n ILE 46 Cb 0.46 -2.28 -0.09 0.00 -0.71 0.00 0.00 39.64 37.02 2uwe n ILE 46 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 2uwe s HIS 47 N -2.19 0.36 0.30 1.39 3.76 -1.25 -0.58 115.29 117.08 2uwe s HIS 47 Ca -0.15 -0.82 0.04 0.00 -0.15 0.00 0.00 55.06 53.98 2uwe s HIS 47 Cb 0.02 -0.25 -0.03 0.00 1.11 0.00 0.00 32.58 33.43 2uwe s HIS 47 CO 0.22 -0.42 0.26 1.52 -0.85 0.00 0.00 174.74 175.48 2uwe s TYR 48 N -3.59 1.55 -0.17 1.40 1.13 -0.23 -1.53 117.35 115.90 2uwe s TYR 48 Ca 0.04 -1.56 -0.13 0.00 -1.41 0.00 0.00 57.07 54.01 2uwe s TYR 48 Cb 0.05 -0.62 0.05 0.00 -1.10 0.00 0.00 41.96 40.34 2uwe s TYR 48 CO -0.09 -0.84 0.44 0.45 -2.51 0.00 0.00 175.55 173.00 2uwe s SER 49 N -3.31 -0.51 0.00 -0.18 0.15 -0.16 0.12 113.70 109.82 2uwe s SER 49 Ca 0.39 0.92 0.11 0.00 0.70 0.00 0.00 55.95 58.07 2uwe s SER 49 Cb 0.03 0.87 -0.09 0.00 -1.71 0.00 0.00 66.02 65.12 2uwe s SER 49 CO 0.23 -0.17 0.51 0.00 1.20 0.00 0.00 173.24 175.00 2uwe n TYR 50 N 3.53 0.00 -3.51 3.44 0.18 -1.26 -1.11 117.16 118.43 2uwe n TYR 50 Ca -0.18 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.47 2uwe n TYR 50 Cb 0.56 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.48 2uwe n TYR 50 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 2uwe s VAL 51 N -1.90 0.02 0.54 -3.48 0.11 -1.22 -4.46 120.40 110.00 2uwe s VAL 51 Ca 0.05 -0.15 -0.21 0.00 -2.93 0.00 0.00 61.98 58.74 2uwe s VAL 51 Cb 0.08 -1.01 -0.07 0.00 -1.53 0.00 0.00 36.38 33.86 2uwe s VAL 51 CO 0.41 -0.08 1.02 0.00 -3.33 0.00 0.00 175.10 173.11 2uwe n ALA 52 N 0.12 0.34 -0.93 1.54 0.00 -1.26 -2.74 120.51 117.58 2uwe n ALA 52 Ca -0.18 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2uwe n ALA 52 Cb 0.62 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.94 2uwe n ALA 52 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2uwe n ASP 53 N -0.35 -4.04 -4.05 0.00 8.00 0.21 -4.98 116.55 111.34 2uwe n ASP 53 Ca 0.12 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.41 2uwe n ASP 53 Cb 0.44 -2.40 -0.15 0.00 -0.02 0.00 0.00 41.12 39.00 2uwe n ASP 53 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2uwe s SER 54 N -2.06 1.33 0.07 -2.24 0.01 -1.11 -4.94 113.70 104.75 2uwe s SER 54 Ca 0.00 -0.21 0.05 0.00 1.31 0.00 0.00 55.95 57.11 2uwe s SER 54 Cb 0.00 -0.22 -0.03 0.00 0.21 0.00 0.00 66.02 65.98 2uwe s SER 54 CO 0.00 0.12 -0.15 0.42 0.41 0.00 0.00 173.24 174.04 2uwe s THR 55 N -0.11 1.18 0.14 1.44 -4.23 -1.26 -4.48 115.64 108.32 2uwe s THR 55 Ca 0.02 -1.26 0.11 0.00 -1.18 0.00 0.00 61.69 59.37 2uwe s THR 55 Cb -0.06 -1.11 -0.04 0.00 1.34 0.00 0.00 72.50 72.63 2uwe s THR 55 CO -0.00 -0.15 -0.26 -1.61 -0.54 0.00 0.00 174.62 172.06 2uwe s GLU 56 N -1.62 1.40 0.21 3.99 0.41 0.12 -4.99 118.70 118.23 2uwe s GLU 56 Ca -0.00 -1.37 -0.30 0.00 -0.41 0.00 0.00 54.97 52.89 2uwe s GLU 56 Cb -0.10 -1.85 -0.08 0.00 -1.78 0.00 0.00 34.13 30.32 2uwe s GLU 56 CO 0.02 0.43 0.99 0.15 -0.49 0.00 0.00 175.26 176.36 2uwe s LYS 57 N -2.18 4.76 0.00 1.61 1.02 -1.26 -1.07 119.74 122.62 2uwe s LYS 57 Ca 0.15 1.57 0.00 0.00 0.02 0.00 0.00 55.97 57.70 2uwe s LYS 57 Cb -0.10 -3.28 0.00 0.00 -0.52 0.00 0.00 37.83 33.93 2uwe s LYS 57 CO 0.07 0.35 0.00 0.41 -0.92 0.00 0.00 175.35 175.26 2uwe n GLY 58 N 1.65 1.58 0.10 -3.33 0.00 0.26 -4.78 105.19 100.67 2uwe n GLY 58 Ca -0.00 -1.73 -0.05 0.00 0.00 0.00 0.00 46.02 44.23 2uwe n GLY 58 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2uwe h ASP 59 N 0.00 0.04 -2.07 1.61 3.32 -1.01 -3.39 116.42 114.93 2uwe h ASP 59 Ca 0.00 -0.03 -0.56 0.00 0.02 0.00 0.00 57.03 56.46 2uwe h ASP 59 Cb 0.00 -0.01 -0.40 0.00 0.22 0.00 0.00 39.33 39.14 2uwe h ASP 59 CO 0.00 0.88 -0.96 2.30 -1.72 0.00 0.00 179.24 179.73 2uwe n ILE 60 N -3.55 0.46 0.23 0.35 -5.35 -0.61 -4.95 119.36 105.94 2uwe n ILE 60 Ca -0.01 -4.55 0.13 0.00 -0.27 0.00 0.00 62.75 58.05 2uwe n ILE 60 Cb 0.81 -1.63 0.27 0.00 -1.74 0.00 0.00 39.64 37.36 2uwe n ILE 60 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 2uwe h PRO 61 N 3.76 0.00 -6.34 6.28 0.13 -1.76 -3.42 132.00 130.65 2uwe h PRO 61 Ca 0.11 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.62 2uwe h PRO 61 Cb 0.81 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.97 2uwe h PRO 61 CO 0.59 0.03 0.93 -0.25 -0.23 0.00 0.00 178.00 179.07 2uwe n ASP 62 N -3.11 3.10 0.00 1.44 9.92 -1.26 -0.92 116.55 125.72 2uwe n ASP 62 Ca 0.03 1.03 0.00 0.00 -0.53 0.00 0.00 54.79 55.32 2uwe n ASP 62 Cb 0.49 -1.35 0.00 0.00 -0.64 0.00 0.00 41.12 39.62 2uwe n ASP 62 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2uwe n GLY 63 N 3.92 0.98 3.27 0.44 0.00 -1.26 -5.05 105.19 107.49 2uwe n GLY 63 Ca 0.21 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.97 2uwe n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2uwe s TYR 65 N -2.41 1.86 0.10 1.61 2.02 -0.09 -4.39 117.35 116.05 2uwe s TYR 65 Ca 0.00 -0.39 0.07 0.00 -0.37 0.00 0.00 57.07 56.39 2uwe s TYR 65 Cb 0.00 -1.09 -0.03 0.00 -0.40 0.00 0.00 41.96 40.44 2uwe s TYR 65 CO 0.00 0.12 -0.19 0.15 -1.57 0.00 0.00 175.55 174.06 2uwe s LYS 66 N -1.35 1.05 0.14 -0.62 1.02 -0.43 -4.95 119.74 114.59 2uwe s LYS 66 Ca 0.08 -1.12 0.10 0.00 0.02 0.00 0.00 55.97 55.05 2uwe s LYS 66 Cb -0.09 -1.24 -0.04 0.00 -0.52 0.00 0.00 37.83 35.94 2uwe s LYS 66 CO 0.02 0.29 -0.24 0.00 -0.92 0.00 0.00 175.35 174.50 2uwe s ALA 67 N -1.22 2.24 -0.04 5.17 0.00 -1.26 0.07 121.76 126.72 2uwe s ALA 67 Ca 0.05 -1.45 0.00 0.00 0.00 0.00 0.00 51.96 50.56 2uwe s ALA 67 Cb -0.10 -0.32 0.03 0.00 0.00 0.00 0.00 23.12 22.72 2uwe s ALA 67 CO 0.04 0.46 0.00 0.45 0.00 0.00 0.00 175.76 176.71 2uwe s SER 68 N -2.18 0.64 -0.72 0.00 0.15 -0.68 -4.87 113.70 106.06 2uwe s SER 68 Ca 0.14 -0.03 0.02 0.00 0.70 0.00 0.00 55.95 56.78 2uwe s SER 68 Cb -0.09 -0.25 0.17 0.00 -1.71 0.00 0.00 66.02 64.14 2uwe s SER 68 CO 0.06 -0.12 0.52 -0.60 1.20 0.00 0.00 173.24 174.31 2uwe s ARG 69 N 1.21 2.60 0.54 5.44 6.06 -1.26 -0.15 118.95 133.39 2uwe s ARG 69 Ca -0.07 -3.14 0.33 0.00 -2.50 0.00 0.00 55.73 50.35 2uwe s ARG 69 Cb -0.13 -3.57 1.31 0.00 0.06 0.00 0.00 34.95 32.62 2uwe s ARG 69 CO -0.02 -1.24 1.97 -1.00 -2.50 0.00 0.00 175.30 172.50 2uwe h PRO 70 N 5.88 0.00 -3.13 5.12 0.13 -1.97 0.59 132.00 138.62 2uwe h PRO 70 Ca 0.10 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.20 2uwe h PRO 70 Cb 0.81 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.92 2uwe h PRO 70 CO 0.75 0.02 0.21 -1.54 -0.23 0.00 0.00 178.00 177.21 2uwe s SER 71 N -5.75 0.05 0.33 1.44 1.04 -1.26 -4.69 113.70 104.88 