#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k1d n THR 2 N 0.00 1.76 -4.13 2.03 -1.04 -1.26 -4.97 114.28 106.67 1k1d n THR 2 Ca 0.00 -0.50 -0.09 0.00 -2.04 0.00 0.00 64.05 61.42 1k1d n THR 2 Cb 0.00 -0.42 -0.10 0.00 -1.82 0.00 0.00 70.33 67.98 1k1d n THR 2 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1k1d s LYS 3 N -1.34 0.73 -0.12 -2.82 1.02 -1.00 -4.09 119.74 112.12 1k1d s LYS 3 Ca 0.62 -1.29 -0.04 0.00 0.02 0.00 0.00 55.97 55.28 1k1d s LYS 3 Cb -0.73 0.07 0.06 0.00 -0.52 0.00 0.00 37.83 36.72 1k1d s LYS 3 CO 0.58 -0.10 0.15 0.42 -0.92 0.00 0.00 175.35 175.48 1k1d s ILE 4 N -3.84 -0.22 -0.47 2.17 1.01 -1.08 -0.79 121.20 117.98 1k1d s ILE 4 Ca 0.11 0.15 -0.17 0.00 0.00 0.00 0.00 60.65 60.74 1k1d s ILE 4 Cb 0.07 -0.43 0.05 0.00 0.01 0.00 0.00 42.46 42.17 1k1d s ILE 4 CO -0.07 -0.02 0.49 -0.63 0.00 0.00 0.00 174.94 174.71 1k1d s ILE 5 N 2.26 5.07 0.31 2.92 1.01 -0.44 0.97 121.20 133.30 1k1d s ILE 5 Ca 0.04 -0.67 0.08 0.00 0.00 0.00 0.00 60.65 60.10 1k1d s ILE 5 Cb -0.14 -4.16 -0.03 0.00 0.01 0.00 0.00 42.46 38.14 1k1d s ILE 5 CO -0.08 -0.61 0.20 -1.59 0.00 0.00 0.00 174.94 172.86 1k1d s LYS 6 N 2.12 2.62 -2.00 2.79 -2.85 -0.18 -1.38 119.74 120.87 1k1d s LYS 6 Ca 0.10 -1.33 0.00 0.00 -1.00 0.00 0.00 55.97 53.74 1k1d s LYS 6 Cb -0.20 -2.38 0.00 0.00 -2.06 0.00 0.00 37.83 33.19 1k1d s LYS 6 CO 0.10 0.20 0.00 0.09 0.10 0.00 0.00 175.35 175.84 1k1d n ASN 7 N -1.22 -5.29 -4.98 0.03 3.02 -1.26 0.01 115.26 105.57 1k1d n ASN 7 Ca -0.04 0.45 -0.20 0.00 -0.03 0.00 0.00 54.58 54.77 1k1d n ASN 7 Cb 0.60 -4.46 -0.01 0.00 -0.61 0.00 0.00 39.78 35.30 1k1d n ASN 7 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1k1d s GLY 8 N -2.78 1.50 -0.37 7.41 0.00 -1.26 -3.02 107.32 108.81 1k1d s GLY 8 Ca 0.00 -1.36 -0.12 0.00 0.00 0.00 0.00 44.72 43.24 1k1d s GLY 8 CO 0.00 -1.30 0.22 -1.59 0.00 0.00 0.00 173.10 170.43 1k1d s THR 9 N -2.16 4.81 0.09 0.90 2.01 0.00 -3.30 115.64 117.99 1k1d s THR 9 Ca 0.42 -0.66 -0.30 0.00 0.31 0.00 0.00 61.69 61.46 1k1d s THR 9 Cb -0.09 -3.62 -0.06 0.00 0.01 0.00 0.00 72.50 68.74 1k1d s THR 9 CO 0.31 -0.17 1.08 -0.63 -0.69 0.00 0.00 174.62 174.52 1k1d s ILE 10 N 1.61 4.25 -0.29 1.82 1.01 0.36 -0.73 121.20 129.22 1k1d s ILE 10 Ca 0.04 1.75 -0.02 0.00 0.00 0.00 0.00 60.65 62.42 1k1d s ILE 10 Cb -0.19 -4.12 0.09 0.00 0.01 0.00 0.00 42.46 38.26 1k1d s ILE 10 CO 0.08 0.21 0.10 -0.69 0.00 0.00 0.00 174.94 174.64 1k1d s VAL 11 N 0.44 0.46 0.15 2.92 1.01 -1.00 -0.98 120.40 123.40 1k1d s VAL 11 Ca 0.52 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 61.47 1k1d s VAL 11 Cb -0.26 -1.32 0.03 0.00 0.00 0.00 0.00 36.38 34.82 1k1d s VAL 11 CO 0.31 -0.64 0.20 0.35 0.00 0.00 0.00 175.10 175.32 1k1d n THR 12 N 5.03 0.00 0.37 3.92 -2.24 0.38 -4.40 114.28 117.35 1k1d n THR 12 Ca -0.04 -0.38 0.11 0.00 -2.27 0.00 0.00 64.05 61.46 1k1d n THR 12 Cb 0.43 -1.10 0.48 0.00 -2.10 0.00 0.00 70.33 68.04 1k1d n THR 12 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k1d n ALA 13 N -2.92 1.58 0.00 6.98 0.00 -1.26 -3.96 120.51 120.93 1k1d n ALA 13 Ca -0.03 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1k1d n ALA 13 Cb 0.13 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.22 1k1d n ALA 13 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1k1d n THR 14 N -2.17 0.00 -3.48 0.00 -1.04 -1.26 -4.56 114.28 101.77 1k1d n THR 14 Ca 0.02 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.79 1k1d n THR 14 Cb 0.20 -0.91 -0.01 0.00 -1.82 0.00 0.00 70.33 67.78 1k1d n THR 14 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1k1d s ASP 15 N -4.52 6.31 -0.29 8.00 1.01 -1.25 -4.99 116.67 120.93 1k1d s ASP 15 Ca 0.00 0.41 0.01 0.00 0.71 0.00 0.00 52.55 53.67 1k1d s ASP 15 Cb 0.00 -2.01 0.15 0.00 1.01 0.00 0.00 42.92 42.06 1k1d s ASP 15 CO 0.00 -0.24 0.35 -0.89 0.21 0.00 0.00 175.17 174.60 1k1d s THR 16 N -2.23 -0.52 0.23 -1.27 2.01 -1.25 -0.47 115.64 112.14 1k1d s THR 16 Ca 0.39 -0.37 -0.09 0.00 0.31 0.00 0.00 61.69 61.94 1k1d s THR 16 Cb -0.10 -0.97 -0.02 0.00 0.01 0.00 0.00 72.50 71.42 1k1d s THR 16 CO 0.34 -0.36 0.36 -0.72 -0.69 0.00 0.00 174.62 173.55 1k1d s TYR 17 N 2.45 0.65 -0.19 4.92 1.13 -0.15 -4.97 117.35 121.20 1k1d s TYR 17 Ca 0.10 -0.96 -0.05 0.00 -1.41 0.00 0.00 57.07 54.74 1k1d s TYR 17 Cb -0.13 -0.08 -0.03 0.00 -1.10 0.00 0.00 41.96 40.62 1k1d s TYR 17 CO -0.30 -0.87 0.01 -1.21 -2.51 0.00 0.00 175.55 170.66 1k1d s GLU 18 N -4.06 3.71 0.16 -3.49 2.02 -1.26 0.13 118.70 115.92 1k1d s GLU 18 Ca 0.28 -0.48 -0.23 0.00 0.02 0.00 0.00 54.97 54.57 1k1d s GLU 18 Cb 0.02 -3.09 0.08 0.00 0.10 0.00 0.00 34.13 31.24 1k1d s GLU 18 CO 0.10 0.11 1.07 0.00 0.02 0.00 0.00 175.26 176.56 1k1d s ALA 19 N 0.75 -1.70 0.12 5.21 0.00 -1.21 -4.83 121.76 120.10 1k1d s ALA 19 Ca 0.01 -0.29 0.08 0.00 0.00 0.00 0.00 51.96 51.75 1k1d s ALA 19 Cb -0.14 0.78 -0.04 0.00 0.00 0.00 0.00 23.12 23.72 1k1d s ALA 19 CO 0.02 -1.07 -0.10 -1.01 0.00 0.00 0.00 175.76 173.59 1k1d s HIS 20 N -2.16 2.70 -0.16 0.00 3.76 0.68 -3.98 115.29 116.13 1k1d s HIS 20 Ca 0.23 -0.18 -0.02 0.00 -0.15 0.00 0.00 55.06 54.94 1k1d s HIS 20 Cb -0.02 -1.39 -0.02 0.00 1.11 0.00 0.00 32.58 32.26 1k1d s HIS 20 CO 0.05 0.44 -0.09 -0.51 -0.85 0.00 0.00 174.74 173.78 1k1d s LEU 21 N -2.34 2.89 -0.43 0.89 1.43 -0.48 -1.99 118.68 118.65 1k1d s LEU 21 Ca 0.22 -0.29 -0.15 0.00 -1.03 0.00 0.00 54.13 52.87 1k1d s LEU 21 Cb -0.11 -1.69 0.04 0.00 0.03 0.00 0.00 46.19 44.47 1k1d s LEU 21 CO 0.14 0.12 0.33 -0.22 0.23 0.00 0.00 176.35 176.95 1k1d s LEU 22 N 0.63 5.30 0.04 1.79 2.96 0.27 -1.33 118.68 128.34 1k1d s LEU 22 Ca -0.05 -1.07 -0.21 0.00 -0.22 0.00 0.00 54.13 52.58 1k1d s LEU 22 Cb -0.15 -2.16 -0.06 0.00 0.50 0.00 0.00 46.19 44.32 1k1d s LEU 22 CO 0.03 -0.52 0.62 -0.63 -1.32 0.00 0.00 176.35 174.52 1k1d s ILE 23 N 1.66 4.80 0.00 6.68 1.01 0.03 -0.50 121.20 134.87 1k1d s ILE 23 Ca 0.05 1.31 0.00 0.00 0.00 0.00 0.00 60.65 62.01 1k1d s ILE 23 Cb -0.21 -3.96 0.00 0.00 0.01 0.00 0.00 42.46 38.30 1k1d s ILE 23 CO 0.09 0.46 0.00 1.17 0.00 0.00 0.00 174.94 176.66 1k1d n LYS 24 N 2.34 0.00 -0.55 2.79 3.00 0.35 -2.38 118.16 123.70 1k1d n LYS 24 Ca -0.07 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.20 1k1d n LYS 24 Cb 0.51 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.48 1k1d n LYS 24 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1k1d n ASP 25 N 0.00 4.23 0.00 3.14 9.92 -1.26 -4.38 116.55 128.20 1k1d n ASP 25 Ca 0.00 -2.19 0.00 0.00 -0.53 0.00 0.00 54.79 52.07 1k1d n ASP 25 Cb 0.00 -0.99 0.00 0.00 -0.64 0.00 0.00 41.12 39.49 1k1d n ASP 25 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1k1d n GLY 26 N 1.99 0.74 3.55 0.44 0.00 -1.26 -4.99 105.19 105.66 1k1d n GLY 26 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 1k1d n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k1d s LYS 27 N -0.05 1.82 -0.37 1.61 1.02 -1.26 -0.33 119.74 122.18 1k1d s LYS 27 Ca 0.00 -2.01 -0.27 0.00 0.02 0.00 0.00 55.97 53.71 1k1d s LYS 27 Cb 0.00 -1.40 0.02 0.00 -0.52 0.00 0.00 37.83 35.93 1k1d s LYS 27 CO 0.00 -0.06 1.01 0.42 -0.92 0.00 0.00 175.35 175.81 1k1d s ILE 28 N -2.88 4.50 -0.10 2.17 1.01 -0.52 -0.50 121.20 124.88 1k1d s ILE 28 Ca 0.35 1.39 -0.26 0.00 0.00 0.00 0.00 60.65 62.13 1k1d s ILE 28 Cb 0.08 -4.41 -0.28 0.00 0.01 0.00 0.00 42.46 37.86 1k1d s ILE 28 CO 0.17 -0.59 0.82 0.00 0.00 0.00 0.00 174.94 175.33 1k1d h ALA 29 N 8.46 -0.04 -2.31 9.38 0.00 -1.11 -0.26 119.26 133.39 1k1d h ALA 29 Ca -0.22 -0.59 0.02 0.00 0.00 0.00 0.00 54.91 54.12 1k1d h ALA 29 Cb 1.07 0.04 -0.17 0.00 0.00 0.00 0.00 17.79 18.74 1k1d h ALA 29 CO 1.02 0.16 0.33 0.00 0.00 0.00 0.00 179.25 180.76 1k1d s MET 30 N -2.31 1.00 -0.01 0.00 0.23 -1.09 -4.80 119.30 112.32 1k1d s MET 30 Ca -0.17 -0.12 0.07 0.00 -1.03 0.00 0.00 55.69 54.44 1k1d s MET 30 Cb -0.01 0.46 -0.02 0.00 -1.53 0.00 0.00 34.83 33.73 1k1d s MET 30 CO 0.75 -0.39 -0.22 0.42 -2.03 0.00 0.00 175.02 173.55 1k1d s ILE 31 N -2.44 1.74 -1.77 3.16 1.01 -1.26 -0.56 121.20 121.08 1k1d s ILE 31 Ca -0.02 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 59.66 1k1d s ILE 31 Cb -0.01 -1.45 0.00 0.00 0.01 0.00 0.00 42.46 41.01 1k1d s ILE 31 CO -0.03 0.47 0.00 0.61 0.00 0.00 0.00 174.94 175.99 1k1d n GLY 32 N 2.48 -1.55 3.71 6.18 0.00 -0.84 -4.96 105.19 110.21 1k1d n GLY 32 Ca -0.16 -1.05 -0.28 0.00 0.00 0.00 0.00 46.02 44.54 1k1d n GLY 32 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1k1d s GLN 33 N -1.44 2.60 -1.31 1.61 -2.07 -1.26 0.24 119.66 118.03 1k1d s GLN 33 Ca 0.00 -0.95 -0.02 0.00 -1.82 0.00 0.00 55.36 52.58 1k1d s GLN 33 Cb 0.00 -2.50 -0.00 0.00 -1.09 0.00 0.00 33.01 29.41 1k1d s GLN 33 CO 0.00 0.49 0.65 0.09 -1.32 0.00 0.00 175.29 175.20 1k1d n ASN 34 N 0.05 -1.42 -4.81 12.60 3.02 -1.26 -4.94 115.26 118.50 1k1d n ASN 34 Ca -0.10 -0.87 -0.33 0.00 -0.03 0.00 0.00 54.58 53.25 1k1d n ASN 34 Cb 0.54 -3.83 -0.04 0.00 -0.61 0.00 0.00 39.78 35.84 1k1d n ASN 34 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1k1d s LEU 35 N -6.68 3.77 -0.05 3.41 1.43 -1.26 -5.06 118.68 114.24 1k1d s LEU 35 Ca 0.05 1.76 -0.19 0.00 -1.03 0.00 0.00 54.13 54.72 1k1d s LEU 35 Cb -0.01 -4.54 0.04 0.00 0.03 0.00 0.00 46.19 41.70 1k1d s LEU 35 CO 0.83 -0.67 0.42 -1.61 0.23 0.00 0.00 176.35 175.55 1k1d s GLU 36 N -3.52 0.74 -0.30 1.70 2.02 -1.26 -5.11 118.70 112.97 1k1d s GLU 36 Ca 0.63 0.04 -0.14 0.00 0.02 0.00 0.00 54.97 55.52 1k1d s GLU 36 Cb -0.13 0.34 0.18 0.00 0.10 0.00 0.00 34.13 34.62 1k1d s GLU 36 CO 0.23 -0.20 1.09 -2.00 0.02 0.00 0.00 175.26 174.39 1k1d s GLU 37 N -1.06 0.16 -0.04 1.61 2.12 -1.26 -5.13 118.70 115.10 1k1d s GLU 37 Ca -0.11 0.30 -0.39 0.00 0.36 0.00 0.00 54.97 55.13 1k1d s GLU 37 Cb -0.04 0.17 -0.18 0.00 0.26 0.00 0.00 34.13 34.34 1k1d s GLU 37 CO 0.05 -0.16 1.30 1.17 -0.54 0.00 0.00 175.26 177.08 1k1d n LYS 38 N 5.40 0.62 -1.89 4.30 4.81 -1.26 -3.64 118.16 126.51 1k1d n LYS 38 Ca -0.07 0.22 -0.01 0.00 -0.87 0.00 0.00 58.31 57.58 1k1d n LYS 38 Cb 0.54 -1.81 -0.01 0.00 0.02 0.00 0.00 35.03 33.78 1k1d n LYS 38 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1k1d n GLY 39 N 2.44 -3.51 0.00 3.14 0.00 -1.26 -5.04 105.19 100.97 1k1d n GLY 39 Ca 0.21 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1k1d n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k1d n ALA 40 N 0.38 0.00 0.00 4.61 0.00 -1.24 -4.70 120.51 119.56 1k1d n ALA 40 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1k1d n ALA 40 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.55 1k1d n ALA 40 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1k1d n GLU 41 N 0.00 0.00 -0.68 0.00 2.13 -1.26 -2.62 120.64 118.21 1k1d n GLU 41 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1k1d n GLU 41 Cb 0.20 -3.09 0.00 0.00 0.27 0.00 0.00 31.44 28.82 1k1d n GLU 41 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1k1d n VAL 42 N -1.41 -0.23 -3.34 6.31 0.31 -1.26 -4.88 118.33 113.82 1k1d n VAL 42 Ca 0.00 0.02 -0.38 0.00 -0.01 0.00 0.00 64.34 63.97 1k1d n VAL 42 Cb 0.00 -0.50 -0.06 0.00 -0.91 0.00 0.00 33.84 32.37 1k1d n VAL 42 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1k1d s ILE 43 N -0.04 4.89 -0.24 2.52 -1.09 0.27 -4.93 121.20 122.58 1k1d s ILE 43 Ca 0.00 1.08 -0.10 0.00 -2.23 0.00 0.00 60.65 59.40 1k1d s ILE 43 Cb 0.00 -3.84 -0.05 0.00 -1.58 0.00 0.00 42.46 37.00 1k1d s ILE 43 CO 0.00 0.53 0.15 -0.62 -1.23 0.00 0.00 174.94 173.76 1k1d s ASP 44 N -0.85 6.02 -0.12 3.58 2.15 -1.26 -1.01 116.67 125.19 1k1d s ASP 44 Ca 0.27 0.09 0.15 0.00 0.43 0.00 0.00 52.55 53.49 1k1d s ASP 44 Cb -0.18 -2.08 0.34 0.00 -0.30 0.00 0.00 42.92 40.69 1k1d s ASP 44 CO 0.16 0.07 1.23 0.00 -0.17 0.00 0.00 175.17 176.46 1k1d n ALA 45 N 4.26 2.47 -1.38 3.66 0.00 0.10 -4.93 120.51 124.70 1k1d n ALA 45 Ca -0.15 -2.19 -0.43 0.00 0.00 0.00 0.00 53.44 50.67 1k1d n ALA 45 Cb 0.52 -0.45 -0.01 0.00 0.00 0.00 0.00 19.45 19.51 1k1d n ALA 45 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1k1d n LYS 46 N -0.83 0.22 -3.39 0.00 5.02 -1.17 -1.44 118.16 116.57 1k1d n LYS 46 Ca 0.15 0.08 -0.25 0.00 -2.02 0.00 0.00 58.31 56.28 1k1d n LYS 46 Cb 0.66 -1.18 0.02 0.00 -0.02 0.00 0.00 35.03 34.51 1k1d n LYS 46 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1k1d n GLY 47 N 2.05 -0.50 3.13 0.72 0.00 -1.26 -4.97 105.19 104.36 1k1d n GLY 47 Ca 0.13 0.14 -0.09 0.00 0.00 0.00 0.00 46.02 46.19 1k1d n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k1d s TYR 49 N -2.88 3.48 -0.29 0.00 2.02 -0.00 -0.82 117.35 118.86 1k1d s TYR 49 Ca -0.03 0.28 0.01 0.00 -0.37 0.00 0.00 57.07 56.96 1k1d s TYR 49 Cb 0.00 -1.81 0.09 0.00 -0.40 0.00 0.00 41.96 39.84 1k1d s TYR 49 CO -0.06 0.34 0.05 0.08 -1.57 0.00 0.00 175.55 174.39 1k1d s VAL 50 N -1.97 1.35 0.23 0.71 1.01 0.09 -0.96 120.40 120.86 1k1d s VAL 50 Ca 0.38 -1.55 0.03 0.00 0.00 0.00 0.00 61.98 60.84 1k1d s VAL 50 Cb -0.10 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 1k1d s VAL 50 CO 0.30 -0.50 0.38 -0.36 0.00 0.00 0.00 175.10 174.92 1k1d s PHE 51 N 1.40 3.47 0.24 5.22 0.08 -0.46 -2.38 117.98 125.55 1k1d s PHE 51 Ca 0.06 0.12 -0.30 0.00 0.12 0.00 0.00 56.93 56.93 1k1d s PHE 51 Cb -0.18 -1.68 -0.09 0.00 -0.57 0.00 0.00 43.02 40.50 1k1d s PHE 51 CO -0.16 0.40 1.08 -2.14 -0.10 0.00 0.00 175.22 174.30 1k1d s PRO 52 N -3.78 4.65 0.36 0.24 0.02 -1.26 -1.34 135.00 133.89 1k1d s PRO 52 Ca 0.36 1.74 -0.24 0.00 0.02 0.00 0.00 61.00 62.87 1k1d s PRO 52 Cb -0.10 -3.23 -0.14 0.00 0.02 0.00 0.00 34.50 31.05 1k1d s PRO 52 CO 0.30 0.20 0.56 0.41 -0.33 0.00 0.00 177.00 178.14 1k1d n GLY 53 N 1.53 -1.50 3.80 0.52 0.00 0.18 -4.76 105.19 104.96 1k1d n GLY 53 Ca 0.00 0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1k1d n GLY 53 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1k1d s GLY 54 N -0.90 2.02 -0.13 -0.02 0.00 -0.00 -4.63 107.32 103.65 1k1d s GLY 54 Ca 0.62 0.35 0.00 0.00 0.00 0.00 0.00 44.72 45.70 1k1d s GLY 54 CO 0.59 0.68 -0.12 -0.42 0.00 0.00 0.00 173.10 173.82 1k1d s ILE 55 N -2.57 1.38 -0.48 0.90 1.01 -0.38 -0.96 121.20 120.10 1k1d s ILE 55 Ca 0.63 -0.52 -0.13 0.00 0.00 0.00 0.00 60.65 60.63 1k1d s ILE 55 Cb -0.16 -1.31 0.10 0.00 0.01 0.00 0.00 42.46 41.09 1k1d s ILE 55 CO 0.42 0.42 0.38 -0.62 0.00 0.00 0.00 174.94 175.55 1k1d s ASP 56 N 1.48 5.98 0.00 3.58 -1.08 -0.22 -4.69 116.67 121.72 1k1d s ASP 56 Ca 0.03 -1.57 0.31 0.00 -0.52 0.00 0.00 52.55 50.80 1k1d s ASP 56 Cb -0.13 -2.12 1.73 0.00 -1.46 0.00 0.00 42.92 40.94 1k1d s ASP 56 CO -0.09 -0.68 2.14 -0.81 0.52 0.00 0.00 175.17 176.25 1k1d n PRO 57 N 5.11 0.83 -3.82 4.34 -0.04 -1.26 -0.98 135.00 139.17 1k1d n PRO 57 Ca -0.12 -0.04 -0.29 0.00 -0.04 0.00 0.00 63.50 63.01 1k1d n PRO 57 Cb 0.42 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.26 1k1d n PRO 57 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1k1d s HIS 58 N -2.20 2.86 0.02 0.54 2.46 -1.25 -4.64 115.29 113.07 1k1d s HIS 58 Ca 0.41 -2.99 0.06 0.00 0.47 0.00 0.00 55.06 53.01 1k1d s HIS 58 Cb 0.21 -2.37 -0.02 0.00 -0.13 0.00 0.00 32.58 30.27 1k1d s HIS 58 CO 0.40 -0.68 -0.19 0.99 -2.47 0.00 0.00 174.74 172.79 1k1d s THR 59 N -0.59 1.52 -0.38 0.89 2.01 -1.16 -0.84 115.64 117.09 1k1d s THR 59 Ca 0.22 -1.00 0.01 0.00 0.31 0.00 0.00 61.69 61.23 1k1d s THR 59 Cb -0.14 -1.30 0.15 0.00 0.01 0.00 0.00 72.50 71.22 1k1d s THR 59 CO -0.09 0.28 0.24 -1.00 -0.69 0.00 0.00 174.62 173.36 1k1d s HIS 60 N -0.64 0.99 0.00 4.92 3.76 -0.55 -1.50 115.29 122.26 1k1d s HIS 60 Ca 0.07 -1.88 0.00 0.00 -0.15 0.00 0.00 55.06 53.10 1k1d s HIS 60 Cb -0.08 -1.06 0.00 0.00 1.11 0.00 0.00 32.58 32.55 1k1d s HIS 60 CO 0.01 -0.82 0.00 1.28 -0.85 0.00 0.00 174.74 174.36 1k1d n LEU 61 N 3.73 1.72 -0.53 0.89 4.77 -1.26 -4.26 117.00 122.05 1k1d n LEU 61 Ca 0.15 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.14 1k1d n LEU 61 Cb 0.39 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.51 1k1d n LEU 61 CO 0.14 0.00 0.33 0.47 -1.33 0.00 0.00 177.39 177.00 1k1d n ASP 62 N -0.89 1.20 -4.77 -1.43 8.00 -1.26 -4.39 116.55 113.01 1k1d n ASP 62 Ca 0.00 -2.06 -0.39 0.00 0.71 0.00 0.00 54.79 53.05 1k1d n ASP 62 Cb 0.00 -0.45 -0.02 0.00 -0.02 0.00 0.00 41.12 40.64 1k1d n ASP 62 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k1d s MET 63 N -1.25 4.12 -0.33 -1.24 0.23 -1.26 -4.76 119.30 114.82 1k1d s MET 63 Ca 0.04 2.02 -0.11 0.00 -1.03 0.00 0.00 55.69 56.61 1k1d s MET 63 Cb 0.03 -2.82 -0.01 0.00 -1.53 0.00 0.00 34.83 30.51 1k1d s MET 63 CO 0.01 -0.31 0.20 -2.14 -2.03 0.00 0.00 175.02 170.75 1k1d s PRO 64 N -2.11 3.31 -0.74 3.16 0.02 -1.26 -1.62 135.00 135.76 1k1d s PRO 64 Ca 0.54 -0.75 0.04 0.00 0.02 0.00 0.00 61.00 60.85 1k1d s PRO 64 Cb -0.35 -3.69 0.23 0.00 0.02 0.00 0.00 34.50 30.72 1k1d s PRO 64 CO 0.45 -0.47 0.77 -0.11 -0.33 0.00 0.00 177.00 177.31 1k1d n LEU 65 N 5.03 3.94 0.00 -5.54 7.94 -0.95 -4.96 117.00 122.46 1k1d n LEU 65 Ca -0.13 -5.33 0.00 0.00 -1.11 0.00 0.00 56.01 49.44 1k1d n LEU 65 Cb 0.49 -0.81 0.00 0.00 0.53 0.00 0.00 43.42 43.63 1k1d n LEU 65 CO 0.35 1.89 0.00 0.61 -1.11 0.00 0.00 177.39 179.13 1k1d n GLY 66 N 1.33 0.47 0.03 -3.96 0.00 -1.26 -4.56 105.19 97.24 1k1d n GLY 66 Ca 0.26 -1.95 0.16 0.00 0.00 0.00 0.00 46.02 44.49 1k1d n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k1d n GLY 67 N 0.00 -1.02 3.76 -0.02 0.00 -1.26 -4.80 105.19 101.86 1k1d n GLY 67 Ca 0.00 -0.20 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 1k1d n GLY 67 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1k1d s THR 68 N -2.14 2.13 0.09 2.61 -1.32 -1.26 -5.16 115.64 110.58 1k1d s THR 68 Ca 0.43 -1.69 0.04 0.00 -1.21 0.00 0.00 61.69 59.26 1k1d s THR 68 Cb 0.22 -2.82 -0.03 0.00 -1.51 0.00 0.00 72.50 68.36 1k1d s THR 68 CO 0.39 0.00 -0.11 -0.69 -2.21 0.00 0.00 174.62 172.01 1k1d s VAL 69 N -2.64 0.96 0.17 5.08 1.01 -1.26 -2.23 120.40 121.48 1k1d s VAL 69 Ca 0.37 -1.56 -0.33 0.00 0.00 0.00 0.00 61.98 60.47 1k1d s VAL 69 Cb 0.03 -1.28 -0.16 0.00 0.00 0.00 0.00 36.38 34.97 1k1d s VAL 69 CO 0.21 -0.49 1.07 0.41 0.00 0.00 0.00 175.10 176.30 1k1d n THR 70 N 0.72 1.02 -0.22 3.92 -1.04 -0.64 -4.85 114.28 113.18 1k1d n THR 70 Ca -0.17 -0.25 -0.01 0.00 -2.04 0.00 0.00 64.05 61.57 1k1d n THR 70 Cb 0.57 -0.68 0.20 0.00 -1.82 0.00 0.00 70.33 68.60 1k1d n THR 70 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1k1d h LYS 71 N 2.96 1.01 -5.59 -2.82 1.63 -1.25 -3.40 116.57 109.11 1k1d h LYS 71 Ca -0.42 -0.10 -0.59 0.00 -0.85 0.00 0.00 60.65 58.68 1k1d h LYS 71 Cb 1.36 -0.20 -0.10 0.00 -0.60 0.00 0.00 32.23 32.69 1k1d h LYS 71 CO 0.67 0.73 -0.02 -0.51 -3.45 0.00 0.00 179.45 176.88 1k1d s ASP 72 N -6.39 6.61 0.30 4.20 1.01 -1.26 -4.83 116.67 116.30 1k1d s ASP 72 Ca -0.11 0.73 0.02 0.00 0.71 0.00 0.00 52.55 53.90 1k1d s ASP 72 Cb 0.17 -2.31 0.04 0.00 1.01 0.00 0.00 42.92 41.83 1k1d s ASP 72 CO 0.80 -0.18 0.31 -0.90 0.21 0.00 0.00 175.17 175.40 1k1d n ASP 73 N 4.71 0.66 0.32 0.27 5.75 -1.26 -4.19 116.55 122.81 1k1d n ASP 73 Ca -0.04 -1.50 0.21 0.00 -0.01 0.00 0.00 54.79 53.45 1k1d n ASP 73 Cb 0.50 -0.18 1.09 0.00 -1.03 0.00 0.00 41.12 41.51 1k1d n ASP 73 CO 0.00 0.00 0.00 -0.26 -0.11 0.00 0.00 177.20 176.83 1k1d h PHE 74 N -0.12 0.00 0.00 2.11 -1.00 -1.85 -1.06 116.94 115.01 1k1d h PHE 74 Ca -0.10 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.67 1k1d h PHE 74 Cb 0.44 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.00 1k1d h PHE 74 CO 0.00 0.00 -0.12 1.49 -1.61 0.00 0.00 178.31 178.07 1k1d h GLU 75 N 0.00 0.00 -0.19 1.51 4.81 -1.88 -3.04 114.58 115.79 1k1d h GLU 75 Ca -0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1k1d h GLU 75 Cb 0.13 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1k1d h GLU 75 CO 0.00 0.22 0.12 0.66 -0.73 0.00 0.00 179.01 179.28 1k1d h SER 76 N -1.00 0.23 -0.83 1.04 4.64 -1.86 -2.48 113.55 113.28 1k1d h SER 76 Ca -0.01 -0.04 0.09 0.00 -0.47 0.00 0.00 61.79 61.35 1k1d h SER 76 Cb 0.30 -0.06 -0.07 0.00 -0.31 0.00 0.00 62.40 62.26 1k1d h SER 76 CO -0.01 0.20 0.48 1.23 -0.87 0.00 0.00 176.83 177.86 1k1d h GLY 77 N 0.23 1.28 0.97 -0.77 0.00 -1.37 0.11 103.07 103.52 1k1d h GLY 77 Ca 0.07 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 1k1d h GLY 77 CO -0.01 0.15 0.13 -0.84 0.00 0.00 0.00 176.54 175.97 1k1d h THR 78 N 0.82 1.09 -0.28 4.70 2.02 -1.38 -0.66 112.91 119.22 1k1d h THR 78 Ca 0.39 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 67.36 1k1d h THR 78 Cb 0.33 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 1k1d h THR 78 CO -0.23 0.08 0.15 0.40 0.37 0.00 0.00 175.52 176.29 1k1d h ILE 79 N 0.26 1.12 0.13 3.11 2.04 -0.96 0.12 117.51 123.34 1k1d h ILE 79 Ca 0.08 -0.33 0.02 0.00 1.00 0.00 0.00 64.86 65.62 1k1d h ILE 79 Cb 0.02 0.84 -0.05 0.00 -0.74 0.00 0.00 36.82 36.89 1k1d h ILE 79 CO -0.01 0.12 -0.47 0.00 0.00 0.00 0.00 178.15 177.79 1k1d h ALA 80 N 1.03 -0.86 -0.87 1.87 0.00 -0.55 0.05 119.26 119.93 1k1d h ALA 80 Ca 0.10 -0.09 0.13 0.00 0.00 0.00 0.00 54.91 55.04 1k1d h ALA 80 Cb 0.06 0.79 -0.09 0.00 0.00 0.00 0.00 17.79 18.55 1k1d h ALA 80 CO -0.02 -1.05 0.48 0.00 0.00 0.00 0.00 179.25 178.66 1k1d h ALA 81 N -0.34 1.29 -0.57 0.00 0.00 -0.98 0.04 119.26 118.70 1k1d h ALA 81 Ca 0.01 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.05 1k1d h ALA 81 Cb 0.72 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 1k1d h ALA 81 CO -0.26 0.01 0.25 0.00 0.00 0.00 0.00 179.25 179.26 1k1d h ALA 82 N 1.52 0.73 -0.34 0.00 0.00 0.86 0.32 119.26 122.35 1k1d h ALA 82 Ca 0.45 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.32 1k1d h ALA 82 Cb 0.55 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1k1d h ALA 82 CO -0.31 -0.13 -0.16 0.74 0.00 0.00 0.00 179.25 179.39 1k1d h PHE 83 N 0.47 0.69 0.00 0.00 -1.00 0.32 -2.71 116.94 114.71 1k1d h PHE 83 Ca 0.27 -0.13 0.00 0.00 2.81 0.00 0.00 57.97 60.92 1k1d h PHE 83 Cb 0.25 -0.18 0.00 0.00 3.61 0.00 0.00 35.95 39.64 1k1d h PHE 83 CO -0.13 0.75 0.00 0.41 -1.61 0.00 0.00 178.31 177.73 1k1d n GLY 84 N -0.45 -0.72 0.75 -1.45 0.00 -0.14 -4.63 105.19 98.55 1k1d n GLY 84 Ca 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1k1d n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k1d n GLY 85 N 0.18 0.79 3.68 -0.02 0.00 -0.85 -4.32 105.19 104.65 1k1d n GLY 85 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 1k1d n GLY 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k1d s THR 86 N -2.18 5.32 -0.62 2.61 2.01 -0.05 -0.82 115.64 121.91 1k1d s THR 86 Ca 0.00 0.16 0.06 0.00 0.31 0.00 0.00 61.69 62.22 1k1d s THR 86 Cb 0.00 -3.45 0.10 0.00 0.01 0.00 0.00 72.50 69.15 1k1d s THR 86 CO 0.00 0.39 0.88 0.35 -0.69 0.00 0.00 174.62 175.56 1k1d n THR 87 N 3.94 0.44 -3.69 -0.82 -2.24 -0.13 -3.12 114.28 108.67 1k1d n THR 87 Ca -0.16 -0.72 -0.10 0.00 -2.27 0.00 0.00 64.05 60.80 1k1d n THR 87 Cb 0.52 0.85 -0.10 0.00 -2.10 0.00 0.00 70.33 69.49 1k1d n THR 87 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1k1d s THR 88 N -0.72 -0.06 0.15 4.28 2.01 -1.12 -2.96 115.64 117.23 1k1d s THR 88 Ca 0.09 0.08 0.08 0.00 0.31 0.00 0.00 61.69 62.26 1k1d s THR 88 Cb 0.06 -0.67 -0.04 0.00 0.01 0.00 0.00 72.50 71.86 1k1d s THR 88 CO 0.08 0.03 -0.18 0.27 -0.69 0.00 0.00 174.62 174.13 1k1d s ILE 89 N 1.50 1.74 -0.29 1.82 -4.36 -0.80 -1.05 121.20 119.76 1k1d s ILE 89 Ca -0.09 -1.85 0.01 0.00 -0.26 0.00 0.00 60.65 58.45 1k1d s ILE 89 Cb -0.08 -1.77 0.09 0.00 1.25 0.00 0.00 42.46 41.94 1k1d s ILE 89 CO -0.14 -0.31 0.04 -0.63 0.24 0.00 0.00 174.94 174.15 1k1d s ILE 90 N -1.98 1.43 0.29 8.37 1.01 -0.15 -0.87 121.20 129.31 1k1d s ILE 90 Ca 0.14 -1.59 -0.12 0.00 0.00 0.00 0.00 60.65 59.08 1k1d s ILE 90 Cb -0.06 -1.97 -0.08 0.00 0.01 0.00 0.00 42.46 40.36 1k1d s ILE 90 CO 0.06 -0.49 0.66 -0.62 0.00 0.00 0.00 174.94 174.55 1k1d s ASP 91 N 1.36 6.67 -0.62 3.58 -1.08 -0.54 -2.99 116.67 123.05 1k1d s ASP 91 Ca 0.06 1.09 -0.24 0.00 -0.52 0.00 0.00 52.55 52.94 1k1d s ASP 91 Cb -0.18 -2.30 0.05 0.00 -1.46 0.00 0.00 42.92 39.03 1k1d s ASP 91 CO -0.15 -0.17 0.99 -0.36 0.52 0.00 0.00 175.17 176.01 1k1d s PHE 92 N -1.96 2.68 -0.50 -5.34 0.40 -0.56 -1.02 117.98 111.67 1k1d s PHE 92 Ca 0.51 -0.25 -0.28 0.00 -0.60 0.00 0.00 56.93 56.30 1k1d s PHE 92 Cb -0.11 -4.24 0.01 0.00 0.51 0.00 0.00 43.02 39.19 1k1d s PHE 92 CO 0.21 -1.57 1.46 0.00 0.70 0.00 0.00 175.22 176.01 1k1d s LEU 94 N 6.04 3.49 0.07 0.00 1.43 -1.26 -1.54 118.68 126.91 1k1d s LEU 94 Ca 0.58 2.01 0.06 0.00 -1.03 0.00 0.00 54.13 55.75 1k1d s LEU 94 Cb -0.12 -4.56 -0.03 0.00 0.03 0.00 0.00 46.19 41.51 1k1d s LEU 94 CO 0.28 -1.47 -0.16 -0.89 0.23 0.00 0.00 176.35 174.34 1k1d s THR 95 N -2.23 1.25 0.02 5.49 2.01 -1.26 -4.81 115.64 116.12 1k1d s THR 95 Ca 0.68 -1.31 0.06 0.00 0.31 0.00 0.00 61.69 61.42 1k1d s THR 95 Cb -0.21 -1.17 -0.03 0.00 0.01 0.00 0.00 72.50 71.10 1k1d s THR 95 CO 0.37 -0.15 -0.14 0.20 -0.69 0.00 0.00 174.62 174.21 1k1d s ASN 96 N -1.68 4.05 0.58 3.53 0.01 -1.26 -4.85 114.94 115.32 1k1d s ASN 96 Ca 0.00 -0.33 -0.20 0.00 -0.71 0.00 0.00 52.86 51.63 1k1d s ASN 96 Cb -0.10 -0.76 -0.04 0.00 0.41 0.00 0.00 41.25 40.76 1k1d s ASN 96 CO 0.03 0.27 1.24 -0.54 -1.51 0.00 0.00 177.10 176.59 1k1d s LYS 97 N -1.37 3.01 0.00 -0.60 1.02 -1.26 -2.91 119.74 117.63 1k1d s LYS 97 Ca 0.15 1.93 0.00 0.00 0.02 0.00 0.00 55.97 58.08 1k1d s LYS 97 Cb -0.11 -2.02 0.00 0.00 -0.52 0.00 0.00 37.83 35.18 1k1d s LYS 97 CO 0.06 -1.20 0.00 0.41 -0.92 0.00 0.00 175.35 173.69 1k1d n GLY 98 N 0.61 1.73 3.72 -3.33 0.00 -1.26 -4.93 105.19 101.72 1k1d n GLY 98 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1k1d n GLY 98 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1k1d s GLU 99 N 0.00 4.48 0.21 1.61 2.12 -1.14 -5.02 118.70 120.96 1k1d s GLU 99 Ca 0.00 1.04 -0.32 0.00 0.36 0.00 0.00 54.97 56.05 1k1d s GLU 99 Cb 0.00 -3.44 -0.13 0.00 0.26 0.00 0.00 34.13 30.82 1k1d s GLU 99 CO 0.00 0.07 1.48 -0.35 -0.54 0.00 0.00 175.26 175.92 1k1d n PRO 100 N 3.66 2.12 -0.25 4.30 -0.04 -1.26 -4.72 135.00 138.82 1k1d n PRO 100 Ca 0.00 0.76 0.12 0.00 -0.04 0.00 0.00 63.50 64.35 1k1d n PRO 100 Cb 0.51 -2.47 0.40 0.00 -0.04 0.00 0.00 33.50 31.90 1k1d n PRO 100 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1k1d h LEU 101 N 4.89 0.60 -1.08 1.53 3.38 -1.95 -0.92 115.31 121.77 1k1d h LEU 101 Ca -0.45 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1k1d h LEU 101 Cb 1.26 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1k1d h LEU 101 CO 0.81 0.31 0.00 0.11 0.09 0.00 0.00 178.44 179.76 1k1d h LYS 102 N 0.64 0.00 0.71 1.13 1.57 -1.99 -1.95 116.57 116.69 1k1d h LYS 102 Ca 0.43 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.17 1k1d h LYS 102 Cb 0.72 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.04 1k1d h LYS 102 CO -0.18 0.00 -0.34 -0.22 -0.57 0.00 0.00 179.45 178.14 1k1d h LYS 103 N 0.00 -0.92 -0.46 3.15 1.63 -1.53 -2.58 116.57 115.86 1k1d h LYS 103 Ca 0.00 0.06 0.05 0.00 -0.85 0.00 0.00 60.65 59.91 1k1d h LYS 103 Cb 0.35 0.21 -0.05 0.00 -0.60 0.00 0.00 32.23 32.14 1k1d h LYS 103 CO 0.00 -0.61 0.19 0.00 -3.45 0.00 0.00 179.45 175.58 1k1d h ALA 104 N -1.25 0.57 -0.95 5.00 0.00 -1.56 -1.71 119.26 119.36 1k1d h ALA 104 Ca -0.10 0.04 0.14 0.00 0.00 0.00 0.00 54.91 54.99 1k1d h ALA 104 Cb 0.73 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.43 1k1d h ALA 104 CO 0.16 -0.18 0.60 0.82 0.00 0.00 0.00 179.25 180.65 1k1d h ILE 105 N 0.39 0.86 0.00 0.00 2.04 -1.39 0.70 117.51 120.11 1k1d h ILE 105 Ca 0.21 -0.29 -0.22 0.00 1.00 0.00 0.00 64.86 65.57 1k1d h ILE 105 Cb 0.18 -0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.21 1k1d h ILE 105 CO -0.19 0.15 -0.93 -0.33 0.00 0.00 0.00 178.15 176.85 1k1d h GLU 106 N 0.83 0.36 -0.61 2.37 5.08 -0.99 -0.99 114.58 120.63 1k1d h GLU 106 Ca 0.48 -0.39 0.06 0.00 -1.00 0.00 0.00 59.36 58.51 1k1d h GLU 106 Cb 0.64 0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.95 1k1d h GLU 106 CO -0.25 1.07 0.32 1.15 -1.00 0.00 0.00 179.01 180.30 1k1d h THR 107 N 0.20 0.94 -0.21 1.13 2.02 -0.18 -0.12 112.91 116.69 1k1d h THR 107 Ca -0.07 -0.20 -0.04 0.00 0.77 0.00 0.00 66.41 66.86 1k1d h THR 107 Cb 1.56 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 1k1d h THR 107 CO 0.16 0.11 -0.04 -0.50 0.37 0.00 0.00 175.52 175.61 1k1d h TRP 108 N 0.60 0.45 -0.87 3.16 6.55 -0.86 -1.88 115.95 123.10 1k1d h TRP 108 Ca 0.27 -0.09 0.20 0.00 0.95 0.00 0.00 58.89 60.22 1k1d h TRP 108 Cb 0.19 -0.11 -0.06 0.00 -0.86 0.00 0.00 29.16 28.32 1k1d h TRP 108 CO -0.09 0.63 0.58 0.45 -1.05 0.00 0.00 178.44 178.96 1k1d h HIS 109 N 0.13 0.51 -0.17 0.49 3.86 -0.45 0.69 115.15 120.20 1k1d h HIS 109 Ca 0.05 0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.21 1k1d h HIS 109 Cb 0.48 -0.16 -0.00 0.00 1.06 0.00 0.00 27.41 28.80 1k1d h HIS 109 CO 0.05 0.14 -0.15 -0.91 0.86 0.00 0.00 177.93 177.92 1k1d h ASN 110 N 0.39 0.44 -0.98 2.45 2.35 -0.61 0.52 115.58 120.14 1k1d h ASN 110 Ca 0.45 -0.47 0.15 0.00 -0.55 0.00 0.00 56.30 55.88 1k1d h ASN 110 Cb 1.13 -0.12 -0.09 0.00 0.05 0.00 0.00 38.32 39.29 1k1d h ASN 110 CO -0.16 0.81 0.62 0.11 -1.65 0.00 0.00 177.43 177.16 1k1d h LYS 111 N 0.07 0.81 0.14 0.81 1.57 -0.10 -2.89 116.57 116.98 1k1d h LYS 111 Ca 0.03 -0.05 -0.31 0.00 -1.87 0.00 0.00 60.65 58.45 1k1d h LYS 111 Cb 0.68 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 1k1d h LYS 111 CO 0.04 0.54 -1.60 0.00 -0.57 0.00 0.00 179.45 177.86 1k1d h ALA 112 N 1.59 0.21 -0.57 3.86 0.00 -1.16 -3.41 119.26 119.77 1k1d h ALA 112 Ca 0.51 -1.15 -0.52 0.00 0.00 0.00 0.00 54.91 53.75 1k1d h ALA 112 Cb 0.70 0.51 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1k1d h ALA 112 CO -0.29 0.95 0.43 0.09 0.00 0.00 0.00 179.25 180.43 1k1d n ASN 113 N -3.77 0.71 0.00 0.00 3.02 0.18 -0.94 115.26 114.46 1k1d n ASN 113 Ca -0.26 0.70 0.00 0.00 -0.03 0.00 0.00 54.58 54.99 1k1d n ASN 113 Cb 0.97 -0.53 0.00 0.00 -0.61 0.00 0.00 39.78 39.61 1k1d n ASN 113 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k1d n GLY 114 N 2.49 0.04 0.00 7.41 0.00 -1.26 -4.74 105.19 109.13 1k1d n GLY 114 Ca 0.19 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.24 1k1d n GLY 114 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1k1d n LYS 115 N 0.09 2.15 -2.40 1.61 5.02 -0.11 -2.15 118.16 122.36 1k1d n LYS 115 Ca 0.00 -0.03 -0.41 0.00 -2.02 0.00 0.00 58.31 55.84 1k1d n LYS 115 Cb 0.36 -0.99 -0.03 0.00 -0.02 0.00 0.00 35.03 34.34 1k1d n LYS 115 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1k1d s ALA 116 N -2.06 3.42 -0.11 7.82 0.00 -1.16 -4.00 121.76 125.67 1k1d s ALA 116 Ca -0.00 0.91 0.16 0.00 0.00 0.00 0.00 51.96 53.03 1k1d s ALA 116 Cb 0.04 -3.42 -0.16 0.00 0.00 0.00 0.00 23.12 19.58 1k1d s ALA 116 CO 0.24 -0.38 0.75 0.28 0.00 0.00 0.00 175.76 176.65 1k1d n VAL 117 N 2.92 1.22 -4.53 0.00 0.31 -1.26 0.32 118.33 117.32 1k1d n VAL 117 Ca 0.06 -0.71 -0.25 0.00 -0.01 0.00 0.00 64.34 63.43 1k1d n VAL 117 Cb 0.45 -0.75 -0.09 0.00 -0.91 0.00 0.00 33.84 32.54 1k1d n VAL 117 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1k1d s ILE 118 N -2.87 1.00 0.69 2.52 -4.36 -1.26 -3.53 121.20 113.38 1k1d s ILE 118 Ca -0.04 -2.00 -0.12 0.00 -0.26 0.00 0.00 60.65 58.24 1k1d s ILE 118 Cb 0.09 -2.55 0.01 0.00 1.25 0.00 0.00 42.46 41.26 1k1d s ILE 118 CO 0.82 0.00 1.06 -1.81 0.24 0.00 0.00 174.94 175.25 1k1d s ASP 119 N -3.60 5.36 0.23 4.36 1.01 -1.16 -4.01 116.67 118.86 1k1d s ASP 119 Ca 0.27 1.67 -0.17 0.00 0.71 0.00 0.00 52.55 55.03 1k1d s ASP 119 Cb 0.05 -2.50 0.02 0.00 1.01 0.00 0.00 42.92 41.50 1k1d s ASP 119 CO 0.14 -1.46 0.56 -0.72 0.21 0.00 0.00 175.17 173.90 1k1d s TYR 120 N -2.94 -0.02 0.28 4.23 1.13 -0.93 -1.89 117.35 117.21 1k1d s TYR 120 Ca 0.59 -0.36 -0.00 0.00 -1.41 0.00 0.00 57.07 55.89 1k1d s TYR 120 Cb -0.15 0.42 0.00 0.00 -1.10 0.00 0.00 41.96 41.14 1k1d s TYR 120 CO 0.52 -1.02 0.37 0.41 -2.51 0.00 0.00 175.55 173.33 1k1d n GLY 121 N -0.38 2.42 3.25 5.49 0.00 -0.05 0.64 105.19 116.56 1k1d n GLY 121 Ca -0.06 -1.61 -0.14 0.00 0.00 0.00 0.00 46.02 44.21 1k1d n GLY 121 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1k1d s PHE 122 N -3.29 1.27 0.00 1.61 0.08 -1.26 -1.47 117.98 114.92 1k1d s PHE 122 Ca 0.25 -0.79 0.06 0.00 0.12 0.00 0.00 56.93 56.57 1k1d s PHE 122 Cb -0.00 -0.66 -0.03 0.00 -0.57 0.00 0.00 43.02 41.76 1k1d s PHE 122 CO 0.18 0.05 -0.17 -1.01 -0.10 0.00 0.00 175.22 174.17 1k1d s HIS 123 N -3.36 2.59 -0.24 0.36 3.76 -0.19 -4.68 115.29 113.54 1k1d s HIS 123 Ca 0.18 -0.24 -0.09 0.00 -0.15 0.00 0.00 55.06 54.76 1k1d s HIS 123 Cb 0.03 -1.53 -0.04 0.00 1.11 0.00 0.00 32.58 32.15 1k1d s HIS 123 CO 0.01 0.20 0.12 -1.17 -0.85 0.00 0.00 174.74 173.05 1k1d s LEU 124 N -1.09 3.86 0.40 0.89 2.96 -0.89 -0.34 118.68 124.47 1k1d s LEU 124 Ca 0.13 0.00 -0.24 0.00 -0.22 0.00 0.00 54.13 53.80 1k1d s LEU 124 Cb -0.10 -2.03 -0.09 0.00 0.50 0.00 0.00 46.19 44.46 1k1d s LEU 124 CO 0.03 0.04 1.03 -0.32 -1.32 0.00 0.00 176.35 175.81 1k1d s MET 125 N 1.17 4.20 -0.08 1.98 -2.45 -0.59 -4.41 119.30 119.12 1k1d s MET 125 Ca 0.06 1.46 -0.01 0.00 -1.25 0.00 0.00 55.69 55.95 1k1d s MET 125 Cb -0.14 -2.52 0.03 0.00 1.25 0.00 0.00 34.83 33.44 1k1d s MET 125 CO 0.05 -0.10 -0.04 0.42 1.05 0.00 0.00 175.02 176.40 1k1d s ILE 126 N -1.71 0.64 -0.43 10.11 1.01 -1.26 -4.47 121.20 125.10 1k1d s ILE 126 Ca 0.58 -0.07 0.06 0.00 0.00 0.00 0.00 60.65 61.21 1k1d s ILE 126 Cb -0.20 -0.72 -0.02 0.00 0.01 0.00 0.00 42.46 41.52 1k1d s ILE 126 CO 0.26 0.29 0.39 -1.54 0.00 0.00 0.00 174.94 174.34 1k1d n SER 127 N 4.85 0.69 -3.58 3.58 3.41 -1.26 -4.58 113.62 116.73 1k1d n SER 127 Ca -0.12 -0.85 -0.11 0.00 -0.26 0.00 0.00 58.87 57.54 1k1d n SER 127 Cb 0.50 0.65 -0.05 0.00 -0.26 0.00 0.00 64.21 65.05 1k1d n SER 127 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1k1d s GLU 128 N -1.15 0.60 -0.42 4.33 -1.05 -1.26 -4.78 118.70 114.96 1k1d s GLU 128 Ca 0.04 0.19 -0.05 0.00 -0.15 0.00 0.00 54.97 54.99 1k1d s GLU 128 Cb 0.04 0.28 0.11 0.00 -0.44 0.00 0.00 34.13 34.12 1k1d s GLU 128 CO 0.17 -0.18 0.24 0.96 0.95 0.00 0.00 175.26 177.40 1k1d s ILE 129 N -0.99 3.61 0.29 1.83 -4.36 -1.26 -4.95 121.20 115.37 1k1d s ILE 129 Ca -0.02 -1.89 0.07 0.00 -0.26 0.00 0.00 60.65 58.56 1k1d s ILE 129 Cb -0.01 -3.40 -0.03 0.00 1.25 0.00 0.00 42.46 40.27 1k1d s ILE 129 CO 0.01 -0.67 0.25 -0.89 0.24 0.00 0.00 174.94 173.88 1k1d s THR 130 N 1.23 4.02 0.37 8.37 2.01 -1.26 -4.96 115.64 125.42 1k1d s THR 130 Ca 0.06 -1.38 0.04 0.00 0.31 0.00 0.00 61.69 60.73 1k1d s THR 130 Cb -0.24 -3.30 0.26 0.00 0.01 0.00 0.00 72.50 69.23 1k1d s THR 130 CO -0.03 -0.26 2.03 0.44 -0.69 0.00 0.00 174.62 176.11 1k1d h ASP 131 N 1.36 0.62 -0.63 3.53 3.32 -1.98 0.25 116.42 122.88 1k1d h ASP 131 Ca -0.47 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 56.49 1k1d h ASP 131 Cb 1.25 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.62 1k1d h ASP 131 CO 0.59 0.45 0.10 0.44 -1.72 0.00 0.00 179.24 179.11 1k1d h ASP 132 N 0.73 1.02 -0.06 6.45 3.32 -2.00 -1.96 116.42 123.92 1k1d h ASP 132 Ca 0.20 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 1k1d h ASP 132 Cb -0.08 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.20 1k1d h ASP 132 CO -0.04 1.01 0.01 0.58 -1.72 0.00 0.00 179.24 179.08 1k1d h VAL 133 N 1.00 1.21 -0.33 -1.35 2.07 -1.29 -2.39 116.25 115.18 1k1d h VAL 133 Ca 0.20 -0.65 0.10 0.00 0.82 0.00 0.00 66.70 67.16 1k1d h VAL 133 Cb 0.43 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 1k1d h VAL 133 CO 0.01 0.18 0.26 -0.07 0.02 0.00 0.00 177.57 177.98 1k1d h LEU 134 N -0.15 0.00 -0.05 2.57 3.38 -0.38 -0.70 115.31 119.98 1k1d h LEU 134 Ca 0.02 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.74 1k1d h LEU 134 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1k1d h LEU 134 CO 0.00 0.00 -1.07 -0.33 0.09 0.00 0.00 178.44 177.13 1k1d h GLU 135 N 0.00 0.30 0.01 1.13 5.08 -1.01 -3.36 114.58 116.74 1k1d h GLU 135 Ca 0.16 -0.41 -0.09 0.00 -1.00 0.00 0.00 59.36 58.01 1k1d h GLU 135 Cb 0.68 0.14 0.01 0.00 0.50 0.00 0.00 28.75 30.08 1k1d h GLU 135 CO -0.00 1.13 -0.37 0.93 -1.00 0.00 0.00 179.01 179.70 1k1d h GLU 136 N 0.13 0.23 -0.75 2.33 5.08 -0.69 -3.38 