#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4er1 s THR -1 N 0.00 0.32 0.13 6.66 -4.23 -1.26 -1.88 115.64 115.37 4er1 s THR -1 Ca 0.00 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.40 4er1 s THR -1 Cb 0.00 -2.52 0.01 0.00 1.34 0.00 0.00 72.50 71.33 4er1 s THR -1 CO 0.00 0.00 0.29 -0.83 -0.54 0.00 0.00 174.62 173.54 4er1 s GLY 0 N -3.36 0.10 -0.15 3.99 0.00 -0.62 -3.95 107.32 103.34 4er1 s GLY 0 Ca 0.36 -0.53 -0.10 0.00 0.00 0.00 0.00 44.72 44.45 4er1 s GLY 0 CO 0.17 -0.66 0.37 -0.45 0.00 0.00 0.00 173.10 172.53 4er1 s SER 1 N -2.88 -0.43 -0.04 1.64 0.15 -0.72 -0.14 113.70 111.27 4er1 s SER 1 Ca 0.08 0.78 -0.07 0.00 0.70 0.00 0.00 55.95 57.44 4er1 s SER 1 Cb 0.03 0.70 0.01 0.00 -1.71 0.00 0.00 66.02 65.06 4er1 s SER 1 CO -0.08 -0.17 0.17 0.00 1.20 0.00 0.00 173.24 174.36 4er1 s ALA 2 N 0.97 -0.41 0.13 5.45 0.00 -0.83 -4.40 121.76 122.68 4er1 s ALA 2 Ca -0.06 0.28 -0.24 0.00 0.00 0.00 0.00 51.96 51.94 4er1 s ALA 2 Cb -0.07 -0.14 -0.07 0.00 0.00 0.00 0.00 23.12 22.83 4er1 s ALA 2 CO -0.08 -0.13 0.72 0.99 0.00 0.00 0.00 175.76 177.26 4er1 s THR 3 N -0.45 4.50 -0.06 0.00 2.01 -1.26 -1.03 115.64 119.35 4er1 s THR 3 Ca -0.05 1.57 0.06 0.00 0.31 0.00 0.00 61.69 63.57 4er1 s THR 3 Cb -0.04 -4.07 -0.01 0.00 0.01 0.00 0.00 72.50 68.39 4er1 s THR 3 CO 0.01 0.52 -0.23 0.28 -0.69 0.00 0.00 174.62 174.50 4er1 s THR 4 N -1.02 2.19 0.01 -0.82 -1.32 -0.38 -4.34 115.64 109.97 4er1 s THR 4 Ca 0.34 -1.02 0.07 0.00 -1.21 0.00 0.00 61.69 59.88 4er1 s THR 4 Cb -0.22 -1.81 -0.02 0.00 -1.51 0.00 0.00 72.50 68.94 4er1 s THR 4 CO 0.24 0.57 -0.22 -0.89 -2.21 0.00 0.00 174.62 172.11 4er1 s THR 5 N -0.18 1.76 0.41 5.08 2.01 -0.33 -0.36 115.64 124.03 4er1 s THR 5 Ca -0.03 -1.08 -0.24 0.00 0.31 0.00 0.00 61.69 60.65 4er1 s THR 5 Cb -0.14 -1.49 -0.09 0.00 0.01 0.00 0.00 72.50 70.80 4er1 s THR 5 CO 0.04 0.38 1.10 -2.16 -0.69 0.00 0.00 174.62 173.28 4er1 s PRO 6 N -0.83 4.08 0.28 4.92 0.04 -1.26 -0.23 135.00 142.00 4er1 s PRO 6 Ca 0.09 1.63 0.25 0.00 0.04 0.00 0.00 61.00 63.01 4er1 s PRO 6 Cb -0.09 -2.56 0.94 0.00 0.04 0.00 0.00 34.50 32.83 4er1 s PRO 6 CO 0.00 -0.24 1.75 -0.84 0.04 0.00 0.00 177.00 177.71 4er1 h ILE 7 N 2.18 0.00 -2.58 0.56 3.07 -1.14 -3.45 117.51 116.15 4er1 h ILE 7 Ca -0.48 -0.37 -0.04 0.00 1.55 0.00 0.00 64.86 65.51 4er1 h ILE 7 Cb 1.22 1.22 -0.00 0.00 -0.27 0.00 0.00 36.82 38.99 4er1 h ILE 7 CO 0.62 0.00 0.08 -0.90 -1.05 0.00 0.00 178.15 176.90 4er1 n ASP 8 N -2.36 -0.95 -0.26 2.16 3.85 -1.26 -5.04 116.55 112.69 4er1 n ASP 8 Ca 0.03 -1.77 0.14 0.00 -0.71 0.00 0.00 54.79 52.48 4er1 n ASP 8 Cb 0.31 1.61 0.48 0.00 -1.35 0.00 0.00 41.12 42.18 4er1 n ASP 8 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 4er1 n SER 9 N -1.41 0.98 -0.33 -1.12 3.41 -1.26 -2.89 113.62 110.99 4er1 n SER 9 Ca -0.03 -0.97 0.13 0.00 -0.26 0.00 0.00 58.87 57.75 4er1 n SER 9 Cb 0.27 0.05 0.41 0.00 -0.26 0.00 0.00 64.21 64.68 4er1 n SER 9 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 4er1 n LEU 10 N -0.53 1.22 -3.08 1.04 4.77 -1.26 -4.92 117.00 114.23 4er1 n LEU 10 Ca 0.15 -0.36 -0.18 0.00 -0.03 0.00 0.00 56.01 55.59 4er1 n LEU 10 Cb 0.33 -0.08 0.07 0.00 -2.33 0.00 0.00 43.42 41.40 4er1 n LEU 10 CO 0.23 0.22 0.16 0.47 -1.33 0.00 0.00 177.39 177.14 4er1 n ASP 11 N -0.36 -4.14 0.22 -1.43 8.00 -1.14 -4.89 116.55 112.81 4er1 n ASP 11 Ca 0.14 -0.48 0.10 0.00 0.71 0.00 0.00 54.79 55.26 4er1 n ASP 11 Cb 0.36 -4.35 0.48 0.00 -0.02 0.00 0.00 41.12 37.59 4er1 n ASP 11 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 4er1 h ASP 12 N -1.99 0.00 -5.34 -2.24 3.32 -1.93 -3.46 116.42 104.78 4er1 h ASP 12 Ca -0.49 0.00 0.20 0.00 0.02 0.00 0.00 57.03 56.77 4er1 h ASP 12 Cb 1.30 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.75 4er1 h ASP 12 CO 0.45 0.22 0.55 0.00 -1.72 0.00 0.00 179.24 178.74 4er1 s ALA 13 N -3.69 -1.78 -0.01 3.45 0.00 -1.26 -4.48 121.76 113.98 4er1 s ALA 13 Ca 0.00 0.33 0.07 0.00 0.00 0.00 0.00 51.96 52.36 4er1 s ALA 13 Cb 0.10 0.56 -0.02 0.00 0.00 0.00 0.00 23.12 23.76 4er1 s ALA 13 CO 0.63 -1.01 -0.24 0.71 0.00 0.00 0.00 175.76 175.86 4er1 s TYR 14 N -3.10 2.13 0.13 0.00 2.02 -1.26 -0.48 117.35 116.79 4er1 s TYR 14 Ca 0.12 -0.40 0.08 0.00 -0.37 0.00 0.00 57.07 56.50 4er1 s TYR 14 Cb -0.00 -1.36 -0.04 0.00 -0.40 0.00 0.00 41.96 40.15 4er1 s TYR 14 CO 0.00 -0.03 -0.11 0.96 -1.57 0.00 0.00 175.55 174.80 4er1 s ILE 15 N -0.57 3.22 -0.01 2.71 -4.36 0.67 -4.27 121.20 118.59 4er1 s ILE 15 Ca 0.09 -1.44 0.01 0.00 -0.26 0.00 0.00 60.65 59.05 4er1 s ILE 15 Cb -0.09 -2.53 0.01 0.00 1.25 0.00 0.00 42.46 41.10 4er1 s ILE 15 CO -0.01 0.03 -0.01 -0.89 0.24 0.00 0.00 174.94 174.31 4er1 s THR 16 N -1.36 0.14 0.35 8.37 2.01 -0.24 -1.19 115.64 123.72 4er1 s THR 16 Ca 0.22 -0.01 -0.26 0.00 0.31 0.00 0.00 61.69 61.95 4er1 s THR 16 Cb -0.10 -0.17 -0.09 0.00 0.01 0.00 0.00 72.50 72.15 4er1 s THR 16 CO 0.14 0.08 1.05 -2.16 -0.69 0.00 0.00 174.62 173.03 4er1 s PRO 17 N 0.34 4.38 -0.00 4.92 0.04 -1.26 -1.00 135.00 142.42 4er1 s PRO 17 Ca -0.03 1.58 0.01 0.00 0.04 0.00 0.00 61.00 62.61 4er1 s PRO 17 Cb -0.05 -2.80 -0.00 0.00 0.04 0.00 0.00 34.50 31.68 4er1 s PRO 17 CO -0.01 0.04 -0.05 0.08 0.04 0.00 0.00 177.00 177.10 4er1 s VAL 18 N -1.48 0.36 -0.32 -0.36 1.01 0.35 -4.56 120.40 115.40 4er1 s VAL 18 Ca 0.52 -0.19 -0.10 0.00 0.00 0.00 0.00 61.98 62.21 4er1 s VAL 18 Cb -0.25 -0.31 -0.01 0.00 0.00 0.00 0.00 36.38 35.81 4er1 s VAL 18 CO 0.32 0.10 0.17 -1.10 0.00 0.00 0.00 175.10 174.59 4er1 s GLN 19 N -0.08 3.32 -0.11 2.72 1.11 -0.70 -1.21 119.66 124.70 4er1 s GLN 19 Ca 0.01 -0.73 0.01 0.00 0.01 0.00 0.00 55.36 54.66 4er1 s GLN 19 Cb -0.02 -3.60 -0.02 0.00 -1.01 0.00 0.00 33.01 28.36 4er1 s GLN 19 CO -0.00 -0.44 -0.14 0.42 0.01 0.00 0.00 175.29 175.14 4er1 s ILE 20 N 1.62 2.98 0.00 1.08 1.01 0.54 -0.44 121.20 128.00 4er1 s ILE 20 Ca 0.05 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 60.00 4er1 s ILE 20 Cb -0.17 -2.23 0.00 0.00 0.01 0.00 0.00 42.46 40.07 4er1 s ILE 20 CO 0.07 0.54 0.00 0.61 0.00 0.00 0.00 174.94 176.16 4er1 n GLY 21 N 3.31 1.07 2.82 6.18 0.00 0.18 -1.65 105.19 117.10 4er1 n GLY 21 Ca -0.18 -2.06 -0.16 0.00 0.00 0.00 0.00 46.02 43.62 4er1 n GLY 21 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 4er1 s THR 22 N -1.63 -0.13 0.85 2.61 2.01 -1.26 -3.18 115.64 114.91 4er1 s THR 22 Ca 0.00 0.29 -0.10 0.00 0.31 0.00 0.00 61.69 62.19 4er1 s THR 22 Cb 0.00 -0.21 0.10 0.00 0.01 0.00 0.00 72.50 72.40 4er1 s THR 22 CO 0.00 0.12 1.11 -2.16 -0.69 0.00 0.00 174.62 173.00 4er1 s PRO 23 N 1.71 1.62 0.06 4.92 0.04 -1.26 -0.41 135.00 141.68 4er1 s PRO 23 Ca -0.02 1.27 -0.36 0.00 0.04 0.00 0.00 61.00 61.93 4er1 s PRO 23 Cb -0.12 -1.82 -0.15 0.00 0.04 0.00 0.00 34.50 32.45 4er1 s PRO 23 CO -0.05 -2.12 1.53 0.00 0.04 0.00 0.00 177.00 176.40 4er1 n ALA 24 N -3.86 0.20 -2.90 8.56 0.00 -1.19 -4.89 120.51 116.44 4er1 n ALA 24 Ca 0.10 0.45 -0.34 0.00 0.00 0.00 0.00 53.44 53.65 4er1 n ALA 24 Cb 0.53 -2.24 -0.11 0.00 0.00 0.00 0.00 19.45 17.63 4er1 n ALA 24 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 4er1 s GLN 25 N 1.34 3.74 -0.21 0.00 -0.21 -0.66 -4.89 119.66 118.78 4er1 s GLN 25 Ca 0.85 -0.46 -0.09 0.00 0.02 0.00 0.00 55.36 55.68 4er1 s GLN 25 Cb -0.83 -3.01 -0.05 0.00 1.00 0.00 0.00 33.01 30.12 4er1 s GLN 25 CO 0.46 0.28 0.11 0.99 -2.12 0.00 0.00 175.29 175.01 4er1 s THR 26 N 0.30 5.14 0.10 -0.19 2.01 -1.26 -0.34 115.64 121.39 4er1 s THR 26 Ca -0.01 0.10 0.08 0.00 0.31 0.00 0.00 61.69 62.16 4er1 s THR 26 Cb -0.13 -3.35 -0.03 0.00 0.01 0.00 0.00 72.50 68.99 4er1 s THR 26 CO 0.02 0.42 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.41 4er1 s LEU 27 N 0.61 2.29 -0.38 4.42 1.02 -0.35 -4.95 118.68 121.35 4er1 s LEU 27 Ca 0.06 -0.67 -0.12 0.00 0.02 0.00 0.00 54.13 53.42 4er1 s LEU 27 Cb -0.12 -0.81 0.02 0.00 0.02 0.00 0.00 46.19 45.30 4er1 s LEU 27 CO 0.01 0.03 0.24 0.20 0.02 0.00 0.00 176.35 176.85 4er1 s ASN 28 N -1.87 5.87 -0.00 2.29 0.02 -1.26 -0.49 114.94 119.49 4er1 s ASN 28 Ca 0.05 -0.89 -0.02 0.00 -1.02 0.00 0.00 52.86 50.97 4er1 s ASN 28 Cb -0.10 -2.08 -0.04 0.00 0.02 0.00 0.00 41.25 39.05 4er1 s ASN 28 CO 0.04 -0.38 0.17 -0.76 0.02 0.00 0.00 177.10 176.19 4er1 s LEU 29 N 1.61 4.31 -0.37 0.60 1.43 -0.17 -1.63 118.68 124.47 4er1 s LEU 29 Ca 0.03 0.31 -0.26 0.00 -1.03 0.00 0.00 54.13 53.19 4er1 s LEU 29 Cb -0.19 -2.60 0.02 0.00 0.03 0.00 0.00 46.19 43.44 4er1 s LEU 29 CO 0.08 0.25 0.93 -0.62 0.23 0.00 0.00 176.35 177.22 4er1 s ASP 30 N -1.97 6.67 -0.12 2.29 -1.08 -0.71 -1.08 116.67 120.67 4er1 s ASP 30 Ca 0.27 0.55 -0.29 0.00 -0.52 0.00 0.00 52.55 52.56 4er1 s ASP 30 Cb -0.13 -2.46 -0.01 0.00 -1.46 0.00 0.00 42.92 38.86 4er1 s ASP 30 CO 0.19 -0.87 1.04 -0.36 0.52 0.00 0.00 175.17 175.68 4er1 s PHE 31 N 3.50 3.45 -0.28 -5.34 2.99 -1.26 -1.31 117.98 119.73 4er1 s PHE 31 Ca 0.38 1.53 0.01 0.00 0.00 0.00 0.00 56.93 58.85 4er1 s PHE 31 Cb -0.12 -3.23 0.08 0.00 0.00 0.00 0.00 43.02 39.75 4er1 s PHE 31 CO 0.19 -0.40 0.01 0.34 -0.00 0.00 0.00 175.22 175.37 4er1 s ASP 32 N 1.16 4.11 0.00 1.36 2.15 0.14 -4.30 116.67 121.30 4er1 s ASP 32 Ca 0.49 -1.54 0.20 0.00 0.43 0.00 0.00 52.55 52.13 4er1 s ASP 32 Cb -0.19 -1.20 1.18 0.00 -0.30 0.00 0.00 42.92 42.41 4er1 s ASP 32 CO 0.17 -0.32 1.76 0.35 -0.17 0.00 0.00 175.17 176.96 4er1 n THR 33 N 4.62 0.01 -0.28 1.71 -2.24 -1.26 -1.05 114.28 115.78 4er1 n THR 33 Ca -0.05 -0.02 0.11 0.00 -2.27 0.00 0.00 64.05 61.82 4er1 n THR 33 Cb 0.43 -0.28 0.32 0.00 -2.10 0.00 0.00 70.33 68.70 4er1 n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 4er1 n GLY 34 N 0.83 2.33 3.78 3.38 0.00 -1.26 -3.53 105.19 110.71 4er1 n GLY 34 Ca 0.15 -0.77 -0.09 0.00 0.00 0.00 0.00 46.02 45.31 4er1 n GLY 34 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 4er1 s SER 35 N -0.97 0.10 0.00 1.61 1.04 -1.16 -4.92 113.70 109.41 4er1 s SER 35 Ca 0.47 -1.21 0.18 0.00 0.48 0.00 0.00 55.95 55.87 4er1 s SER 35 Cb 0.26 0.85 0.30 0.00 0.10 0.00 0.00 66.02 67.53 4er1 s SER 35 CO 0.30 -1.68 1.12 -1.20 0.98 0.00 0.00 173.24 172.75 4er1 n SER 36 N -1.48 0.70 -4.49 7.02 7.64 -1.26 -1.39 113.62 120.36 4er1 n SER 36 Ca -0.08 -2.00 -0.33 0.00 1.01 0.00 0.00 58.87 57.47 4er1 n SER 36 Cb 0.60 -0.27 -0.13 0.00 -1.01 0.00 0.00 64.21 63.40 4er1 n SER 36 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 4er1 s ASP 37 N -1.70 4.13 -0.41 6.43 1.11 -1.26 -4.41 116.67 120.55 4er1 s ASP 37 Ca 0.24 -0.17 -0.09 0.00 0.18 0.00 0.00 52.55 52.71 4er1 s ASP 37 Cb 0.27 -0.91 0.07 0.00 1.07 0.00 0.00 42.92 43.43 4er1 s ASP 37 CO -0.12 0.35 0.24 -0.22 1.18 0.00 0.00 175.17 176.60 4er1 s LEU 38 N -0.74 5.05 0.17 1.23 0.20 -1.26 -1.67 118.68 121.66 4er1 s LEU 38 Ca 0.11 -1.45 0.09 0.00 0.69 0.00 0.00 54.13 53.58 4er1 s LEU 38 Cb -0.11 -1.98 -0.04 0.00 -0.43 0.00 0.00 46.19 43.64 4er1 s LEU 38 CO 0.01 -0.51 -0.19 -1.66 -0.29 0.00 0.00 176.35 173.71 4er1 s TRP 39 N 1.43 1.85 0.05 5.38 1.48 -0.78 -1.25 118.94 127.10 4er1 s TRP 39 Ca 0.03 -0.46 0.00 0.00 -1.06 0.00 0.00 56.10 54.61 4er1 s TRP 39 Cb -0.22 -0.92 -0.03 0.00 -1.16 0.00 0.00 33.47 31.13 4er1 s TRP 39 CO 0.02 0.34 -0.04 0.14 -4.06 0.00 0.00 176.95 173.36 4er1 s VAL 40 N -2.03 0.30 0.57 -0.66 -7.23 0.34 -1.60 120.40 110.09 4er1 s VAL 40 Ca 0.16 -1.51 -0.20 0.00 -1.81 0.00 0.00 61.98 58.61 4er1 s VAL 40 Cb -0.06 -1.11 -0.04 0.00 0.56 0.00 0.00 36.38 35.73 4er1 s VAL 40 CO 0.07 -0.78 1.28 -0.36 -0.31 0.00 0.00 175.10 175.00 4er1 s PHE 41 N -2.95 2.34 0.32 2.82 0.40 -0.72 -2.04 117.98 118.16 4er1 s PHE 41 Ca -0.00 1.45 -0.12 0.00 -0.60 0.00 0.00 56.93 57.66 4er1 s PHE 41 Cb 0.01 -3.65 0.02 0.00 0.51 0.00 0.00 43.02 39.91 4er1 s PHE 41 CO -0.06 -2.57 0.61 -1.54 0.70 0.00 0.00 175.22 172.37 4er1 s SER 42 N -1.24 0.18 0.20 1.36 1.04 -1.26 -0.06 113.70 113.91 4er1 s SER 42 Ca 0.74 -1.09 0.14 0.00 0.48 0.00 0.00 55.95 56.22 4er1 s SER 42 Cb -0.36 0.71 0.74 0.00 0.10 0.00 0.00 66.02 67.21 4er1 s SER 42 CO 0.41 -1.38 1.43 -1.54 0.98 0.00 0.00 173.24 173.13 4er1 n SER 43 N -0.98 0.35 0.06 7.02 3.41 -0.09 -2.59 113.62 120.80 4er1 n SER 43 Ca -0.03 0.66 0.11 0.00 -0.26 0.00 0.00 58.87 59.35 4er1 n SER 43 Cb 0.61 -0.71 -0.01 0.00 -0.26 0.00 0.00 64.21 63.84 4er1 n SER 43 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 4er1 n GLU 44 N -1.97 0.51 -2.11 4.33 1.02 -1.26 -4.93 120.64 116.23 4er1 n GLU 44 Ca -0.01 0.04 -0.41 0.00 -0.02 0.00 0.00 57.16 56.76 4er1 n GLU 44 Cb 0.03 -1.71 -0.03 0.00 -0.02 0.00 0.00 31.44 29.72 4er1 n GLU 44 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 4er1 s THR 45 N -3.33 2.88 -0.19 2.62 2.01 -1.06 -4.56 115.64 114.00 4er1 s THR 45 Ca -0.00 0.76 -0.38 0.00 0.31 0.00 0.00 61.69 62.37 4er1 s THR 45 Cb 0.12 -3.48 -0.15 0.00 0.01 0.00 0.00 72.50 69.00 4er1 s THR 45 CO 0.81 0.13 1.73 0.41 -0.69 0.00 0.00 174.62 177.00 4er1 n THR 46 N 2.24 0.32 -0.26 -0.82 -1.04 -0.84 -4.83 114.28 109.06 4er1 n THR 46 Ca 0.06 -0.06 0.07 0.00 -2.04 0.00 0.00 64.05 62.08 4er1 n THR 46 Cb 0.41 -1.32 0.20 0.00 -1.82 0.00 0.00 70.33 67.81 4er1 n THR 46 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 4er1 h ALA 47 N 7.30 1.02 0.00 2.41 0.00 -1.93 0.33 119.26 128.39 4er1 h ALA 47 Ca -0.47 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.62 4er1 h ALA 47 Cb 1.31 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.35 4er1 h ALA 47 CO 0.94 -0.36 0.00 -1.13 0.00 0.00 0.00 179.25 178.70 4er1 n SER 48 N -5.17 0.00 -0.54 0.00 3.41 -1.26 -2.33 113.62 107.73 4er1 n SER 48 Ca 0.16 -0.57 0.09 0.00 -0.26 0.00 0.00 58.87 58.28 4er1 n SER 48 Cb 0.50 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.66 4er1 n SER 48 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 4er1 n GLU 49 N -0.97 2.28 -3.89 4.33 1.02 0.11 -4.92 120.64 118.59 4er1 n GLU 49 Ca 0.12 -2.69 -0.30 0.00 -0.02 0.00 0.00 57.16 54.27 4er1 n GLU 49 Cb 0.06 -1.68 -0.15 0.00 -0.02 0.00 0.00 31.44 29.65 4er1 n GLU 49 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 4er1 s VAL 50 N -2.76 1.69 -0.88 2.62 1.01 -0.98 -4.42 120.40 116.68 4er1 s VAL 50 Ca 0.37 -2.00 -0.10 0.00 0.00 0.00 0.00 61.98 60.25 4er1 s VAL 50 Cb 0.30 -2.25 0.23 0.00 0.00 0.00 0.00 36.38 34.65 4er1 s VAL 50 CO 0.07 -0.65 0.81 1.51 0.00 0.00 0.00 175.10 176.83 4er1 s ASP 51 N 1.14 6.60 0.00 3.32 3.84 -1.23 -4.79 116.67 125.55 4er1 s ASP 51 Ca 0.11 -3.04 0.00 0.00 -0.00 0.00 0.00 52.55 49.61 4er1 s ASP 51 Cb -0.19 -2.13 0.00 0.00 -1.38 0.00 0.00 42.92 39.23 4er1 s ASP 51 CO -0.15 -0.43 0.00 0.61 -0.00 0.00 0.00 175.17 175.20 4er1 n GLY 52 N 3.42 0.45 3.79 2.12 0.00 -1.26 -4.22 105.19 109.49 4er1 n GLY 52 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 4er1 n GLY 52 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 4er1 s GLN 53 N -0.56 2.50 -0.13 1.61 1.11 -1.26 -4.94 119.66 117.99 4er1 s GLN 53 Ca 0.00 0.99 -0.20 0.00 0.01 0.00 0.00 55.36 56.16 4er1 s GLN 53 Cb 0.00 -1.94 -0.04 0.00 -1.01 0.00 0.00 33.01 30.02 4er1 s GLN 53 CO 0.00 -1.42 0.54 0.99 0.01 0.00 0.00 175.29 175.42 4er1 s THR 54 N -3.00 5.13 0.06 -0.19 2.01 -1.26 -5.07 115.64 113.32 4er1 s THR 54 Ca 0.60 1.08 0.01 0.00 0.31 0.00 0.00 61.69 63.69 4er1 s THR 54 Cb -0.15 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 68.44 4er1 s THR 54 CO 0.55 0.27 0.15 0.27 -0.69 0.00 0.00 174.62 175.17 4er1 s ILE 55 N 0.92 5.00 -0.05 1.82 -4.36 -1.26 -4.67 121.20 118.60 4er1 s ILE 55 Ca 0.28 -0.54 -0.17 0.00 -0.26 0.00 0.00 60.65 59.96 4er1 s ILE 55 Cb -0.16 -3.42 -0.05 0.00 1.25 0.00 0.00 42.46 40.08 4er1 s ILE 55 CO 0.12 0.15 0.48 -0.47 0.24 0.00 0.00 174.94 175.46 4er1 s TYR 56 N -1.43 3.63 -0.39 1.37 6.04 0.92 -4.86 117.35 122.62 4er1 s TYR 56 Ca 0.32 0.99 -0.02 0.00 0.04 0.00 0.00 57.07 58.40 4er1 s TYR 56 Cb -0.13 -2.47 0.10 0.00 -1.04 0.00 0.00 41.96 38.43 4er1 s TYR 56 CO 0.24 0.38 0.17 0.99 -1.54 0.00 0.00 175.55 175.79 4er1 s THR 57 N -0.18 3.19 0.55 4.34 2.01 -1.26 -0.91 115.64 123.38 4er1 s THR 57 Ca 0.26 -1.99 0.35 0.00 0.31 0.00 0.00 61.69 60.63 4er1 s THR 57 Cb -0.16 -3.15 0.38 0.00 0.01 0.00 0.00 72.50 69.57 4er1 s THR 57 CO 0.13 -0.61 2.25 1.55 -0.69 0.00 0.00 174.62 177.24 4er1 h PRO 58 N 8.01 0.00 0.00 4.92 0.13 -1.97 -1.69 132.00 141.41 4er1 h PRO 58 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 4er1 h PRO 58 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 4er1 h PRO 58 CO 0.66 0.02 0.00 -1.13 -0.23 0.00 0.00 178.00 177.33 4er1 n SER 59 N -3.46 0.00 -0.75 1.44 3.41 -1.26 -1.93 113.62 111.07 4er1 n SER 59 Ca -0.02 0.27 0.12 0.00 -0.26 0.00 0.00 58.87 58.98 4er1 n SER 59 Cb 0.12 -0.42 0.06 0.00 -0.26 0.00 0.00 64.21 63.72 4er1 n SER 59 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 4er1 n LYS 60 N -1.42 1.83 -3.38 4.33 5.02 -0.63 -4.86 118.16 119.05 4er1 n LYS 60 Ca 0.09 -1.51 -0.39 0.00 -2.02 0.00 0.00 58.31 54.48 4er1 n LYS 60 Cb 0.27 -1.47 -0.08 0.00 -0.02 0.00 0.00 35.03 33.73 4er1 n LYS 60 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 4er1 s SER 61 N -2.21 6.35 0.36 4.39 0.15 -0.81 -4.35 113.70 117.57 4er1 s SER 61 Ca 0.24 0.41 0.27 0.00 0.70 0.00 0.00 55.95 57.56 4er1 s SER 61 Cb 0.19 -2.23 0.87 0.00 -1.71 0.00 0.00 66.02 63.15 4er1 s SER 61 CO 0.42 -0.15 1.77 0.71 1.20 0.00 0.00 173.24 177.19 4er1 h THR 62 N 5.23 0.00 -0.28 6.45 1.35 -1.02 -3.00 112.91 121.63 4er1 h THR 62 Ca -0.33 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 64.98 4er1 h THR 62 Cb 1.16 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 69.06 4er1 h THR 62 CO 0.68 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 176.30 4er1 n THR 63 N -2.65 0.36 -2.89 6.82 -2.24 -1.26 -4.97 114.28 107.44 4er1 n THR 63 Ca 0.03 -0.61 -0.35 0.00 -2.27 0.00 0.00 64.05 60.84 4er1 n THR 63 Cb 0.38 0.91 -0.06 0.00 -2.10 0.00 0.00 70.33 69.46 4er1 n THR 63 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 4er1 s ALA 63 N -1.64 3.22 -0.00 6.98 0.00 -1.14 -4.52 121.76 124.65 4er1 s ALA 63 Ca 0.36 0.37 0.01 0.00 0.00 0.00 0.00 51.96 52.71 4er1 s ALA 63 Cb 0.21 -3.06 -0.00 0.00 0.00 0.00 0.00 23.12 20.26 4er1 s ALA 63 CO 0.30 0.21 -0.04 0.15 0.00 0.00 0.00 175.76 176.38 4er1 s LYS 64 N -2.43 0.36 0.16 0.00 1.02 0.15 -4.97 119.74 114.03 4er1 s LYS 64 Ca 0.52 -0.18 -0.30 0.00 0.02 0.00 0.00 55.97 56.03 4er1 s LYS 64 Cb -0.15 -0.33 -0.08 0.00 -0.52 0.00 0.00 37.83 36.75 4er1 s LYS 64 CO 0.20 0.09 1.29 -1.17 -0.92 0.00 0.00 175.35 174.84 4er1 s LEU 65 N -0.17 4.41 -0.67 3.17 2.96 -1.26 -0.23 118.68 126.88 4er1 s LEU 65 Ca 0.01 2.30 -0.19 0.00 -0.22 0.00 0.00 54.13 56.03 4er1 s LEU 65 Cb -0.02 -3.60 0.11 0.00 0.50 0.00 0.00 46.19 43.18 4er1 s LEU 65 CO -0.00 -0.52 0.83 -0.22 -1.32 0.00 0.00 176.35 175.12 4er1 s LEU 66 N 0.30 5.22 -0.02 -0.68 2.96 0.27 -4.87 118.68 121.86 4er1 s LEU 66 Ca 0.58 -1.52 -0.38 0.00 -0.22 0.00 0.00 54.13 52.60 4er1 s LEU 66 Cb -0.35 -2.34 -0.17 0.00 0.50 0.00 0.00 46.19 43.84 4er1 s LEU 66 CO 0.35 -1.14 1.44 -1.20 -1.32 0.00 0.00 176.35 174.47 4er1 n SER 67 N 6.51 1.76 0.00 3.68 7.64 -1.26 -2.31 113.62 129.63 4er1 n SER 67 Ca -0.02 1.11 0.00 0.00 1.01 0.00 0.00 58.87 60.97 4er1 n SER 67 Cb 0.44 -1.16 0.00 0.00 -1.01 0.00 0.00 64.21 62.48 4er1 n SER 67 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 4er1 n GLY 68 N 2.94 2.92 3.80 0.23 0.00 -1.26 -5.00 105.19 108.81 4er1 n GLY 68 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 4er1 n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4er1 s ALA 69 N -1.76 3.57 0.35 4.61 0.00 -0.98 -4.58 121.76 122.97 4er1 s ALA 69 Ca 0.00 -0.01 0.04 0.00 0.00 0.00 0.00 51.96 51.98 4er1 s ALA 69 Cb 0.00 -2.63 -0.04 0.00 0.00 0.00 0.00 23.12 20.45 4er1 s ALA 69 CO 0.00 0.33 0.13 0.95 0.00 0.00 0.00 175.76 177.17 4er1 s THR 70 N -0.76 0.58 0.05 0.00 -4.23 -0.66 -3.80 115.64 106.83 4er1 s THR 70 Ca 0.29 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.69 4er1 s THR 70 Cb -0.19 -2.50 0.01 0.00 1.34 0.00 0.00 72.50 71.17 4er1 s THR 70 CO 0.17 0.00 0.23 -1.66 -0.54 0.00 0.00 174.62 172.83 4er1 s TRP 71 N -3.39 0.02 -0.24 3.99 1.48 -1.05 -1.79 118.94 117.94 4er1 s TRP 71 Ca 0.31 -0.26 -0.17 0.00 -1.06 0.00 0.00 56.10 54.92 4er1 s TRP 71 Cb 0.05 0.01 0.07 0.00 -1.16 0.00 0.00 33.47 32.44 4er1 s TRP 71 CO 0.16 -0.49 0.62 0.45 -4.06 0.00 0.00 176.95 173.63 4er1 s SER 72 N -2.26 -0.76 -0.01 -2.66 0.15 -1.26 -2.19 113.70 104.70 4er1 s SER 72 Ca -0.03 1.31 -0.00 0.00 0.70 0.00 0.00 55.95 57.93 4er1 s SER 72 Cb 0.00 1.24 0.02 0.00 -1.71 0.00 0.00 66.02 65.56 4er1 s SER 72 CO -0.05 -0.22 0.03 -0.51 1.20 0.00 0.00 173.24 173.68 4er1 s ILE 73 N 1.10 -0.03 0.18 6.45 2.07 -0.81 -4.82 121.20 125.34 4er1 s ILE 73 Ca -0.06 0.11 0.10 0.00 -1.41 0.00 0.00 60.65 59.38 4er1 s ILE 73 Cb -0.05 -0.06 -0.04 0.00 0.13 0.00 0.00 42.46 42.43 4er1 s ILE 73 CO -0.11 0.04 -0.20 -0.94 -1.91 0.00 0.00 174.94 171.82 4er1 s SER 74 N 0.55 2.96 0.51 4.50 1.04 -1.26 -2.47 113.70 119.53 4er1 s SER 74 Ca -0.05 -0.87 0.05 0.00 0.48 0.00 0.00 55.95 55.56 4er1 s SER 74 Cb -0.07 -0.19 0.01 0.00 0.10 0.00 0.00 66.02 65.87 4er1 s SER 74 CO -0.02 0.02 0.26 -0.31 0.98 0.00 0.00 173.24 174.17 4er1 s TYR 75 N -1.93 1.91 0.30 5.02 1.51 -0.41 -4.97 117.35 118.79 4er1 s TYR 75 Ca 0.18 -0.81 0.11 0.00 -1.01 0.00 0.00 57.07 55.54 4er1 s TYR 75 Cb -0.06 -1.86 0.47 0.00 -0.11 0.00 0.00 41.96 40.40 4er1 s TYR 75 CO 0.08 -0.16 1.68 0.78 -1.11 0.00 0.00 175.55 176.82 4er1 h GLY 76 N 1.04 0.01 0.24 0.71 0.00 -2.01 0.37 103.07 103.44 4er1 h GLY 76 Ca -0.40 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 46.92 4er1 h GLY 76 CO 0.64 0.01 0.00 2.09 0.00 0.00 0.00 176.54 179.28 4er1 n ASP 77 N -3.90 0.52 0.00 0.19 5.68 -1.26 -4.90 116.55 112.88 4er1 n ASP 77 Ca -0.01 -1.41 0.00 0.00 -0.50 0.00 0.00 54.79 52.86 4er1 n ASP 77 Cb 0.55 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 4er1 n ASP 77 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 4er1 n GLY 78 N 0.94 2.34 3.97 6.12 0.00 0.13 -5.16 105.19 113.54 4er1 n GLY 78 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 4er1 n GLY 78 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 4er1 s SER 79 N -1.41 4.35 -0.25 1.61 1.04 -1.25 -4.69 113.70 113.09 4er1 s