2uwe s SER 71 Ca 0.01 -1.10 0.04 0.00 0.48 0.00 0.00 55.95 55.39 2uwe s SER 71 Cb 0.09 0.81 0.60 0.00 0.10 0.00 0.00 66.02 67.62 2uwe s SER 71 CO 0.55 -1.59 1.88 -0.61 0.98 0.00 0.00 173.24 174.45 2uwe h GLN 72 N 2.02 0.54 0.00 4.02 4.15 -1.93 -3.22 115.11 120.69 2uwe h GLN 72 Ca -0.30 -0.11 -0.20 0.00 0.77 0.00 0.00 58.65 58.81 2uwe h GLN 72 Cb 1.25 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.83 2uwe h GLN 72 CO 0.38 0.56 -1.17 1.05 -1.93 0.00 0.00 178.83 177.72 2uwe h GLU 73 N 0.52 0.00 -5.91 1.69 9.09 -1.88 -3.46 114.58 114.63 2uwe h GLU 73 Ca 0.11 0.00 -0.67 0.00 0.05 0.00 0.00 59.36 58.85 2uwe h GLU 73 Cb 0.32 0.00 -0.23 0.00 -1.65 0.00 0.00 28.75 27.19 2uwe h GLU 73 CO 0.01 0.62 -0.73 -0.80 0.05 0.00 0.00 179.01 178.15 2uwe s ASN 74 N -6.30 4.31 -0.23 3.06 0.02 -1.22 -1.40 114.94 113.18 2uwe s ASN 74 Ca -0.01 -0.16 -0.03 0.00 -1.02 0.00 0.00 52.86 51.64 2uwe s ASN 74 Cb 0.09 -1.24 0.10 0.00 0.02 0.00 0.00 41.25 40.22 2uwe s ASN 74 CO 0.80 0.29 0.21 0.12 0.02 0.00 0.00 177.10 178.55 2uwe s PHE 75 N -0.37 -0.20 0.05 2.20 5.36 -0.88 -3.78 117.98 120.35 2uwe s PHE 75 Ca 0.05 -0.04 -0.09 0.00 -0.96 0.00 0.00 56.93 55.89 2uwe s PHE 75 Cb -0.12 -0.48 -0.05 0.00 -0.34 0.00 0.00 43.02 42.03 2uwe s PHE 75 CO 0.02 -0.69 0.35 -1.12 -1.46 0.00 0.00 175.22 172.32 2uwe s SER 76 N 2.29 6.59 -0.17 6.13 0.01 0.78 -2.49 113.70 126.84 2uwe s SER 76 Ca 0.07 0.70 -0.02 0.00 1.31 0.00 0.00 55.95 58.02 2uwe s SER 76 Cb -0.15 -2.14 -0.01 0.00 0.21 0.00 0.00 66.02 63.92 2uwe s SER 76 CO -0.19 0.21 -0.09 -0.22 0.41 0.00 0.00 173.24 173.35 2uwe s LEU 77 N -1.84 2.80 -0.19 2.44 2.96 0.67 -1.68 118.68 123.84 2uwe s LEU 77 Ca 0.31 -0.35 -0.01 0.00 -0.22 0.00 0.00 54.13 53.86 2uwe s LEU 77 Cb -0.14 -1.67 0.01 0.00 0.50 0.00 0.00 46.19 44.89 2uwe s LEU 77 CO 0.17 0.08 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.51 2uwe s ILE 78 N 0.86 2.55 -0.41 6.68 1.01 0.11 0.03 121.20 132.03 2uwe s ILE 78 Ca -0.03 -0.78 -0.12 0.00 0.00 0.00 0.00 60.65 59.73 2uwe s ILE 78 Cb -0.15 -2.11 0.04 0.00 0.01 0.00 0.00 42.46 40.26 2uwe s ILE 78 CO 0.01 0.50 0.27 -0.76 0.00 0.00 0.00 174.94 174.95 2uwe s LEU 79 N 1.32 5.03 -0.02 2.97 1.43 0.18 -1.31 118.68 128.28 2uwe s LEU 79 Ca 0.04 -1.14 -0.25 0.00 -1.03 0.00 0.00 54.13 51.75 2uwe s LEU 79 Cb -0.14 -2.07 -0.20 0.00 0.03 0.00 0.00 46.19 43.82 2uwe s LEU 79 CO -0.09 -0.47 1.22 -0.33 0.23 0.00 0.00 176.35 176.91 2uwe h GLU 80 N 8.52 -0.05 -4.20 1.70 4.39 -1.83 0.12 114.58 123.24 2uwe h GLU 80 Ca -0.26 0.00 -0.64 0.00 0.34 0.00 0.00 59.36 58.81 2uwe h GLU 80 Cb 1.10 0.01 -0.40 0.00 -0.10 0.00 0.00 28.75 29.36 2uwe h GLU 80 CO 0.73 0.43 -0.72 -0.51 -1.16 0.00 0.00 179.01 177.78 2uwe s LEU 81 N -9.21 4.00 0.28 1.33 1.43 -1.26 -3.62 118.68 111.63 2uwe s LEU 81 Ca -0.16 -2.13 -0.29 0.00 -1.03 0.00 0.00 54.13 50.52 2uwe s LEU 81 Cb 0.01 -1.41 -0.10 0.00 0.03 0.00 0.00 46.19 44.72 2uwe s LEU 81 CO 0.65 -0.37 1.36 0.00 0.23 0.00 0.00 176.35 178.22 2uwe s ALA 82 N 0.94 3.55 0.19 4.21 0.00 -0.81 -4.67 121.76 125.17 2uwe s ALA 82 Ca 0.12 1.27 0.06 0.00 0.00 0.00 0.00 51.96 53.41 2uwe s ALA 82 Cb -0.19 -3.51 -0.05 0.00 0.00 0.00 0.00 23.12 19.37 2uwe s ALA 82 CO -0.11 -0.67 -0.11 -1.54 0.00 0.00 0.00 175.76 173.33 2uwe s SER 83 N -0.05 2.20 0.61 0.00 1.04 -1.26 -0.24 113.70 116.00 2uwe s SER 83 Ca 0.54 -1.05 0.32 0.00 0.48 0.00 0.00 55.95 56.25 2uwe s SER 83 Cb -0.40 -0.07 1.86 0.00 0.10 0.00 0.00 66.02 67.51 2uwe s SER 83 CO 0.47 -0.28 2.19 -0.07 0.98 0.00 0.00 173.24 176.54 2uwe h LEU 84 N 2.62 0.00 -0.52 2.42 3.38 -1.96 -1.01 115.31 120.24 2uwe h LEU 84 Ca -0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.59 2uwe h LEU 84 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2uwe h LEU 84 CO 0.63 0.00 0.00 0.77 0.09 0.00 0.00 178.44 179.93 2uwe h SER 85 N 0.00 0.00 -0.25 -0.43 4.64 -1.96 -3.18 113.55 112.37 2uwe h SER 85 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2uwe h SER 85 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2uwe h SER 85 CO -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 2uwe n GLN 86 N -2.37 2.21 -1.90 4.77 6.02 -0.38 -4.84 117.38 120.89 2uwe n GLN 86 Ca 0.03 -1.80 -0.43 0.00 -0.01 0.00 0.00 57.00 54.79 2uwe n GLN 86 Cb 0.31 -1.47 -0.03 0.00 1.02 0.00 0.00 30.24 30.08 2uwe n GLN 86 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2uwe s THR 87 N -1.69 3.38 0.08 5.09 2.01 -1.20 -4.85 115.64 118.45 2uwe s THR 87 Ca 0.35 0.42 -0.25 0.00 0.31 0.00 0.00 61.69 62.52 2uwe s THR 87 Cb 0.21 -3.40 0.09 0.00 0.01 0.00 0.00 72.50 69.40 2uwe s THR 87 CO 0.30 -0.18 1.17 0.00 -0.69 0.00 0.00 174.62 175.21 2uwe s ALA 88 N 6.02 -2.05 -0.25 7.40 0.00 -0.77 -4.99 121.76 127.13 2uwe s ALA 88 Ca 0.83 -0.16 -0.10 0.00 0.00 0.00 0.00 51.96 52.52 2uwe s ALA 88 Cb -0.30 0.84 -0.05 0.00 0.00 0.00 0.00 23.12 23.61 2uwe s ALA 88 CO 0.33 -1.11 0.16 0.08 0.00 0.00 0.00 175.76 175.22 2uwe s VAL 89 N -2.07 5.29 -0.21 0.00 1.01 -1.00 -1.20 120.40 122.23 2uwe s VAL 89 Ca 0.26 0.16 -0.06 0.00 0.00 0.00 0.00 61.98 62.33 2uwe s VAL 89 Cb -0.02 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 2uwe s VAL 89 CO 0.02 0.33 0.04 -0.31 0.00 0.00 0.00 175.10 175.18 2uwe s TYR 90 N 1.18 3.11 -0.10 5.22 1.51 0.67 -0.01 117.35 128.93 2uwe s TYR 90 Ca 0.07 -0.27 -0.00 0.00 -1.01 0.00 0.00 57.07 55.86 2uwe s TYR 90 Cb -0.14 -2.12 -0.03 0.00 -0.11 0.00 0.00 41.96 39.56 2uwe s TYR 90 CO 0.05 -0.15 -0.08 -0.06 -1.11 0.00 0.00 175.55 174.21 2uwe s PHE 91 N 0.97 2.92 0.03 2.71 0.40 0.17 -0.39 117.98 124.79 2uwe s PHE 91 Ca 0.03 -0.21 0.02 0.00 -0.60 0.00 0.00 56.93 56.17 2uwe s PHE 91 Cb -0.14 -1.80 -0.04 0.00 0.51 0.00 0.00 43.02 41.55 2uwe s PHE 91 CO 0.02 0.11 0.03 0.00 0.70 0.00 0.00 175.22 176.09 2uwe s ALA 93 N -1.21 1.69 0.02 0.00 0.00 -0.64 0.47 121.76 122.09 2uwe s ALA 93 Ca 0.23 -1.74 -0.05 0.00 0.00 0.00 0.00 51.96 50.40 2uwe s ALA 93 Cb -0.12 0.60 -0.01 0.00 0.00 0.00 0.00 23.12 23.60 2uwe s ALA 93 CO 0.15 -0.30 0.09 -1.54 0.00 0.00 0.00 175.76 174.15 2uwe s SER 94 N -3.28 0.13 0.13 0.00 1.04 -0.23 -1.11 113.70 110.38 2uwe s SER 94 Ca 0.29 -0.39 -0.14 0.00 0.48 0.00 0.00 55.95 56.18 2uwe s SER 94 Cb 0.06 0.19 0.02 0.00 0.10 0.00 0.00 66.02 66.40 2uwe s SER 94 CO 0.08 -0.41 0.37 -0.94 0.98 0.00 0.00 173.24 173.32 2uwe s SER 95 N -1.68 -0.15 0.08 7.02 1.04 -0.45 -0.46 113.70 119.10 2uwe s SER 95 Ca -0.11 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 55.88 2uwe s SER 95 Cb -0.06 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.52 