114.58 117.54 1k1d h GLU 136 Ca -0.10 -0.26 0.08 0.00 -1.00 0.00 0.00 59.36 58.08 1k1d h GLU 136 Cb 1.75 0.08 -0.10 0.00 0.50 0.00 0.00 28.75 30.98 1k1d h GLU 136 CO 0.18 1.00 -0.39 1.28 -1.00 0.00 0.00 179.01 180.08 1k1d n LEU 137 N -4.41 -0.69 -0.29 1.33 4.77 -0.44 0.12 117.00 117.40 1k1d n LEU 137 Ca -0.10 1.33 0.11 0.00 -0.03 0.00 0.00 56.01 57.31 1k1d n LEU 137 Cb 0.58 -0.22 0.35 0.00 -2.33 0.00 0.00 43.42 41.80 1k1d n LEU 137 CO 0.42 -1.12 1.22 1.55 -1.33 0.00 0.00 177.39 178.13 1k1d h PRO 138 N 0.00 0.73 -0.24 3.23 0.13 -1.75 0.12 132.00 134.22 1k1d h PRO 138 Ca 0.17 -0.04 -0.17 0.00 -0.87 0.00 0.00 66.00 65.08 1k1d h PRO 138 Cb 0.36 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 31.32 1k1d h PRO 138 CO -0.72 0.49 -0.51 0.87 -0.23 0.00 0.00 178.00 177.90 1k1d h LYS 139 N 0.76 0.78 -0.07 0.86 1.57 0.79 -2.58 116.57 118.67 1k1d h LYS 139 Ca 0.46 -0.51 0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1k1d h LYS 139 Cb 0.67 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.04 1k1d h LYS 139 CO -0.22 1.14 0.11 0.28 -0.57 0.00 0.00 179.45 180.19 1k1d h VAL 140 N 0.52 0.34 0.00 0.50 2.07 0.24 0.11 116.25 120.03 1k1d h VAL 140 Ca 0.01 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 1k1d h VAL 140 Cb 1.12 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1k1d h VAL 140 CO 0.11 0.00 -0.14 -0.07 0.02 0.00 0.00 177.57 177.49 1k1d h LEU 141 N 0.00 0.00 0.72 2.57 3.38 -0.68 -3.09 115.31 118.20 1k1d h LEU 141 Ca 0.03 -0.41 -0.04 0.00 0.09 0.00 0.00 57.88 57.56 1k1d h LEU 141 Cb 0.26 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.01 1k1d h LEU 141 CO -0.00 0.78 -0.34 -0.33 0.09 0.00 0.00 178.44 178.64 1k1d h GLU 142 N -1.00 -0.93 -5.59 1.13 3.07 -1.12 -3.38 114.58 106.77 1k1d h GLU 142 Ca -0.03 0.06 -0.60 0.00 -0.50 0.00 0.00 59.36 58.29 1k1d h GLU 142 Cb 0.51 0.21 -0.10 0.00 -0.84 0.00 0.00 28.75 28.53 1k1d h GLU 142 CO -0.02 -0.62 0.19 -2.00 -1.40 0.00 0.00 179.01 175.17 1k1d s GLU 143 N -4.72 4.15 0.00 2.33 2.56 0.36 -4.57 118.70 118.81 1k1d s GLU 143 Ca -0.14 0.62 0.00 0.00 0.00 0.00 0.00 54.97 55.45 1k1d s GLU 143 Cb 0.01 -3.63 0.00 0.00 2.00 0.00 0.00 34.13 32.51 1k1d s GLU 143 CO 0.42 -0.38 0.00 -1.91 -0.56 0.00 0.00 175.26 172.83 1k1d n GLU 144 N 5.58 0.00 -0.61 4.30 4.07 -1.26 -4.06 120.64 128.66 1k1d n GLU 144 Ca 0.00 0.37 -0.07 0.00 -0.06 0.00 0.00 57.16 57.40 1k1d n GLU 144 Cb 0.49 -0.37 -0.10 0.00 -0.06 0.00 0.00 31.44 31.40 1k1d n GLU 144 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1k1d n GLY 145 N 0.77 2.22 3.43 8.31 0.00 -1.26 -4.07 105.19 114.59 1k1d n GLY 145 Ca 0.00 -0.72 -0.44 0.00 0.00 0.00 0.00 46.02 44.86 1k1d n GLY 145 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k1d s ILE 146 N 1.72 4.57 -0.24 -0.61 -1.09 -1.17 -0.88 121.20 123.50 1k1d s ILE 146 Ca 0.40 -0.81 0.16 0.00 -2.23 0.00 0.00 60.65 58.17 1k1d s ILE 146 Cb 0.19 -4.64 0.41 0.00 -1.58 0.00 0.00 42.46 36.85 1k1d s ILE 146 CO 0.00 -1.36 1.31 0.35 -1.23 0.00 0.00 174.94 174.01 1k1d n THR 147 N 5.69 1.97 -3.72 2.92 -2.24 -1.26 -4.20 114.28 113.44 1k1d n THR 147 Ca -0.00 -1.83 -0.28 0.00 -2.27 0.00 0.00 64.05 59.66 1k1d n THR 147 Cb 0.45 -0.12 -0.16 0.00 -2.10 0.00 0.00 70.33 68.40 1k1d n THR 147 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1k1d s SER 148 N -2.03 3.25 0.78 3.42 1.04 -1.26 -1.42 113.70 117.48 1k1d s SER 148 Ca 0.35 -1.07 -0.03 0.00 0.48 0.00 0.00 55.95 55.69 1k1d s SER 148 Cb 0.28 -0.65 0.16 0.00 0.10 0.00 0.00 66.02 65.91 1k1d s SER 148 CO 0.08 -0.34 1.05 0.18 0.98 0.00 0.00 173.24 175.18 1k1d n LEU 149 N 5.01 0.00 0.00 2.42 4.77 -0.81 -2.10 117.00 126.29 1k1d n LEU 149 Ca -0.07 -2.02 0.00 0.00 -0.03 0.00 0.00 56.01 53.89 1k1d n LEU 149 Cb 0.45 -0.70 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1k1d n LEU 149 CO 0.12 -1.05 0.00 0.52 -1.33 0.00 0.00 177.39 175.64 1k1d n VAL 151 N -3.00 0.00 -3.37 4.08 0.31 0.16 -1.36 118.33 115.15 1k1d n VAL 151 Ca 0.17 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 64.11 1k1d n VAL 151 Cb 0.59 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.44 1k1d n VAL 151 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1k1d s PHE 152 N -0.13 3.36 -0.83 3.52 0.40 -1.26 -0.99 117.98 122.05 1k1d s PHE 152 Ca 0.00 0.62 0.23 0.00 -0.60 0.00 0.00 56.93 57.18 1k1d s PHE 152 Cb 0.00 -2.55 0.15 0.00 0.51 0.00 0.00 43.02 41.14 1k1d s PHE 152 CO 0.00 -0.04 1.14 -1.33 0.70 0.00 0.00 175.22 175.69 1k1d n MET 153 N 4.57 0.13 -1.83 0.44 2.81 -0.64 -1.66 117.12 120.94 1k1d n MET 153 Ca -0.08 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.81 1k1d n MET 153 Cb 0.51 -1.54 0.00 0.00 -0.71 0.00 0.00 33.22 31.48 1k1d n MET 153 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1k1d n ALA 154 N -1.65 0.00 -2.82 3.04 0.00 -1.11 -2.39 120.51 115.59 1k1d n ALA 154 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.37 1k1d n ALA 154 Cb 0.38 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.88 1k1d n ALA 154 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1k1d n TYR 155 N -0.12 -1.55 -1.56 0.00 4.01 -1.26 -2.70 117.16 113.98 1k1d n TYR 155 Ca 0.00 0.60 -0.43 0.00 -0.16 0.00 0.00 57.90 57.91 1k1d n TYR 155 Cb 0.00 -3.84 -0.00 0.00 -0.31 0.00 0.00 39.34 35.19 1k1d n TYR 155 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1k1d n LYS 156 N -2.88 1.15 -2.33 -0.72 4.81 -1.26 -1.64 118.16 115.29 1k1d n LYS 156 Ca -0.12 0.41 -0.18 0.00 -0.87 0.00 0.00 58.31 57.55 1k1d n LYS 156 Cb 0.60 -1.81 -0.01 0.00 0.02 0.00 0.00 35.03 33.83 1k1d n LYS 156 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1k1d n ASN 157 N 1.04 -5.09 0.00 3.14 3.02 -1.26 -4.68 115.26 111.43 1k1d n ASN 157 Ca 0.10 0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.75 1k1d n ASN 157 Cb 0.35 -4.29 0.00 0.00 -0.61 0.00 0.00 39.78 35.23 1k1d n ASN 157 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1k1d n VAL 158 N -3.61 0.00 0.00 2.41 0.31 -0.67 -4.99 118.33 111.78 1k1d n VAL 158 Ca -0.21 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 1k1d n VAL 158 Cb 0.65 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.58 1k1d n VAL 158 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1k1d n PHE 159 N -1.32 0.00 -1.34 3.52 3.01 -0.65 -5.12 117.46 115.57 1k1d n PHE 159 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.05 1k1d n PHE 159 Cb 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.48 1k1d n PHE 159 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 1k1d n GLN 160 N -0.46 0.17 -3.90 -1.08 7.27 -1.01 -4.38 117.38 113.99 1k1d n GLN 160 Ca 0.00 0.06 -0.11 0.00 0.07 0.00 0.00 57.00 57.02 1k1d n GLN 160 Cb 0.00 -1.18 -0.13 0.00 2.41 0.00 0.00 30.24 31.34 1k1d n GLN 160 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1k1d s ALA 161 N -1.72 0.02 0.81 1.69 0.00 -0.66 -4.86 121.76 117.05 1k1d s ALA 161 Ca 0.61 -0.16 -0.11 0.00 0.00 0.00 0.00 51.96 52.29 1k1d s ALA 161 Cb -0.58 0.04 0.08 0.00 0.00 0.00 0.00 23.12 22.66 1k1d s ALA 161 CO 0.62 -0.05 1.09 0.16 0.00 0.00 0.00 175.76 177.58 1k1d s ASP 162 N -0.42 4.29 0.57 0.00 1.47 -1.26 -4.77 116.67 116.55 1k1d s ASP 162 Ca -0.05 1.45 0.26 0.00 1.18 0.00 0.00 52.55 55.40 1k1d s ASP 162 Cb -0.03 -2.18 1.55 0.00 -0.34 0.00 0.00 42.92 41.92 1k1d s ASP 162 CO -0.00 -2.11 2.09 0.44 0.68 0.00 0.00 175.17 176.26 1k1d h ASP 163 N -1.19 0.00 -0.50 2.11 3.32 -2.00 0.23 116.42 118.40 1k1d h ASP 163 Ca -0.47 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.49 1k1d h ASP 163 Cb 1.26 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.80 1k1d h ASP 163 CO 0.57 0.00 -0.05 1.23 -1.72 0.00 0.00 179.24 179.27 1k1d h GLY 164 N 0.00 1.00 0.94 2.75 0.00 -1.98 0.92 103.07 106.70 1k1d h GLY 164 Ca 0.11 -0.77 -0.08 0.00 0.00 0.00 0.00 47.33 46.59 1k1d h GLY 164 CO -0.00 0.71 -0.09 -0.84 0.00 0.00 0.00 176.54 176.32 1k1d h THR 165 N 0.78 1.28 -0.06 4.70 2.02 -1.35 -0.38 112.91 119.91 1k1d h THR 165 Ca 0.14 -1.16 -0.00 0.00 0.77 0.00 0.00 66.41 66.16 1k1d h THR 165 Cb 0.59 1.30 -0.00 0.00 -1.74 0.00 0.00 68.15 68.29 1k1d h THR 165 CO 0.04 0.38 0.03 0.25 0.37 0.00 0.00 175.52 176.59 1k1d h LEU 166 N 0.48 0.07 -0.00 2.58 5.85 -0.90 -1.65 115.31 121.74 1k1d h LEU 166 Ca 0.09 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.74 1k1d h LEU 166 Cb 0.60 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 1k1d h LEU 166 CO 0.04 0.13 -0.06 0.22 -0.34 0.00 0.00 178.44 178.43 1k1d h TYR 167 N 0.01 -0.14 0.00 1.25 5.03 0.10 -0.66 116.97 122.56 1k1d h TYR 167 Ca 0.02 0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.30 1k1d h TYR 167 Cb 0.07 0.06 -0.00 0.00 1.55 0.00 0.00 36.73 38.41 1k1d h TYR 167 CO -0.05 -0.09 -0.15 0.00 -1.32 0.00 0.00 178.16 176.55 1k1d h THR 169 N 0.00 1.31 -0.72 0.00 2.02 -0.66 0.07 112.91 114.94 1k1d h THR 169 Ca -0.00 -1.21 0.09 0.00 0.77 0.00 0.00 66.41 66.06 1k1d h THR 169 Cb 0.30 1.64 -0.07 0.00 -1.74 0.00 0.00 68.15 68.29 1k1d h THR 169 CO 0.02 0.37 0.37 -0.07 0.37 0.00 0.00 175.52 176.58 1k1d h LEU 170 N 0.16 0.50 0.54 2.58 3.38 -0.49 0.49 115.31 122.47 1k1d h LEU 170 Ca 0.05 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1k1d h LEU 170 Cb 0.63 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.35 1k1d h LEU 170 CO 0.04 0.29 -0.26 -0.07 0.09 0.00 0.00 178.44 178.53 1k1d h LEU 171 N 0.64 -0.61 -0.77 1.67 3.38 -1.17 0.66 115.31 119.11 1k1d h LEU 171 Ca 0.35 -0.05 0.17 0.00 0.09 0.00 0.00 57.88 58.44 1k1d h LEU 171 Cb 0.34 0.16 -0.12 0.00 0.09 0.00 0.00 40.66 41.13 1k1d h LEU 171 CO -0.25 -0.30 0.19 0.00 0.09 0.00 0.00 178.44 178.17 1k1d h ALA 172 N -0.59 1.01 0.24 1.53 0.00 -0.57 0.16 119.26 121.04 1k1d h ALA 172 Ca -0.07 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1k1d h ALA 172 Cb 0.62 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1k1d h ALA 172 CO 0.12 -0.35 -0.14 0.00 0.00 0.00 0.00 179.25 178.87 1k1d h ALA 173 N 1.64 -0.36 -0.55 0.00 0.00 0.21 0.55 119.26 120.76 1k1d h ALA 173 Ca 0.44 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.35 1k1d h ALA 173 Cb 0.77 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 1k1d h ALA 173 CO -0.54 -0.71 0.23 -0.22 0.00 0.00 0.00 179.25 178.02 1k1d h LYS 174 N -0.37 0.42 0.75 0.00 3.64 0.65 0.60 116.57 122.26 1k1d h LYS 174 Ca -0.02 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 1k1d h LYS 174 Cb 0.30 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1k1d h LYS 174 CO 0.03 0.28 -0.36 1.49 -2.27 0.00 0.00 179.45 178.62 1k1d h GLU 175 N 0.43 -0.97 0.00 1.90 4.81 -0.39 -3.23 114.58 117.14 1k1d h GLU 175 Ca 0.26 0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.54 1k1d h GLU 175 Cb 0.26 0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.86 1k1d h GLU 175 CO -0.24 -0.62 -0.11 -0.07 -0.73 0.00 0.00 179.01 177.24 1k1d h LEU 176 N -1.14 0.00 -1.03 1.64 3.38 0.29 -3.48 115.31 114.98 1k1d h LEU 176 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1k1d h LEU 176 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1k1d h LEU 176 CO 0.17 0.11 0.00 0.61 0.09 0.00 0.00 178.44 179.42 1k1d n GLY 177 N 0.13 0.54 3.37 0.83 0.00 0.19 -5.06 105.19 105.20 1k1d n GLY 177 Ca 0.01 -0.28 -0.19 0.00 0.00 0.00 0.00 46.02 45.55 1k1d n GLY 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k1d s ALA 178 N -2.04 2.06 -0.18 4.61 0.00 -0.36 -4.01 121.76 121.83 1k1d s ALA 178 Ca 0.00 -1.77 -0.06 0.00 0.00 0.00 0.00 51.96 50.14 1k1d s ALA 178 Cb 0.00 0.16 -0.03 0.00 0.00 0.00 0.00 23.12 23.24 1k1d s ALA 178 CO 0.00 -0.07 0.02 -1.17 0.00 0.00 0.00 175.76 174.54 1k1d s LEU 179 N -3.35 3.49 -0.13 0.00 2.96 -0.51 -4.42 118.68 116.71 1k1d s LEU 179 Ca 0.26 -0.07 -0.22 0.00 -0.22 0.00 0.00 54.13 53.88 1k1d s LEU 179 Cb 0.03 -1.88 -0.03 0.00 0.50 0.00 0.00 46.19 44.81 1k1d s LEU 179 CO 0.09 0.13 0.67 -0.69 -1.32 0.00 0.00 176.35 175.22 1k1d s VAL 180 N 0.62 5.03 0.09 1.68 1.01 -1.10 -1.93 120.40 125.80 1k1d s VAL 180 Ca 0.01 1.33 0.03 0.00 0.00 0.00 0.00 61.98 63.34 1k1d s VAL 180 Cb -0.14 