SER 79 Ca 0.00 -0.12 -0.35 0.00 0.48 0.00 0.00 55.95 55.96 4er1 s SER 79 Cb 0.00 -0.31 0.16 0.00 0.10 0.00 0.00 66.02 65.97 4er1 s SER 79 CO 0.00 -1.86 1.31 -0.94 0.98 0.00 0.00 173.24 172.73 4er1 s SER 80 N -4.69 -0.07 0.22 7.02 1.04 -1.03 -1.28 113.70 114.91 4er1 s SER 80 Ca 0.65 0.02 -0.10 0.00 0.48 0.00 0.00 55.95 57.01 4er1 s SER 80 Cb -0.06 0.07 -0.01 0.00 0.10 0.00 0.00 66.02 66.11 4er1 s SER 80 CO 0.45 -0.10 0.38 -0.94 0.98 0.00 0.00 173.24 174.01 4er1 s SER 81 N -1.80 -0.03 0.00 7.02 1.04 -1.15 -1.93 113.70 116.85 4er1 s SER 81 Ca 0.10 -1.00 0.00 0.00 0.48 0.00 0.00 55.95 55.53 4er1 s SER 81 Cb -0.01 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.63 4er1 s SER 81 CO -0.04 -1.04 0.00 0.61 0.98 0.00 0.00 173.24 173.74 4er1 n GLY 82 N -0.34 -0.62 0.06 7.32 0.00 -0.93 -0.56 105.19 110.13 4er1 n GLY 82 Ca -0.02 -0.61 -0.00 0.00 0.00 0.00 0.00 46.02 45.39 4er1 n GLY 82 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 4er1 n ASP 83 N 0.00 1.19 -3.88 1.61 5.68 -0.70 -2.54 116.55 117.91 4er1 n ASP 83 Ca 0.00 -1.04 -0.17 0.00 -0.50 0.00 0.00 54.79 53.08 4er1 n ASP 83 Cb 0.00 0.02 -0.16 0.00 -1.14 0.00 0.00 41.12 39.84 4er1 n ASP 83 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 4er1 s VAL 84 N -1.44 0.34 0.24 2.12 1.01 -1.25 -1.04 120.40 120.38 4er1 s VAL 84 Ca 0.00 -0.07 0.10 0.00 0.00 0.00 0.00 61.98 62.02 4er1 s VAL 84 Cb 0.00 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 4er1 s VAL 84 CO 0.00 0.15 -0.11 -0.31 0.00 0.00 0.00 175.10 174.84 4er1 s TYR 85 N 0.61 2.52 0.03 5.22 2.02 -0.71 -0.56 117.35 126.49 4er1 s TYR 85 Ca -0.07 -0.27 0.04 0.00 -0.37 0.00 0.00 57.07 56.41 4er1 s TYR 85 Cb -0.10 -1.16 -0.04 0.00 -0.40 0.00 0.00 41.96 40.27 4er1 s TYR 85 CO -0.01 0.61 -0.07 0.95 -1.57 0.00 0.00 175.55 175.45 4er1 s THR 86 N -2.13 3.57 0.31 -0.71 -4.23 0.68 0.06 115.64 113.19 4er1 s THR 86 Ca 0.28 -0.92 -0.19 0.00 -1.18 0.00 0.00 61.69 59.68 4er1 s THR 86 Cb -0.07 -2.59 0.03 0.00 1.34 0.00 0.00 72.50 71.21 4er1 s THR 86 CO 0.16 0.31 0.72 -0.62 -0.54 0.00 0.00 174.62 174.64 4er1 s ASP 87 N -1.66 -0.16 0.09 3.99 3.68 -0.80 -0.67 116.67 121.14 4er1 s ASP 87 Ca 0.19 -0.79 -0.30 0.00 2.13 0.00 0.00 52.55 53.78 4er1 s ASP 87 Cb -0.11 0.75 -0.05 0.00 -1.45 0.00 0.00 42.92 42.06 4er1 s ASP 87 CO 0.10 -1.42 0.96 -0.89 0.13 0.00 0.00 175.17 174.04 4er1 s THR 88 N -3.50 4.58 -0.03 1.71 2.01 -1.26 -1.37 115.64 117.78 4er1 s THR 88 Ca 0.13 2.05 0.00 0.00 0.31 0.00 0.00 61.69 64.19 4er1 s THR 88 Cb -0.05 -4.32 0.03 0.00 0.01 0.00 0.00 72.50 68.17 4er1 s THR 88 CO 0.09 0.29 0.01 -0.69 -0.69 0.00 0.00 174.62 173.62 4er1 s VAL 89 N 0.19 0.13 -0.02 3.82 1.01 -0.56 0.51 120.40 125.48 4er1 s VAL 89 Ca 0.48 0.12 0.06 0.00 0.00 0.00 0.00 61.98 62.64 4er1 s VAL 89 Cb -0.23 -0.24 -0.01 0.00 0.00 0.00 0.00 36.38 35.90 4er1 s VAL 89 CO 0.29 0.14 -0.20 -0.44 0.00 0.00 0.00 175.10 174.89 4er1 s SER 90 N 1.08 2.40 -0.12 3.32 0.01 0.42 -0.81 113.70 120.01 4er1 s SER 90 Ca -0.09 -0.37 -0.00 0.00 1.31 0.00 0.00 55.95 56.79 4er1 s SER 90 Cb -0.13 -0.31 0.03 0.00 0.21 0.00 0.00 66.02 65.81 4er1 s SER 90 CO -0.02 0.24 -0.07 -0.69 0.41 0.00 0.00 173.24 173.11 4er1 s VAL 91 N -0.43 1.00 -1.26 3.43 1.01 -0.45 -1.73 120.40 121.97 4er1 s VAL 91 Ca 0.07 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.75 4er1 s VAL 91 Cb -0.08 -1.04 0.00 0.00 0.00 0.00 0.00 36.38 35.26 4er1 s VAL 91 CO -0.00 0.34 0.00 0.61 0.00 0.00 0.00 175.10 176.04 4er1 n GLY 92 N 4.95 0.64 0.15 4.51 0.00 -1.26 -1.21 105.19 112.97 4er1 n GLY 92 Ca -0.12 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.52 4er1 n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4er1 n GLY 93 N -1.21 2.06 3.57 -0.02 0.00 -1.26 -1.76 105.19 106.57 4er1 n GLY 93 Ca -0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 4er1 n GLY 93 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 4er1 s LEU 94 N 0.00 3.77 -0.12 0.99 2.96 -0.35 -4.91 118.68 121.01 4er1 s LEU 94 Ca 0.00 -0.02 0.01 0.00 -0.22 0.00 0.00 54.13 53.90 4er1 s LEU 94 Cb 0.00 -1.99 -0.02 0.00 0.50 0.00 0.00 46.19 44.68 4er1 s LEU 94 CO 0.00 0.06 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.06 4er1 s THR 95 N 1.06 3.00 -0.05 3.68 2.01 -1.26 -1.35 115.64 122.73 4er1 s THR 95 Ca 0.05 -0.69 0.04 0.00 0.31 0.00 0.00 61.69 61.40 4er1 s THR 95 Cb -0.14 -2.24 -0.03 0.00 0.01 0.00 0.00 72.50 70.10 4er1 s THR 95 CO 0.04 0.53 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.66 4er1 s VAL 96 N 0.22 3.03 0.02 3.82 1.01 0.01 -5.00 120.40 123.50 4er1 s VAL 96 Ca -0.09 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.14 4er1 s VAL 96 Cb -0.15 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 4er1 s VAL 96 CO 0.05 0.59 0.17 0.42 0.00 0.00 0.00 175.10 176.34 4er1 s THR 97 N -0.73 5.29 0.00 3.92 -4.23 -1.26 -1.49 115.64 117.14 4er1 s THR 97 Ca 0.11 -0.29 0.00 0.00 -1.18 0.00 0.00 61.69 60.33 4er1 s THR 97 Cb -0.11 -3.50 0.00 0.00 1.34 0.00 0.00 72.50 70.23 4er1 s THR 97 CO 0.00 0.26 0.00 0.61 -0.54 0.00 0.00 174.62 174.95 4er1 n GLY 98 N 0.74 0.56 3.71 3.99 0.00 -0.96 -4.94 105.19 108.29 4er1 n GLY 98 Ca -0.09 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 4er1 n GLY 98 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 4er1 s GLN 99 N -0.91 4.55 0.13 1.61 2.00 -0.47 -4.71 119.66 121.85 4er1 s GLN 99 Ca 0.00 1.44 -0.32 0.00 -2.00 0.00 0.00 55.36 54.48 4er1 s GLN 99 Cb 0.00 -3.46 -0.11 0.00 0.80 0.00 0.00 33.01 30.24 4er1 s GLN 99 CO 0.00 -0.07 1.78 0.00 -0.50 0.00 0.00 175.29 176.50 4er1 n ALA 100 N 3.93 2.09 -4.02 1.58 0.00 -1.26 -1.90 120.51 120.94 4er1 n ALA 100 Ca 0.06 0.35 -0.31 0.00 0.00 0.00 0.00 53.44 53.54 4er1 n ALA 100 Cb 0.51 -2.54 -0.15 0.00 0.00 0.00 0.00 19.45 17.26 4er1 n ALA 100 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 4er1 s VAL 101 N 2.28 1.87 -0.22 0.00 1.01 0.11 -4.63 120.40 120.81 4er1 s VAL 101 Ca 0.81 -1.30 -0.28 0.00 0.00 0.00 0.00 61.98 61.21 4er1 s VAL 101 Cb -0.53 -1.97 0.00 0.00 0.00 0.00 0.00 36.38 33.88 4er1 s VAL 101 CO 0.38 0.07 0.98 -1.61 0.00 0.00 0.00 175.10 174.91 4er1 s GLU 102 N 1.27 4.25 -0.30 2.72 2.02 -0.38 -1.74 118.70 126.54 4er1 s GLU 102 Ca -0.05 1.25 -0.14 0.00 0.02 0.00 0.00 54.97 56.05 4er1 s GLU 102 Cb -0.18 -3.63 -0.03 0.00 0.10 0.00 0.00 34.13 30.39 4er1 s GLU 102 CO -0.07 -0.58 0.34 0.45 0.02 0.00 0.00 175.26 175.43 4er1 s SER 103 N 1.23 6.19 -0.15 -0.19 0.15 -0.21 -0.51 113.70 120.21 4er1 s SER 103 Ca 0.42 0.05 -0.29 0.00 0.70 0.00 0.00 55.95 56.82 4er1 s SER 103 Cb -0.15 -2.19 -0.02 0.00 -1.71 0.00 0.00 66.02 61.95 4er1 s SER 103 CO 0.07 -0.22 1.25 0.00 1.20 0.00 0.00 173.24 175.54 4er1 s ALA 104 N 2.01 3.64 -0.08 5.45 0.00 -0.86 -1.71 121.76 130.20 4er1 s ALA 104 Ca 0.13 0.48 0.14 0.00 0.00 0.00 0.00 51.96 52.70 4er1 s ALA 104 Cb -0.16 -3.61 -0.07 0.00 0.00 0.00 0.00 23.12 19.28 4er1 s ALA 104 CO 0.11 -1.11 1.17 0.87 0.00 0.00 0.00 175.76 176.80 4er1 h LYS 105 N 8.09 0.00 -3.53 0.00 1.57 -1.07 -2.81 116.57 118.83 4er1 h LYS 105 Ca -0.28 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.34 4er1 h LYS 105 Cb 1.11 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 33.20 4er1 h LYS 105 CO 0.96 0.54 -0.54 0.15 -0.57 0.00 0.00 179.45 179.99 4er1 s LYS 106 N -2.87 0.36 0.07 3.15 1.02 -1.09 -1.98 119.74 118.40 4er1 s LYS 106 Ca 0.01 -0.24 0.02 0.00 0.02 0.00 0.00 55.97 55.78 4er1 s LYS 106 Cb 0.08 0.15 -0.03 0.00 -0.52 0.00 0.00 37.83 37.51 4er1 s LYS 106 CO 0.79 -0.08 -0.07 0.14 -0.92 0.00 0.00 175.35 175.21 4er1 s VAL 107 N -0.93 0.61 0.41 3.17 -7.23 -1.26 -2.91 120.40 112.25 4er1 s VAL 107 Ca -0.10 -1.48 -0.06 0.00 -1.81 0.00 0.00 61.98 58.53 4er1 s VAL 107 Cb -0.06 -1.12 0.09 0.00 0.56 0.00 0.00 36.38 35.86 4er1 s VAL 107 CO 0.01 -0.62 0.55 -1.54 -0.31 0.00 0.00 175.10 173.19 4er1 n SER 108 N 0.75 0.18 0.12 4.85 3.41 -1.26 -4.84 113.62 116.82 4er1 n SER 108 Ca -0.18 -1.28 -0.02 0.00 -0.26 0.00 0.00 58.87 57.13 4er1 n SER 108 Cb 0.58 -0.41 0.08 0.00 -0.26 0.00 0.00 64.21 64.19 4er1 n SER 108 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 4er1 h SER 109 N -0.65 0.00 -0.86 4.04 0.02 -1.98 -2.39 113.55 111.73 4er1 h SER 109 Ca -0.18 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.80 4er1 h SER 109 Cb 0.53 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.02 4er1 h SER 109 CO 0.14 0.71 0.56 0.28 -1.14 0.00 0.00 176.83 177.38 4er1 h SER 110 N 0.00 0.93 -0.15 3.07 0.02 -1.98 -1.74 113.55 113.70 4er1 h SER 110 Ca -0.01 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 4er1 h SER 110 Cb 1.33 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.65 4er1 h SER 110 CO 0.09 0.64 -0.01 -0.26 -1.14 0.00 0.00 176.83 176.15 4er1 h PHE 111 N 1.09 0.31 -0.62 3.45 0.04 -1.80 -3.00 116.94 116.41 4er1 h PHE 111 Ca 0.34 -0.06 -0.01 0.00 2.80 0.00 0.00 57.97 61.04 4er1 h PHE 111 Cb -0.01 -0.08 -0.03 0.00 2.20 0.00 0.00 35.95 38.03 4er1 h PHE 111 CO -0.02 0.52 0.33 1.15 -0.60 0.00 0.00 178.31 179.70 4er1 h THR 112 N 0.01 1.19 0.00 -1.55 2.02 -1.29 -2.31 112.91 110.98 4er1 h THR 112 Ca 0.04 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.74 4er1 h THR 112 Cb 0.41 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.17 4er1 h THR 112 CO 0.01 0.21 0.00 -0.62 0.37 0.00 0.00 175.52 175.49 4er1 n GLU 113 N -4.38 0.08 -3.95 6.66 1.02 -0.68 -3.52 120.64 115.88 4er1 n GLU 113 Ca 0.06 0.03 -0.35 0.00 -0.02 0.00 0.00 57.16 56.88 4er1 n GLU 113 Cb 0.10 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 29.88 4er1 n GLU 113 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 4er1 s ASP 114 N -2.91 4.17 0.00 1.62 -1.08 -0.87 -4.94 116.67 112.66 4er1 s ASP 114 Ca 0.16 -0.59 0.27 0.00 -0.52 0.00 0.00 52.55 51.87 4er1 s ASP 114 Cb 0.18 -1.69 0.92 0.00 -1.46 0.00 0.00 42.92 40.87 4er1 s ASP 114 CO 0.48 -0.06 1.67 -1.54 0.52 0.00 0.00 175.17 176.25 4er1 n SER 115 N 4.74 0.59 0.01 -0.34 3.41 -1.26 -3.50 113.62 117.27 4er1 n SER 115 Ca -0.18 -0.48 0.11 0.00 -0.26 0.00 0.00 58.87 58.07 4er1 n SER 115 Cb 0.49 0.02 0.14 0.00 -0.26 0.00 0.00 64.21 64.61 4er1 n SER 115 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 4er1 n THR 116 N -1.05 0.04 -4.45 6.66 -2.24 -1.26 -4.29 114.28 107.69 4er1 n THR 116 Ca 0.11 -0.05 -0.33 0.00 -2.27 0.00 0.00 64.05 61.51 4er1 n THR 116 Cb 0.32 0.37 -0.16 0.00 -2.10 0.00 0.00 70.33 68.76 4er1 n THR 116 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 4er1 s ILE 117 N -3.03 2.11 -2.11 2.28 1.01 -1.23 -4.82 121.20 115.41 4er1 s ILE 117 Ca 0.09 -0.95 0.19 0.00 0.00 0.00 0.00 60.65 59.98 4er1 s ILE 117 Cb 0.17 -1.86 0.30 0.00 0.01 0.00 0.00 42.46 41.07 4er1 s ILE 117 CO 0.75 0.54 1.24 0.47 0.00 0.00 0.00 174.94 177.94 4er1 n ASP 118 N 4.28 2.99 0.00 3.58 8.00 -0.64 -4.92 116.55 129.84 4er1 n ASP 118 Ca -0.20 -1.88 0.00 0.00 0.71 0.00 0.00 54.79 53.42 4er1 n ASP 118 Cb 0.51 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.46 4er1 n ASP 118 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 4er1 n GLY 119 N 1.15 -0.31 2.88 0.44 0.00 -1.25 -1.75 105.19 106.36 