2uwe s SER 95 CO -0.01 -0.86 0.00 -0.90 0.98 0.00 0.00 173.24 172.45 2uwe n ASP 96 N -0.21 0.00 0.27 7.02 5.68 -1.26 -2.37 116.55 125.68 2uwe n ASP 96 Ca -0.14 -0.11 0.11 0.00 -0.50 0.00 0.00 54.79 54.15 2uwe n ASP 96 Cb 0.63 0.00 0.77 0.00 -1.14 0.00 0.00 41.12 41.38 2uwe n ASP 96 CO 0.00 0.00 0.00 4.11 -1.33 0.00 0.00 177.20 179.98 2uwe h TRP 97 N -0.08 0.00 0.00 2.11 5.08 -1.98 -3.16 115.95 117.92 2uwe h TRP 97 Ca 0.00 0.00 -0.63 0.00 1.08 0.00 0.00 58.89 59.34 2uwe h TRP 97 Cb 0.00 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 26.17 2uwe h TRP 97 CO 0.00 0.02 2.84 0.28 -1.28 0.00 0.00 178.44 180.30 2uwe n VAL 98 N -4.13 2.80 1.67 0.12 0.31 -1.26 -4.74 118.33 113.10 2uwe n VAL 98 Ca -0.03 -2.17 0.00 0.00 -0.01 0.00 0.00 64.34 62.13 2uwe n VAL 98 Cb 0.11 -2.43 0.00 0.00 -0.91 0.00 0.00 33.84 30.61 2uwe n VAL 98 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2uwe n SER 99 N 5.96 0.08 0.07 4.52 3.41 -1.20 -2.26 113.62 124.20 2uwe n SER 99 Ca 0.53 -1.75 0.11 0.00 -0.26 0.00 0.00 58.87 57.51 2uwe n SER 99 Cb 0.33 -0.04 0.02 0.00 -0.26 0.00 0.00 64.21 64.27 2uwe n SER 99 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2uwe n TYR 100 N -0.45 0.63 -3.32 7.33 0.18 -1.26 -4.54 117.16 115.73 2uwe n TYR 100 Ca 0.00 0.18 -0.46 0.00 1.88 0.00 0.00 57.90 59.50 2uwe n TYR 100 Cb 0.02 -0.73 -0.05 0.00 -0.38 0.00 0.00 39.34 38.20 2uwe n TYR 100 CO 0.00 0.00 0.00 -2.00 -2.08 0.00 0.00 176.86 172.78 2uwe s GLU 105 N -3.30 3.04 -0.14 -3.48 2.12 -0.96 -5.05 118.70 110.93 2uwe s GLU 105 Ca 0.01 -1.79 -0.03 0.00 0.36 0.00 0.00 54.97 53.53 2uwe s GLU 105 Cb 0.12 -4.31 -0.03 0.00 0.26 0.00 0.00 34.13 30.18 2uwe s GLU 105 CO 0.79 -1.32 -0.05 -0.65 -0.54 0.00 0.00 175.26 173.48 2uwe s GLN 106 N 1.45 3.51 -0.26 4.30 -0.21 -1.26 -4.62 119.66 122.56 2uwe s GLN 106 Ca 0.05 -0.54 -0.12 0.00 0.02 0.00 0.00 55.36 54.76 2uwe s GLN 106 Cb -0.28 -2.83 -0.05 0.00 1.00 0.00 0.00 33.01 30.85 2uwe s GLN 106 CO 0.02 0.30 0.25 0.71 -2.12 0.00 0.00 175.29 174.45 2uwe s TYR 107 N 0.19 3.27 0.17 0.91 1.51 0.40 -4.86 117.35 118.93 2uwe s TYR 107 Ca -0.03 0.28 -0.09 0.00 -1.01 0.00 0.00 57.07 56.22 2uwe s TYR 107 Cb -0.14 -2.41 -0.06 0.00 -0.11 0.00 0.00 41.96 39.24 2uwe s TYR 107 CO 0.03 -0.09 0.48 -0.06 -1.11 0.00 0.00 175.55 174.80 2uwe s PHE 108 N 1.56 3.49 0.87 2.71 0.40 -1.26 -1.07 117.98 124.68 2uwe s PHE 108 Ca 0.11 0.80 -0.13 0.00 -0.60 0.00 0.00 56.93 57.11 2uwe s PHE 108 Cb -0.15 -2.19 0.12 0.00 0.51 0.00 0.00 43.02 41.31 2uwe s PHE 108 CO 0.08 0.38 1.17 0.20 0.70 0.00 0.00 175.22 177.76 2uwe s GLY 109 N -2.18 1.60 0.36 4.36 0.00 0.18 -4.52 107.32 107.11 2uwe s GLY 109 Ca 0.42 -0.65 0.27 0.00 0.00 0.00 0.00 44.72 44.76 2uwe s GLY 109 CO 0.21 -0.10 1.81 -0.56 0.00 0.00 0.00 173.10 174.46 2uwe h PRO 110 N -1.32 0.00 0.00 2.90 0.13 -1.89 -3.44 132.00 128.39 2uwe h PRO 110 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2uwe h PRO 110 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 2uwe h PRO 110 CO 0.61 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.79 2uwe n GLY 111 N -0.05 2.27 3.01 1.56 0.00 -1.26 -5.04 105.19 105.69 2uwe n GLY 111 Ca 0.01 -1.78 -0.30 0.00 0.00 0.00 0.00 46.02 43.95 2uwe n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2uwe s THR 112 N -2.23 1.58 -0.34 2.61 2.01 0.47 -4.68 115.64 115.06 2uwe s THR 112 Ca 0.00 -0.70 -0.24 0.00 0.31 0.00 0.00 61.69 61.06 2uwe s THR 112 Cb 0.00 -1.52 0.01 0.00 0.01 0.00 0.00 72.50 71.00 2uwe s THR 112 CO 0.00 0.41 0.83 -0.60 -0.69 0.00 0.00 174.62 174.57 2uwe s ARG 113 N 1.47 3.86 -0.07 4.92 3.52 -0.63 -0.24 118.95 131.79 2uwe s ARG 113 Ca 0.04 0.50 0.05 0.00 -0.13 0.00 0.00 55.73 56.19 2uwe s ARG 113 Cb -0.13 -3.78 -0.01 0.00 -1.56 0.00 0.00 34.95 29.47 2uwe s ARG 113 CO -0.10 -0.81 -0.22 -1.17 -0.81 0.00 0.00 175.30 172.19 2uwe s LEU 114 N 3.15 2.27 -0.08 -0.88 2.96 -0.34 -1.70 118.68 124.06 2uwe s LEU 114 Ca 0.34 -0.43 0.00 0.00 -0.22 0.00 0.00 54.13 53.82 2uwe s LEU 114 Cb -0.13 -1.44 0.02 0.00 0.50 0.00 0.00 46.19 45.14 2uwe s LEU 114 CO 0.16 0.25 -0.07 -0.89 -1.32 0.00 0.00 176.35 174.48 2uwe s THR 115 N -0.19 0.85 -0.18 3.68 2.01 -0.85 -1.84 115.64 119.11 2uwe s THR 115 Ca -0.02 -0.24 -0.08 0.00 0.31 0.00 0.00 61.69 61.66 2uwe s THR 115 Cb -0.14 -0.86 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 2uwe s THR 115 CO 0.03 0.32 0.07 -0.69 -0.69 0.00 0.00 174.62 173.66 2uwe s VAL 116 N 1.31 4.84 0.10 3.82 1.01 -1.26 -1.30 120.40 128.92 2uwe s VAL 116 Ca -0.04 -0.02 0.09 0.00 0.00 0.00 0.00 61.98 62.01 2uwe s VAL 116 Cb -0.14 -3.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 2uwe s VAL 116 CO -0.03 0.46 -0.22 -0.76 0.00 0.00 0.00 175.10 174.55 2uwe s LEU 116 N 0.37 2.28 0.23 3.92 1.43 0.33 -4.70 118.68 122.54 2uwe s LEU 116 Ca 0.03 -0.67 -0.00 0.00 -1.03 0.00 0.00 54.13 52.46 2uwe s LEU 116 Cb -0.12 -0.97 0.24 0.00 0.03 0.00 0.00 46.19 45.37 2uwe s LEU 116 CO -0.00 0.10 1.60 -0.33 0.23 0.00 0.00 176.35 177.95 2uwe h GLU 117 N 4.17 0.51 -3.51 1.70 4.39 -1.95 -1.40 114.58 118.50 2uwe h GLU 117 Ca -0.47 -0.26 -0.36 0.00 0.34 0.00 0.00 59.36 58.61 2uwe h GLU 117 Cb 1.17 0.01 -0.37 0.00 -0.10 0.00 0.00 28.75 29.47 2uwe h GLU 117 CO 0.40 0.84 -0.74 0.34 -1.16 0.00 0.00 179.01 178.69 2uwe s ASP 118 N -6.86 0.82 0.00 1.42 2.15 -1.26 -4.58 116.67 108.36 2uwe s ASP 118 Ca -0.07 0.02 0.26 0.00 0.43 0.00 0.00 52.55 53.19 2uwe s ASP 118 Cb 0.12 -0.19 1.17 0.00 -0.30 0.00 0.00 42.92 43.72 2uwe s ASP 118 CO 0.82 -0.18 1.85 0.18 -0.17 0.00 0.00 175.17 177.67 2uwe n LEU 119 N 4.77 0.00 0.18 -1.34 4.77 -1.26 -3.20 117.00 120.92 2uwe n LEU 119 Ca -0.14 0.44 0.14 0.00 -0.03 0.00 0.00 56.01 56.41 2uwe n LEU 119 Cb 0.50 -0.44 0.58 0.00 -2.33 0.00 0.00 43.42 41.73 2uwe n LEU 119 CO 0.14 -0.05 0.90 0.03 -1.33 0.00 0.00 177.39 177.08 2uwe h ARG 120 N 0.00 0.00 0.00 3.23 3.08 -1.97 -2.66 114.38 116.06 2uwe h ARG 120 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2uwe h ARG 120 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 2uwe h ARG 120 CO 0.00 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 178.99 2uwe n ASN 121 N -2.48 0.63 -4.67 7.04 3.02 -1.19 -4.83 115.26 112.78 2uwe n ASN 121 Ca 0.01 0.57 -0.42 0.00 -0.03 0.00 0.00 54.58 54.71 2uwe n ASN 121 Cb 0.22 -0.73 -0.03 0.00 -0.61 0.00 0.00 39.78 38.63 2uwe n ASN 121 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2uwe s VAL 122 N -3.10 3.64 -0.07 2.41 1.01 -1.01 -4.70 120.40 118.58 2uwe s VAL 122 