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 1k1d s VAL 180 CO 0.02 0.18 0.09 -0.04 0.00 0.00 0.00 175.10 175.35 1k1d s MET 181 N 1.36 2.92 -0.03 2.72 1.00 -0.46 -1.25 119.30 125.56 1k1d s MET 181 Ca 0.33 -0.70 -0.02 0.00 0.00 0.00 0.00 55.69 55.31 1k1d s MET 181 Cb -0.17 -2.74 0.01 0.00 0.00 0.00 0.00 34.83 31.94 1k1d s MET 181 CO 0.14 0.56 0.07 0.08 0.00 0.00 0.00 175.02 175.86 1k1d s VAL 182 N -1.44 -0.01 -0.62 -6.03 1.01 -0.62 -0.67 120.40 112.03 1k1d s VAL 182 Ca 0.30 0.04 -0.17 0.00 0.00 0.00 0.00 61.98 62.15 1k1d s VAL 182 Cb -0.12 -0.11 0.13 0.00 0.00 0.00 0.00 36.38 36.28 1k1d s VAL 182 CO 0.23 0.02 0.66 -2.28 0.00 0.00 0.00 175.10 173.72 1k1d s HIS 183 N 0.25 3.19 -1.04 5.22 2.46 -0.16 -1.82 115.29 123.39 1k1d s HIS 183 Ca -0.02 -1.24 -0.18 0.00 0.47 0.00 0.00 55.06 54.09 1k1d s HIS 183 Cb -0.03 -3.93 0.12 0.00 -0.13 0.00 0.00 32.58 28.62 1k1d s HIS 183 CO -0.01 -1.17 1.31 0.00 -2.47 0.00 0.00 174.74 172.40 1k1d s ALA 184 N 1.96 3.37 -0.05 1.58 0.00 -1.26 -1.62 121.76 125.74 1k1d s ALA 184 Ca 0.10 -2.81 -0.04 0.00 0.00 0.00 0.00 51.96 49.22 1k1d s ALA 184 Cb -0.24 -4.21 0.02 0.00 0.00 0.00 0.00 23.12 18.70 1k1d s ALA 184 CO 0.02 -3.09 0.13 -1.21 0.00 0.00 0.00 175.76 171.62 1k1d s GLU 185 N 3.03 0.13 -0.97 0.00 2.02 -1.26 -4.30 118.70 117.34 1k1d s GLU 185 Ca 0.39 0.25 -0.24 0.00 0.02 0.00 0.00 54.97 55.39 1k1d s GLU 185 Cb -0.03 -0.02 -0.03 0.00 0.10 0.00 0.00 34.13 34.15 1k1d s GLU 185 CO -0.06 -0.07 1.84 1.21 0.02 0.00 0.00 175.26 178.19 1k1d s ASN 186 N 0.47 5.46 0.21 -0.19 3.84 -0.89 -2.74 114.94 121.10 1k1d s ASN 186 Ca -0.03 -1.00 -0.12 0.00 0.21 0.00 0.00 52.86 51.91 1k1d s ASN 186 Cb -0.05 -2.57 0.27 0.00 -0.55 0.00 0.00 41.25 38.35 1k1d s ASN 186 CO -0.02 -2.48 1.65 1.23 -2.79 0.00 0.00 177.10 174.69 1k1d h GLY 187 N 16.65 0.58 0.82 1.21 0.00 -1.80 -1.58 103.07 118.94 1k1d h GLY 187 Ca 0.14 0.12 0.05 0.00 0.00 0.00 0.00 47.33 47.65 1k1d h GLY 187 CO 1.26 -0.21 0.64 -0.55 0.00 0.00 0.00 176.54 177.69 1k1d h ASP 188 N 0.08 1.05 0.05 0.19 3.32 -1.88 0.32 116.42 119.53 1k1d h ASP 188 Ca 0.31 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.23 1k1d h ASP 188 Cb 0.49 -0.23 0.01 0.00 0.22 0.00 0.00 39.33 39.83 1k1d h ASP 188 CO -0.55 0.69 -0.55 0.58 -1.72 0.00 0.00 179.24 177.69 1k1d h VAL 189 N 1.20 1.51 -0.96 -1.35 2.07 -1.89 -3.06 116.25 113.77 1k1d h VAL 189 Ca 0.41 -2.23 0.19 0.00 0.82 0.00 0.00 66.70 65.89 1k1d h VAL 189 Cb 0.10 2.90 -0.09 0.00 -1.52 0.00 0.00 31.29 32.69 1k1d h VAL 189 CO -0.15 0.63 0.61 0.40 0.02 0.00 0.00 177.57 179.08 1k1d h ILE 190 N -0.35 0.72 0.54 4.57 2.04 -1.06 -1.52 117.51 122.44 1k1d h ILE 190 Ca -0.08 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 1k1d h ILE 190 Cb 1.33 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 1k1d h ILE 190 CO 0.11 0.11 -0.35 -0.78 0.00 0.00 0.00 178.15 177.24 1k1d h ASP 191 N 0.62 -0.88 -0.62 1.72 1.82 -0.89 0.15 116.42 118.33 1k1d h ASP 191 Ca 0.52 0.05 0.04 0.00 -0.39 0.00 0.00 57.03 57.26 1k1d h ASP 191 Cb 0.98 0.27 -0.05 0.00 0.68 0.00 0.00 39.33 41.21 1k1d h ASP 191 CO -0.27 -0.54 0.36 1.88 -1.61 0.00 0.00 179.24 179.06 1k1d h TYR 192 N -0.85 0.67 -0.51 0.28 -1.99 -1.24 -0.47 116.97 112.86 1k1d h TYR 192 Ca -0.06 0.02 0.05 0.00 2.00 0.00 0.00 58.73 60.74 1k1d h TYR 192 Cb 0.70 -0.21 -0.05 0.00 2.00 0.00 0.00 36.73 39.17 1k1d h TYR 192 CO -0.11 0.35 0.25 -0.07 -0.00 0.00 0.00 178.16 178.58 1k1d h LEU 193 N 0.69 0.35 0.42 3.88 3.38 -1.11 0.31 115.31 123.24 1k1d h LEU 193 Ca 0.27 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 1k1d h LEU 193 Cb 0.10 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1k1d h LEU 193 CO -0.14 0.24 -0.28 0.74 0.09 0.00 0.00 178.44 179.09 1k1d h THR 194 N 0.49 0.41 -0.36 0.22 2.02 0.07 0.51 112.91 116.27 1k1d h THR 194 Ca 0.23 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.47 1k1d h THR 194 Cb 0.15 0.41 -0.06 0.00 -1.74 0.00 0.00 68.15 66.92 1k1d h THR 194 CO -0.17 0.00 0.01 0.11 0.37 0.00 0.00 175.52 175.84 1k1d h LYS 195 N -0.69 0.11 -0.57 6.66 1.57 -0.79 -2.24 116.57 120.62 1k1d h LYS 195 Ca -0.04 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1k1d h LYS 195 Cb 0.57 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.83 1k1d h LYS 195 CO 0.03 0.07 0.31 -0.22 -0.57 0.00 0.00 179.45 179.07 1k1d h LYS 196 N 0.11 0.80 -0.26 3.15 3.64 -0.77 -0.26 116.57 122.98 1k1d h LYS 196 Ca 0.18 -0.10 0.06 0.00 -1.27 0.00 0.00 60.65 59.52 1k1d h LYS 196 Cb 0.24 -0.16 -0.07 0.00 -0.41 0.00 0.00 32.23 31.83 1k1d h LYS 196 CO -0.29 0.62 -0.27 0.00 -2.27 0.00 0.00 179.45 177.24 1k1d h ALA 197 N 1.14 -0.18 -0.03 5.00 0.00 -0.40 -0.69 119.26 124.10 1k1d h ALA 197 Ca 0.20 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.20 1k1d h ALA 197 Cb 0.06 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1k1d h ALA 197 CO -0.03 -0.70 -0.04 -0.07 0.00 0.00 0.00 179.25 178.41 1k1d h LEU 198 N -0.27 -0.12 -1.81 0.00 3.38 -1.19 -0.99 115.31 114.31 1k1d h LEU 198 Ca 0.14 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1k1d h LEU 198 Cb 0.49 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1k1d h LEU 198 CO -0.42 -0.06 0.35 0.00 0.09 0.00 0.00 178.44 178.41 1k1d h ALA 199 N 0.97 1.34 -0.41 1.53 0.00 -0.04 0.44 119.26 123.08 1k1d h ALA 199 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1k1d h ALA 199 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1k1d h ALA 199 CO -0.06 -0.34 0.00 -0.25 0.00 0.00 0.00 179.25 178.59 1k1d n ASP 200 N -2.79 3.54 0.00 0.00 8.00 -0.36 -4.97 116.55 119.97 1k1d n ASP 200 Ca -0.02 -2.30 0.00 0.00 0.71 0.00 0.00 54.79 53.18 1k1d n ASP 200 Cb 0.40 -0.38 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 1k1d n ASP 200 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1k1d n GLY 201 N 0.49 1.04 3.55 0.44 0.00 0.15 -4.98 105.19 105.88 1k1d n GLY 201 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1k1d n GLY 201 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1k1d s ASN 202 N -3.02 6.02 -0.00 1.61 0.01 -0.47 -4.73 114.94 114.36 1k1d s ASN 202 Ca 0.00 -0.29 0.00 0.00 -0.71 0.00 0.00 52.86 51.86 1k1d s ASN 202 Cb 0.00 -2.55 -0.00 0.00 0.41 0.00 0.00 41.25 39.10 1k1d s ASN 202 CO 0.00 -1.92 0.01 0.35 -1.51 0.00 0.00 177.10 174.04 1k1d n THR 203 N 6.53 0.00 -1.02 1.60 -2.24 -1.26 -3.86 114.28 114.03 1k1d n THR 203 Ca 0.06 -0.39 -0.33 0.00 -2.27 0.00 0.00 64.05 61.12 1k1d n THR 203 Cb 0.49 0.89 0.13 0.00 -2.10 0.00 0.00 70.33 69.75 1k1d n THR 203 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1k1d n ASP 204 N -1.11 0.38 -0.27 3.42 8.00 -1.26 -1.64 116.55 124.06 1k1d n ASP 204 Ca 0.00 0.53 0.27 0.00 0.71 0.00 0.00 54.79 56.30 1k1d n ASP 204 Cb 0.01 -1.45 0.62 0.00 -0.02 0.00 0.00 41.12 40.28 1k1d n ASP 204 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 1k1d h PRO 205 N -1.09 0.20 -0.05 -0.24 0.11 -1.92 -1.48 132.00 127.53 1k1d h PRO 205 Ca -0.45 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.60 1k1d h PRO 205 Cb 1.30 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1k1d h PRO 205 CO 0.44 0.13 -0.18 0.97 -0.21 0.00 0.00 178.00 179.15 1k1d h ILE 206 N 0.21 1.16 0.00 4.15 2.10 -1.89 -1.48 117.51 121.75 1k1d h ILE 206 Ca 0.52 -0.74 0.00 0.00 1.08 0.00 0.00 64.86 65.72 1k1d h ILE 206 Cb 1.68 1.33 0.00 0.00 -1.09 0.00 0.00 36.82 38.73 1k1d h ILE 206 CO -0.14 0.22 0.00 -1.22 -1.08 0.00 0.00 178.15 175.93 1k1d n TYR 207 N -4.29 0.17 -0.16 2.19 4.02 -0.56 -1.12 117.16 117.42 1k1d n TYR 207 Ca -0.02 0.07 -0.08 0.00 -0.01 0.00 0.00 57.90 57.86 1k1d n TYR 207 Cb 0.27 -0.61 0.06 0.00 -0.02 0.00 0.00 39.34 39.03 1k1d n TYR 207 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 1k1d h HIS 208 N 0.00 1.05 0.03 -0.72 2.76 -1.40 0.58 115.15 117.45 1k1d h HIS 208 Ca 0.00 -0.20 -0.00 0.00 -2.20 0.00 0.00 60.37 57.97 1k1d h HIS 208 Cb 0.20 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 28.89 1k1d h HIS 208 CO 0.00 0.98 -0.02 0.00 -1.30 0.00 0.00 177.93 177.59 1k1d h ALA 209 N 1.03 -0.05 -0.02 5.26 0.00 -1.26 -3.32 119.26 120.91 1k1d h ALA 209 Ca 0.14 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1k1d h ALA 209 Cb 0.63 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1k1d h ALA 209 CO 0.04 -0.08 0.02 -0.07 0.00 0.00 0.00 179.25 179.16 1k1d h LEU 210 N -0.93 0.00 -0.30 0.00 3.38 -1.42 -0.04 115.31 116.00 1k1d h LEU 210 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1k1d h LEU 210 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1k1d h LEU 210 CO 0.01 0.00 0.00 1.07 0.09 0.00 0.00 178.44 179.61 1k1d n THR 211 N -3.98 0.73 -3.30 0.22 5.66 0.19 -4.15 114.28 109.66 1k1d n THR 211 Ca -0.02 0.12 -0.25 0.00 -3.05 0.00 0.00 64.05 60.84 1k1d n THR 211 Cb 0.11 -0.94 -0.09 0.00 -1.55 0.00 0.00 70.33 67.87 1k1d n THR 211 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 1k1d n ARG 212 N -1.95 0.38 -1.68 1.09 1.85 -0.03 -4.48 116.66 111.84 1k1d n ARG 212 Ca 0.04 -3.14 -0.38 0.00 -1.00 0.00 0.00 57.85 53.37 1k1d n ARG 212 Cb 0.26 -1.51 0.05 0.00 -1.05 0.00 0.00 32.46 30.22 1k1d n ARG 212 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 1k1d n PRO 213 N 2.34 1.19 0.29 2.89 -0.04 -1.25 -4.78 135.00 135.64 1k1d n PRO 213 Ca 0.26 0.45 0.18 0.00 -0.04 0.00 0.00 63.50 64.36 1k1d n PRO 213 Cb 0.50 -2.37 0.94 0.00 -0.04 0.00 0.00 33.50 32.53 1k1d n PRO 213 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 1k1d h PRO 214 N 0.80 0.00 -0.94 0.54 0.13 -1.98 -0.67 132.00 129.89 1k1d h PRO 214 Ca -0.49 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.67 1k1d h PRO 214 Cb 1.34 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.42 1k1d h PRO 214 CO 0.53 0.00 0.61 0.93 -0.23 0.00 0.00 178.00 179.85 1k1d h GLU 215 N 0.00 1.16 0.00 0.86 3.07 -1.99 0.34 114.58 118.01 1k1d h GLU 215 Ca 0.03 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1k1d h GLU 215 Cb 0.45 -0.26 0.00 0.00 -0.84 0.00 0.00 28.75 28.10 1k1d h GLU 215 CO -0.00 0.77 0.00 -0.07 -1.40 0.00 0.00 179.01 178.30 1k1d h LEU 216 N 1.19 0.00 0.19 1.33 3.38 -1.46 0.16 115.31 120.10 1k1d h LEU 216 Ca 0.37 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 58.05 1k1d h LEU 216 Cb -0.01 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.77 1k1d h LEU 216 CO -0.12 0.00 -1.33 -0.08 0.09 0.00 0.00 178.44 177.00 1k1d h GLU 217 N 0.00 0.40 -0.09 1.13 4.81 -1.11 -2.30 114.58 117.42 1k1d h GLU 217 Ca 0.00 -0.69 -0.01 0.00 -0.13 0.00 0.00 59.36 58.53 1k1d h GLU 217 Cb 0.58 0.26 -0.00 0.00 0.63 0.00 0.00 28.75 30.21 1k1d h GLU 217 CO 0.00 1.33 0.02 0.78 -0.73 0.00 0.00 179.01 180.41 1k1d h GLY 218 N 0.07 0.16 0.12 1.92 0.00 -0.83 -0.49 103.07 104.02 1k1d h GLY 218 Ca -0.25 -0.10 0.01 0.00 0.00 0.00 0.00 47.33 47.00 1k1d h GLY 218 CO 0.19 0.09 -0.52 -2.09 0.00 0.00 0.00 176.54 174.21 1k1d h GLU 219 N -0.06 -0.71 -0.32 4.80 4.22 -0.78 0.19 114.58 121.92 1k1d h GLU 219 Ca 0.03 0.05 0.07 0.00 0.08 0.00 0.00 59.36 59.58 1k1d h GLU 219 Cb 0.25 0.16 -0.06 0.00 0.50 0.00 0.00 28.75 29.60 1k1d h GLU 219 CO 0.00 -0.47 -0.09 0.00 -2.18 0.00 0.00 179.01 176.26 1k1d h ALA 220 N -0.48 0.19 -0.96 2.92 0.00 -1.45 -1.13 119.26 118.35 1k1d h ALA 220 Ca -0.00 0.12 0.15 0.00 0.00 0.00 0.00 54.91 55.18 1k1d h ALA 220 Cb 0.75 0.27 -0.08 0.00 0.00 0.00 0.00 17.79 18.73 1k1d h ALA 220 CO -0.30 -0.48 0.61 1.15 0.00 0.00 0.00 179.25 180.24 1k1d h THR 221 N -0.02 0.84 0.08 0.00 2.02 -0.59 -1.85 112.91 113.39 1k1d h THR 221 Ca 0.16 -0.28 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 1k1d h THR 221 Cb 0.26 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.62 1k1d h THR 221 CO -0.34 0.15 -0.04 1.23 0.37 0.00 0.00 175.52 176.89 1k1d h GLY 222 N 0.82 -0.11 0.47 2.16 0.00 0.29 -1.66 103.07 105.04 1k1d h GLY 222 Ca 0.49 0.04 0.04 0.00 0.00 0.00 0.00 47.33 47.91 1k1d h GLY 222 CO -0.26 -0.04 -0.13 3.21 0.00 0.00 0.00 176.54 179.32 1k1d h ARG 223 N -0.18 -0.14 -0.69 4.80 3.08 -0.83 0.26 114.38 120.68 1k1d h ARG 223 Ca -0.01 0.01 0.15 0.00 0.07 0.00 0.00 59.98 60.20 1k1d h