4er1 n GLY 119 Ca 0.15 -1.11 -0.12 0.00 0.00 0.00 0.00 46.02 44.93 4er1 n GLY 119 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 4er1 s LEU 120 N 0.00 1.80 -0.21 0.99 1.02 -0.62 -1.74 118.68 119.91 4er1 s LEU 120 Ca 0.00 0.06 0.02 0.00 0.02 0.00 0.00 54.13 54.22 4er1 s LEU 120 Cb 0.00 0.08 0.04 0.00 0.02 0.00 0.00 46.19 46.33 4er1 s LEU 120 CO 0.00 -0.02 -0.15 -0.22 0.02 0.00 0.00 176.35 175.98 4er1 s LEU 121 N 0.14 2.64 0.23 1.79 0.20 -0.42 -1.87 118.68 121.39 4er1 s LEU 121 Ca -0.01 -0.97 -0.22 0.00 0.69 0.00 0.00 54.13 53.62 4er1 s LEU 121 Cb -0.02 -1.45 -0.08 0.00 -0.43 0.00 0.00 46.19 44.21 4er1 s LEU 121 CO -0.00 -0.10 0.76 -0.83 -0.29 0.00 0.00 176.35 175.89 4er1 s GLY 122 N 1.24 2.69 -0.01 7.98 0.00 -0.67 -0.69 107.32 117.87 4er1 s GLY 122 Ca -0.01 0.25 0.03 0.00 0.00 0.00 0.00 44.72 44.99 4er1 s GLY 122 CO -0.09 0.64 1.02 1.04 0.00 0.00 0.00 173.10 175.72 4er1 n LEU 123 N 0.86 0.27 0.00 0.66 4.77 -0.21 -4.45 117.00 118.89 4er1 n LEU 123 Ca -0.02 -1.25 0.00 0.00 -0.03 0.00 0.00 56.01 54.71 4er1 n LEU 123 Cb 0.50 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 4er1 n LEU 123 CO 0.44 0.31 0.00 0.00 -1.33 0.00 0.00 177.39 176.81 4er1 n ALA 124 N -0.09 0.00 -2.41 -1.18 0.00 -0.71 -4.81 120.51 111.31 4er1 n ALA 124 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.22 4er1 n ALA 124 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.18 4er1 n ALA 124 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 4er1 s PHE 125 N 0.15 3.32 -0.83 0.00 0.40 -0.74 -4.85 117.98 115.43 4er1 s PHE 125 Ca 0.00 0.29 0.27 0.00 -0.60 0.00 0.00 56.93 56.89 4er1 s PHE 125 Cb 0.00 -2.19 0.98 0.00 0.51 0.00 0.00 43.02 42.32 4er1 s PHE 125 CO 0.00 -0.22 1.82 0.43 0.70 0.00 0.00 175.22 177.95 4er1 n SER 126 N -2.01 0.45 -0.01 1.36 7.64 -1.26 -1.85 113.62 117.94 4er1 n SER 126 Ca -0.00 0.55 0.23 0.00 1.01 0.00 0.00 58.87 60.65 4er1 n SER 126 Cb 0.57 -0.67 0.72 0.00 -1.01 0.00 0.00 64.21 63.83 4er1 n SER 126 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 4er1 h THR 127 N 0.00 0.48 -0.02 0.44 1.03 -1.92 -1.69 112.91 111.23 4er1 h THR 127 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 4er1 h THR 127 Cb 0.60 0.62 0.00 0.00 -1.07 0.00 0.00 68.15 68.30 4er1 h THR 127 CO 0.00 0.00 -0.06 0.18 -0.01 0.00 0.00 175.52 175.63 4er1 n LEU 128 N -3.97 1.62 -4.77 0.00 4.77 -0.77 -4.95 117.00 108.93 4er1 n LEU 128 Ca 0.11 -0.53 -0.40 0.00 -0.03 0.00 0.00 56.01 55.16 4er1 n LEU 128 Cb 0.74 -0.02 0.01 0.00 -2.33 0.00 0.00 43.42 41.81 4er1 n LEU 128 CO 0.32 0.28 1.08 0.21 -1.33 0.00 0.00 177.39 177.95 4er1 s ASN 129 N -2.11 6.07 0.00 -1.43 2.47 -0.64 -4.62 114.94 114.69 4er1 s ASN 129 Ca 0.34 2.94 0.27 0.00 0.42 0.00 0.00 52.86 56.82 4er1 s ASN 129 Cb 0.20 -2.66 0.90 0.00 -1.45 0.00 0.00 41.25 38.25 4er1 s ASN 129 CO 0.37 -1.04 1.66 0.35 -3.72 0.00 0.00 177.10 174.71 4er1 n THR 130 N 0.06 0.00 -2.20 -5.21 -2.24 -1.26 -4.83 114.28 98.59 4er1 n THR 130 Ca 0.04 -0.23 -0.41 0.00 -2.27 0.00 0.00 64.05 61.18 4er1 n THR 130 Cb 0.41 0.55 -0.03 0.00 -2.10 0.00 0.00 70.33 69.16 4er1 n THR 130 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 4er1 s VAL 131 N -2.15 2.98 0.05 2.28 1.01 -1.26 -4.15 120.40 119.16 4er1 s VAL 131 Ca 0.33 0.93 0.04 0.00 0.00 0.00 0.00 61.98 63.28 4er1 s VAL 131 Cb 0.20 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.97 4er1 s VAL 131 CO 0.39 0.20 -0.11 -0.55 0.00 0.00 0.00 175.10 175.02 4er1 s SER 132 N -0.32 1.32 0.20 3.32 0.15 -0.74 -3.12 113.70 114.51 4er1 s SER 132 Ca 0.50 -0.52 0.25 0.00 0.70 0.00 0.00 55.95 56.88 4er1 s SER 132 Cb -0.38 -0.04 0.47 0.00 -1.71 0.00 0.00 66.02 64.37 4er1 s SER 132 CO 0.47 -0.08 1.49 -0.65 1.20 0.00 0.00 173.24 175.66 4er1 h PRO 133 N 4.65 0.00 -5.22 5.44 0.11 -1.86 -1.76 132.00 133.35 4er1 h PRO 133 Ca -0.38 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 65.08 4er1 h PRO 133 Cb 1.19 0.00 -0.25 0.00 0.11 0.00 0.00 31.00 32.05 4er1 h PRO 133 CO 0.42 0.00 -0.72 0.99 -0.21 0.00 0.00 178.00 178.48 4er1 s THR 134 N -3.17 3.39 0.71 -1.15 2.01 -1.26 -5.11 115.64 111.06 4er1 s THR 134 Ca 0.07 -0.52 -0.13 0.00 0.31 0.00 0.00 61.69 61.41 4er1 s THR 134 Cb 0.12 -2.48 0.02 0.00 0.01 0.00 0.00 72.50 70.17 4er1 s THR 134 CO 0.68 0.49 1.11 -1.10 -0.69 0.00 0.00 174.62 175.11 4er1 s GLN 134 N 0.66 2.52 0.18 4.92 -0.21 -1.18 -4.77 119.66 121.79 4er1 s GLN 134 Ca -0.04 1.36 0.08 0.00 0.02 0.00 0.00 55.36 56.78 4er1 s GLN 134 Cb -0.15 -1.92 -0.04 0.00 1.00 0.00 0.00 33.01 31.90 4er1 s GLN 134 CO 0.02 -1.46 -0.07 -0.65 -2.12 0.00 0.00 175.29 171.02 4er1 s GLN 135 N -4.35 2.16 0.49 2.91 -1.52 -1.26 -5.01 119.66 113.09 4er1 s GLN 135 Ca 0.66 -1.23 -0.12 0.00 -1.95 0.00 0.00 55.36 52.72 4er1 s GLN 135 Cb -0.20 -2.21 -0.06 0.00 -0.22 0.00 0.00 33.01 30.32 4er1 s GLN 135 CO 0.47 0.44 0.90 0.15 -0.25 0.00 0.00 175.29 176.99 4er1 s LYS 136 N -2.89 3.77 1.00 2.91 1.02 -1.26 -4.81 119.74 119.48 4er1 s LYS 136 Ca 0.26 0.66 -0.14 0.00 0.02 0.00 0.00 55.97 56.76 4er1 s LYS 136 Cb -0.09 -2.24 0.19 0.00 -0.52 0.00 0.00 37.83 35.17 4er1 s LYS 136 CO 0.16 -0.24 1.14 0.95 -0.92 0.00 0.00 175.35 176.44 4er1 s THR 137 N -2.66 1.92 0.38 2.17 -4.23 -1.26 -4.70 115.64 107.25 4er1 s THR 137 Ca 0.54 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 61.13 4er1 s THR 137 Cb -0.10 -2.66 0.17 0.00 1.34 0.00 0.00 72.50 71.25 4er1 s THR 137 CO 0.37 0.00 1.92 0.15 -0.54 0.00 0.00 174.62 176.53 4er1 h PHE 138 N -1.84 0.34 -0.12 3.99 3.57 -1.94 -2.03 116.94 118.91 4er1 h PHE 138 Ca -0.50 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 60.96 4er1 h PHE 138 Cb 1.31 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.95 4er1 h PHE 138 CO -0.37 0.40 0.01 0.35 -2.23 0.00 0.00 178.31 176.47 4er1 h PHE 139 N 0.32 0.22 -0.81 0.41 -0.00 -1.91 -2.31 116.94 112.86 4er1 h PHE 139 Ca 0.07 -0.03 0.00 0.00 -0.00 0.00 0.00 57.97 58.01 4er1 h PHE 139 Cb 0.31 -0.06 -0.04 0.00 -0.00 0.00 0.00 35.95 36.16 4er1 h PHE 139 CO 0.01 0.42 0.52 -0.44 -0.00 0.00 0.00 178.31 178.81 4er1 h ASP 140 N -0.04 0.95 0.46 0.41 3.45 -1.82 -2.04 116.42 117.79 4er1 h ASP 140 Ca 0.04 -0.04 -0.07 0.00 0.43 0.00 0.00 57.03 57.38 4er1 h ASP 140 Cb 0.32 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 38.84 4er1 h ASP 140 CO 0.00 0.70 -0.36 0.78 -1.57 0.00 0.00 179.24 178.80 4er1 h ASN 141 N 1.11 0.00 1.07 6.45 -0.26 -1.21 -3.20 115.58 119.54 4er1 h ASN 141 Ca 0.30 0.00 -0.13 0.00 -0.56 0.00 0.00 56.30 55.91 4er1 h ASN 141 Cb -0.10 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.15 4er1 h ASN 141 CO -0.06 0.36 -0.61 0.00 -1.06 0.00 0.00 177.43 176.06 4er1 h ALA 142 N 1.64 0.72 -0.46 -0.83 0.00 -0.97 -3.39 119.26 115.99 4er1 h ALA 142 Ca -0.00 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.36 4er1 h ALA 142 Cb 0.68 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 4er1 h ALA 142 CO 0.05 0.76 0.29 0.87 0.00 0.00 0.00 179.25 181.22 4er1 h LYS 143 N 0.00 0.60 -0.99 0.00 1.57 -1.37 -0.34 116.57 116.05 4er1 h LYS 143 Ca -0.01 -0.04 0.23 0.00 -1.87 0.00 0.00 60.65 58.97 4er1 h LYS 143 Cb 1.30 -0.13 -0.08 0.00 0.08 0.00 0.00 32.23 33.39 4er1 h LYS 143 CO 0.08 0.41 0.64 0.00 -0.57 0.00 0.00 179.45 180.01 4er1 h ALA 144 N 1.70 2.15 0.00 3.86 0.00 -1.81 -2.41 119.26 122.76 4er1 h ALA 144 Ca 0.17 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.12 4er1 h ALA 144 Cb -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.73 4er1 h ALA 144 CO -0.03 -0.51 -1.26 -1.13 0.00 0.00 0.00 179.25 176.32 4er1 n SER 145 N -4.60 0.65 -4.80 0.00 3.41 -0.18 -4.98 113.62 103.13 4er1 n SER 145 Ca 0.23 -0.58 -0.34 0.00 -0.26 0.00 0.00 58.87 57.92 4er1 n SER 145 Cb 0.77 1.21 -0.02 0.00 -0.26 0.00 0.00 64.21 65.91 4er1 n SER 145 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 4er1 s LEU 146 N -3.56 3.76 0.33 1.04 1.43 -0.91 -0.06 118.68 120.71 4er1 s LEU 146 Ca 0.03 1.88 0.01 0.00 -1.03 0.00 0.00 54.13 55.02 4er1 s LEU 146 Cb 0.15 -4.55 0.56 0.00 0.03 0.00 0.00 46.19 42.38 4er1 s LEU 146 CO 0.86 -0.85 1.98 0.44 0.23 0.00 0.00 176.35 179.01 4er1 h ASP 147 N 1.28 0.79 -5.11 2.29 3.45 -1.51 -3.41 116.42 114.21 4er1 h ASP 147 Ca -0.49 -0.03 -0.12 0.00 0.43 0.00 0.00 57.03 56.82 4er1 h ASP 147 Cb 1.22 -0.20 -0.17 0.00 -0.56 0.00 0.00 39.33 39.62 4er1 h ASP 147 CO 0.59 0.59 -0.50 -0.55 -1.57 0.00 0.00 179.24 177.80 4er1 s SER 148 N -6.43 0.19 -1.26 6.45 0.15 -0.95 -4.99 113.70 106.85 4er1 s SER 148 Ca -0.10 -0.58 -0.08 0.00 0.70 0.00 0.00 55.95 55.88 4er1 s SER 148 Cb 0.17 0.25 0.18 0.00 -1.71 0.00 0.00 66.02 64.91 4er1 s SER 148 CO 0.78 -0.56 1.89 -0.81 1.20 0.00 0.00 173.24 175.74 4er1 n PRO 149 N 0.57 3.82 -4.14 5.44 -0.04 -1.26 -4.23 135.00 135.16 4er1 n PRO 149 Ca -0.18 -3.63 -0.09 0.00 -0.04 0.00 0.00 63.50 59.56 4er1 n PRO 149 Cb 0.59 -2.85 -0.10 0.00 -0.04 0.00 0.00 33.50 31.10 4er1 n PRO 149 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 4er1 s VAL 150 N -0.13 0.40 0.07 0.52 -7.23 -1.26 -1.62 120.40 111.14 4er1 s VAL 150 Ca 0.40 -1.88 0.02 0.00 -1.81 0.00 0.00 61.98 58.71 4er1 s VAL 150 Cb 0.10 -1.68 -0.03 0.00 0.56 0.00 0.00 36.38 35.33 4er1 s VAL 150 CO 0.01 -0.86 -0.07 0.72 -0.31 0.00 0.00 175.10 174.59 4er1 s PHE 151 N -3.81 0.76 0.19 2.82 -0.12 -0.93 0.19 117.98 117.09 4er1 s PHE 151 Ca 0.12 -0.71 0.10 0.00 -0.05 0.00 0.00 56.93 56.39 4er1 s PHE 151 Cb 0.07 -0.45 -0.04 0.00 -0.63 0.00 0.00 43.02 41.96 4er1 s PHE 151 CO -0.06 -0.12 -0.20 0.95 -0.05 0.00 0.00 175.22 175.73 4er1 s THR 152 N -2.50 2.10 -0.11 -4.49 -4.23 -0.25 -1.16 115.64 105.00 4er1 s THR 152 Ca 0.01 -2.05 0.02 0.00 -1.18 0.00 0.00 61.69 58.49 4er1 s THR 152 Cb -0.02 -2.02 0.01 0.00 1.34 0.00 0.00 72.50 71.81 4er1 s THR 152 CO -0.02 -0.27 -0.18 0.00 -0.54 0.00 0.00 174.62 173.60 4er1 s ALA 153 N -2.04 1.84 -0.57 3.99 0.00 0.43 -2.00 121.76 123.42 4er1 s ALA 153 Ca 0.20 -0.81 0.04 0.00 0.00 0.00 0.00 51.96 51.39 4er1 s ALA 153 Cb -0.06 -0.82 0.16 0.00 0.00 0.00 0.00 23.12 22.40 4er1 s ALA 153 CO 0.09 0.04 0.40 0.34 0.00 0.00 0.00 175.76 176.63 4er1 s ASP 154 N 0.77 3.52 0.15 0.00 3.68 -0.12 -1.63 116.67 123.03 4er1 s ASP 154 Ca -0.10 -3.40 -0.10 0.00 2.13 0.00 0.00 52.55 51.08 4er1 s ASP 154 Cb -0.16 -1.15 -0.06 0.00 -1.45 0.00 0.00 42.92 40.10 4er1 s ASP 154 CO 0.01 -0.14 0.48 -0.76 0.13 0.00 0.00 175.17 174.89 4er1 s LEU 155 N -0.67 4.27 0.26 -1.34 1.43 -1.26 -1.84 118.68 119.54 4er1 s LEU 155 Ca 0.26 0.86 0.04 0.00 -1.03 0.00 0.00 54.13 54.27 4er1 s LEU 155 Cb -0.05 -3.33 -0.03 0.00 0.03 0.00 0.00 46.19 42.81 4er1 s LEU 155 CO -0.15 0.06 0.40 -0.83 0.23 0.00 0.00 176.35 176.06 4er1 s GLY 156 N -2.05 1.24 -0.46 -3.19 0.00 -1.25 -4.56 107.32 97.05 4er1 s GLY 156 Ca 0.40 -1.17 -0.23 0.00 0.00 0.00 0.00 44.72 43.72 4er1 s GLY 156 CO 0.20 -1.17 0.78 -0.47 0.00 0.00 0.00 173.10 172.45 4er1 s TYR 157 N -2.05 2.98 -1.60 1.90 5.04 -1.26 -4.19 117.35 118.17 4er1 s TYR 157 Ca 0.35 0.10 -0.15 0.00 -2.44 0.00 0.00 57.07 54.93 4er1 s TYR 157 Cb -0.09 -3.68 0.11 0.00 0.35 0.00 0.00 41.96 38.65 4er1 s TYR 157 CO 0.30 -1.02 0.86 0.72 -1.34 