Ca 0.11 0.91 -0.06 0.00 0.00 0.00 0.00 61.98 62.93 2uwe s VAL 122 Cb 0.13 -3.59 0.02 0.00 0.00 0.00 0.00 36.38 32.95 2uwe s VAL 122 CO 0.56 -0.04 0.19 0.28 0.00 0.00 0.00 175.10 176.09 2uwe s THR 123 N 3.23 -0.00 0.74 3.92 -1.32 -0.68 -4.73 115.64 116.80 2uwe s THR 123 Ca 0.68 0.01 -0.11 0.00 -1.21 0.00 0.00 61.69 61.06 2uwe s THR 123 Cb -0.32 -0.27 0.03 0.00 -1.51 0.00 0.00 72.50 70.43 2uwe s THR 123 CO 0.27 0.00 1.08 -2.84 -2.21 0.00 0.00 174.62 170.92 2uwe s PRO 124 N 0.17 2.58 0.51 7.08 0.02 -1.26 -1.57 135.00 142.53 2uwe s PRO 124 Ca -0.01 0.80 -0.19 0.00 0.02 0.00 0.00 61.00 61.63 2uwe s PRO 124 Cb -0.02 -1.96 -0.08 0.00 0.02 0.00 0.00 34.50 32.46 2uwe s PRO 124 CO -0.00 -1.31 1.03 -1.25 -0.33 0.00 0.00 177.00 175.13 2uwe s PRO 125 N -5.10 3.75 -0.26 5.54 0.04 -1.26 -4.25 135.00 133.46 2uwe s PRO 125 Ca 0.59 1.26 -0.14 0.00 0.04 0.00 0.00 61.00 62.75 2uwe s PRO 125 Cb -0.14 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 2uwe s PRO 125 CO 0.55 -0.46 0.31 0.15 0.04 0.00 0.00 177.00 177.59 2uwe s LYS 126 N -3.50 4.03 -0.20 4.56 -0.14 0.14 -4.90 119.74 119.73 2uwe s LYS 126 Ca 0.65 -0.05 -0.07 0.00 -1.36 0.00 0.00 55.97 55.14 2uwe s LYS 126 Cb -0.15 -3.62 -0.04 0.00 -1.68 0.00 0.00 37.83 32.34 2uwe s LYS 126 CO 0.24 -0.18 0.06 0.08 -0.76 0.00 0.00 175.35 174.79 2uwe s VAL 127 N 1.76 4.54 -0.02 3.17 1.01 -1.26 -1.51 120.40 128.09 2uwe s VAL 127 Ca 0.13 -0.11 0.07 0.00 0.00 0.00 0.00 61.98 62.07 2uwe s VAL 127 Cb -0.15 -3.07 -0.02 0.00 0.00 0.00 0.00 36.38 33.14 2uwe s VAL 127 CO 0.09 0.42 -0.22 -0.44 0.00 0.00 0.00 175.10 174.95 2uwe s SER 128 N 0.81 2.64 -0.29 3.32 0.01 -0.80 -4.62 113.70 114.78 2uwe s SER 128 Ca 0.03 -0.41 -0.05 0.00 1.31 0.00 0.00 55.95 56.82 2uwe s SER 128 Cb -0.14 -0.37 0.02 0.00 0.21 0.00 0.00 66.02 65.75 2uwe s SER 128 CO 0.02 0.26 0.05 -0.22 0.41 0.00 0.00 173.24 173.77 2uwe s LEU 129 N -0.45 3.78 -0.26 2.44 2.96 -1.26 -0.92 118.68 124.97 2uwe s LEU 129 Ca 0.07 -0.82 -0.18 0.00 -0.22 0.00 0.00 54.13 52.97 2uwe s LEU 129 Cb -0.09 -1.83 -0.03 0.00 0.50 0.00 0.00 46.19 44.74 2uwe s LEU 129 CO -0.00 -0.20 0.53 -0.36 -1.32 0.00 0.00 176.35 175.00 2uwe s PHE 130 N 1.44 3.28 0.47 5.38 0.40 0.51 -4.98 117.98 124.47 2uwe s PHE 130 Ca 0.01 0.68 -0.21 0.00 -0.60 0.00 0.00 56.93 56.81 2uwe s PHE 130 Cb -0.17 -2.74 -0.09 0.00 0.51 0.00 0.00 43.02 40.53 2uwe s PHE 130 CO 0.01 -0.28 1.02 -1.21 0.70 0.00 0.00 175.22 175.46 2uwe s GLU 131 N 2.29 3.93 0.77 0.44 2.02 -1.26 -2.00 118.70 124.89 2uwe s GLU 131 Ca 0.22 1.32 -0.15 0.00 0.02 0.00 0.00 54.97 56.38 2uwe s GLU 131 Cb -0.16 -2.15 0.02 0.00 0.10 0.00 0.00 34.13 31.94 2uwe s GLU 131 CO 0.09 -0.32 0.83 -2.30 0.02 0.00 0.00 175.26 173.59 2uwe n PRO 132 N -0.82 0.28 -2.91 0.39 -0.02 -1.25 -4.92 135.00 125.76 2uwe n PRO 132 Ca 0.08 0.15 -0.40 0.00 -2.02 0.00 0.00 63.50 61.31 2uwe n PRO 132 Cb 0.53 -2.12 -0.04 0.00 -0.02 0.00 0.00 33.50 31.84 2uwe n PRO 132 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2uwe s SER 133 N -1.75 7.21 0.47 2.55 0.15 -1.26 -4.96 113.70 116.11 2uwe s SER 133 Ca 0.69 1.46 0.20 0.00 0.70 0.00 0.00 55.95 59.00 2uwe s SER 133 Cb -0.32 -2.49 1.17 0.00 -1.71 0.00 0.00 66.02 62.67 2uwe s SER 133 CO 0.55 -0.10 2.00 0.11 1.20 0.00 0.00 173.24 177.00 2uwe h LYS 134 N 6.26 0.00 -0.26 5.44 1.57 -1.97 -2.04 116.57 125.57 2uwe h LYS 134 Ca -0.42 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.25 2uwe h LYS 134 Cb 1.21 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.50 2uwe h LYS 134 CO 0.73 0.18 -0.31 0.00 -0.57 0.00 0.00 179.45 179.49 2uwe h ALA 135 N 1.82 0.99 -0.27 3.86 0.00 -1.98 -1.72 119.26 121.96 2uwe h ALA 135 Ca -0.00 -0.38 -0.13 0.00 0.00 0.00 0.00 54.91 54.39 2uwe h ALA 135 Cb 0.38 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2uwe h ALA 135 CO 0.02 0.60 -0.36 1.49 0.00 0.00 0.00 179.25 181.00 2uwe h GLU 136 N 0.46 0.71 -0.36 0.00 4.81 -1.70 -2.10 114.58 116.40 2uwe h GLU 136 Ca 0.06 -0.41 -0.09 0.00 -0.13 0.00 0.00 59.36 58.79 2uwe h GLU 136 Cb 0.76 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.16 2uwe h GLU 136 CO 0.06 1.03 -0.14 0.82 -0.73 0.00 0.00 179.01 180.06 2uwe h ILE 137 N 0.45 1.25 0.04 2.32 2.04 -1.31 -0.46 117.51 121.84 2uwe h ILE 137 Ca 0.03 -1.14 -0.28 0.00 1.00 0.00 0.00 64.86 64.48 2uwe h ILE 137 Cb 0.95 1.12 0.02 0.00 -0.74 0.00 0.00 36.82 38.17 2uwe h ILE 137 CO 0.08 0.38 -1.11 0.00 0.00 0.00 0.00 178.15 177.50 2uwe h ALA 138 N 1.27 0.09 0.02 1.87 0.00 -1.33 -2.81 119.26 118.38 2uwe h ALA 138 Ca 0.10 -0.72 -0.28 0.00 0.00 0.00 0.00 54.91 54.00 2uwe h ALA 138 Cb 0.57 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 2uwe h ALA 138 CO 0.04 0.69 -1.59 -0.91 0.00 0.00 0.00 179.25 177.47 2uwe h ASN 139 N 0.36 0.07 0.00 0.00 2.35 -1.35 -3.40 115.58 113.60 2uwe h ASN 139 Ca -0.15 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.48 2uwe h ASN 139 Cb 1.77 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 40.12 2uwe h ASN 139 CO 0.22 1.11 0.00 0.29 -1.65 0.00 0.00 177.43 177.40 2uwe n LYS 140 N -3.17 2.17 -3.10 0.81 5.02 -0.19 -5.01 118.16 114.69 2uwe n LYS 140 Ca -0.15 -0.30 -0.23 0.00 -2.02 0.00 0.00 58.31 55.62 2uwe n LYS 140 Cb 1.03 -0.79 0.03 0.00 -0.02 0.00 0.00 35.03 35.28 2uwe n LYS 140 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2uwe n GLN 141 N -0.39 -4.64 -4.02 1.97 3.00 -1.06 -4.98 117.38 107.26 2uwe n GLN 141 Ca 0.00 0.82 -0.08 0.00 -0.01 0.00 0.00 57.00 57.73 2uwe n GLN 141 Cb 0.00 -5.66 -0.09 0.00 0.00 0.00 0.00 30.24 24.49 2uwe n GLN 141 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 2uwe s LYS 142 N -5.78 0.67 -0.11 -1.09 1.02 -1.25 -1.52 119.74 111.68 2uwe s LYS 142 Ca 0.33 -1.13 -0.03 0.00 0.02 0.00 0.00 55.97 55.15 2uwe s LYS 142 Cb -0.15 0.25 0.05 0.00 -0.52 0.00 0.00 37.83 37.45 2uwe s LYS 142 CO 0.40 -0.15 0.07 0.00 -0.92 0.00 0.00 175.35 174.75 2uwe s ALA 143 N -3.85 0.39 -0.35 5.17 0.00 0.21 -2.90 121.76 120.44 2uwe s ALA 143 Ca 0.06 -0.11 -0.15 0.00 0.00 0.00 0.00 51.96 51.76 2uwe s ALA 143 Cb 0.07 -0.86 -0.01 0.00 0.00 0.00 0.00 23.12 22.32 2uwe s ALA 143 CO -0.10 -0.85 0.35 0.99 0.00 0.00 0.00 175.76 176.15 2uwe s THR 144 N 2.13 5.18 -0.12 0.00 2.01 -1.26 -1.73 115.64 121.84 2uwe s THR 144 Ca 0.03 -0.01 -0.14 0.00 0.31 0.00 0.00 61.69 61.88 2uwe s THR 144 Cb -0.14 -3.82 -0.05 0.00 0.01 0.00 0.00 72.50 68.50 2uwe s THR 144 CO -0.06 -0.10 0.34 -0.76 -0.69 0.00 0.00 174.62 173.34 2uwe s LEU 145 N 1.99 4.30 -0.21 4.42 1.02 0.10 -3.85 118.68 126.45 2uwe s