ARG 223 Cb 0.15 0.03 -0.11 0.00 0.08 0.00 0.00 29.97 30.12 1k1d h ARG 223 CO 0.02 -0.09 0.08 0.00 -1.07 0.00 0.00 179.97 178.91 1k1d h ALA 224 N 0.96 0.79 0.76 0.04 0.00 -1.27 0.39 119.26 120.93 1k1d h ALA 224 Ca 0.10 0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 1k1d h ALA 224 Cb 0.29 0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.38 1k1d h ALA 224 CO -0.25 -0.37 -0.36 0.00 0.00 0.00 0.00 179.25 178.27 1k1d h GLN 226 N -1.20 0.21 -0.40 0.00 4.20 0.06 0.30 115.11 118.27 1k1d h GLN 226 Ca -0.10 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.56 1k1d h GLN 226 Cb 0.80 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.51 1k1d h GLN 226 CO 0.17 0.14 0.13 -0.07 -0.67 0.00 0.00 178.83 178.53 1k1d h LEU 227 N 0.21 0.57 -1.49 1.46 3.38 -0.22 -0.84 115.31 118.39 1k1d h LEU 227 Ca 0.35 -0.20 0.09 0.00 0.09 0.00 0.00 57.88 58.22 1k1d h LEU 227 Cb 0.58 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 1k1d h LEU 227 CO -0.49 0.62 0.46 0.74 0.09 0.00 0.00 178.44 179.86 1k1d h THR 228 N 0.49 0.93 0.51 0.22 2.02 0.20 0.38 112.91 117.66 1k1d h THR 228 Ca 0.13 -0.20 -0.03 0.00 0.77 0.00 0.00 66.41 67.08 1k1d h THR 228 Cb 0.25 0.30 0.01 0.00 -1.74 0.00 0.00 68.15 66.96 1k1d h THR 228 CO -0.01 0.11 -0.25 -0.08 0.37 0.00 0.00 175.52 175.66 1k1d h GLU 229 N 0.58 -0.66 -0.58 6.66 4.81 0.13 0.14 114.58 125.65 1k1d h GLU 229 Ca 0.32 0.05 0.12 0.00 -0.13 0.00 0.00 59.36 59.71 1k1d h GLU 229 Cb 0.47 0.15 -0.10 0.00 0.63 0.00 0.00 28.75 29.90 1k1d h GLU 229 CO -0.11 -0.36 -0.05 1.25 -0.73 0.00 0.00 179.01 179.02 1k1d h LEU 230 N -0.95 -0.35 -1.22 1.64 5.85 -0.34 0.20 115.31 120.14 1k1d h LEU 230 Ca -0.07 0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 1k1d h LEU 230 Cb 0.61 0.29 -0.00 0.00 0.37 0.00 0.00 40.66 41.93 1k1d h LEU 230 CO 0.12 -0.14 -0.12 0.00 -0.34 0.00 0.00 178.44 177.96 1k1d h ALA 231 N 1.54 1.02 -1.31 1.25 0.00 -0.93 -3.47 119.26 117.36 1k1d h ALA 231 Ca 0.29 -0.11 -0.23 0.00 0.00 0.00 0.00 54.91 54.86 1k1d h ALA 231 Cb 0.46 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1k1d h ALA 231 CO -0.53 0.16 -0.27 0.41 0.00 0.00 0.00 179.25 179.01 1k1d n GLY 232 N 0.13 0.31 0.00 0.00 0.00 0.70 -4.83 105.19 101.50 1k1d n GLY 232 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1k1d n GLY 232 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1k1d n SER 233 N -0.10 0.00 -4.21 1.61 3.41 -0.94 -4.99 113.62 108.40 1k1d n SER 233 Ca -0.13 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.21 1k1d n SER 233 Cb 0.54 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.33 1k1d n SER 233 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1k1d s GLN 234 N 3.56 1.71 0.19 4.33 0.00 -1.26 -4.43 119.66 123.74 1k1d s GLN 234 Ca 0.00 -0.72 0.11 0.00 -0.00 0.00 0.00 55.36 54.75 1k1d s GLN 234 Cb 0.00 -1.62 -0.04 0.00 0.00 0.00 0.00 33.01 31.35 1k1d s GLN 234 CO 0.00 0.42 -0.23 -1.17 0.00 0.00 0.00 175.29 174.31 1k1d s LEU 235 N -0.41 2.48 -0.29 2.60 2.96 -0.52 -2.71 118.68 122.79 1k1d s LEU 235 Ca 0.06 -0.82 -0.01 0.00 -0.22 0.00 0.00 54.13 53.13 1k1d s LEU 235 Cb -0.08 -1.23 0.13 0.00 0.50 0.00 0.00 46.19 45.50 1k1d s LEU 235 CO -0.00 0.13 0.25 -0.47 -1.32 0.00 0.00 176.35 174.93 1k1d s TYR 236 N -1.61 -0.24 -0.31 5.38 6.14 -0.38 -0.87 117.35 125.46 1k1d s TYR 236 Ca 0.21 -0.38 -0.29 0.00 0.64 0.00 0.00 57.07 57.24 1k1d s TYR 236 Cb -0.08 -0.59 0.02 0.00 0.42 0.00 0.00 41.96 41.73 1k1d s TYR 236 CO 0.10 -0.90 1.09 0.08 0.64 0.00 0.00 175.55 176.57 1k1d s VAL 237 N 2.28 4.49 0.50 3.14 1.01 0.16 -1.58 120.40 130.40 1k1d s VAL 237 Ca 0.09 1.72 -0.17 0.00 0.00 0.00 0.00 61.98 63.63 1k1d s VAL 237 Cb -0.14 -4.39 -0.08 0.00 0.00 0.00 0.00 36.38 31.77 1k1d s VAL 237 CO -0.34 -0.45 0.98 0.68 0.00 0.00 0.00 175.10 175.97 1k1d s VAL 238 N 3.67 4.52 -0.44 2.92 -7.23 -0.75 -1.57 120.40 121.51 1k1d s VAL 238 Ca 0.46 1.25 -0.10 0.00 -1.81 0.00 0.00 61.98 61.78 1k1d s VAL 238 Cb -0.13 -3.70 0.01 0.00 0.56 0.00 0.00 36.38 33.12 1k1d s VAL 238 CO 0.15 -0.64 0.40 0.00 -0.31 0.00 0.00 175.10 174.70 1k1d n HIS 239 N -1.45 -1.45 -2.42 2.82 1.44 -1.08 -4.69 115.22 108.39 1k1d n HIS 239 Ca 0.07 0.60 -0.42 0.00 -2.01 0.00 0.00 57.72 55.96 1k1d n HIS 239 Cb 0.54 -1.50 -0.03 0.00 0.12 0.00 0.00 29.99 29.12 1k1d n HIS 239 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1k1d s VAL 240 N -1.99 4.07 -0.05 0.61 1.01 0.45 -4.77 120.40 119.74 1k1d s VAL 240 Ca 0.09 1.46 -0.06 0.00 0.00 0.00 0.00 61.98 63.48 1k1d s VAL 240 Cb -0.01 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 1k1d s VAL 240 CO 0.57 0.08 -0.13 0.41 0.00 0.00 0.00 175.10 176.03 1k1d n THR 241 N 4.16 0.97 -2.77 3.92 -1.04 -1.26 -4.63 114.28 113.63 1k1d n THR 241 Ca 0.10 0.10 -0.20 0.00 -2.04 0.00 0.00 64.05 62.01 1k1d n THR 241 Cb 0.46 -1.76 0.05 0.00 -1.82 0.00 0.00 70.33 67.26 1k1d n THR 241 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1k1d h ALA 243 N 0.12 -0.03 -0.91 0.00 0.00 -1.95 -2.60 119.26 113.89 1k1d h ALA 243 Ca -0.39 -0.18 0.25 0.00 0.00 0.00 0.00 54.91 54.60 1k1d h ALA 243 Cb 1.29 0.01 -0.15 0.00 0.00 0.00 0.00 17.79 18.93 1k1d h ALA 243 CO 0.47 -0.34 0.21 1.96 0.00 0.00 0.00 179.25 181.54 1k1d h GLN 244 N -0.38 0.14 -0.14 0.00 7.50 -1.96 0.34 115.11 120.62 1k1d h GLN 244 Ca -0.00 -0.01 -0.03 0.00 0.50 0.00 0.00 58.65 59.11 1k1d h GLN 244 Cb 0.36 -0.03 -0.00 0.00 0.05 0.00 0.00 27.48 27.85 1k1d h GLN 244 CO 0.00 0.10 -0.02 0.00 -1.50 0.00 0.00 178.83 177.41 1k1d h ALA 245 N 1.84 0.19 -0.89 3.87 0.00 -1.82 -2.40 119.26 120.05 1k1d h ALA 245 Ca 0.58 -0.21 0.12 0.00 0.00 0.00 0.00 54.91 55.40 1k1d h ALA 245 Cb 1.20 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.86 1k1d h ALA 245 CO -0.72 -0.09 0.51 0.28 0.00 0.00 0.00 179.25 179.23 1k1d h VAL 246 N -0.04 0.84 0.19 0.00 2.07 -0.10 -1.93 116.25 117.28 1k1d h VAL 246 Ca 0.04 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 1k1d h VAL 246 Cb 0.42 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1k1d h VAL 246 CO 0.01 0.14 -0.09 -0.08 0.02 0.00 0.00 177.57 177.57 1k1d h GLU 247 N 0.78 -0.25 -0.53 1.57 4.81 -0.46 0.34 114.58 120.84 1k1d h GLU 247 Ca 0.45 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.78 1k1d h GLU 247 Cb 0.53 0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.90 1k1d h GLU 247 CO -0.30 -0.17 0.18 0.87 -0.73 0.00 0.00 179.01 178.86 1k1d h LYS 248 N -0.26 0.34 -0.19 1.92 1.79 -0.90 0.20 116.57 119.48 1k1d h LYS 248 Ca -0.02 -0.02 -0.05 0.00 -2.18 0.00 0.00 60.65 58.38 1k1d h LYS 248 Cb 0.20 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.76 1k1d h LYS 248 CO 0.04 0.23 -0.09 0.82 -1.08 0.00 0.00 179.45 179.36 1k1d h ILE 249 N 0.35 1.17 -0.18 1.86 2.04 -1.10 -1.57 117.51 120.09 1k1d h ILE 249 Ca 0.26 -0.74 -0.03 0.00 1.00 0.00 0.00 64.86 65.35 1k1d h ILE 249 Cb 0.31 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 1k1d h ILE 249 CO -0.28 0.24 -0.02 0.00 0.00 0.00 0.00 178.15 178.09 1k1d h ALA 250 N 1.63 0.24 -0.13 1.87 0.00 0.94 -2.29 119.26 121.53 1k1d h ALA 250 Ca 0.06 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.78 1k1d h ALA 250 Cb 0.34 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1k1d h ALA 250 CO 0.02 -0.02 -0.07 0.93 0.00 0.00 0.00 179.25 180.11 1k1d h GLU 251 N 0.06 -0.05 -0.05 0.00 5.08 -0.71 -1.40 114.58 117.51 1k1d h GLU 251 Ca 0.05 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.44 1k1d h GLU 251 Cb 0.42 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.63 1k1d h GLU 251 CO 0.01 -0.03 -0.46 0.00 -1.00 0.00 0.00 179.01 177.52 1k1d h ALA 252 N 1.07 -0.75 0.00 3.43 0.00 -1.22 -0.80 119.26 120.99 1k1d h ALA 252 Ca 0.07 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1k1d h ALA 252 Cb 0.17 0.84 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1k1d h ALA 252 CO -0.17 -1.00 -0.01 0.00 0.00 0.00 0.00 179.25 178.06 1k1d h ARG 253 N -0.58 0.00 -0.46 0.00 3.08 -1.22 -0.90 114.38 114.29 1k1d h ARG 253 Ca 0.04 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.99 1k1d h ARG 253 Cb 0.67 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 1k1d h ARG 253 CO -0.36 0.01 -0.12 -0.91 -1.07 0.00 0.00 179.97 177.52 1k1d h ASN 254 N 0.00 0.91 0.00 7.04 2.35 -0.04 -2.35 115.58 123.49 1k1d h ASN 254 Ca -0.00 -0.37 0.00 0.00 -0.55 0.00 0.00 56.30 55.38 1k1d h ASN 254 Cb 0.04 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.16 1k1d h ASN 254 CO 0.00 1.07 0.00 0.29 -1.65 0.00 0.00 177.43 177.14 1k1d n LYS 255 N -4.23 0.64 -0.83 0.81 5.02 -0.39 -4.80 118.16 114.38 1k1d n LYS 255 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1k1d n LYS 255 Cb 0.39 -1.19 0.00 0.00 -0.02 0.00 0.00 35.03 34.22 1k1d n LYS 255 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1k1d n GLY 256 N 0.20 1.33 3.74 0.72 0.00 -0.89 -4.99 105.19 105.30 1k1d n GLY 256 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1k1d n GLY 256 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k1d n LEU 257 N 0.00 5.52 -3.85 0.99 4.77 -0.92 -4.88 117.00 118.63 1k1d n LEU 257 Ca 0.00 0.96 -0.42 0.00 -0.03 0.00 0.00 56.01 56.52 1k1d n LEU 257 Cb 0.00 -1.57 0.00 0.00 -2.33 0.00 0.00 43.42 39.52 1k1d n LEU 257 CO 0.00 -0.65 2.03 -0.67 -1.33 0.00 0.00 177.39 176.77 1k1d n ASP 258 N -1.06 4.95 -4.55 -1.43 -0.08 -1.26 -4.29 116.55 108.83 1k1d n ASP 258 Ca 0.11 -3.08 -0.32 0.00 -1.51 0.00 0.00 54.79 49.99 1k1d n ASP 258 Cb 0.45 -1.50 -0.11 0.00 2.34 0.00 0.00 41.12 42.30 1k1d n ASP 258 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1k1d s VAL 259 N 0.69 3.39 0.06 5.18 1.01 -1.26 -1.43 120.40 128.04 1k1d s VAL 259 Ca 0.40 -0.87 0.04 0.00 0.00 0.00 0.00 61.98 61.56 1k1d s VAL 259 Cb 0.10 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 1k1d s VAL 259 CO -0.01 0.40 -0.13 0.26 0.00 0.00 0.00 175.10 175.62 1k1d s TRP 260 N -0.96 1.09 0.07 5.22 0.52 -0.05 -4.82 118.94 120.02 1k1d s TRP 260 Ca 0.16 -0.46 0.08 0.00 0.02 0.00 0.00 56.10 55.91 1k1d s TRP 260 Cb -0.11 -0.62 -0.03 0.00 -1.15 0.00 0.00 33.47 31.56 1k1d s TRP 260 CO 0.06 0.02 -0.22 0.20 0.02 0.00 0.00 176.95 177.04 1k1d s GLY 261 N -1.63 1.22 0.05 0.98 0.00 -1.26 0.38 107.32 107.06 1k1d s GLY 261 Ca -0.03 -1.17 0.02 0.00 0.00 0.00 0.00 44.72 43.54 1k1d s GLY 261 CO 0.02 -1.13 -0.08 1.85 0.00 0.00 0.00 173.10 173.76 1k1d s GLU 262 N -1.51 0.56 0.35 2.90 2.12 -0.61 -1.79 118.70 120.73 1k1d s GLU 262 Ca 0.08 -0.78 0.05 0.00 0.36 0.00 0.00 54.97 54.68 1k1d s GLU 262 Cb -0.09 -0.34 -0.03 0.00 0.26 0.00 0.00 34.13 33.93 1k1d s GLU 262 CO 0.03 0.06 0.19 0.99 -0.54 0.00 0.00 175.26 175.99 1k1d s THR 263 N -1.40 0.30 0.03 -1.70 2.01 -0.58 0.17 115.64 114.47 1k1d s THR 263 Ca -0.09 -2.00 0.02 0.00 0.31 0.00 0.00 61.69 59.93 1k1d s THR 263 Cb -0.10 -2.43 -0.02 0.00 0.01 0.00 0.00 72.50 69.96 1k1d s THR 263 CO 0.01 0.00 -0.06 0.00 -0.69 0.00 0.00 174.62 173.87 1k1d h PRO 265 N 4.96 0.00 -1.07 0.00 0.13 -1.89 -0.65 132.00 133.48 1k1d h PRO 265 Ca -0.33 -0.00 0.30 0.00 -0.87 0.00 0.00 66.00 65.10 1k1d h PRO 265 Cb 1.20 -0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.28 1k1d h PRO 265 CO 0.43 0.00 0.75 -0.56 -0.23 0.00 0.00 178.00 178.40 1k1d h GLN 266 N 0.00 0.10 0.00 0.86 -0.00 -1.92 0.67 115.11 114.82 1k1d h GLN 266 Ca 0.40 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 59.04 1k1d h GLN 266 Cb 0.61 -0.02 0.00 0.00 -0.00 0.00 0.00 27.48 28.07 1k1d h GLN 266 CO -0.85 0.06 -0.62 1.88 -0.00 0.00 0.00 178.83 179.30 1k1d h TYR 267 N 0.10 0.00 0.04 0.06 -1.99 -1.38 -1.58 116.97 112.22 1k1d h TYR 267 Ca 0.53 0.00 -0.30 0.00 2.00 0.00 0.00 58.73 60.97 1k1d h TYR 267 Cb 1.93 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 40.62 1k1d h TYR 267 CO -0.00 0.00 -1.67 1.25 -0.00 0.00 0.00 178.16 177.74 1k1d h LEU 268 N 0.00 0.12 0.00 3.88 5.85 0.37 -3.42 115.31 122.11 1k1d h LEU 268 Ca 0.00 -0.23 -0.17 0.00 0.84 0.00 0.00 57.88 58.32 1k1d h LEU 268 Cb 0.83 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.80 1k1d h LEU 268 CO 0.00 1.20 -1.60 0.52 -0.34 