0.00 0.00 175.55 175.08 4er1 n HIS 158 N 6.74 -2.01 -3.62 4.97 8.25 -1.26 -4.92 115.22 123.37 4er1 n HIS 158 Ca 0.02 0.85 -0.08 0.00 -0.26 0.00 0.00 57.72 58.25 4er1 n HIS 158 Cb 0.48 -3.50 -0.02 0.00 1.12 0.00 0.00 29.99 28.07 4er1 n HIS 158 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 4er1 s ALA 159 N -3.33 -1.59 0.78 -1.41 0.00 -1.26 -5.08 121.76 109.86 4er1 s ALA 159 Ca 0.65 0.37 -0.10 0.00 0.00 0.00 0.00 51.96 52.88 4er1 s ALA 159 Cb -0.34 0.69 0.07 0.00 0.00 0.00 0.00 23.12 23.54 4er1 s ALA 159 CO 0.88 -0.87 1.13 -1.25 0.00 0.00 0.00 175.76 175.64 4er1 s PRO 162 N -3.50 2.04 0.00 0.00 0.04 -1.26 -3.81 135.00 128.50 4er1 s PRO 162 Ca 0.07 0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.12 4er1 s PRO 162 Cb -0.02 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.50 4er1 s PRO 162 CO -0.04 -1.49 0.00 0.41 0.04 0.00 0.00 177.00 175.92 4er1 n GLY 163 N -3.20 5.31 3.06 0.56 0.00 0.51 -4.15 105.19 107.28 4er1 n GLY 163 Ca 0.08 -1.33 -0.17 0.00 0.00 0.00 0.00 46.02 44.61 4er1 n GLY 163 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 4er1 s THR 164 N -0.20 0.72 -0.17 2.61 2.01 -0.76 -1.25 115.64 118.60 4er1 s THR 164 Ca 0.00 -0.77 -0.07 0.00 0.31 0.00 0.00 61.69 61.16 4er1 s THR 164 Cb 0.00 -0.68 -0.04 0.00 0.01 0.00 0.00 72.50 71.79 4er1 s THR 164 CO 0.00 -0.07 0.05 -0.31 -0.69 0.00 0.00 174.62 173.60 4er1 s TYR 165 N -0.77 3.24 0.06 4.92 2.02 -0.20 -0.95 117.35 125.67 4er1 s TYR 165 Ca -0.02 0.06 0.07 0.00 -0.37 0.00 0.00 57.07 56.81 4er1 s TYR 165 Cb -0.07 -2.05 -0.03 0.00 -0.40 0.00 0.00 41.96 39.41 4er1 s TYR 165 CO 0.00 0.17 -0.17 -0.80 -1.57 0.00 0.00 175.55 173.18 4er1 s ASN 166 N 0.26 3.87 -0.16 2.29 0.02 -0.85 -1.96 114.94 118.41 4er1 s ASN 166 Ca 0.03 -0.45 -0.00 0.00 -1.02 0.00 0.00 52.86 51.42 4er1 s ASN 166 Cb -0.12 -0.62 -0.00 0.00 0.02 0.00 0.00 41.25 40.53 4er1 s ASN 166 CO 0.01 0.23 -0.14 -0.36 0.02 0.00 0.00 177.10 176.85 4er1 s PHE 167 N -1.00 2.80 0.00 2.20 0.40 0.80 -1.10 117.98 122.09 4er1 s PHE 167 Ca 0.16 -1.06 0.00 0.00 -0.60 0.00 0.00 56.93 55.43 4er1 s PHE 167 Cb -0.11 -1.91 0.00 0.00 0.51 0.00 0.00 43.02 41.51 4er1 s PHE 167 CO 0.07 -0.50 0.00 0.41 0.70 0.00 0.00 175.22 175.90 4er1 n GLY 168 N 4.16 0.27 3.41 4.36 0.00 0.13 -1.58 105.19 115.94 4er1 n GLY 168 Ca -0.19 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 4er1 n GLY 168 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 4er1 s PHE 169 N -2.00 -0.27 -0.15 1.61 -0.12 -1.26 -2.24 117.98 113.55 4er1 s PHE 169 Ca 0.00 -0.03 -0.01 0.00 -0.05 0.00 0.00 56.93 56.85 4er1 s PHE 169 Cb 0.00 0.39 -0.01 0.00 -0.63 0.00 0.00 43.02 42.77 4er1 s PHE 169 CO 0.00 -0.82 -0.12 0.42 -0.05 0.00 0.00 175.22 174.65 4er1 s ILE 170 N -3.81 3.05 -0.51 -4.49 1.01 -1.26 -4.76 121.20 110.43 4er1 s ILE 170 Ca 0.04 -0.65 -0.24 0.00 0.00 0.00 0.00 60.65 59.81 4er1 s ILE 170 Cb 0.00 -2.30 0.04 0.00 0.01 0.00 0.00 42.46 40.21 4er1 s ILE 170 CO -0.09 0.51 0.87 -0.62 0.00 0.00 0.00 174.94 175.60 4er1 s ASP 171 N 0.61 6.37 0.38 3.58 3.68 -1.26 -4.88 116.67 125.15 4er1 s ASP 171 Ca -0.07 -0.29 0.27 0.00 2.13 0.00 0.00 52.55 54.60 4er1 s ASP 171 Cb -0.15 -2.41 1.30 0.00 -1.45 0.00 0.00 42.92 40.20 4er1 s ASP 171 CO 0.03 -1.09 1.83 0.71 0.13 0.00 0.00 175.17 176.78 4er1 h THR 172 N 6.00 0.00 -0.00 1.71 1.35 -1.96 -1.39 112.91 118.62 4er1 h THR 172 Ca -0.26 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 4er1 h THR 172 Cb 1.08 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 4er1 h THR 172 CO 1.04 0.00 -0.35 0.35 -0.25 0.00 0.00 175.52 176.30 4er1 n THR 173 N -2.50 0.00 1.48 6.82 -2.24 -1.26 -4.16 114.28 112.42 4er1 n THR 173 Ca 0.00 -0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.92 4er1 n THR 173 Cb 0.16 0.05 0.70 0.00 -2.10 0.00 0.00 70.33 69.14 4er1 n THR 173 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 4er1 n ALA 174 N -1.46 2.65 -2.90 6.98 0.00 -0.52 -4.96 120.51 120.29 4er1 n ALA 174 Ca 0.06 -0.22 -0.10 0.00 0.00 0.00 0.00 53.44 53.19 4er1 n ALA 174 Cb 0.34 -1.41 -0.07 0.00 0.00 0.00 0.00 19.45 18.31 4er1 n ALA 174 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 4er1 s TYR 175 N -2.45 0.59 0.15 0.00 1.13 -1.26 -4.84 117.35 110.67 4er1 s TYR 175 Ca 0.31 -0.91 0.09 0.00 -1.41 0.00 0.00 57.07 55.15 4er1 s TYR 175 Cb 0.20 -0.02 -0.04 0.00 -1.10 0.00 0.00 41.96 41.00 4er1 s TYR 175 CO 0.46 -0.89 -0.20 0.95 -2.51 0.00 0.00 175.55 173.35 4er1 s THR 176 N -4.06 1.89 0.00 -3.49 -4.23 -0.54 -4.96 115.64 100.25 4er1 s THR 176 Ca 0.27 -1.82 0.00 0.00 -1.18 0.00 0.00 61.69 58.97 4er1 s THR 176 Cb 0.02 -1.81 0.00 0.00 1.34 0.00 0.00 72.50 72.05 4er1 s THR 176 CO 0.10 -0.19 0.00 0.61 -0.54 0.00 0.00 174.62 174.60 4er1 n GLY 177 N 0.56 1.81 3.34 3.99 0.00 -1.26 -4.12 105.19 109.50 4er1 n GLY 177 Ca -0.15 -0.62 -0.20 0.00 0.00 0.00 0.00 46.02 45.05 4er1 n GLY 177 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 4er1 s SER 178 N -4.00 2.63 0.14 1.61 1.04 -1.26 -5.04 113.70 108.82 4er1 s SER 178 Ca 0.00 -0.92 -0.30 0.00 0.48 0.00 0.00 55.95 55.20 4er1 s SER 178 Cb 0.00 -0.15 -0.07 0.00 0.10 0.00 0.00 66.02 65.90 4er1 s SER 178 CO 0.00 -0.09 1.24 -0.63 0.98 0.00 0.00 173.24 174.74 4er1 s ILE 179 N -2.42 3.63 -0.15 -1.02 1.01 -1.26 -4.62 121.20 116.37 4er1 s ILE 179 Ca 0.18 1.27 -0.08 0.00 0.00 0.00 0.00 60.65 62.02 4er1 s ILE 179 Cb -0.04 -3.81 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 4er1 s ILE 179 CO 0.07 0.15 0.11 -0.89 0.00 0.00 0.00 174.94 174.38 4er1 s THR 180 N 0.49 5.25 -0.01 2.92 2.01 -0.20 -4.87 115.64 121.23 4er1 s THR 180 Ca 0.57 0.12 -0.00 0.00 0.31 0.00 0.00 61.69 62.69 4er1 s THR 180 Cb -0.33 -3.33 -0.04 0.00 0.01 0.00 0.00 72.50 68.82 4er1 s THR 180 CO 0.33 0.54 0.07 -0.31 -0.69 0.00 0.00 174.62 174.57 4er1 s TYR 181 N -0.35 3.27 0.09 4.92 2.02 -1.26 -1.10 117.35 124.94 4er1 s TYR 181 Ca 0.11 0.20 0.02 0.00 -0.37 0.00 0.00 57.07 57.03 4er1 s TYR 181 Cb -0.12 -1.74 -0.04 0.00 -0.40 0.00 0.00 41.96 39.67 4er1 s TYR 181 CO 0.01 0.55 -0.07 -0.08 -1.57 0.00 0.00 175.55 174.39 4er1 s THR 182 N -1.18 0.72 0.55 -0.71 -1.32 0.14 -4.88 115.64 108.96 4er1 s THR 182 Ca 0.22 -1.79 -0.19 0.00 -1.21 0.00 0.00 61.69 58.73 4er1 s THR 182 Cb -0.12 -1.50 -0.05 0.00 -1.51 0.00 0.00 72.50 69.31 4er1 s THR 182 CO 0.13 -0.76 1.12 0.00 -2.21 0.00 0.00 174.62 172.90 4er1 s ALA 183 N -3.16 2.68 -0.16 11.08 0.00 -1.26 -1.46 121.76 129.48 4er1 s ALA 183 Ca 0.08 0.77 -0.05 0.00 0.00 0.00 0.00 51.96 52.76 4er1 s ALA 183 Cb 0.02 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 4er1 s ALA 183 CO -0.03 -0.80 0.02 0.08 0.00 0.00 0.00 175.76 175.03 4er1 s VAL 184 N -1.86 4.46 -0.03 0.00 1.01 -1.18 -4.62 120.40 118.19 4er1 s VAL 184 Ca 0.72 -0.16 -0.19 0.00 0.00 0.00 0.00 61.98 62.35 4er1 s VAL 184 Cb -0.23 -2.97 -0.05 0.00 0.00 0.00 0.00 36.38 33.13 4er1 s VAL 184 CO 0.28 0.50 0.53 -0.55 0.00 0.00 0.00 175.10 175.86 4er1 s SER 184 N 0.12 6.87 -0.05 3.32 0.15 0.43 -4.85 113.70 119.70 4er1 s SER 184 Ca 0.03 1.04 0.17 0.00 0.70 0.00 0.00 55.95 57.89 4er1 s SER 184 Cb -0.13 -2.32 0.54 0.00 -1.71 0.00 0.00 66.02 62.41 4er1 s SER 184 CO 0.01 0.13 1.46 0.35 1.20 0.00 0.00 173.24 176.39 4er1 n THR 185 N 2.74 1.33 0.28 6.45 -2.24 -1.26 -3.76 114.28 117.82 4er1 n THR 185 Ca -0.08 -1.13 0.14 0.00 -2.27 0.00 0.00 64.05 60.71 4er1 n THR 185 Cb 0.51 0.34 0.80 0.00 -2.10 0.00 0.00 70.33 69.88 4er1 n THR 185 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 4er1 h LYS 186 N 3.27 0.00 -0.19 -0.78 3.64 -1.94 0.25 116.57 120.82 4er1 h LYS 186 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 4er1 h LYS 186 Cb 1.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 4er1 h LYS 186 CO 0.08 0.08 0.00 1.04 -2.27 0.00 0.00 179.45 178.38 4er1 n GLN 187 N -3.59 2.74 -0.75 1.90 6.02 -1.26 -4.98 117.38 117.47 4er1 n GLN 187 Ca -0.02 -2.10 0.00 0.00 -0.01 0.00 0.00 57.00 54.87 4er1 n GLN 187 Cb 0.20 -1.32 0.00 0.00 1.02 0.00 0.00 30.24 30.14 4er1 n GLN 187 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 4er1 n GLY 188 N -0.19 0.64 3.72 1.08 0.00 0.07 -4.97 105.19 105.55 4er1 n GLY 188 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 4er1 n GLY 188 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 4er1 s PHE 189 N -2.07 2.78 -1.26 1.61 0.40 -1.26 -1.79 117.98 116.39 4er1 s PHE 189 Ca 0.00 -0.27 -0.18 0.00 -0.60 0.00 0.00 56.93 55.88 4er1 s PHE 189 Cb 0.00 -1.44 0.01 0.00 0.51 0.00 0.00 43.02 42.10 4er1 s PHE 189 CO 0.00 0.47 1.92 0.91 0.70 0.00 0.00 175.22 179.22 4er1 n TRP 190 N -1.07 3.70 -3.99 0.36 7.02 -1.26 -4.48 117.44 117.71 4er1 n TRP 190 Ca -0.05 -2.49 -0.36 0.00 -1.02 0.00 0.00 57.50 53.58 4er1 n TRP 190 Cb 0.60 -2.51 -0.07 0.00 -2.42 0.00 0.00 31.31 26.91 4er1 n TRP 190 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 4er1 s GLU 191 N 4.49 3.33 0.35 -0.99 2.12 -1.25 -1.27 118.70 125.48 4er1 s GLU 191 Ca 0.55 -0.22 -0.10 0.00 0.36 0.00 0.00 54.97 55.57 4er1 s GLU 191 Cb 0.07 -3.09 0.02 0.00 0.26 0.00 0.00 34.13 31.39 4er1 s GLU 191 CO 0.05 0.75 0.62 1.67 -0.54 0.00 0.00 175.26 177.81 4er1 s TRP 192 N -1.03 0.56 -0.19 5.30 1.48 -0.26 -0.43 118.94 124.38 4er1 s TRP 192 Ca 0.16 -1.00 0.00 0.00 -1.06 0.00 0.00 56.10 54.20 4er1 s TRP 192 Cb -0.12 0.36 0.05 0.00 -1.16 0.00 0.00 33.47 32.59 4er1 s TRP 192 CO 0.05 -1.31 -0.07 0.99 -4.06 0.00 0.00 176.95 172.56 4er1 s THR 193 N -2.86 1.32 0.52 0.66 2.01 -1.26 -1.28 115.64 114.75 4er1 s THR 193 Ca 0.23 -0.84 -0.18 0.00 0.31 0.00 0.00 61.69 61.21 4er1 s THR 193 Cb -0.03 -1.49 -0.07 0.00 0.01 0.00 0.00 72.50 70.92 4er1 s THR 193 CO 0.15 0.10 1.02 -0.55 -0.69 0.00 0.00 174.62 174.65 4er1 s SER 194 N 1.53 6.28 0.00 3.53 0.15 0.12 -4.77 113.70 120.54 4er1 s SER 194 Ca -0.01 1.77 0.25 0.00 0.70 0.00 0.00 55.95 58.66 4er1 s SER 194 Cb -0.16 -2.54 0.67 0.00 -1.71 0.00 0.00 66.02 62.29 4er1 s SER 194 CO -0.08 -0.82 1.53 0.35 1.20 0.00 0.00 173.24 175.42 4er1 n THR 195 N -1.46 0.10 -2.78 6.45 -2.24 -1.09 -1.18 114.28 112.07 4er1 n THR 195 Ca 0.08 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 4er1 n THR 195 Cb 0.53 0.82 0.00 0.00 -2.10 0.00 0.00 70.33 69.58 4er1 n THR 195 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 4er1 n GLY 196 N 1.26 -0.42 3.37 3.38 0.00 -1.09 -2.27 105.19 109.42 4er1 n GLY 196 Ca 0.17 -1.40 -0.10 0.00 0.00 0.00 0.00 46.02 44.68 4er1 n GLY 196 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 4er1 s TYR 197 N -2.81 -0.22 -0.02 1.61 1.13 -0.91 -0.94 117.35 115.20 4er1 s TYR 197 Ca 0.00 -0.09 -0.08 0.00 -1.41 0.00 0.00 57.07 55.49 4er1 s TYR 197 Cb 0.00 0.32 0.01 0.00 -1.10 0.00 0.00 41.96 41.19 4er1 s TYR 197 CO 0.00 -0.77 0.16 0.00 -2.51 0.00 0.00 175.55 172.43 4er1 s ALA 198 N -3.82 -0.39 -0.27 9.51 0.00 -0.50 -0.65 121.76 125.65 4er1 s ALA 198 Ca 0.04 0.06 -0.10 0.00 0.00 0.00 0.00 51.96 51.97 4er1 s ALA 198 Cb 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 4er1 s ALA 198 CO -0.10 -0.18 0.15 0.08 0.00 0.00 0.00 175.76 175.71 4er1 s VAL 199 N -0.99 5.00 0.00 0.00 1.01 -1.26 -0.87 120.40 123.28 