LEU 145 Ca 0.11 0.64 -0.01 0.00 0.02 0.00 0.00 54.13 54.89 2uwe s LEU 145 Cb -0.17 -2.45 0.01 0.00 0.02 0.00 0.00 46.19 43.61 2uwe s LEU 145 CO 0.12 0.14 -0.12 -0.69 0.02 0.00 0.00 176.35 175.82 2uwe s VAL 146 N 0.13 2.68 0.10 -1.59 1.01 -0.85 -0.73 120.40 121.15 2uwe s VAL 146 Ca 0.19 -0.82 -0.19 0.00 0.00 0.00 0.00 61.98 61.17 2uwe s VAL 146 Cb -0.14 -2.23 -0.07 0.00 0.00 0.00 0.00 36.38 33.95 2uwe s VAL 146 CO 0.07 0.42 0.58 0.00 0.00 0.00 0.00 175.10 176.16 2uwe s LEU 148 N -1.33 0.32 -0.11 0.00 2.96 -0.10 -2.03 118.68 118.40 2uwe s LEU 148 Ca 0.32 -0.86 -0.17 0.00 -0.22 0.00 0.00 54.13 53.19 2uwe s LEU 148 Cb -0.19 -0.15 -0.04 0.00 0.50 0.00 0.00 46.19 46.31 2uwe s LEU 148 CO 0.19 -0.39 0.45 0.00 -1.32 0.00 0.00 176.35 175.29 2uwe s ALA 149 N 2.17 3.51 0.11 5.97 0.00 0.26 -1.90 121.76 131.87 2uwe s ALA 149 Ca 0.06 -0.22 -0.00 0.00 0.00 0.00 0.00 51.96 51.80 2uwe s ALA 149 Cb -0.16 -2.59 -0.04 0.00 0.00 0.00 0.00 23.12 20.33 2uwe s ALA 149 CO -0.23 0.06 0.00 1.03 0.00 0.00 0.00 175.76 176.62 2uwe s ARG 150 N 0.41 0.84 -1.21 0.00 0.52 -0.57 -1.25 118.95 117.69 2uwe s ARG 150 Ca 0.25 -1.37 0.00 0.00 -0.52 0.00 0.00 55.73 54.09 2uwe s ARG 150 Cb -0.15 0.09 0.00 0.00 0.52 0.00 0.00 34.95 35.41 2uwe s ARG 150 CO 0.10 -0.16 0.00 0.41 0.02 0.00 0.00 175.30 175.67 2uwe n GLY 151 N -0.04 0.53 3.78 -3.53 0.00 -1.00 -0.69 105.19 104.24 2uwe n GLY 151 Ca -0.09 -0.39 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 2uwe n GLY 151 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2uwe s PHE 152 N -2.56 3.17 -0.28 1.61 -0.12 -1.23 -4.60 117.98 113.97 2uwe s PHE 152 Ca 0.00 0.04 -0.15 0.00 -0.05 0.00 0.00 56.93 56.77 2uwe s PHE 152 Cb 0.00 -1.58 0.09 0.00 -0.63 0.00 0.00 43.02 40.90 2uwe s PHE 152 CO 0.00 0.52 0.67 0.12 -0.05 0.00 0.00 175.22 176.48 2uwe s PHE 153 N -1.51 -1.09 0.00 3.49 5.36 -0.61 -0.86 117.98 122.76 2uwe s PHE 153 Ca 0.30 2.13 0.00 0.00 -0.96 0.00 0.00 56.93 58.40 2uwe s PHE 153 Cb -0.11 0.65 0.00 0.00 -0.34 0.00 0.00 43.02 43.21 2uwe s PHE 153 CO 0.22 -0.54 0.00 -0.35 -1.46 0.00 0.00 175.22 173.09 2uwe n PRO 154 N 4.51 0.82 -1.44 10.12 -0.04 -1.26 -1.68 135.00 146.03 2uwe n PRO 154 Ca -0.19 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 62.92 2uwe n PRO 154 Cb 0.57 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 34.10 2uwe n PRO 154 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2uwe n ASP 155 N -0.47 7.64 -4.13 3.54 5.75 -1.26 -4.79 116.55 122.83 2uwe n ASP 155 Ca 0.00 -3.77 -0.43 0.00 -0.01 0.00 0.00 54.79 50.57 2uwe n ASP 155 Cb 0.00 -1.00 0.00 0.00 -1.03 0.00 0.00 41.12 39.09 2uwe n ASP 155 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 2uwe n HIS 156 N -0.79 3.81 -4.41 2.11 8.25 -1.26 -4.90 115.22 118.03 2uwe n HIS 156 Ca 0.60 -3.04 -0.21 0.00 -0.26 0.00 0.00 57.72 54.81 2uwe n HIS 156 Cb 0.57 -2.01 -0.13 0.00 1.12 0.00 0.00 29.99 29.53 2uwe n HIS 156 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2uwe s VAL 157 N 0.68 1.22 -0.11 1.59 -7.23 -1.26 -0.46 120.40 114.83 2uwe s VAL 157 Ca 0.40 -1.04 0.00 0.00 -1.81 0.00 0.00 61.98 59.54 2uwe s VAL 157 Cb 0.04 -1.09 0.02 0.00 0.56 0.00 0.00 36.38 35.91 2uwe s VAL 157 CO 0.01 0.04 -0.10 -1.61 -0.31 0.00 0.00 175.10 173.13 2uwe s GLU 158 N -1.15 1.69 -0.15 4.82 2.02 -0.51 -4.98 118.70 120.44 2uwe s GLU 158 Ca 0.03 -0.33 -0.08 0.00 0.02 0.00 0.00 54.97 54.61 2uwe s GLU 158 Cb -0.08 -1.64 -0.04 0.00 0.10 0.00 0.00 34.13 32.46 2uwe s GLU 158 CO 0.01 -0.21 0.12 -1.17 0.02 0.00 0.00 175.26 174.04 2uwe s LEU 159 N 1.49 4.25 0.07 1.80 0.20 -1.26 -0.58 118.68 124.64 2uwe s LEU 159 Ca 0.02 0.34 0.01 0.00 0.69 0.00 0.00 54.13 55.19 2uwe s LEU 159 Cb -0.13 -2.06 -0.03 0.00 -0.43 0.00 0.00 46.19 43.54 2uwe s LEU 159 CO -0.07 0.31 -0.06 -0.94 -0.29 0.00 0.00 176.35 175.30 2uwe s SER 160 N -0.45 0.90 -0.03 3.68 1.04 0.52 -4.99 113.70 114.36 2uwe s SER 160 Ca 0.12 -0.81 0.03 0.00 0.48 0.00 0.00 55.95 55.77 2uwe s SER 160 Cb -0.12 0.09 -0.03 0.00 0.10 0.00 0.00 66.02 66.06 2uwe s SER 160 CO 0.02 -0.38 -0.11 0.26 0.98 0.00 0.00 173.24 174.00 2uwe s TRP 161 N -2.74 2.78 -0.11 5.02 0.52 -1.26 0.08 118.94 123.22 2uwe s TRP 161 Ca 0.02 -0.10 -0.00 0.00 0.02 0.00 0.00 56.10 56.03 2uwe s TRP 161 Cb -0.01 -1.62 0.03 0.00 -1.15 0.00 0.00 33.47 30.71 2uwe s TRP 161 CO -0.03 0.27 -0.07 -1.58 0.02 0.00 0.00 176.95 175.55 2uwe s TRP 162 N -0.83 1.48 -0.19 -1.98 0.52 0.15 -1.71 118.94 116.38 2uwe s TRP 162 Ca 0.13 -0.74 -0.01 0.00 0.02 0.00 0.00 56.10 55.50 2uwe s TRP 162 Cb -0.11 -1.23 -0.00 0.00 -1.15 0.00 0.00 33.47 30.98 2uwe s TRP 162 CO 0.03 -0.51 -0.11 0.08 0.02 0.00 0.00 176.95 176.45 2uwe s VAL 163 N 1.71 2.87 -1.42 4.03 1.01 0.31 -1.40 120.40 127.51 2uwe s VAL 163 Ca 0.05 -0.68 -0.06 0.00 0.00 0.00 0.00 61.98 61.30 2uwe s VAL 163 Cb -0.13 -2.26 0.03 0.00 0.00 0.00 0.00 36.38 34.02 2uwe s VAL 163 CO -0.08 0.48 0.48 0.59 0.00 0.00 0.00 175.10 176.57 2uwe n ASN 164 N 4.49 -5.02 0.00 3.32 3.02 -0.66 -1.95 115.26 118.46 2uwe n ASN 164 Ca -0.19 -0.27 0.00 0.00 -0.03 0.00 0.00 54.58 54.09 2uwe n ASN 164 Cb 0.51 -4.11 0.00 0.00 -0.61 0.00 0.00 39.78 35.57 2uwe n ASN 164 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2uwe n GLY 165 N -1.30 0.73 3.24 7.41 0.00 -1.26 -5.04 105.19 108.97 2uwe n GLY 165 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 2uwe n GLY 165 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2uwe s LYS 166 N -0.18 2.18 0.08 1.61 1.02 -0.82 -5.09 119.74 118.54 2uwe s LYS 166 Ca 0.00 -0.82 -0.31 0.00 0.02 0.00 0.00 55.97 54.86 2uwe s LYS 166 Cb 0.00 -1.93 -0.07 0.00 -0.52 0.00 0.00 37.83 35.32 2uwe s LYS 166 CO 0.00 0.39 1.32 -2.00 -0.92 0.00 0.00 175.35 174.13 2uwe s GLU 167 N -0.23 4.36 0.03 1.68 2.12 -1.26 -0.53 118.70 124.87 2uwe s GLU 167 Ca 0.00 1.95 0.04 0.00 0.36 0.00 0.00 54.97 57.32 2uwe s GLU 167 Cb -0.12 -3.32 -0.04 0.00 0.26 0.00 0.00 34.13 30.92 2uwe s GLU 167 CO 0.02 -0.38 -0.05 0.14 -0.54 0.00 0.00 175.26 174.44 2uwe s VAL 168 N 1.23 3.73 -0.03 3.70 -7.23 -0.69 -4.92 120.40 116.19 2uwe s VAL 168 Ca 0.62 -0.86 0.04 0.00 -1.81 0.00 0.00 61.98 59.97 2uwe s VAL 168 Cb -0.33 -2.67 -0.06 0.00 0.56 0.00 0.00 36.38 33.87 2uwe s VAL 168 CO 0.29 0.30 0.05 1.41 -0.31 0.00 0.00 175.10 176.84 2uwe n HIS 169 N 1.24 0.00 -2.41 2.82 -0.00 -1.26 -4.45 115.22 111.16 2uwe n HIS 169 Ca -0.14 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.17 2uwe n HIS 169 Cb 0.52 -0.17 -0.04 0.00 -0.00 0.00 0.00 29.99 30.31 2uwe n HIS 169 