0.00 0.00 178.44 178.22 1k1d n VAL 269 N -3.20 0.60 -2.32 1.05 0.31 0.46 -4.88 118.33 110.36 1k1d n VAL 269 Ca -0.18 -0.20 -0.25 0.00 -0.01 0.00 0.00 64.34 63.70 1k1d n VAL 269 Cb 1.04 -1.15 0.08 0.00 -0.91 0.00 0.00 33.84 32.90 1k1d n VAL 269 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1k1d s LEU 270 N -5.97 2.92 0.33 7.52 1.43 -0.59 -5.08 118.68 119.24 1k1d s LEU 270 Ca -0.15 0.21 -0.10 0.00 -1.03 0.00 0.00 54.13 53.06 1k1d s LEU 270 Cb 0.04 -2.79 0.02 0.00 0.03 0.00 0.00 46.19 43.49 1k1d s LEU 270 CO 0.22 -1.67 0.58 1.51 0.23 0.00 0.00 176.35 177.22 1k1d s ASP 271 N -4.57 0.32 0.31 2.29 1.47 -1.26 -4.63 116.67 110.60 1k1d s ASP 271 Ca 0.62 -1.19 0.08 0.00 1.18 0.00 0.00 52.55 53.24 1k1d s ASP 271 Cb -0.09 0.70 0.88 0.00 -0.34 0.00 0.00 42.92 44.07 1k1d s ASP 271 CO 0.44 -1.37 1.67 -0.61 0.68 0.00 0.00 175.17 175.99 1k1d h GLN 272 N 2.11 0.33 -0.88 2.11 4.15 -0.37 -2.49 115.11 120.08 1k1d h GLN 272 Ca -0.28 -0.02 0.19 0.00 0.77 0.00 0.00 58.65 59.31 1k1d h GLN 272 Cb 1.25 -0.08 -0.11 0.00 0.21 0.00 0.00 27.48 28.75 1k1d h GLN 272 CO 0.37 0.22 0.41 0.66 -1.93 0.00 0.00 178.83 178.57 1k1d h SER 273 N 0.34 0.41 0.00 -0.69 4.64 -1.92 -0.10 113.55 116.24 1k1d h SER 273 Ca 0.64 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 62.08 1k1d h SER 273 Cb 1.33 0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.50 1k1d h SER 273 CO -0.59 0.09 0.45 1.88 -0.87 0.00 0.00 176.83 177.80 1k1d h TYR 274 N 0.49 0.00 0.00 4.77 -1.99 -1.83 0.44 116.97 118.86 1k1d h TYR 274 Ca 0.52 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.25 1k1d h TYR 274 Cb 0.89 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.62 1k1d h TYR 274 CO -0.12 0.00 -0.06 -0.07 -0.00 0.00 0.00 178.16 177.92 1k1d h LEU 275 N 0.00 0.00 0.00 3.88 3.38 -1.21 -3.24 115.31 118.12 1k1d h LEU 275 Ca 0.00 -0.02 -0.31 0.00 0.09 0.00 0.00 57.88 57.64 1k1d h LEU 275 Cb 0.91 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.60 1k1d h LEU 275 CO 0.00 0.01 -1.95 -0.62 0.09 0.00 0.00 178.44 175.97 1k1d n GLU 276 N -2.39 0.65 -1.89 1.13 1.02 0.15 -3.45 120.64 115.87 1k1d n GLU 276 Ca 0.05 0.18 -0.31 0.00 -0.02 0.00 0.00 57.16 57.07 1k1d n GLU 276 Cb 0.45 -1.69 -0.04 0.00 -0.02 0.00 0.00 31.44 30.13 1k1d n GLU 276 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1k1d s LYS 277 N -2.57 2.35 -0.11 3.49 2.20 -1.08 -4.62 119.74 119.40 1k1d s LYS 277 Ca -0.07 0.45 -0.33 0.00 -0.36 0.00 0.00 55.97 55.66 1k1d s LYS 277 Cb 0.07 -4.70 0.14 0.00 -1.51 0.00 0.00 37.83 31.84 1k1d s LYS 277 CO 0.83 -3.30 1.34 -1.25 -0.36 0.00 0.00 175.35 172.62 1k1d s PRO 278 N 7.53 0.20 4.53 4.03 0.04 -1.26 -1.94 135.00 148.13 1k1d s PRO 278 Ca 0.77 -0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.71 1k1d s PRO 278 Cb -0.12 0.07 0.00 0.00 0.04 0.00 0.00 34.50 34.50 1k1d s PRO 278 CO 0.13 -0.09 0.00 0.09 0.04 0.00 0.00 177.00 177.17 1k1d n ASN 279 N -0.36 0.00 0.00 6.66 3.02 -1.26 -1.00 115.26 122.31 1k1d n ASN 279 Ca -0.06 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 1k1d n ASN 279 Cb 0.62 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.79 1k1d n ASN 279 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1k1d n PHE 280 N 0.00 0.00 -0.42 3.10 7.35 -1.26 -4.84 117.46 121.40 1k1d n PHE 280 Ca 0.00 0.00 0.38 0.00 -0.76 0.00 0.00 57.45 57.07 1k1d n PHE 280 Cb 0.00 0.00 0.74 0.00 0.35 0.00 0.00 39.48 40.57 1k1d n PHE 280 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 1k1d h GLU 281 N 0.00 0.04 -0.62 -4.13 4.39 -1.22 -1.40 114.58 111.63 1k1d h GLU 281 Ca 0.00 -0.00 0.12 0.00 0.34 0.00 0.00 59.36 59.82 1k1d h GLU 281 Cb 0.43 -0.01 -0.12 0.00 -0.10 0.00 0.00 28.75 28.95 1k1d h GLU 281 CO 0.00 0.02 -0.19 0.78 -1.16 0.00 0.00 179.01 178.46 1k1d h GLY 282 N 0.04 0.35 0.56 -3.84 0.00 -1.56 -0.32 103.07 98.30 1k1d h GLY 282 Ca 0.67 0.25 0.02 0.00 0.00 0.00 0.00 47.33 48.27 1k1d h GLY 282 CO -0.06 -0.24 0.71 0.00 0.00 0.00 0.00 176.54 176.95 1k1d h ALA 283 N 1.51 1.76 0.00 3.60 0.00 -1.53 0.40 119.26 125.00 1k1d h ALA 283 Ca 0.29 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 1k1d h ALA 283 Cb 0.48 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1k1d h ALA 283 CO -0.66 -0.74 -0.18 0.87 0.00 0.00 0.00 179.25 178.55 1k1d h LYS 284 N 0.00 0.00 -0.46 0.00 1.57 -1.25 -2.82 116.57 113.62 1k1d h LYS 284 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1k1d h LYS 284 Cb 1.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.75 1k1d h LYS 284 CO -0.00 0.18 0.00 0.66 -0.57 0.00 0.00 179.45 179.72 1k1d n TYR 285 N -3.69 1.13 -2.83 -1.35 4.01 0.14 -4.88 117.16 109.68 1k1d n TYR 285 Ca -0.02 -0.67 -0.42 0.00 -0.16 0.00 0.00 57.90 56.63 1k1d n TYR 285 Cb 0.30 -0.23 -0.04 0.00 -0.31 0.00 0.00 39.34 39.05 1k1d n TYR 285 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1k1d s VAL 286 N -2.00 4.61 0.10 -0.72 1.01 -1.07 -4.74 120.40 117.59 1k1d s VAL 286 Ca 0.42 1.17 -0.25 0.00 0.00 0.00 0.00 61.98 63.32 1k1d s VAL 286 Cb 0.29 -4.31 0.08 0.00 0.00 0.00 0.00 36.38 32.44 1k1d s VAL 286 CO 0.17 -0.51 0.69 -1.66 0.00 0.00 0.00 175.10 173.80 1k1d s TRP 287 N 3.40 -0.49 -0.05 5.22 -2.14 -1.26 -1.64 118.94 121.99 1k1d s TRP 287 Ca 0.37 0.34 0.06 0.00 2.66 0.00 0.00 56.10 59.53 1k1d s TRP 287 Cb -0.12 0.54 -0.02 0.00 -3.10 0.00 0.00 33.47 30.77 1k1d s TRP 287 CO 0.18 -0.74 -0.21 -1.12 -2.66 0.00 0.00 176.95 172.39 1k1d s SER 288 N -2.56 3.40 0.75 -2.66 0.01 -1.26 -2.89 113.70 108.49 1k1d s SER 288 Ca 0.01 -0.39 -0.13 0.00 1.31 0.00 0.00 55.95 56.75 1k1d s SER 288 Cb -0.01 -0.71 0.05 0.00 0.21 0.00 0.00 66.02 65.56 1k1d s SER 288 CO -0.10 0.30 1.14 -2.84 0.41 0.00 0.00 173.24 172.14 1k1d s PRO 289 N -0.45 2.16 0.68 12.44 0.02 -1.26 -5.03 135.00 143.55 1k1d s PRO 289 Ca 0.05 1.46 -0.14 0.00 0.02 0.00 0.00 61.00 62.39 1k1d s PRO 289 Cb -0.12 -1.86 0.01 0.00 0.02 0.00 0.00 34.50 32.55 1k1d s PRO 289 CO 0.01 -1.76 1.11 -1.25 -0.33 0.00 0.00 177.00 174.78 1k1d s PRO 290 N -4.36 2.70 0.40 5.54 0.04 -1.14 -4.97 135.00 133.21 1k1d s PRO 290 Ca 0.67 1.36 -0.27 0.00 0.04 0.00 0.00 61.00 62.80 1k1d s PRO 290 Cb -0.22 -1.94 -0.10 0.00 0.04 0.00 0.00 34.50 32.28 1k1d s PRO 290 CO 0.49 -1.32 1.46 -0.51 0.04 0.00 0.00 177.00 177.16 1k1d s LEU 291 N -5.05 4.24 0.00 -3.56 1.43 -1.26 -4.98 118.68 109.50 1k1d s LEU 291 Ca 0.66 3.00 0.02 0.00 -1.03 0.00 0.00 54.13 56.78 1k1d s LEU 291 Cb -0.20 -3.77 0.02 0.00 0.03 0.00 0.00 46.19 42.27 1k1d s LEU 291 CO 0.44 -0.98 0.14 0.54 0.23 0.00 0.00 176.35 176.72 1k1d n ARG 292 N 0.22 1.10 -2.29 1.70 5.12 -1.26 -3.98 116.66 117.27 1k1d n ARG 292 Ca 0.02 -0.74 -0.41 0.00 -1.93 0.00 0.00 57.85 54.79 1k1d n ARG 292 Cb 0.40 0.01 -0.03 0.00 -1.16 0.00 0.00 32.46 31.68 1k1d n ARG 292 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1k1d s GLU 293 N -2.56 4.47 0.21 5.56 2.02 -1.26 0.21 118.70 127.36 1k1d s GLU 293 Ca 0.11 2.00 0.11 0.00 0.02 0.00 0.00 54.97 57.20 1k1d s GLU 293 Cb -0.01 -3.17 0.74 0.00 0.10 0.00 0.00 34.13 31.80 1k1d s GLU 293 CO 0.07 -0.07 0.94 1.17 0.02 0.00 0.00 175.26 177.38 1k1d n LYS 294 N 1.67 -0.04 0.32 1.61 3.00 -1.26 -1.19 118.16 122.26 1k1d n LYS 294 Ca 0.02 0.83 0.19 0.00 -0.00 0.00 0.00 58.31 59.35 1k1d n LYS 294 Cb 0.43 -1.46 1.07 0.00 0.00 0.00 0.00 35.03 35.07 1k1d n LYS 294 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.40 177.51 1k1d h TRP 295 N 0.00 0.00 0.00 5.64 5.08 -2.00 -2.31 115.95 122.36 1k1d h TRP 295 Ca 0.48 0.00 -0.09 0.00 1.08 0.00 0.00 58.89 60.36 1k1d h TRP 295 Cb 1.23 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.38 1k1d h TRP 295 CO -0.06 0.01 -0.43 0.45 -1.28 0.00 0.00 178.44 177.13 1k1d h HIS 296 N 0.00 0.00 -1.01 0.12 3.86 -1.52 -3.14 115.15 113.46 1k1d h HIS 296 Ca -0.00 0.00 0.24 0.00 -1.16 0.00 0.00 60.37 59.45 1k1d h HIS 296 Cb 0.03 0.00 -0.12 0.00 1.06 0.00 0.00 27.41 28.38 1k1d h HIS 296 CO 0.00 0.43 0.61 1.96 0.86 0.00 0.00 177.93 181.79 1k1d h GLN 297 N 0.00 0.56 0.82 2.45 4.20 -1.60 -0.52 115.11 121.01 1k1d h GLN 297 Ca -0.00 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 1k1d h GLN 297 Cb 0.79 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.44 1k1d h GLN 297 CO 0.06 0.37 -0.42 0.93 -0.67 0.00 0.00 178.83 179.09 1k1d h GLU 298 N 0.58 -1.10 -0.75 1.46 5.08 -1.75 -0.71 114.58 117.39 1k1d h GLU 298 Ca 0.63 0.07 0.17 0.00 -1.00 0.00 0.00 59.36 59.23 1k1d h GLU 298 Cb 1.23 0.25 -0.13 0.00 0.50 0.00 0.00 28.75 30.59 1k1d h GLU 298 CO -0.44 -0.73 -0.04 0.28 -1.00 0.00 0.00 179.01 177.08 1k1d h VAL 299 N -1.14 0.32 0.30 3.13 2.07 -1.31 0.30 116.25 119.91 1k1d h VAL 299 Ca -0.11 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 1k1d h VAL 299 Cb 0.89 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1k1d h VAL 299 CO 0.16 0.01 -0.24 -0.07 0.02 0.00 0.00 177.57 177.46 1k1d h LEU 300 N 0.07 -0.62 -0.48 2.57 3.38 -0.86 0.49 115.31 119.86 1k1d h LEU 300 Ca 0.40 0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.50 1k1d h LEU 300 Cb 0.69 0.20 -0.07 0.00 0.09 0.00 0.00 40.66 41.58 1k1d h LEU 300 CO -0.69 -0.36 0.09 -0.50 0.09 0.00 0.00 178.44 177.07 1k1d h TRP 301 N -0.55 0.14 -0.90 1.13 4.06 0.75 0.12 115.95 120.70 1k1d h TRP 301 Ca -0.02 0.03 0.02 0.00 2.06 0.00 0.00 58.89 60.98 1k1d h TRP 301 Cb 0.48 0.01 -0.05 0.00 -1.00 0.00 0.00 29.16 28.60 1k1d h TRP 301 CO -0.14 -0.01 0.59 -0.91 -3.56 0.00 0.00 178.44 174.42 1k1d h ASN 302 N 0.22 1.02 -0.68 -3.49 2.35 -0.30 0.51 115.58 115.21 1k1d h ASN 302 Ca 0.24 -0.02 0.02 0.00 -0.55 0.00 0.00 56.30 55.99 1k1d h ASN 302 Cb 0.32 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.40 1k1d h ASN 302 CO -0.32 0.73 0.44 0.00 -1.65 0.00 0.00 177.43 176.63 1k1d h ALA 303 N 1.34 0.88 -0.62 -0.83 0.00 0.46 0.54 119.26 121.03 1k1d h ALA 303 Ca 0.34 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.12 1k1d h ALA 303 Cb -0.10 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 1k1d h ALA 303 CO -0.08 0.24 0.01 1.25 0.00 0.00 0.00 179.25 180.66 1k1d h LEU 304 N 0.87 1.07 0.16 0.00 5.85 0.29 0.38 115.31 123.92 1k1d h LEU 304 Ca 0.27 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 1k1d h LEU 304 Cb -0.03 -0.29 0.00 0.00 0.37 0.00 0.00 40.66 40.71 1k1d h LEU 304 CO -0.09 1.11 -0.08 0.50 -0.34 0.00 0.00 178.44 179.54 1k1d h LYS 305 N 1.00 -0.21 -0.00 1.25 3.64 0.11 -3.26 116.57 119.10 1k1d h LYS 305 Ca 0.18 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1k1d h LYS 305 Cb 0.55 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1k1d h LYS 305 CO 0.03 0.05 -0.29 0.09 -2.27 0.00 0.00 179.45 177.06 1k1d n ASN 306 N -5.08 0.56 0.00 4.20 3.02 0.18 -4.96 115.26 113.18 1k1d n ASN 306 Ca -0.09 -0.38 0.00 0.00 -0.03 0.00 0.00 54.58 54.08 1k1d n ASN 306 Cb 0.19 0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.42 1k1d n ASN 306 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k1d n GLY 307 N 1.41 0.51 0.38 7.41 0.00 0.11 -4.96 105.19 110.05 1k1d n GLY 307 Ca 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.11 1k1d n GLY 307 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1k1d h GLN 308 N 3.62 1.28 -6.21 1.61 1.08 -1.05 -3.39 115.11 112.04 1k1d h GLN 308 Ca 0.00 -0.08 -0.69 0.00 -1.45 0.00 0.00 58.65 56.44 1k1d h GLN 308 Cb 0.00 -0.29 -0.20 0.00 -0.05 0.00 0.00 27.48 26.94 1k1d h GLN 308 CO 0.00 0.84 -0.72 -0.51 -0.95 0.00 0.00 178.83 177.50 1k1d s LEU 309 N -10.13 3.04 0.00 1.46 1.43 -0.95 -4.39 118.68 109.13 1k1d s LEU 309 Ca -0.13 -0.08 0.00 0.00 -1.03 0.00 0.00 54.13 52.89 1k1d s LEU 309 Cb 0.19 -1.66 0.00 0.00 0.03 0.00 0.00 46.19 44.75 1k1d s LEU 309 CO 0.82 0.35 0.27 0.00 0.23 0.00 0.00 176.35 178.02 1k1d n GLN 310 N 2.19 -0.24 -3.97 1.70 0.00 -0.74 -4.21 117.38 112.10 1k1d n GLN 310 Ca -0.17 -0.27 -0.09 0.00 0.00 0.00 0.00 57.00 56.46 1k1d n GLN 310 Cb 0.53 -0.75 -0.10 0.00 0.00 0.00 0.00 30.24 29.91 1k1d n GLN 310 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 1k1d s THR 311 N -0.04 0.12 -0.17 -0.39 -4.23 -1.14 -4.50 115.64 105.30 1k1d s THR 311 Ca 0.00 -1.03 0.01 