4er1 s VAL 199 Ca -0.11 0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.93 4er1 s VAL 199 Cb -0.06 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 32.96 4er1 s VAL 199 CO 0.01 0.28 0.00 0.61 0.00 0.00 0.00 175.10 176.01 4er1 n GLY 200 N 4.97 3.12 1.95 4.51 0.00 0.14 -2.33 105.19 117.56 4er1 n GLY 200 Ca -0.15 -0.17 -0.03 0.00 0.00 0.00 0.00 46.02 45.67 4er1 n GLY 200 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 4er1 n SER 201 N 2.80 4.96 -1.97 1.61 3.41 -1.26 -4.85 113.62 118.31 4er1 n SER 201 Ca 0.00 -3.11 0.00 0.00 -0.26 0.00 0.00 58.87 55.50 4er1 n SER 201 Cb 0.00 -0.73 0.00 0.00 -0.26 0.00 0.00 64.21 63.22 4er1 n SER 201 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 4er1 n GLY 202 N 0.05 0.36 3.79 5.00 0.00 -0.98 -5.06 105.19 108.34 4er1 n GLY 202 Ca 0.37 -1.89 -0.36 0.00 0.00 0.00 0.00 46.02 44.14 4er1 n GLY 202 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 4er1 s THR 203 N 0.02 4.02 -0.04 2.61 -4.23 -1.26 -4.69 115.64 112.06 4er1 s THR 203 Ca 0.00 1.54 -0.30 0.00 -1.18 0.00 0.00 61.69 61.75 4er1 s THR 203 Cb 0.00 -3.79 -0.03 0.00 1.34 0.00 0.00 72.50 70.02 4er1 s THR 203 CO 0.00 0.00 1.11 0.12 -0.54 0.00 0.00 174.62 175.31 4er1 s PHE 203 N -1.73 3.40 -0.17 3.99 2.19 -1.26 -4.49 117.98 119.91 4er1 s PHE 203 Ca 0.56 1.42 -0.04 0.00 0.33 0.00 0.00 56.93 59.20 4er1 s PHE 203 Cb -0.19 -3.30 -0.02 0.00 -1.31 0.00 0.00 43.02 38.20 4er1 s PHE 203 CO 0.24 -0.77 -0.03 0.15 1.83 0.00 0.00 175.22 176.63 4er1 s LYS 204 N 1.79 3.61 -0.20 10.12 -0.14 0.18 -4.95 119.74 130.16 4er1 s LYS 204 Ca 0.53 -0.54 -0.21 0.00 -1.36 0.00 0.00 55.97 54.39 4er1 s LYS 204 Cb -0.23 -2.94 -0.02 0.00 -1.68 0.00 0.00 37.83 32.96 4er1 s LYS 204 CO 0.23 0.15 0.65 0.45 -0.76 0.00 0.00 175.35 176.06 4er1 s SER 204 N 0.61 6.70 -0.28 2.83 0.15 -1.26 -2.13 113.70 120.31 4er1 s SER 204 Ca -0.02 0.85 -0.19 0.00 0.70 0.00 0.00 55.95 57.28 4er1 s SER 204 Cb -0.14 -2.36 0.11 0.00 -1.71 0.00 0.00 66.02 61.92 4er1 s SER 204 CO 0.02 -0.29 0.85 0.28 1.20 0.00 0.00 173.24 175.30 4er1 s THR 205 N 1.99 0.00 -0.06 6.45 -1.32 -0.96 -4.95 115.64 116.79 4er1 s THR 205 Ca 0.29 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.47 4er1 s THR 205 Cb -0.16 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.81 4er1 s THR 205 CO 0.10 0.00 1.08 -0.44 -2.21 0.00 0.00 174.62 173.15 4er1 s SER 206 N 1.10 7.19 -0.26 8.08 0.01 -1.26 -2.66 113.70 125.90 4er1 s SER 206 Ca -0.06 1.68 0.02 0.00 1.31 0.00 0.00 55.95 58.90 4er1 s SER 206 Cb -0.05 -2.56 0.07 0.00 0.21 0.00 0.00 66.02 63.69 4er1 s SER 206 CO -0.13 -0.46 -0.07 -0.63 0.41 0.00 0.00 173.24 172.36 4er1 s ILE 207 N 1.84 1.92 -0.10 1.44 1.01 -0.33 -4.94 121.20 122.04 4er1 s ILE 207 Ca 0.52 -1.56 -0.30 0.00 0.00 0.00 0.00 60.65 59.31 4er1 s ILE 207 Cb -0.22 -2.14 -0.03 0.00 0.01 0.00 0.00 42.46 40.09 4er1 s ILE 207 CO 0.22 -0.14 1.22 -0.62 0.00 0.00 0.00 174.94 175.62 4er1 s ASP 211 N 1.20 7.01 0.32 3.58 -1.08 -1.26 0.14 116.67 126.58 4er1 s ASP 211 Ca -0.05 1.77 -0.13 0.00 -0.52 0.00 0.00 52.55 53.62 4er1 s ASP 211 Cb -0.19 -2.55 0.02 0.00 -1.46 0.00 0.00 42.92 38.74 4er1 s ASP 211 CO -0.06 -0.65 0.63 -0.83 0.52 0.00 0.00 175.17 174.77 4er1 s GLY 212 N 1.66 0.57 0.06 2.66 0.00 -0.40 -3.99 107.32 107.88 4er1 s GLY 212 Ca 0.55 -0.87 0.08 0.00 0.00 0.00 0.00 44.72 44.48 4er1 s GLY 212 CO 0.19 -0.50 -0.20 -0.26 0.00 0.00 0.00 173.10 172.33 4er1 s ILE 213 N -3.21 2.68 -0.51 0.90 -4.36 -0.74 -1.10 121.20 114.86 4er1 s ILE 213 Ca 0.20 -1.30 -0.23 0.00 -0.26 0.00 0.00 60.65 59.06 4er1 s ILE 213 Cb -0.03 -2.14 0.04 0.00 1.25 0.00 0.00 42.46 41.58 4er1 s ILE 213 CO 0.12 0.29 0.82 0.00 0.24 0.00 0.00 174.94 176.42 4er1 s ALA 214 N -0.95 3.25 -0.30 2.27 0.00 -0.40 -0.38 121.76 125.25 4er1 s ALA 214 Ca 0.15 -1.26 0.01 0.00 0.00 0.00 0.00 51.96 50.86 4er1 s ALA 214 Cb -0.10 -3.57 0.09 0.00 0.00 0.00 0.00 23.12 19.54 4er1 s ALA 214 CO 0.06 -2.16 0.04 0.34 0.00 0.00 0.00 175.76 174.04 4er1 s ASP 215 N 2.57 4.23 0.55 0.00 3.68 -0.93 -4.49 116.67 122.29 4er1 s ASP 215 Ca 0.27 -1.69 0.31 0.00 2.13 0.00 0.00 52.55 53.57 4er1 s ASP 215 Cb -0.14 -1.21 1.63 0.00 -1.45 0.00 0.00 42.92 41.75 4er1 s ASP 215 CO 0.19 -0.35 2.12 0.71 0.13 0.00 0.00 175.17 177.97 4er1 h THR 216 N 6.58 0.40 -0.11 1.71 1.35 -1.86 -2.80 112.91 118.18 4er1 h THR 216 Ca -0.11 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 4er1 h THR 216 Cb 1.03 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 4er1 h THR 216 CO 0.47 0.07 0.00 0.61 -0.25 0.00 0.00 175.52 176.43 4er1 n GLY 217 N -0.70 0.11 3.44 5.82 0.00 -1.26 -4.69 105.19 107.90 4er1 n GLY 217 Ca -0.02 -0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.26 4er1 n GLY 217 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 4er1 s THR 218 N -1.87 3.46 0.11 2.61 2.01 -1.06 -5.05 115.64 115.86 4er1 s THR 218 Ca 0.34 -0.52 -0.08 0.00 0.31 0.00 0.00 61.69 61.74 4er1 s THR 218 Cb 0.18 -2.48 -0.19 0.00 0.01 0.00 0.00 72.50 70.02 4er1 s THR 218 CO 0.28 0.51 1.28 0.74 -0.69 0.00 0.00 174.62 176.75 4er1 h THR 219 N 5.22 1.34 -6.45 -0.82 2.02 -1.87 -1.51 112.91 110.84 4er1 h THR 219 Ca -0.29 -2.28 -0.48 0.00 0.77 0.00 0.00 66.41 64.12 4er1 h THR 219 Cb 1.20 2.31 0.02 0.00 -1.74 0.00 0.00 68.15 69.94 4er1 h THR 219 CO 0.59 0.70 -0.09 0.18 0.37 0.00 0.00 175.52 177.26 4er1 n LEU 220 N -3.82 0.00 -4.30 2.58 4.77 -1.26 -1.82 117.00 113.16 4er1 n LEU 220 Ca -0.08 -2.48 -0.38 0.00 -0.03 0.00 0.00 56.01 53.04 4er1 n LEU 220 Cb 0.83 -0.37 -0.12 0.00 -2.33 0.00 0.00 43.42 41.42 4er1 n LEU 220 CO 0.53 -0.69 -0.26 -0.22 -1.33 0.00 0.00 177.39 175.41 4er1 s LEU 221 N 0.00 4.16 -0.17 2.23 2.96 -0.97 -2.69 118.68 124.20 4er1 s LEU 221 Ca 0.56 -0.99 -0.00 0.00 -0.22 0.00 0.00 54.13 53.47 4er1 s LEU 221 Cb -0.04 -1.87 0.00 0.00 0.50 0.00 0.00 46.19 44.77 4er1 s LEU 221 CO 0.36 -0.28 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.65 4er1 s TYR 222 N 1.44 2.82 0.34 5.38 2.02 0.14 -1.85 117.35 127.63 4er1 s TYR 222 Ca -0.00 -1.17 0.03 0.00 -0.37 0.00 0.00 57.07 55.56 4er1 s TYR 222 Cb -0.19 -1.94 -0.04 0.00 -0.40 0.00 0.00 41.96 39.39 4er1 s TYR 222 CO 0.03 -0.57 0.12 -0.51 -1.57 0.00 0.00 175.55 173.04 4er1 s LEU 223 N 1.06 1.90 0.73 -1.29 1.43 -0.31 -0.77 118.68 121.44 4er1 s LEU 223 Ca -0.01 -1.53 -0.13 0.00 -1.03 0.00 0.00 54.13 51.44 4er1 s LEU 223 Cb -0.15 -0.07 0.04 0.00 0.03 0.00 0.00 46.19 46.04 4er1 s LEU 223 CO -0.04 -0.81 1.11 -2.84 0.23 0.00 0.00 176.35 174.00 4er1 s PRO 224 N -3.83 2.42 0.48 1.29 0.02 -1.26 0.62 135.00 134.75 4er1 s PRO 224 Ca 0.32 1.31 0.13 0.00 0.02 0.00 0.00 61.00 62.78 4er1 s PRO 224 Cb 0.05 -1.91 1.14 0.00 0.02 0.00 0.00 34.50 33.80 4er1 s PRO 224 CO 0.15 -1.54 2.12 0.00 -0.33 0.00 0.00 177.00 177.41 4er1 h ALA 225 N -0.63 1.91 0.00 -1.55 0.00 -1.94 -0.20 119.26 116.86 4er1 h ALA 225 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 4er1 h ALA 225 Cb 1.24 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.98 4er1 h ALA 225 CO 0.52 0.08 -0.64 1.79 0.00 0.00 0.00 179.25 181.00 4er1 h THR 226 N 0.18 0.00 0.18 0.00 1.35 -1.99 0.60 112.91 113.22 4er1 h THR 226 Ca 0.05 -0.91 -0.30 0.00 -0.55 0.00 0.00 66.41 64.70 4er1 h THR 226 Cb -0.00 1.57 0.02 0.00 -1.73 0.00 0.00 68.15 68.01 4er1 h THR 226 CO -0.01 0.00 -1.33 0.58 -0.25 0.00 0.00 175.52 174.51 4er1 h VAL 227 N 0.00 1.36 -0.55 6.82 2.07 -1.45 -3.03 116.25 121.47 4er1 h VAL 227 Ca 0.00 -2.76 -0.09 0.00 0.82 0.00 0.00 66.70 64.67 4er1 h VAL 227 Cb 0.95 2.91 -0.02 0.00 -1.52 0.00 0.00 31.29 33.61 4er1 h VAL 227 CO 0.00 0.82 -0.03 0.58 0.02 0.00 0.00 177.57 178.96 4er1 h VAL 228 N 0.15 1.26 -0.05 2.57 2.07 -0.94 -2.42 116.25 118.90 4er1 h VAL 228 Ca -0.19 -1.14 -0.01 0.00 0.82 0.00 0.00 66.70 66.17 4er1 h VAL 228 Cb 2.03 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 32.66 4er1 h VAL 228 CO 0.24 0.41 -0.03 -1.28 0.02 0.00 0.00 177.57 176.93 4er1 h SER 229 N 0.88 0.06 -0.04 0.57 0.87 -0.95 -2.39 113.55 112.56 4er1 h SER 229 Ca 0.16 -0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.58 4er1 h SER 229 Cb 0.56 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 4er1 h SER 229 CO 0.03 0.11 -0.39 0.00 -0.53 0.00 0.00 176.83 176.05 4er1 h ALA 230 N 1.90 0.88 -0.04 6.23 0.00 -1.33 -1.07 119.26 125.82 4er1 h ALA 230 Ca 0.02 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.43 4er1 h ALA 230 Cb 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.79 4er1 h ALA 230 CO 0.00 0.64 -0.25 -0.92 0.00 0.00 0.00 179.25 178.72 4er1 h TYR 231 N 0.46 0.34 0.00 0.00 5.03 -1.17 -3.24 116.97 118.39 4er1 h TYR 231 Ca 0.04 -0.15 0.00 0.00 2.58 0.00 0.00 58.73 61.20 4er1 h TYR 231 Cb 0.88 -0.05 0.00 0.00 1.55 0.00 0.00 36.73 39.11 4er1 h TYR 231 CO 0.03 0.88 0.00 0.91 -1.32 0.00 0.00 178.16 178.67 4er1 n TRP 232 N -4.50 0.29 0.46 -3.82 7.02 -0.92 -1.58 117.44 114.38 4er1 n TRP 232 Ca -0.09 0.08 0.06 0.00 -1.02 0.00 0.00 57.50 56.54 4er1 n TRP 232 Cb 0.47 -0.64 0.28 0.00 -2.42 0.00 0.00 31.31 29.00 4er1 n TRP 232 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 4er1 n ALA 233 N -1.59 1.61 1.17 6.99 0.00 -0.42 -1.90 120.51 126.37 4er1 n ALA 233 Ca 0.06 -0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.59 4er1 n ALA 233 Cb 0.36 -1.21 0.32 0.00 0.00 0.00 0.00 19.45 18.93 4er1 n ALA 233 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 4er1 n GLN 234 N -1.47 2.00 -4.00 0.00 1.13 -0.62 -4.77 117.38 109.67 4er1 n GLN 234 Ca 0.04 -1.47 -0.34 0.00 -1.94 0.00 0.00 57.00 53.29 4er1 n GLN 234 Cb 0.14 -1.47 -0.15 0.00 0.11 0.00 0.00 30.24 28.88 4er1 n GLN 234 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 4er1 s VAL 235 N -1.93 2.70 0.10 5.09 1.01 -0.80 -4.89 120.40 121.67 4er1 s VAL 235 Ca 0.34 -1.01 0.17 0.00 0.00 0.00 0.00 61.98 61.47 4er1 s VAL 235 Cb 0.20 -2.33 0.10 0.00 0.00 0.00 0.00 36.38 34.35 4er1 s VAL 235 CO 0.31 0.27 1.65 0.77 0.00 0.00 0.00 175.10 178.10 4er1 h SER 236 N 7.99 0.00 -0.59 3.32 4.64 -1.86 -1.86 113.55 125.19 4er1 h SER 236 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 4er1 h SER 236 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 4er1 h SER 236 CO 0.58 0.44 0.00 0.61 -0.87 0.00 0.00 176.83 177.59 4er1 n GLY 237 N 0.50 2.79 3.76 -0.77 0.00 -1.26 -4.93 105.19 105.28 4er1 n GLY 237 Ca 0.00 -0.76 -0.40 0.00 0.00 0.00 0.00 46.02 44.86 4er1 n GLY 237 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4er1 s ALA 238 N -1.52 3.38 0.15 4.61 0.00 -0.70 -4.37 121.76 123.30 4er1 s ALA 238 Ca 0.45 0.85 -0.09 0.00 0.00 0.00 0.00 51.96 53.16 4er1 s ALA 238 Cb 0.27 -3.31 -0.01 0.00 0.00 0.00 0.00 23.12 20.08 4er1 s ALA 238 CO 0.24 -0.11 0.27 -1.59 0.00 0.00 0.00 175.76 174.57 4er1 s LYS 238 N -1.48 1.10 -0.19 0.00 -2.85 0.05 -4.99 119.74 111.39 4er1 s LYS 238 Ca 0.45 -1.13 -0.26 0.00 -1.00 0.00 0.00 55.97 54.03 4er1 s LYS 238 Cb -0.30 0.37 -0.01 0.00 -2.06 0.00 0.00 37.83 35.83 4er1 s LYS 238 CO 0.39 -0.40 0.87 0.45 0.10 0.00 0.00 175.35 176.77 4er1 s SER 239 N -2.95 6.97 -0.20 0.03 0.15 -1.26 -0.76 113.70 115.68 4er1 s SER 239 Ca 0.15 