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2uwe s SER 170 N -3.14 7.15 -0.96 0.41 0.15 -1.26 -3.33 113.70 112.73 2uwe s SER 170 Ca -0.02 2.27 0.00 0.00 0.70 0.00 0.00 55.95 58.90 2uwe s SER 170 Cb 0.02 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 2uwe s SER 170 CO 0.18 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.96 2uwe n GLY 171 N 1.65 0.89 3.48 9.45 0.00 -1.26 -4.89 105.19 114.51 2uwe n GLY 171 Ca 0.02 -0.59 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 2uwe n GLY 171 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2uwe s VAL 172 N -2.37 3.18 -0.32 1.61 1.01 -1.21 -1.63 120.40 120.67 2uwe s VAL 172 Ca 0.00 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.30 2uwe s VAL 172 Cb 0.00 -2.27 0.13 0.00 0.00 0.00 0.00 36.38 34.24 2uwe s VAL 172 CO 0.00 0.58 0.22 -0.55 0.00 0.00 0.00 175.10 175.36 2uwe s SER 173 N -0.59 2.63 -0.02 3.32 0.15 -0.54 -4.98 113.70 113.67 2uwe s SER 173 Ca 0.08 -1.43 -0.05 0.00 0.70 0.00 0.00 55.95 55.26 2uwe s SER 173 Cb -0.11 -0.03 -0.04 0.00 -1.71 0.00 0.00 66.02 64.12 2uwe s SER 173 CO 0.01 -0.37 0.21 -0.89 1.20 0.00 0.00 173.24 173.41 2uwe s THR 174 N 1.82 5.39 0.15 6.45 2.01 -1.26 -1.15 115.64 129.04 2uwe s THR 174 Ca 0.12 0.04 -0.34 0.00 0.31 0.00 0.00 61.69 61.83 2uwe s THR 174 Cb -0.17 -3.53 -0.14 0.00 0.01 0.00 0.00 72.50 68.67 2uwe s THR 174 CO -0.22 0.39 1.57 0.47 -0.69 0.00 0.00 174.62 176.14 2uwe n ASP 175 N 1.18 3.03 -0.24 3.53 8.00 -0.79 -4.91 116.55 126.35 2uwe n ASP 175 Ca -0.12 1.08 -0.08 0.00 0.71 0.00 0.00 54.79 56.38 2uwe n ASP 175 Cb 0.53 -1.41 0.04 0.00 -0.02 0.00 0.00 41.12 40.25 2uwe n ASP 175 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 2uwe h PRO 176 N 5.89 1.05 -6.37 -0.24 0.11 -1.97 -3.44 132.00 127.04 2uwe h PRO 176 Ca -0.45 -0.25 -0.65 0.00 0.11 0.00 0.00 66.00 64.76 2uwe h PRO 176 Cb 1.26 -0.14 -0.28 0.00 0.11 0.00 0.00 31.00 31.95 2uwe h PRO 176 CO 0.88 0.95 -0.87 -0.65 -0.21 0.00 0.00 178.00 178.10 2uwe s GLN 177 N -5.31 1.76 0.39 1.05 1.11 -1.26 -5.13 119.66 112.27 2uwe s GLN 177 Ca -0.12 -0.93 -0.26 0.00 0.01 0.00 0.00 55.36 54.06 2uwe s GLN 177 Cb 0.14 -1.80 -0.09 0.00 -1.01 0.00 0.00 33.01 30.26 2uwe s GLN 177 CO 0.83 0.48 1.20 0.00 0.01 0.00 0.00 175.29 177.81 2uwe s ALA 178 N -0.66 3.21 -0.18 6.09 0.00 -1.26 -4.97 121.76 123.98 2uwe s ALA 178 Ca 0.09 1.03 -0.13 0.00 0.00 0.00 0.00 51.96 52.95 2uwe s ALA 178 Cb -0.09 -3.40 -0.05 0.00 0.00 0.00 0.00 23.12 19.58 2uwe s ALA 178 CO 0.00 -0.57 0.26 0.71 0.00 0.00 0.00 175.76 176.17 2uwe s TYR 179 N -1.35 3.43 -0.61 0.00 2.02 0.13 -4.87 117.35 116.09 2uwe s TYR 179 Ca 0.56 0.51 -0.27 0.00 -0.37 0.00 0.00 57.07 57.50 2uwe s TYR 179 Cb -0.33 -2.33 0.03 0.00 -0.40 0.00 0.00 41.96 38.94 2uwe s TYR 179 CO 0.41 0.20 1.17 0.21 -1.57 0.00 0.00 175.55 175.97 2uwe s LYS 180 N 0.62 3.43 0.00 -0.62 2.20 -1.26 0.86 119.74 124.97 2uwe s LYS 180 Ca 0.14 0.09 -0.03 0.00 -0.36 0.00 0.00 55.97 55.81 2uwe s LYS 180 Cb -0.13 -4.05 -0.28 0.00 -1.51 0.00 0.00 37.83 31.86 2uwe s LYS 180 CO 0.03 -1.74 0.85 1.05 -0.36 0.00 0.00 175.35 175.18 2uwe h GLU 181 N 9.60 0.26 0.00 4.03 4.11 -1.31 -3.48 114.58 127.78 2uwe h GLU 181 Ca -0.26 -0.44 0.00 0.00 0.07 0.00 0.00 59.36 58.74 2uwe h GLU 181 Cb 1.06 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2uwe h GLU 181 CO 1.19 1.12 0.00 -1.13 0.07 0.00 0.00 179.01 180.26 2uwe n SER 182 N -3.46 1.08 0.19 3.06 3.41 -1.06 -4.99 113.62 111.85 2uwe n SER 182 Ca -0.17 -0.63 0.06 0.00 -0.26 0.00 0.00 58.87 57.88 2uwe n SER 182 Cb 1.04 0.00 0.34 0.00 -0.26 0.00 0.00 64.21 65.33 2uwe n SER 182 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 2uwe h ASN 186 N 0.00 0.00 -0.02 4.04 -1.24 -2.03 -3.31 115.58 113.02 2uwe h ASN 186 Ca 0.00 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 56.91 2uwe h ASN 186 Cb 0.00 0.00 -0.21 0.00 0.73 0.00 0.00 38.32 38.84 2uwe h ASN 186 CO 0.00 0.35 -0.78 -1.22 -1.29 0.00 0.00 177.43 174.49 2uwe n TYR 187 N -3.48 0.06 -3.74 0.67 4.01 -1.26 -5.05 117.16 108.36 2uwe n TYR 187 Ca 0.00 -1.02 -0.13 0.00 -0.16 0.00 0.00 57.90 56.59 2uwe n TYR 187 Cb 0.51 -0.20 -0.13 0.00 -0.31 0.00 0.00 39.34 39.21 2uwe n TYR 187 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2uwe s SER 189 N -2.63 -0.25 0.26 7.72 0.15 -1.25 -4.60 113.70 113.10 2uwe s SER 189 Ca 0.36 0.49 0.10 0.00 0.70 0.00 0.00 55.95 57.61 2uwe s SER 189 Cb 0.38 0.40 -0.05 0.00 -1.71 0.00 0.00 66.02 65.05 2uwe s SER 189 CO -0.12 -0.15 -0.10 -0.31 1.20 0.00 0.00 173.24 173.77 2uwe s TYR 190 N 1.00 2.52 -0.01 3.44 1.51 -0.04 -0.85 117.35 124.91 2uwe s TYR 190 Ca -0.07 -0.27 0.01 0.00 -1.01 0.00 0.00 57.07 55.73 2uwe s TYR 190 Cb -0.08 -1.13 0.00 0.00 -0.11 0.00 0.00 41.96 40.64 2uwe s TYR 190 CO -0.06 0.64 -0.04 0.00 -1.11 0.00 0.00 175.55 174.97 2uwe s ALA 191 N -2.28 0.43 -0.02 3.71 0.00 0.25 -2.38 121.76 121.48 2uwe s ALA 191 Ca 0.29 -0.15 0.02 0.00 0.00 0.00 0.00 51.96 52.12 2uwe s ALA 191 Cb -0.06 -0.16 0.00 0.00 0.00 0.00 0.00 23.12 22.90 2uwe s ALA 191 CO 0.17 0.07 -0.08 -1.17 0.00 0.00 0.00 175.76 174.75 2uwe s LEU 192 N 0.11 1.86 0.23 0.00 2.96 -0.38 0.18 118.68 123.63 2uwe s LEU 192 Ca -0.01 -0.15 0.05 0.00 -0.22 0.00 0.00 54.13 53.80 2uwe s LEU 192 Cb -0.05 -0.45 -0.05 0.00 0.50 0.00 0.00 46.19 46.14 2uwe s LEU 192 CO -0.00 0.07 -0.05 -0.94 -1.32 0.00 0.00 176.35 174.10 2uwe s SER 193 N 0.07 2.18 0.08 3.68 1.04 -1.26 -0.57 113.70 118.92 2uwe s SER 193 Ca -0.01 -1.16 -0.18 0.00 0.48 0.00 0.00 55.95 55.08 2uwe s SER 193 Cb -0.06 -0.06 0.04 0.00 0.10 0.00 0.00 66.02 66.04 2uwe s SER 193 CO -0.00 -0.40 0.44 -0.55 0.98 0.00 0.00 173.24 173.71 2uwe s SER 194 N -3.33 -0.31 -0.05 7.02 0.15 -0.86 -1.88 113.70 114.44 2uwe s SER 194 Ca 0.26 -0.08 0.05 0.00 0.70 0.00 0.00 55.95 56.88 2uwe s SER 194 Cb 0.04 0.46 -0.02 0.00 -1.71 0.00 0.00 66.02 64.79 2uwe s SER 194 CO 0.08 -0.76 -0.21 -0.13 1.20 0.00 0.00 173.24 173.42 2uwe s ARG 195 N -3.01 2.52 -0.18 5.44 0.52 -0.30 -1.79 118.95 122.15 2uwe s ARG 195 Ca -0.02 -0.84 0.01 0.00 -0.52 0.00 0.00 55.73 54.36 2uwe s ARG 195 Cb 0.00 -2.24 0.03 0.00 0.52 0.00 0.00 34.95 33.27 2uwe s ARG 195 CO -0.06 0.46 -0.16 -1.17 0.02 0.00 0.00 175.30 174.40 2uwe s LEU 196 N -0.35 2.19 -0.20 2.53 2.96 0.09 -1.47 118.68 124.43 2uwe s LEU 196 Ca 0.02 -0.73 -0.02 0.00 -0.22 0.00 0.00 54.13 53.18 2uwe s LEU 196 Cb -0.12 -1.36 -0.00 0.00 0.50 0.00 0.00 46.19 45.20 2uwe s LEU 196 CO 0.02 -0.06 -0.09 -0.60 -1.32 0.00 0.00 176.35 174.30 2uwe s ARG 197 N 1.34 3.30 0.45 1.98 3.52 -0.64 0.01 118.95 128.91 2uwe s ARG 197 Ca 0.02 -0.68 0.03 0.00 -0.13 0.00 0.00 55.73 54.98 2uwe s ARG 197 Cb -0.14 -2.85 -0.04 0.00 -1.56 0.00 0.00 34.95 30.36 2uwe s ARG 197 CO -0.11 -0.13 0.03 0.14 -0.81 0.00 0.00 175.30 174.42 2uwe s VAL 198 N 1.24 1.33 0.88 7.11 -7.23 -0.71 -4.74 120.40 118.28 2uwe s VAL 198 Ca 0.03 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.08 2uwe s VAL 198 Cb -0.14 -2.49 0.12 0.00 0.56 0.00 0.00 36.38 34.43 2uwe s VAL 198 CO -0.04 0.00 1.09 -0.94 -0.31 0.00 0.00 175.10 174.91 2uwe s SER 199 N -3.76 3.68 0.18 4.85 1.04 -1.26 -0.61 113.70 117.81 2uwe s SER 199 Ca 0.19 1.44 -0.11 0.00 0.48 0.00 0.00 55.95 57.96 2uwe s SER 199 Cb 0.05 -2.13 0.07 0.00 0.10 0.00 0.00 66.02 64.11 2uwe s SER 199 CO 0.10 -2.50 1.69 0.00 0.98 0.00 0.00 173.24 173.51 2uwe h ALA 200 N -1.45 0.81 -0.39 5.32 0.00 -1.56 -2.56 119.26 119.43 2uwe h ALA 200 Ca -0.49 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.10 2uwe h ALA 200 Cb 1.28 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 2uwe h ALA 200 CO 0.56 0.51 -0.14 1.15 0.00 0.00 0.00 179.25 181.33 2uwe h THR 201 N 0.89 1.26 -0.54 0.00 2.02 -1.93 -1.22 112.91 113.39 2uwe h THR 201 Ca 0.19 -1.18 -0.11 0.00 0.77 0.00 0.00 66.41 66.08 2uwe h THR 201 Cb 0.35 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 2uwe h THR 201 CO 0.00 0.40 -0.09 0.15 0.37 0.00 0.00 175.52 176.34 2uwe h PHE 202 N 0.64 1.14 0.00 3.16 3.57 -1.91 -2.48 116.94 121.06 2uwe h PHE 202 Ca 0.11 -0.23 -0.12 0.00 3.53 0.00 0.00 57.97 61.25 2uwe h PHE 202 Cb 0.60 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 2uwe h PHE 202 CO 0.03 1.05 -0.56 2.35 -2.23 0.00 0.00 178.31 178.95 2uwe h TRP 203 N 0.90 0.00 0.00 0.41 2.91 -1.33 -3.22 115.95 115.63 2uwe h TRP 203 Ca 0.14 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.16 2uwe h TRP 203 Cb 0.66 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.31 2uwe h TRP 203 CO 0.05 0.56 0.00 0.45 -1.03 0.00 0.00 178.44 178.47 2uwe h HIS 204 N 0.00 0.00 -3.12 2.65 3.86 -0.98 -2.06 115.15 115.50 2uwe h HIS 204 Ca -0.01 0.00 -0.57 0.00 -1.16 0.00 0.00 60.37 58.64 2uwe h HIS 204 Cb 1.01 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.43 2uwe h HIS 204 CO 0.00 0.00 0.97 1.21 0.86 0.00 0.00 177.93 180.97 2uwe s ASN 205 N -5.85 6.68 0.29 2.45 2.47 -0.95 -3.76 114.94 116.27 2uwe s ASN 205 Ca 0.06 1.25 0.21 0.00 0.42 0.00 0.00 52.86 54.81 2uwe s ASN 205 Cb 0.07 -2.54 1.07 0.00 -1.45 0.00 0.00 41.25 38.40 2uwe s ASN 205 CO 0.63 -1.07 1.65 -2.65 -3.72 0.00 0.00 177.10 171.95 2uwe n PRO 206 N 7.28 0.15 -0.16 0.43 -0.02 -1.26 -2.29 135.00 139.14 2uwe n PRO 206 Ca 0.15 0.57 -0.10 0.00 -2.02 0.00 0.00 63.50 62.10 2uwe n PRO 206 Cb 0.46 -1.92 0.03 0.00 -0.02 0.00 0.00 33.50 32.06 2uwe n PRO 206 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 2uwe h ARG 207 N 0.00 0.97 -6.41 -0.52 9.65 -1.91 -3.37 114.38 112.80 2uwe h ARG 207 Ca 0.00 -0.37 -0.54 0.00 -1.10 0.00 0.00 59.98 57.97 2uwe h ARG 207 Cb 0.11 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.64 2uwe h ARG 207 CO 0.00 1.04 0.77 -0.80 2.80 0.00 0.00 179.97 183.78 2uwe s ASN 208 N -6.68 6.89 -0.26 -3.80 0.01 -0.97 -4.88 114.94 105.24 2uwe s ASN 208 Ca -0.11 2.11 -0.05 0.00 -0.71 0.00 0.00 52.86 54.11 2uwe s ASN 208 Cb 0.13 -2.57 0.01 0.00 0.41 0.00 0.00 41.25 39.23 2uwe s ASN 208 CO 0.86 -0.67 0.01 -2.28 -1.51 0.00 0.00 177.10 173.50 2uwe s HIS 209 N 2.02 3.07 -0.16 2.20 5.65 -1.26 -1.72 115.29 125.09 2uwe s HIS 209 Ca 0.63 -1.10 -0.05 0.00 0.25 0.00 0.00 55.06 54.79 2uwe s HIS 209 Cb -0.32 -2.16 -0.03 0.00 -1.18 0.00 0.00 32.58 28.90 2uwe s HIS 209 CO 0.27 -0.60 -0.01 -0.06 -0.65 0.00 0.00 174.74 173.69 2uwe s PHE 210 N 1.45 3.10 -0.10 3.88 0.08 0.49 -1.65 117.98 125.22 2uwe s PHE 210 Ca 0.03 -0.14 -0.05 0.00 0.12 0.00 0.00 56.93 56.89 2uwe s PHE 210 Cb -0.16 -1.97 0.05 0.00 -0.57 0.00 0.00 43.02 40.37 2uwe s PHE 210 CO -0.01 0.07 0.23 0.50 -0.10 0.00 0.00 175.22 175.91 2uwe s ARG 211 N 0.23 0.16 -0.14 0.44 3.52 -0.49 -0.32 118.95 122.34 2uwe s ARG 211 Ca -0.00 0.57 -0.06 0.00 -0.13 0.00 0.00 55.73 56.10 2uwe s ARG 211 Cb -0.13 -0.12 -0.04 0.00 -1.56 0.00 0.00 34.95 33.09 2uwe s ARG 211 CO 0.02 -0.21 0.07 0.00 -0.81 0.00 0.00 175.30 174.37 2uwe s GLN 213 N -0.31 2.39 -0.25 0.00 0.74 0.11 -2.25 119.66 120.10 2uwe s GLN 213 Ca 0.09 -0.85 0.02 0.00 0.05 0.00 0.00 55.36 54.67 2uwe s GLN 213 Cb -0.12 -2.04 0.05 0.00 1.10 0.00 0.00 33.01 32.00 2uwe s GLN 213 CO 0.02 0.36 -0.12 0.08 -0.55 0.00 0.00 175.29 175.08 2uwe s VAL 214 N -0.14 2.19 -0.30 1.34 1.01 -0.56 -0.36 120.40 123.57 2uwe s VAL 214 Ca -0.03 -1.50 -0.27 0.00 0.00 0.00 0.00 61.98 60.18 2uwe s VAL 214 Cb -0.13 -2.23 0.01 0.00 0.00 0.00 0.00 36.38 34.03 2uwe s VAL 214 CO 0.03 0.07 0.98 -1.58 0.00 0.00 0.00 175.10 174.60 2uwe s GLN 215 N 1.14 4.07 -0.27 2.72 0.74 0.25 -1.78 119.66 126.53 2uwe s GLN 215 Ca -0.06 0.97 -0.10 0.00 0.05 0.00 0.00 55.36 56.22 2uwe s GLN 215 Cb -0.19 -3.72 -0.04 0.00 1.10 0.00 0.00 33.01 30.16 2uwe s GLN 215 CO -0.06 -0.79 0.15 0.12 -0.55 0.00 0.00 175.29 174.16 2uwe s PHE 216 N 3.36 3.19 -0.44 1.67 5.36 0.14 -1.42 117.98 129.84 2uwe s PHE 216 Ca 0.41 -0.03 -0.19 0.00 -0.96 0.00 0.00 56.93 56.16 2uwe s PHE 216 Cb -0.13 -2.33 0.03 0.00 -0.34 0.00 0.00 43.02 40.25 2uwe s PHE 216 CO 0.13 -0.20 0.55 -1.01 -1.46 0.00 0.00 175.22 173.23 2uwe s HIS 217 N 1.66 3.11 0.00 10.12 3.76 0.39 -1.67 115.29 132.66 2uwe s HIS 217 Ca 0.07 -0.25 0.00 0.00 -0.15 0.00 0.00 55.06 54.73 2uwe s HIS 217 Cb -0.16 -3.18 0.00 0.00 1.11 0.00 0.00 32.58 30.36 2uwe s HIS 217 CO 0.08 -0.82 0.00 0.41 -0.85 0.00 0.00 174.74 173.57 2uwe n GLY 218 N 5.08 1.44 3.94 -2.22 0.00 -1.26 -4.58 105.19 107.59 2uwe n GLY 218 Ca -0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 2uwe n GLY 218 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2uwe s LEU 219 N 0.00 4.06 0.62 0.99 1.43 -0.65 -4.20 118.68 120.92 2uwe s LEU 219 Ca 0.00 0.43 0.01 0.00 -1.03 0.00 0.00 54.13 53.54 2uwe s LEU 219 Cb 0.00 -3.28 0.07 0.00 0.03 0.00 0.00 46.19 43.01 2uwe s LEU 219 CO 0.00 -0.25 0.86 -0.94 0.23 0.00 0.00 176.35 176.25 2uwe s SER 220 N -3.92 4.93 0.42 2.29 1.04 -1.26 -3.60 113.70 113.60 2uwe s SER 220 Ca 0.40 -0.17 0.19 0.00 0.48 0.00 0.00 55.95 56.84 2uwe s SER 220 Cb -0.10 -0.51 0.95 0.00 0.10 0.00 0.00 66.02 66.46 2uwe s SER 220 CO 0.35 -1.42 1.89 -0.08 0.98 0.00 0.00 173.24 174.96 2uwe h GLU 221 N -0.15 0.00 0.00 4.02 4.81 -2.02 -2.75 114.58 118.49 2uwe h GLU 221 Ca -0.39 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.79 2uwe h GLU 221 Cb 1.29 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.66 2uwe h GLU 221 CO 0.47 0.28 -0.21 1.49 -0.73 0.00 0.00 179.01 180.31 2uwe h GLU 222 N 0.00 0.00 -6.71 1.92 4.57 -2.05 -3.44 114.58 108.86 2uwe h GLU 222 Ca -0.00 0.00 -0.52 0.00 -1.18 0.00 0.00 59.36 57.66 2uwe h GLU 222 Cb 0.59 0.00 0.03 0.00 -0.16 0.00 0.00 28.75 29.21 2uwe h GLU 222 CO 0.04 0.21 0.61 -0.51 -1.18 0.00 0.00 179.01 178.18 2uwe s ASP 223 N -6.24 6.96 0.22 1.04 1.01 -1.04 -5.01 116.67 113.62 2uwe s ASP 223 Ca -0.01 2.39 -0.30 0.00 0.71 0.00 0.00 52.55 55.34 2uwe s ASP 223 Cb 0.12 -2.62 -0.09 0.00 1.01 0.00 0.00 42.92 41.34 2uwe s ASP 223 CO 0.63 -0.45 0.95 -0.54 0.21 0.00 0.00 175.17 175.96 2uwe s LYS 224 N -0.49 4.83 -0.10 8.23 1.02 -1.26 -4.94 119.74 127.02 2uwe s LYS 224 Ca 0.54 1.50 -0.04 0.00 0.02 0.00 0.00 55.97 57.98 2uwe s LYS 224 Cb -0.36 -3.29 0.05 0.00 -0.52 0.00 0.00 37.83 33.71 2uwe s LYS 224 CO 0.40 0.46 0.22 -0.46 -0.92 0.00 0.00 175.35 175.05 2uwe s TRP 225 N -1.00 -0.31 0.66 3.18 -0.11 -1.26 -5.06 118.94 115.05 2uwe s TRP 225 Ca 0.42 0.77 -0.16 0.00 1.22 0.00 0.00 56.10 58.35 2uwe s TRP 225 Cb -0.26 -0.04 0.00 0.00 -1.50 0.00 0.00 33.47 31.68 2uwe s TRP 225 CO 0.32 -0.26 1.17 -1.25 -4.62 0.00 0.00 176.95 172.31 2uwe s PRO 226 N 1.72 2.61 0.79 5.86 0.04 -1.26 -5.01 135.00 139.76 2uwe s PRO 226 Ca -0.05 1.66 -0.11 0.00 0.04 0.00 0.00 61.00 62.54 2uwe s PRO 226 Cb -0.11 -1.90 0.07 0.00 0.04 0.00 0.00 34.50 32.60 2uwe s PRO 226 CO -0.08 -1.45 1.10 -1.21 0.04 0.00 0.00 177.00 175.41 2uwe s GLU 227 N -3.78 2.05 0.00 4.56 0.41 -1.26 -4.16 118.70 116.52 2uwe s GLU 227 Ca 0.73 1.26 0.00 0.00 -0.41 0.00 0.00 54.97 56.54 2uwe s GLU 227 Cb -0.26 -1.87 0.00 0.00 -1.78 0.00 0.00 34.13 30.22 2uwe s GLU 227 CO 0.40 -1.81 0.00 0.41 -0.49 0.00 0.00 175.26 173.77 2uwe n GLY 228 N -0.90 2.86 3.84 -1.39 0.00 -1.26 -5.01 105.19 103.33 2uwe n GLY 228 Ca 0.10 -0.73 -0.38 0.00 0.00 0.00 0.00 46.02 45.01 2uwe n GLY 228 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2uwe s SER 229 N 0.00 6.79 0.25 1.61 0.15 -1.26 -5.07 113.70 116.18 2uwe s SER 229 Ca 0.00 0.95 -0.30 0.00 0.70 0.00 0.00 55.95 57.30 2uwe s SER 229 Cb 0.00 -2.24 -0.10 0.00 -1.71 0.00 0.00 66.02 61.97 2uwe s SER 229 CO 0.00 0.31 1.40 -2.84 1.20 0.00 0.00 173.24 173.31 2uwe s PRO 230 N -1.15 4.30 -0.00 5.44 0.02 -1.26 -4.90 135.00 137.45 2uwe s PRO 230 Ca 0.24 2.24 -0.30 0.00 0.02 0.00 0.00 61.00 63.20 2uwe s PRO 230 Cb -0.16 -3.12 -0.07 0.00 0.02 0.00 0.00 34.50 31.17 2uwe s PRO 230 CO 0.14 -0.35 1.61 0.21 -0.33 0.00 0.00 177.00 178.28 2uwe s LYS 231 N -0.52 4.20 -1.07 5.54 2.20 -1.26 -4.89 119.74 123.95 2uwe s LYS 231 Ca 0.57 2.21 -0.10 0.00 -0.36 0.00 0.00 55.97 58.29 2uwe s LYS 231 Cb -0.40 -3.78 -0.07 0.00 -1.51 0.00 0.00 37.83 32.06 2uwe s LYS 231 CO 0.44 -0.76 2.25 -0.35 -0.36 0.00 0.00 175.35 176.56 2uwe n PRO 232 N 6.30 2.35 -1.34 4.03 -0.04 -1.26 -4.91 135.00 140.12 2uwe n PRO 232 Ca 0.16 -1.75 -0.30 0.00 -0.04 0.00 0.00 63.50 61.57 2uwe n PRO 232 Cb 0.42 -2.66 0.23 0.00 -0.04 0.00 0.00 33.50 31.46 2uwe n PRO 232 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2uwe s VAL 233 N 3.43 1.69 0.01 0.52 -7.23 -1.26 -1.63 120.40 115.93 2uwe s VAL 233 Ca 0.49 0.00 -0.30 0.00 -1.81 0.00 0.00 61.98 60.35 2uwe s VAL 233 Cb 0.13 -2.65 -0.06 0.00 0.56 0.00 0.00 36.38 34.35 2uwe s VAL 233 CO -0.02 0.00 1.54 -0.89 -0.31 0.00 0.00 175.10 175.42 2uwe s THR 234 N -3.30 3.45 0.09 5.32 2.01 -1.24 -4.24 115.64 117.73 2uwe s THR 234 Ca 0.73 0.80 -0.15 0.00 0.31 0.00 0.00 61.69 63.38 2uwe s THR 234 Cb -0.07 -3.52 0.03 0.00 0.01 0.00 0.00 72.50 68.95 2uwe s THR 234 CO 0.55 -0.02 0.35 0.00 -0.69 0.00 0.00 174.62 174.81 2uwe s GLN 235 N 2.85 0.96 -0.17 4.92 -2.07 -0.67 -4.97 119.66 120.51 2uwe s GLN 235 Ca 0.69 -0.64 -0.06 0.00 -1.82 0.00 0.00 55.36 53.53 2uwe s GLN 235 Cb -0.35 0.42 -0.04 0.00 -1.09 0.00 0.00 33.01 31.95 2uwe s GLN 235 CO 0.29 -0.34 0.02 -0.80 -1.32 0.00 0.00 175.29 173.14 2uwe s ASN 236 N -2.52 5.32 -0.11 12.60 0.01 -1.26 -0.68 114.94 128.30 2uwe s ASN 236 Ca 0.00 0.02 0.01 0.00 -0.71 0.00 0.00 52.86 52.18 2uwe s ASN 236 Cb 0.01 -1.87 0.02 0.00 0.41 0.00 0.00 41.25 39.82 2uwe s ASN 236 CO -0.08 0.19 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.92 2uwe s ILE 237 N 0.27 1.41 0.17 0.60 1.01 -0.73 -4.97 121.20 118.95 2uwe s ILE 237 Ca 0.01 -0.58 0.10 0.00 0.00 0.00 0.00 60.65 60.17 2uwe s ILE 237 Cb -0.13 -1.31 -0.04 0.00 0.01 0.00 0.00 42.46 40.99 2uwe s ILE 237 CO 0.01 0.42 -0.21 -0.44 0.00 0.00 0.00 174.94 174.73 2uwe s SER 238 N 1.08 2.99 -0.02 3.58 0.01 -1.26 -1.50 113.70 118.57 2uwe s SER 238 Ca -0.05 -0.84 0.02 0.00 1.31 0.00 0.00 55.95 56.39 2uwe s SER 238 Cb -0.15 -0.20 0.00 0.00 0.21 0.00 0.00 66.02 65.89 2uwe s SER 238 CO -0.03 0.05 -0.07 0.00 0.41 0.00 0.00 173.24 173.60 2uwe s ALA 239 N -1.74 0.73 0.17 1.44 0.00 -0.95 -4.90 121.76 116.51 2uwe s ALA 239 Ca 0.16 -0.26 0.04 0.00 0.00 0.00 0.00 51.96 51.91 2uwe s ALA 239 Cb -0.07 -0.29 -0.05 0.00 0.00 0.00 0.00 23.12 22.71 2uwe s ALA 239 CO 0.08 0.11 -0.07 -1.83 0.00 0.00 0.00 175.76 174.04 2uwe s GLU 240 N 0.25 1.14 0.11 0.00 -1.05 -1.26 -1.81 118.70 116.08 2uwe s GLU 240 Ca -0.03 -1.52 -0.17 0.00 -0.15 0.00 0.00 54.97 53.10 2uwe s GLU 240 Cb -0.08 -0.62 0.04 0.00 -0.44 0.00 0.00 34.13 33.03 2uwe s GLU 240 CO 0.00 0.03 0.42 0.00 0.95 0.00 0.00 175.26 176.66 2uwe s ALA 241 N -3.35 -1.02 0.36 -0.84 0.00 0.56 -4.96 121.76 112.51 2uwe s ALA 241 Ca 0.20 0.08 0.09 0.00 0.00 0.00 0.00 51.96 52.33 2uwe s ALA 241 Cb 0.03 0.64 -0.07 0.00 0.00 0.00 0.00 23.12 23.73 2uwe s ALA 241 CO 0.03 -0.62 -0.06 -1.58 0.00 0.00 0.00 175.76 173.53 2uwe s TRP 242 N -3.55 2.45 0.37 0.00 0.51 -1.26 -0.38 118.94 117.08 2uwe s TRP 242 Ca 0.01 -0.52 -0.28 0.00 -2.12 0.00 0.00 56.10 53.20 2uwe s TRP 242 Cb 0.01 -1.48 -0.10 0.00 -0.81 0.00 0.00 33.47 31.09 2uwe s TRP 242 CO -0.10 0.54 1.37 0.20 -0.51 0.00 0.00 176.95 178.44 2uwe s GLY 243 N -3.65 2.96 -0.03 0.98 0.00 -0.70 -4.97 107.32 101.91 2uwe s GLY 243 Ca 0.33 1.36 0.04 0.00 0.00 0.00 0.00 44.72 46.46 2uwe s GLY 243 CO 0.17 2.00 -0.16 0.50 0.00 0.00 0.00 173.10 175.62 2uwe s ARG 244 N -2.04 1.48 0.00 2.90 0.52 -0.77 -4.06 118.95 116.97 2uwe s ARG 244 Ca 0.53 -0.55 0.15 0.00 -0.52 0.00 0.00 55.73 55.34 2uwe s ARG 244 Cb -0.42 -1.34 0.90 0.00 0.52 0.00 0.00 34.95 34.61 2uwe s ARG 244 CO 0.55 0.26 1.31 0.00 0.02 0.00 0.00 175.30 177.45