1.20 -0.02 0.00 0.70 0.00 0.00 55.95 57.98 4er1 s SER 239 Cb 0.03 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 4er1 s SER 239 CO -0.02 -0.46 -0.10 -0.55 1.20 0.00 0.00 173.24 173.31 4er1 s SER 240 N 1.20 3.91 0.18 5.45 0.15 -0.27 -4.96 113.70 119.36 4er1 s SER 240 Ca 0.39 -0.47 -0.01 0.00 0.70 0.00 0.00 55.95 56.56 4er1 s SER 240 Cb -0.16 -1.65 0.07 0.00 -1.71 0.00 0.00 66.02 62.57 4er1 s SER 240 CO 0.11 -0.00 1.45 -1.28 1.20 0.00 0.00 173.24 174.71 4er1 h SER 241 N 7.97 0.47 -0.48 5.45 0.87 -1.96 -0.66 113.55 125.21 4er1 h SER 241 Ca -0.42 -0.30 0.09 0.00 -1.23 0.00 0.00 61.79 59.93 4er1 h SER 241 Cb 1.16 -0.14 -0.08 0.00 -0.44 0.00 0.00 62.40 62.90 4er1 h SER 241 CO 0.61 1.03 -0.05 0.28 -0.53 0.00 0.00 176.83 178.18 4er1 h SER 242 N 0.27 -0.30 0.00 6.23 0.02 -1.95 -3.11 113.55 114.71 4er1 h SER 242 Ca -0.03 0.13 -0.05 0.00 -0.84 0.00 0.00 61.79 61.00 4er1 h SER 242 Cb 1.28 0.24 -0.01 0.00 0.14 0.00 0.00 62.40 64.06 4er1 h SER 242 CO 0.12 -0.11 -1.91 0.52 -1.14 0.00 0.00 176.83 174.32 4er1 n VAL 243 N -5.28 0.17 0.00 2.27 0.31 -1.15 -4.98 118.33 109.68 4er1 n VAL 243 Ca 0.05 -0.47 0.00 0.00 -0.01 0.00 0.00 64.34 63.90 4er1 n VAL 243 Cb 0.26 -0.02 0.00 0.00 -0.91 0.00 0.00 33.84 33.17 4er1 n VAL 243 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 4er1 n GLY 244 N 1.51 1.29 0.00 2.92 0.00 -0.32 -5.05 105.19 105.54 4er1 n GLY 244 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 4er1 n GLY 244 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4er1 n GLY 245 N -1.17 -1.31 3.72 -0.02 0.00 -0.81 -4.98 105.19 100.64 4er1 n GLY 245 Ca 0.00 -0.94 -0.41 0.00 0.00 0.00 0.00 46.02 44.67 4er1 n GLY 245 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 4er1 s TYR 246 N -2.93 3.60 0.16 1.61 1.51 -1.26 -1.12 117.35 118.92 4er1 s TYR 246 Ca 0.00 1.57 0.06 0.00 -1.01 0.00 0.00 57.07 57.69 4er1 s TYR 246 Cb 0.00 -3.25 -0.04 0.00 -0.11 0.00 0.00 41.96 38.56 4er1 s TYR 246 CO 0.00 -0.54 -0.13 0.14 -1.11 0.00 0.00 175.55 173.91 4er1 s VAL 247 N 0.43 1.43 0.15 0.71 -7.23 0.06 -1.98 120.40 113.98 4er1 s VAL 247 Ca 0.52 -2.05 -0.14 0.00 -1.81 0.00 0.00 61.98 58.50 4er1 s VAL 247 Cb -0.27 -1.86 0.02 0.00 0.56 0.00 0.00 36.38 34.83 4er1 s VAL 247 CO 0.31 -0.62 0.39 0.72 -0.31 0.00 0.00 175.10 175.59 4er1 s PHE 248 N -2.94 -0.01 0.16 2.82 -0.71 -0.35 -0.77 117.98 116.18 4er1 s PHE 248 Ca 0.17 -0.34 -0.30 0.00 -1.04 0.00 0.00 56.93 55.42 4er1 s PHE 248 Cb -0.00 0.20 -0.08 0.00 -1.21 0.00 0.00 43.02 41.93 4er1 s PHE 248 CO 0.04 -0.76 1.29 -1.25 -1.34 0.00 0.00 175.22 173.20 4er1 s PRO 249 N -3.87 4.40 0.54 1.99 0.05 -1.26 -0.31 135.00 136.54 4er1 s PRO 249 Ca 0.08 1.99 0.24 0.00 0.05 0.00 0.00 61.00 63.36 4er1 s PRO 249 Cb 0.02 -3.23 1.40 0.00 0.05 0.00 0.00 34.50 32.74 4er1 s PRO 249 CO -0.06 -0.26 2.03 0.00 0.05 0.00 0.00 177.00 178.76 4er1 n SER 251 N -4.33 0.00 -4.76 0.00 3.41 -1.26 -4.85 113.62 101.82 4er1 n SER 251 Ca 0.07 0.50 -0.38 0.00 -0.26 0.00 0.00 58.87 58.80 4er1 n SER 251 Cb 0.49 -0.50 0.02 0.00 -0.26 0.00 0.00 64.21 63.96 4er1 n SER 251 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 4er1 s ALA 252 N -3.00 2.92 -0.39 7.33 0.00 0.61 -5.00 121.76 124.23 4er1 s ALA 252 Ca 0.10 1.15 -0.26 0.00 0.00 0.00 0.00 51.96 52.96 4er1 s ALA 252 Cb 0.14 -3.48 0.02 0.00 0.00 0.00 0.00 23.12 19.79 4er1 s ALA 252 CO 0.38 -1.02 0.92 0.99 0.00 0.00 0.00 175.76 177.03 4er1 s THR 253 N -1.41 4.56 0.42 0.00 2.01 -1.26 -5.06 115.64 114.91 4er1 s THR 253 Ca 0.67 1.07 -0.18 0.00 0.31 0.00 0.00 61.69 63.56 4er1 s THR 253 Cb -0.35 -4.35 -0.10 0.00 0.01 0.00 0.00 72.50 67.71 4er1 s THR 253 CO 0.42 -0.60 0.90 -0.76 -0.69 0.00 0.00 174.62 173.88 4er1 s LEU 254 N 3.52 3.89 0.70 4.42 1.43 -1.26 -5.05 118.68 126.33 4er1 s LEU 254 Ca 0.38 1.53 -0.10 0.00 -1.03 0.00 0.00 54.13 54.91 4er1 s LEU 254 Cb -0.12 -4.39 0.03 0.00 0.03 0.00 0.00 46.19 41.75 4er1 s LEU 254 CO 0.20 -0.38 1.06 -2.16 0.23 0.00 0.00 176.35 175.31 4er1 s PRO 255 N -3.38 2.62 0.82 1.29 0.04 -1.26 -4.23 135.00 130.90 4er1 s PRO 255 Ca 0.59 0.21 -0.11 0.00 0.04 0.00 0.00 61.00 61.73 4er1 s PRO 255 Cb -0.10 -2.08 0.08 0.00 0.04 0.00 0.00 34.50 32.45 4er1 s PRO 255 CO 0.19 -1.10 1.09 -1.54 0.04 0.00 0.00 177.00 175.69 4er1 s SER 256 N -4.41 4.22 -0.06 6.66 1.04 -1.26 -4.05 113.70 115.83 4er1 s SER 256 Ca 0.58 1.45 0.02 0.00 0.48 0.00 0.00 55.95 58.48 4er1 s SER 256 Cb -0.11 -2.18 0.02 0.00 0.10 0.00 0.00 66.02 63.85 4er1 s SER 256 CO 0.49 -2.16 -0.09 0.12 0.98 0.00 0.00 173.24 172.57 4er1 s PHE 257 N -3.04 1.23 -0.13 5.02 5.36 -0.61 0.29 117.98 126.10 4er1 s PHE 257 Ca 0.61 -0.44 -0.04 0.00 -0.96 0.00 0.00 56.93 56.10 4er1 s PHE 257 Cb -0.16 -0.95 -0.03 0.00 -0.34 0.00 0.00 43.02 41.53 4er1 s PHE 257 CO 0.55 -0.27 0.01 0.99 -1.46 0.00 0.00 175.22 175.05 4er1 s THR 258 N 0.83 4.39 0.13 0.12 2.01 -0.05 -0.58 115.64 122.49 4er1 s THR 258 Ca -0.12 -0.19 0.09 0.00 0.31 0.00 0.00 61.69 61.78 4er1 s THR 258 Cb -0.15 -2.91 -0.04 0.00 0.01 0.00 0.00 72.50 69.41 4er1 s THR 258 CO 0.02 0.54 -0.18 0.72 -0.69 0.00 0.00 174.62 175.02 4er1 s PHE 259 N -0.23 2.52 0.06 4.92 -0.12 -0.07 -1.42 117.98 123.65 4er1 s PHE 259 Ca 0.06 -0.27 -0.14 0.00 -0.05 0.00 0.00 56.93 56.53 4er1 s PHE 259 Cb -0.12 -1.33 -0.06 0.00 -0.63 0.00 0.00 43.02 40.88 4er1 s PHE 259 CO 0.02 0.40 0.46 0.20 -0.05 0.00 0.00 175.22 176.24 4er1 s GLY 260 N -2.21 2.47 -0.29 1.99 0.00 -0.11 -1.08 107.32 108.10 4er1 s GLY 260 Ca 0.18 -0.20 0.01 0.00 0.00 0.00 0.00 44.72 44.71 4er1 s GLY 260 CO 0.10 0.12 0.04 0.14 0.00 0.00 0.00 173.10 173.50 4er1 s VAL 261 N -1.23 1.36 0.00 1.40 1.01 -0.25 -2.68 120.40 120.00 4er1 s VAL 261 Ca 0.29 -1.50 0.00 0.00 0.00 0.00 0.00 61.98 60.77 4er1 s VAL 261 Cb -0.16 -1.89 0.00 0.00 0.00 0.00 0.00 36.38 34.33 4er1 s VAL 261 CO 0.16 -0.46 0.00 0.61 0.00 0.00 0.00 175.10 175.41 4er1 n GLY 262 N 4.67 3.12 0.37 4.51 0.00 -1.26 -0.21 105.19 116.39 4er1 n GLY 262 Ca -0.04 0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.17 4er1 n GLY 262 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 4er1 n SER 263 N 3.80 1.13 -4.99 1.61 3.41 -1.26 -4.75 113.62 112.59 4er1 n SER 263 Ca 0.00 -1.50 -0.19 0.00 -0.26 0.00 0.00 58.87 56.92 4er1 n SER 263 Cb 0.00 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 4er1 n SER 263 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 4er1 s ALA 264 N -1.92 4.20 -0.05 7.33 0.00 0.71 -5.10 121.76 126.92 4er1 s ALA 264 Ca 0.36 -1.43 0.01 0.00 0.00 0.00 0.00 51.96 50.89 4er1 s ALA 264 Cb 0.19 -1.75 0.02 0.00 0.00 0.00 0.00 23.12 21.58 4er1 s ALA 264 CO 0.30 -0.13 -0.04 1.03 0.00 0.00 0.00 175.76 176.91 4er1 s ARG 265 N -4.26 0.83 -0.17 0.00 1.81 -1.26 -1.09 118.95 114.79 4er1 s ARG 265 Ca 0.47 -0.08 -0.08 0.00 -1.72 0.00 0.00 55.73 54.33 4er1 s ARG 265 Cb -0.10 -0.90 -0.04 0.00 -0.45 0.00 0.00 34.95 33.46 4er1 s ARG 265 CO 0.32 -0.13 0.08 0.42 -0.68 0.00 0.00 175.30 175.31 4er1 s ILE 266 N 1.13 4.93 -0.31 1.52 -1.09 -0.24 -4.91 121.20 122.24 4er1 s ILE 266 Ca -0.08 0.01 -0.08 0.00 -2.23 0.00 0.00 60.65 58.27 4er1 s ILE 266 Cb -0.14 -3.21 0.00 0.00 -1.58 0.00 0.00 42.46 37.53 4er1 s ILE 266 CO -0.01 0.48 0.12 -0.69 -1.23 0.00 0.00 174.94 173.61 4er1 s VAL 267 N 0.17 4.28 -0.15 2.92 1.01 -1.26 -0.89 120.40 126.49 4er1 s VAL 267 Ca 0.05 -0.60 -0.29 0.00 0.00 0.00 0.00 61.98 61.14 4er1 s VAL 267 Cb -0.12 -3.22 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 4er1 s VAL 267 CO 0.00 0.04 1.08 -0.63 0.00 0.00 0.00 175.10 175.59 4er1 s ILE 268 N 1.55 4.61 0.53 2.22 1.01 0.25 -4.95 121.20 126.43 4er1 s ILE 268 Ca 0.03 1.92 -0.20 0.00 0.00 0.00 0.00 60.65 62.40 4er1 s ILE 268 Cb -0.17 -4.23 -0.06 0.00 0.01 0.00 0.00 42.46 38.00 4er1 s ILE 268 CO 0.04 -0.08 1.12 -2.84 0.00 0.00 0.00 174.94 173.19 4er1 s PRO 269 N 2.62 3.44 0.42 2.79 0.02 -1.26 -1.57 135.00 141.46 4er1 s PRO 269 Ca 0.49 1.59 0.17 0.00 0.02 0.00 0.00 61.00 63.27 4er1 s PRO 269 Cb -0.18 -2.04 0.94 0.00 0.02 0.00 0.00 34.50 33.23 4er1 s PRO 269 CO 0.14 -0.77 1.91 0.78 -0.33 0.00 0.00 177.00 178.72 4er1 h GLY 270 N 1.31 0.00 2.00 0.52 0.00 -1.74 -1.32 103.07 103.84 4er1 h GLY 270 Ca -0.50 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.82 4er1 h GLY 270 CO 0.57 0.00 -0.03 -0.55 0.00 0.00 0.00 176.54 176.53 4er1 h ASP 271 N 0.00 0.00 1.02 0.19 3.32 -1.89 -0.34 116.42 118.71 4er1 h ASP 271 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 4er1 h ASP 271 Cb 0.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 4er1 h ASP 271 CO 0.04 0.03 0.00 1.88 -1.72 0.00 0.00 179.24 179.47 4er1 h TYR 272 N 0.00 0.00 0.00 4.55 -1.99 -1.59 -3.06 116.97 114.88 4er1 h TYR 272 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 4er1 h TYR 272 Cb 0.08 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.81 4er1 h TYR 272 CO 0.00 0.00 -1.31 -0.89 -0.00 0.00 0.00 178.16 175.96 4er1 n ILE 273 N -2.60 0.26 -2.54 -2.88 5.41 -0.15 -4.51 119.36 112.35 4er1 n ILE 273 Ca 0.02 -0.41 -0.41 0.00 1.00 0.00 0.00 62.75 62.95 4er1 n ILE 273 Cb 0.30 -0.01 -0.03 0.00 -0.71 0.00 0.00 39.64 39.19 4er1 n ILE 273 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 4er1 s ASP 274 N -4.54 6.16 -0.02 4.38 3.68 -1.14 0.63 116.67 125.82 4er1 s ASP 274 Ca -0.01 -0.50 -0.21 0.00 2.13 0.00 0.00 52.55 53.96 4er1 s ASP 274 Cb 0.13 -2.56 -0.13 0.00 -1.45 0.00 0.00 42.92 38.91 4er1 s ASP 274 CO 0.83 -1.83 0.89 0.15 0.13 0.00 0.00 175.17 175.34 4er1 h PHE 275 N 10.15 -0.49 0.00 -5.34 3.57 -1.58 -3.48 116.94 119.77 4er1 h PHE 275 Ca -0.24 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.25 4er1 h PHE 275 Cb 1.05 0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.95 4er1 h PHE 275 CO 1.14 -0.19 0.00 0.41 -2.23 0.00 0.00 178.31 177.43 4er1 n GLY 276 N 0.10 -1.09 3.85 2.40 0.00 -1.23 -4.86 105.19 104.35 4er1 n GLY 276 Ca -0.08 -1.13 -0.31 0.00 0.00 0.00 0.00 46.02 44.49 4er1 n GLY 276 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 4er1 s PRO 277 N -1.74 3.61 0.30 1.61 0.04 -1.26 -0.52 135.00 137.04 4er1 s PRO 277 Ca 0.00 0.88 0.09 0.00 0.04 0.00 0.00 61.00 62.01 4er1 s PRO 277 Cb 0.00 -2.08 0.46 0.00 0.04 0.00 0.00 34.50 32.92 4er1 s PRO 277 CO 0.00 -0.56 1.68 -0.84 0.04 0.00 0.00 177.00 177.33 4er1 h ILE 278 N 0.09 1.35 -3.74 0.56 3.07 -1.53 -3.43 117.51 113.89 4er1 h ILE 278 Ca -0.45 -1.72 -0.14 0.00 1.55 0.00 0.00 64.86 64.10 4er1 h ILE 278 Cb 1.19 1.88 -0.19 0.00 -0.27 0.00 0.00 36.82 39.43 4er1 h ILE 278 CO 0.61 0.50 -0.55 -0.55 -1.05 0.00 0.00 178.15 177.11 4er1 s SER 279 N -6.89 0.14 0.26 2.16 0.15 -1.26 -5.05 113.70 103.21 4er1 s SER 279 Ca -0.03 -0.41 -0.31 0.00 0.70 0.00 0.00 55.95 55.90 4er1 s SER 279 Cb 0.13 0.19 -0.13 0.00 -1.71 0.00 0.00 66.02 64.51 4er1 s SER 279 CO 0.76 -0.42 1.50 0.41 1.20 0.00 0.00 173.24 176.69 4er1 n THR 280 N 1.18 0.95 -0.66 6.45 -1.04 -1.26 -4.98 114.28 114.92 4er1 n THR 280 Ca -0.21 -0.24 0.00 0.00 -2.04 0.00 0.00 64.05 61.56 4er1 n THR 280 Cb 0.57 -1.70 0.00 0.00 -1.82 0.00 0.00 70.33 67.37 4er1 n THR 280 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 4er1 n GLY 281 N 2.21 0.87 0.18 3.41 0.00 -1.26 -5.17 105.19 105.44 4er1 n GLY 281 Ca 0.10 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.62 4er1 n GLY 281 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 4er1 n SER 282 N 0.98 0.00 -4.53 1.61 7.64 -1.26 -5.14 113.62 112.93 4er1 n SER 282 Ca 0.00 0.07 -0.24 0.00 1.01 0.00 0.00 58.87 59.71 4er1 n SER 282 Cb 0.09 -0.22 -0.09 0.00 -1.01 0.00 0.00 64.21 62.98 4er1 n SER 282 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 4er1 s PHE 284 N -2.50 3.63 0.29 0.00 5.36 0.33 -1.21 117.98 123.87 4er1 s PHE 284 Ca 0.31 0.73 -0.10 0.00 -0.96 0.00 0.00 56.93 56.92 4er1 s PHE 284 Cb -0.04 -2.16 -0.07 0.00 -0.34 0.00 0.00 43.02 40.42 4er1 s PHE 284 CO 0.16 0.60 0.62 0.20 -1.46 0.00 0.00 175.22 175.35 4er1 s GLY 285 N -0.76 2.14 0.00 13.12 0.00 -0.84 -1.78 107.32 119.20 4er1 s GLY 285 Ca 0.19 -0.27 0.27 0.00 0.00 0.00 0.00 44.72 44.91 4er1 s GLY 285 CO 0.08 -0.12 1.66 0.61 0.00 0.00 0.00 173.10 175.33 4er1 n GLY 286 N -0.56 -0.34 3.22 0.20 0.00 0.21 -4.73 105.19 103.20 4er1 n GLY 286 Ca 0.01 -0.42 -0.34 0.00 0.00 0.00 0.00 46.02 45.27 4er1 n GLY 286 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 4er1 s ILE 287 N -2.26 2.92 0.33 -0.61 1.01 -1.26 -2.28 121.20 119.04 4er1 s ILE 287 Ca 0.31 -0.84 0.03 0.00 0.00 0.00 0.00 60.65 60.15 4er1 s ILE 287 Cb 0.20 -2.40 -0.05 0.00 0.01 0.00 0.00 42.46 40.22 4er1 s ILE 287 CO 0.43 0.32 0.08 -1.10 0.00 0.00 0.00 174.94 174.67 4er1 s GLN 288 N 1.37 1.66 0.12 2.79 -1.52 -0.77 -4.81 119.66 118.48 4er1 s GLN 288 Ca 0.03 -1.94 -0.25 0.00 -1.95 0.00 0.00 55.36 51.25 4er1 s GLN 288 Cb -0.15 -0.66 -0.07 0.00 -0.22 0.00 0.00 33.01 31.90 4er1 s GLN 288 CO -0.05 -0.28 0.78 0.45 -0.25 0.00 0.00 175.29 175.94 4er1 s SER 289 N -3.47 7.32 -0.11 5.90 0.15 -1.26 -1.16 113.70 121.07 4er1 s SER 289 Ca 0.34 1.57 0.11 0.00 0.70 0.00 0.00 55.95 58.68 4er1 s SER 289 Cb 0.07 -2.49 0.52 0.00 -1.71 0.00 0.00 66.02 62.41 4er1 s SER 289 CO 0.15 0.12 1.35 -1.54 1.20 0.00 0.00 173.24 174.52 4er1 n SER 294 N 2.12 3.71 -0.30 5.45 3.41 0.20 -4.48 113.62 123.73 4er1 n SER 294 Ca -0.04 -2.43 -0.04 0.00 -0.26 0.00 0.00 58.87 56.10 4er1 n SER 294 Cb 0.49 -0.53 0.07 0.00 -0.26 0.00 0.00 64.21 63.98 4er1 n SER 294 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 4er1 h ALA 295 N 3.53 1.05 0.00 7.33 0.00 -1.91 0.31 119.26 129.57 4er1 h ALA 295 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 4er1 h ALA 295 Cb 1.23 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.69 4er1 h ALA 295 CO 0.23 0.54 0.00 0.78 0.00 0.00 0.00 179.25 180.80 4er1 h GLY 296 N 1.14 0.00 0.00 0.00 0.00 -1.99 -3.20 103.07 99.03 4er1 h GLY 296 Ca 0.29 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.53 4er1 h GLY 296 CO -0.05 0.00 -1.73 1.39 0.00 0.00 0.00 176.54 176.15 4er1 n ILE 297 N -2.35 0.34 -1.02 2.60 5.41 0.03 -4.99 119.36 119.38 4er1 n ILE 297 Ca -0.00 -0.41 -0.01 0.00 1.00 0.00 0.00 62.75 63.33 4er1 n ILE 297 Cb 0.10 -0.14 -0.00 0.00 -0.71 0.00 0.00 39.64 38.89 4er1 n ILE 297 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 4er1 n GLY 298 N 1.90 0.47 3.25 7.39 0.00 -0.80 -5.02 105.19 112.36 4er1 n GLY 298 Ca -0.10 -0.19 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 4er1 n GLY 298 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 4er1 s ILE 299 N -1.89 0.06 0.19 -0.61 -5.25 -1.26 -5.09 121.20 107.36 4er1 s ILE 299 Ca 0.00 -0.51 -0.26 0.00 -0.99 0.00 0.00 60.65 58.89 4er1 s ILE 299 Cb 0.00 -0.68 -0.08 0.00 2.95 0.00 0.00 42.46 44.65 4er1 s ILE 299 CO 0.00 -0.28 0.82 0.20 -1.79 0.00 0.00 174.94 173.89 4er1 s ASN 300 N -1.46 7.43 -0.22 4.36 0.02 -1.26 -4.86 114.94 118.95 4er1 s ASN 300 Ca -0.12 1.71 0.02 0.00 -1.02 0.00 0.00 52.86 53.45 4er1 s ASN 300 Cb -0.04 -2.52 0.05 0.00 0.02 0.00 0.00 41.25 38.75 4er1 s ASN 300 CO 0.03 0.18 -0.12 -0.63 0.02 0.00 0.00 177.10 176.58 4er1 s ILE 301 N -1.20 1.91 -1.00 0.60 1.01 0.05 -1.79 121.20 120.78 4er1 s ILE 301 Ca 0.38 -1.28 -0.21 0.00 0.00 0.00 0.00 60.65 59.55 4er1 s ILE 301 Cb -0.23 -1.97 0.09 0.00 0.01 0.00 0.00 42.46 40.35 4er1 s ILE 301 CO 0.27 0.12 1.33 -0.36 0.00 0.00 0.00 174.94 176.30 4er1 s PHE 302 N 1.26 2.80 0.00 3.97 0.08 0.49 -0.68 117.98 125.90 4er1 s PHE 302 Ca -0.04 -1.13 0.00 0.00 0.12 0.00 0.00 56.93 55.88 4er1 s PHE 302 Cb -0.18 -4.52 0.00 0.00 -0.57 0.00 0.00 43.02 37.75 4er1 s PHE 302 CO -0.07 -1.74 0.00 0.41 -0.10 0.00 0.00 175.22 173.72 4er1 n GLY 303 N 6.19 1.26 0.26 4.36 0.00 -1.10 -2.20 105.19 113.97 4er1 n GLY 303 Ca 0.30 -2.01 0.09 0.00 0.00 0.00 0.00 46.02 44.40 4er1 n GLY 303 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 4er1 h ASP 304 N 0.00 0.00 -0.98 1.61 3.32 -1.09 -1.25 116.42 118.03 4er1 h ASP 304 Ca 0.00 0.00 0.06 0.00 0.02 0.00 0.00 57.03 57.11 4er1 h ASP 304 Cb 0.00 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.48 4er1 h ASP 304 CO 0.00 0.05 0.63 0.58 -1.72 0.00 0.00 179.24 178.78 4er1 h VAL 305 N 0.00 1.08 0.03 -1.35 2.07 -1.60 -0.78 116.25 115.71 4er1 h VAL 305 Ca -0.00 -0.39 -0.12 0.00 0.82 0.00 0.00 66.70 67.00 4er1 h VAL 305 Cb 0.10 -0.17 0.01 0.00 -1.52 0.00 0.00 31.29 29.72 4er1 h VAL 305 CO 0.01 0.21 -0.50 0.00 0.02 0.00 0.00 177.57 177.30 4er1 h ALA 306 N 1.44 0.02 -0.47 1.67 0.00 -1.61 -3.37 119.26 116.94 4er1 h ALA 306 Ca 0.42 -0.56 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 4er1 h ALA 306 Cb 0.16 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 4er1 h ALA 306 CO -0.17 0.25 0.11 -0.07 0.00 0.00 0.00 179.25 179.37 4er1 h LEU 307 N -0.35 0.66 0.00 0.00 3.38 -1.07 -2.64 115.31 115.29 4er1 h LEU 307 Ca -0.07 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.79 4er1 h LEU 307 Cb 1.28 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.85 4er1 h LEU 307 CO 0.10 0.66 0.00 2.29 0.09 0.00 0.00 178.44 181.58 4er1 n LYS 308 N -4.29 0.14 -0.00 1.13 2.85 -0.32 -1.49 118.16 116.18 4er1 n LYS 308 Ca 0.03 0.10 0.14 0.00 -1.05 0.00 0.00 58.31 57.54 4er1 n LYS 308 Cb 0.21 -1.50 0.80 0.00 -0.65 0.00 0.00 35.03 33.89 4er1 n LYS 308 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 4er1 n ALA 309 N -1.40 2.66 -2.39 0.58 0.00 -0.99 -4.67 120.51 114.28 4er1 n ALA 309 Ca 0.08 -0.21 -0.16 0.00 0.00 0.00 0.00 53.44 53.14 4er1 n ALA 309 Cb 0.22 -1.42 -0.11 0.00 0.00 0.00 0.00 19.45 18.14 4er1 n ALA 309 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 4er1 s ALA 310 N -1.99 1.51 -0.18 0.00 0.00 -0.56 -4.29 121.76 116.25 4er1 s ALA 310 Ca 0.42 -1.40 -0.19 0.00 0.00 0.00 0.00 51.96 50.79 4er1 s ALA 310 Cb 0.20 -0.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.26 4er1 s ALA 310 CO 0.33 0.02 0.55 0.12 0.00 0.00 0.00 175.76 176.77 4er1 s PHE 311 N -2.68 3.40 -0.12 0.00 5.36 -0.46 -4.50 117.98 118.98 4er1 s PHE 311 Ca 0.13 0.85 0.03 0.00 -0.96 0.00 0.00 56.93 56.98 4er1 s PHE 311 Cb -0.02 -2.70 0.00 0.00 -0.34 0.00 0.00 43.02 39.97 4er1 s PHE 311 CO 0.02 -0.08 -0.22 0.08 -1.46 0.00 0.00 175.22 173.56 4er1 s VAL 312 N 1.54 2.10 -0.22 3.12 1.01 -0.65 -1.72 120.40 125.59 4er1 s VAL 312 Ca 0.26 -0.98 -0.05 0.00 0.00 0.00 0.00 61.98 61.21 4er1 s VAL 312 Cb -0.16 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.38 4er1 s VAL 312 CO 0.10 0.55 0.01 -0.69 0.00 0.00 0.00 175.10 175.07 4er1 s VAL 313 N 0.61 3.88 -0.73 2.92 1.01 0.64 -0.43 120.40 128.31 4er1 s VAL 313 Ca -0.12 -0.33 -0.18 0.00 0.00 0.00 0.00 61.98 61.36 4er1 s VAL 313 Cb -0.17 -2.78 0.14 0.00 0.00 0.00 0.00 36.38 33.58 4er1 s VAL 313 CO 0.03 0.40 0.82 -0.36 0.00 0.00 0.00 175.10 175.99 4er1 s PHE 314 N 1.29 3.21 -0.40 5.22 0.40 -0.30 -0.79 117.98 126.60 4er1 s PHE 314 Ca 0.04 -1.31 -0.26 0.00 -0.60 0.00 0.00 56.93 54.80 4er1 s PHE 314 Cb -0.15 -4.03 0.02 0.00 0.51 0.00 0.00 43.02 39.37 4er1 s PHE 314 CO 0.01 -1.27 0.95 1.21 0.70 0.00 0.00 175.22 176.82 4er1 s ASN 315 N 3.29 6.63 -0.35 1.36 2.47 -0.19 -2.18 114.94 125.96 4er1 s ASN 315 Ca 0.18 0.45 0.07 0.00 0.42 0.00 0.00 52.86 53.98 4er1 s ASN 315 Cb -0.16 -2.47 0.49 0.00 -1.45 0.00 0.00 41.25 37.66 4er1 s ASN 315 CO -0.01 -0.95 1.49 0.61 -3.72 0.00 0.00 177.10 174.52 4er1 n GLY 316 N 4.57 5.39 3.19 1.21 0.00 -0.64 -1.57 105.19 117.33 4er1 n GLY 316 Ca 0.07 -1.71 -0.26 0.00 0.00 0.00 0.00 46.02 44.12 4er1 n GLY 316 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4er1 n ALA 317 N -1.00 -3.11 -0.05 4.61 0.00 -1.25 -4.88 120.51 114.82 4er1 n ALA 317 Ca 0.40 -1.41 -0.03 0.00 0.00 0.00 0.00 53.44 52.40 4er1 n ALA 317 Cb 0.98 -1.37 0.20 0.00 0.00 0.00 0.00 19.45 19.27 4er1 n ALA 317 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 4er1 h THR 318 N -2.90 1.24 -3.60 0.00 2.02 -1.98 -3.11 112.91 104.57 4er1 h THR 318 Ca -0.40 -1.02 -0.70 0.00 0.77 0.00 0.00 66.41 65.06 4er1 h THR 318 Cb 1.13 1.01 -0.25 0.00 -1.74 0.00 0.00 68.15 68.31 4er1 h THR 318 CO 0.27 0.35 -0.53 -0.89 0.37 0.00 0.00 175.52 175.09 4er1 s THR 319 N -4.86 4.50 0.55 3.16 2.01 -1.26 -5.07 115.64 114.67 4er1 s THR 319 Ca -0.08 -0.81 -0.17 0.00 0.31 0.00 0.00 61.69 60.94 4er1 s THR 319 Cb 0.15 -3.48 -0.06 0.00 0.01 0.00 0.00 72.50 69.12 4er1 s THR 319 CO 0.80 -0.18 1.04 -2.16 -0.69 0.00 0.00 174.62 173.43 4er1 s PRO 319 N 1.55 3.53 0.16 4.92 0.05 -1.18 -4.92 135.00 139.11 4er1 s PRO 319 Ca 0.02 1.23 -0.00 0.00 0.05 0.00 0.00 61.00 62.30 4er1 s PRO 319 Cb -0.19 -2.06 -0.04 0.00 0.05 0.00 0.00 34.50 32.26 4er1 s PRO 319 CO 0.06 -0.64 0.05 0.95 0.05 0.00 0.00 177.00 177.47 4er1 s THR 320 N -2.32 0.27 -0.07 1.26 -4.23 -0.61 -3.13 115.64 106.81 4er1 s THR 320 Ca 0.64 -1.95 0.02 0.00 -1.18 0.00 0.00 61.69 59.23 4er1 s THR 320 Cb -0.16 -2.17 -0.03 0.00 1.34 0.00 0.00 72.50 71.49 4er1 s THR 320 CO 0.31 -0.37 -0.11 -0.22 -0.54 0.00 0.00 174.62 173.68 4er1 s LEU 321 N -3.11 2.90 -0.07 4.79 2.96 -0.53 -1.03 118.68 124.58 4er1 s LEU 321 Ca 0.27 -0.14 0.05 0.00 -0.22 0.00 0.00 54.13 54.08 4er1 s LEU 321 Cb 0.07 -1.61 -0.01 0.00 0.50 0.00 0.00 46.19 45.14 4er1 s LEU 321 CO 0.04 0.33 -0.22 -0.83 -1.32 0.00 0.00 176.35 174.35 4er1 s GLY 322 N -0.63 1.35 -0.01 7.98 0.00 0.03 0.23 107.32 116.27 4er1 s GLY 322 Ca 0.09 -1.01 0.05 0.00 0.00 0.00 0.00 44.72 43.86 4er1 s GLY 322 CO 0.01 -0.55 -0.18 -1.36 0.00 0.00 0.00 173.10 171.03 4er1 s PHE 323 N -0.06 1.59 0.06 1.90 0.40 -0.26 -0.26 117.98 121.35 4er1 s PHE 323 Ca -0.06 -0.31 0.05 0.00 -0.60 0.00 0.00 56.93 56.01 4er1 s PHE 323 Cb -0.14 -1.03 -0.03 0.00 0.51 0.00 0.00 43.02 42.33 4er1 s PHE 323 CO 0.05 -0.03 -0.13 0.00 0.70 0.00 0.00 175.22 175.80 4er1 s ALA 324 N -0.40 1.07 0.82 5.36 0.00 -0.70 -1.03 121.76 126.89 4er1 s ALA 324 Ca 0.06 -0.91 -0.13 0.00 0.00 0.00 0.00 51.96 50.98 4er1 s ALA 324 Cb -0.07 -0.09 0.09 0.00 0.00 0.00 0.00 23.12 23.05 4er1 s ALA 324 CO -0.01 0.15 1.20 -1.12 0.00 0.00 0.00 175.76 175.98 4er1 s SER 325 N -1.56 3.45 0.00 0.00 0.01 -1.26 -1.35 113.70 113.00 4er1 s SER 325 Ca -0.02 2.36 0.00 0.00 1.31 0.00 0.00 55.95 59.59 4er1 s SER 325 Cb -0.09 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.55 4er1 s SER 325 CO 0.02 -2.76 0.00 2.29 0.41 0.00 0.00 173.24 173.20