0.00 -1.18 0.00 0.00 61.69 59.49 1k1d s THR 311 Cb 0.00 -0.54 0.01 0.00 1.34 0.00 0.00 72.50 73.31 1k1d s THR 311 CO 0.00 -0.57 -0.19 -0.22 -0.54 0.00 0.00 174.62 173.10 1k1d s LEU 312 N -1.74 2.18 0.35 4.79 2.96 -0.57 -1.53 118.68 125.13 1k1d s LEU 312 Ca -0.11 -0.61 0.09 0.00 -0.22 0.00 0.00 54.13 53.27 1k1d s LEU 312 Cb -0.06 -1.49 -0.06 0.00 0.50 0.00 0.00 46.19 45.08 1k1d s LEU 312 CO -0.02 0.03 -0.04 -0.83 -1.32 0.00 0.00 176.35 174.16 1k1d s GLY 313 N 1.14 2.19 -0.16 7.98 0.00 0.19 -4.74 107.32 113.92 1k1d s GLY 313 Ca 0.01 -2.07 -0.08 0.00 0.00 0.00 0.00 44.72 42.57 1k1d s GLY 313 CO -0.09 -1.99 0.21 -1.14 0.00 0.00 0.00 173.10 170.09 1k1d n SER 314 N -0.88 2.05 -2.06 1.64 3.41 -1.25 -3.82 113.62 112.71 1k1d n SER 314 Ca -0.05 0.20 -0.13 0.00 -0.26 0.00 0.00 58.87 58.63 1k1d n SER 314 Cb 0.64 -0.81 0.03 0.00 -0.26 0.00 0.00 64.21 63.81 1k1d n SER 314 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1k1d n ASP 315 N -3.65 -4.33 -4.68 4.04 2.03 -0.02 -4.80 116.55 105.13 1k1d n ASP 315 Ca -0.35 -0.25 -0.49 0.00 0.52 0.00 0.00 54.79 54.22 1k1d n ASP 315 Cb 0.97 -3.03 -0.05 0.00 -0.72 0.00 0.00 41.12 38.29 1k1d n ASP 315 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 1k1d n GLN 316 N -2.85 2.08 -2.75 -0.67 -0.06 -1.11 -4.33 117.38 107.69 1k1d n GLN 316 Ca -0.02 0.76 -0.05 0.00 -2.00 0.00 0.00 57.00 55.68 1k1d n GLN 316 Cb 0.55 -2.59 0.03 0.00 -4.06 0.00 0.00 30.24 24.17 1k1d n GLN 316 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1k1d s SER 318 N -0.12 6.88 -0.16 0.00 1.04 -1.25 -2.12 113.70 117.98 1k1d s SER 318 Ca 0.30 2.29 -0.07 0.00 0.48 0.00 0.00 55.95 58.96 1k1d s SER 318 Cb 0.10 -2.62 0.07 0.00 0.10 0.00 0.00 66.02 63.67 1k1d s SER 318 CO -0.13 -0.42 0.34 -0.36 0.98 0.00 0.00 173.24 173.66 1k1d s PHE 319 N -1.34 -0.56 0.14 5.02 0.08 -1.26 -0.75 117.98 119.31 1k1d s PHE 319 Ca 0.51 1.19 -0.33 0.00 0.12 0.00 0.00 56.93 58.42 1k1d s PHE 319 Cb -0.30 0.16 -0.12 0.00 -0.57 0.00 0.00 43.02 42.18 1k1d s PHE 319 CO 0.39 -0.37 1.71 -0.25 -0.10 0.00 0.00 175.22 176.61 1k1d n ASP 320 N 4.87 3.63 -0.02 1.36 8.00 -1.26 -4.62 116.55 128.50 1k1d n ASP 320 Ca -0.15 1.04 0.11 0.00 0.71 0.00 0.00 54.79 56.50 1k1d n ASP 320 Cb 0.52 -1.49 0.52 0.00 -0.02 0.00 0.00 41.12 40.64 1k1d n ASP 320 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1k1d h PHE 321 N 7.14 0.36 0.00 1.24 3.57 -1.95 -0.71 116.94 126.59 1k1d h PHE 321 Ca -0.45 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.06 1k1d h PHE 321 Cb 1.23 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.85 1k1d h PHE 321 CO 0.69 0.19 0.00 1.63 -2.23 0.00 0.00 178.31 178.59 1k1d n LYS 322 N -4.47 0.00 0.19 1.11 5.02 -1.26 -3.27 118.16 115.48 1k1d n LYS 322 Ca 0.07 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.24 1k1d n LYS 322 Cb 0.31 -0.50 -0.07 0.00 -0.02 0.00 0.00 35.03 34.75 1k1d n LYS 322 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1k1d h GLY 323 N 0.00 -0.55 0.00 0.72 0.00 -1.98 -3.29 103.07 97.97 1k1d h GLY 323 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1k1d h GLY 323 CO 0.00 -0.20 0.00 -1.06 0.00 0.00 0.00 176.54 175.28 1k1d n GLN 324 N -5.16 0.00 -0.39 4.80 6.02 -1.00 -3.39 117.38 118.26 1k1d n GLN 324 Ca -0.09 0.34 0.32 0.00 -0.01 0.00 0.00 57.00 57.55 1k1d n GLN 324 Cb 0.28 -1.29 0.61 0.00 1.02 0.00 0.00 30.24 30.87 1k1d n GLN 324 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1k1d h LYS 325 N 0.00 0.19 0.00 -1.09 1.79 -1.26 0.38 116.57 116.58 1k1d h LYS 325 Ca 0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1k1d h LYS 325 Cb 0.00 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.61 1k1d h LYS 325 CO 0.00 0.13 0.00 0.39 -1.08 0.00 0.00 179.45 178.89 1k1d n GLU 326 N -4.58 0.16 0.08 3.15 1.02 -1.20 -2.91 120.64 116.36 1k1d n GLU 326 Ca 0.31 0.44 0.21 0.00 -0.02 0.00 0.00 57.16 58.10 1k1d n GLU 326 Cb 1.21 -1.83 0.74 0.00 -0.02 0.00 0.00 31.44 31.54 1k1d n GLU 326 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1k1d h LEU 327 N 0.00 0.00 -6.10 -4.62 3.38 -0.25 -2.61 115.31 105.11 1k1d h LEU 327 Ca 0.00 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.28 1k1d h LEU 327 Cb 0.28 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 40.67 1k1d h LEU 327 CO 0.00 0.00 0.03 0.61 0.09 0.00 0.00 178.44 179.17 1k1d n GLY 328 N -1.50 5.40 0.00 0.83 0.00 -1.15 -4.79 105.19 103.99 1k1d n GLY 328 Ca 0.08 -2.72 0.00 0.00 0.00 0.00 0.00 46.02 43.38 1k1d n GLY 328 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k1d n ARG 329 N 0.44 0.00 -0.04 1.61 5.12 -0.99 -3.92 116.66 118.88 1k1d n ARG 329 Ca 0.33 0.10 0.00 0.00 -1.93 0.00 0.00 57.85 56.36 1k1d n ARG 329 Cb 0.36 -0.83 0.02 0.00 -1.16 0.00 0.00 32.46 30.85 1k1d n ARG 329 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1k1d n GLY 330 N 1.05 1.23 2.94 -0.13 0.00 -1.26 -4.50 105.19 104.51 1k1d n GLY 330 Ca 0.00 -0.05 -0.08 0.00 0.00 0.00 0.00 46.02 45.90 1k1d n GLY 330 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1k1d s ASP 331 N -0.18 0.11 0.26 1.61 -1.08 -1.25 -4.80 116.67 111.34 1k1d s ASP 331 Ca 0.03 -0.00 -0.04 0.00 -0.52 0.00 0.00 52.55 52.02 1k1d s ASP 331 Cb 0.02 1.23 0.32 0.00 -1.46 0.00 0.00 42.92 43.02 1k1d s ASP 331 CO 0.01 -0.32 1.84 2.19 0.52 0.00 0.00 175.17 179.41 1k1d h PHE 332 N 8.15 1.04 0.00 -5.34 -0.00 -1.49 -1.71 116.94 117.60 1k1d h PHE 332 Ca -0.14 -0.06 0.00 0.00 -0.00 0.00 0.00 57.97 57.77 1k1d h PHE 332 Cb 1.14 -0.32 0.00 0.00 -0.00 0.00 0.00 35.95 36.77 1k1d h PHE 332 CO 0.19 0.78 0.04 0.25 -0.00 0.00 0.00 178.31 179.58 1k1d n THR 333 N -4.31 1.71 0.57 0.88 -2.24 -1.26 -0.38 114.28 109.25 1k1d n THR 333 Ca 0.06 0.54 0.11 0.00 -2.27 0.00 0.00 64.05 62.49 1k1d n THR 333 Cb 0.16 -1.54 0.15 0.00 -2.10 0.00 0.00 70.33 67.00 1k1d n THR 333 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1k1d n LYS 334 N -1.58 2.23 -2.72 -0.78 5.02 -0.64 -4.89 118.16 114.79 1k1d n LYS 334 Ca -0.00 -2.02 -0.42 0.00 -2.02 0.00 0.00 58.31 53.85 1k1d n LYS 334 Cb 0.04 -1.45 -0.03 0.00 -0.02 0.00 0.00 35.03 33.58 1k1d n LYS 334 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1k1d s ILE 335 N -1.60 4.80 0.02 -0.18 1.01 0.49 -3.10 121.20 122.64 1k1d s ILE 335 Ca 0.31 1.99 -0.30 0.00 0.00 0.00 0.00 60.65 62.64 1k1d s ILE 335 Cb 0.20 -4.29 -0.07 0.00 0.01 0.00 0.00 42.46 38.31 1k1d s ILE 335 CO 0.28 0.01 1.60 -2.16 0.00 0.00 0.00 174.94 174.67 1k1d s PRO 336 N 2.04 4.21 0.21 2.79 0.04 -1.26 -4.95 135.00 138.08 1k1d s PRO 336 Ca 0.47 2.22 -0.30 0.00 0.04 0.00 0.00 61.00 63.43 1k1d s PRO 336 Cb -0.18 -3.69 -0.09 0.00 0.04 0.00 0.00 34.50 30.58 1k1d s PRO 336 CO 0.17 -0.73 1.22 -0.80 0.04 0.00 0.00 177.00 176.90 1k1d s ASN 337 N 2.54 7.04 0.00 6.66 0.02 -1.26 -4.88 114.94 125.06 1k1d s ASN 337 Ca 0.72 2.31 0.00 0.00 -1.02 0.00 0.00 52.86 54.87 1k1d s ASN 337 Cb -0.36 -2.61 0.00 0.00 0.02 0.00 0.00 41.25 38.29 1k1d s ASN 337 CO 0.30 -0.39 0.00 0.61 0.02 0.00 0.00 177.10 177.65 1k1d n GLY 338 N 1.99 4.86 3.26 0.66 0.00 -0.65 -4.93 105.19 110.38 1k1d n GLY 338 Ca 0.04 -1.07 -0.20 0.00 0.00 0.00 0.00 46.02 44.79 1k1d n GLY 338 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1k1d s GLY 339 N 0.00 1.15 -0.92 -0.02 0.00 -0.90 -4.63 107.32 102.00 1k1d s GLY 339 Ca 0.00 -1.31 -0.24 0.00 0.00 0.00 0.00 44.72 43.17 1k1d s GLY 339 CO 0.00 -1.36 1.38 2.56 0.00 0.00 0.00 173.10 175.68 1k1d s PRO 340 N -2.54 3.45 0.00 2.90 0.04 -1.26 -1.63 135.00 135.96 1k1d s PRO 340 Ca 0.09 -0.85 0.00 0.00 0.04 0.00 0.00 61.00 60.29 1k1d s PRO 340 Cb -0.06 -4.95 0.00 0.00 0.04 0.00 0.00 34.50 29.53 1k1d s PRO 340 CO 0.04 -2.17 0.00 -0.89 0.04 0.00 0.00 177.00 174.01 1k1d n ILE 341 N 6.68 0.00 0.27 0.56 5.41 -1.26 -4.43 119.36 126.59 1k1d n ILE 341 Ca 0.23 -0.04 0.10 0.00 1.00 0.00 0.00 62.75 64.03 1k1d n ILE 341 Cb 0.50 0.41 0.52 0.00 -0.71 0.00 0.00 39.64 40.36 1k1d n ILE 341 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 176.55 176.26 1k1d h ILE 342 N 0.00 0.00 0.04 1.39 2.10 -1.88 -2.78 117.51 116.39 1k1d h ILE 342 Ca 0.00 0.00 -0.36 0.00 1.08 0.00 0.00 64.86 65.58 1k1d h ILE 342 Cb 0.00 0.42 -0.05 0.00 -1.09 0.00 0.00 36.82 36.10 1k1d h ILE 342 CO 0.00 0.00 -2.15 1.21 -1.08 0.00 0.00 178.15 176.13 1k1d n GLU 343 N -2.51 0.69 -0.16 2.19 2.13 -1.26 -4.17 120.64 117.55 1k1d n GLU 343 Ca -0.01 0.19 0.12 0.00 0.66 0.00 0.00 57.16 58.12 1k1d n GLU 343 Cb 0.47 -1.64 0.23 0.00 0.27 0.00 0.00 31.44 30.77 1k1d n GLU 343 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1k1d n ASP 344 N -3.21 3.21 -0.00 4.31 8.00 -1.06 -3.90 116.55 123.91 1k1d n ASP 344 Ca -0.33 -1.96 -0.02 0.00 0.71 0.00 0.00 54.79 53.19 1k1d n ASP 344 Cb 1.05 -0.22 -0.01 0.00 -0.02 0.00 0.00 41.12 41.92 1k1d n ASP 344 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1k1d h ARG 345 N 4.22 -0.06 0.04 -1.24 2.43 -1.76 -0.83 114.38 117.18 1k1d h ARG 345 Ca 0.00 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.20 1k1d h ARG 345 Cb 0.93 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.44 1k1d h ARG 345 CO 0.00 -0.04 -0.38 0.28 -1.51 0.00 0.00 179.97 178.32 1k1d h VAL 346 N -0.07 0.21 -0.45 0.20 2.07 -1.82 -2.81 116.25 113.60 1k1d h VAL 346 Ca 0.00 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.61 1k1d h VAL 346 Cb 0.08 0.21 -0.10 0.00 -1.52 0.00 0.00 31.29 29.97 1k1d h VAL 346 CO -0.05 0.00 -0.25 0.28 0.02 0.00 0.00 177.57 177.57 1k1d h SER 347 N -0.56 -0.84 -0.89 0.57 0.02 -1.73 -1.88 113.55 108.24 1k1d h SER 347 Ca 0.05 0.18 0.09 0.00 -0.84 0.00 0.00 61.79 61.26 1k1d h SER 347 Cb 0.62 0.43 -0.07 0.00 0.14 0.00 0.00 62.40 63.53 1k1d h SER 347 CO -0.27 -0.27 0.53 0.40 -1.14 0.00 0.00 176.83 176.08 1k1d h ILE 348 N -0.16 0.95 -0.54 3.27 2.04 -0.97 0.35 117.51 122.46 1k1d h ILE 348 Ca 0.21 -0.31 -0.09 0.00 1.00 0.00 0.00 64.86 65.67 1k1d h ILE 348 Cb 0.48 -0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 1k1d h ILE 348 CO -0.54 0.17 -0.00 0.25 0.00 0.00 0.00 178.15 178.02 1k1d h LEU 349 N 0.90 0.93 0.12 1.44 5.85 -1.11 0.54 115.31 123.97 1k1d h LEU 349 Ca 0.42 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 1k1d h LEU 349 Cb 0.34 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.12 1k1d h LEU 349 CO -0.23 1.01 -0.06 0.15 -0.34 0.00 0.00 178.44 178.97 1k1d h PHE 350 N 0.82 -0.15 0.22 1.25 3.57 -0.70 0.78 116.94 122.73 1k1d h PHE 350 Ca 0.15 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 1k1d h PHE 350 Cb 0.53 0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.32 1k1d h PHE 350 CO 0.04 -0.04 -0.11 1.03 -2.23 0.00 0.00 178.31 177.00 1k1d h SER 351 N -0.21 -0.25 0.05 0.41 0.87 -0.81 0.21 113.55 113.82 1k1d h SER 351 Ca -0.02 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.50 1k1d h SER 351 Cb 0.17 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 1k1d h SER 351 CO 0.03 -0.16 -0.14 -0.33 -0.53 0.00 0.00 176.83 175.70 1k1d h GLU 352 N -0.34 0.20 0.00 2.24 4.39 -0.01 -3.14 114.58 117.91 1k1d h GLU 352 Ca -0.03 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1k1d h GLU 352 Cb 0.23 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 1k1d h GLU 352 CO 0.05 0.35 0.00 0.41 -1.16 0.00 0.00 179.01 178.66 1k1d n GLY 353 N -0.89 0.71 0.00 -3.84 0.00 0.27 -4.28 105.19 97.16 1k1d n GLY 353 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1k1d n GLY 353 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1k1d n VAL 354 N -0.61 0.00 0.06 1.61 0.31 -0.67 -2.02 118.33 117.02 1k1d n VAL 354 Ca 0.00 1.39 0.20 0.00 -0.01 0.00 0.00 64.34 65.92 1k1d n VAL 354 Cb 0.00 -2.00 0.58 0.00 -0.91 0.00 0.00 33.84 31.51 1k1d n VAL 354 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1k1d h LYS 355 N 0.00 0.00 -0.32 5.55 1.79 -0.63 -1.66 116.57 121.31 1k1d h LYS 355 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1k1d h LYS 355 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1k1d h LYS 355 CO 0.00 0.00 0.00 1.63 -1.08 0.00 0.00 179.45 180.00 1k1d n LYS 356 N -3.29 2.21 0.00 3.15 5.02 -0.89 -4.99 118.16 119.36 1k1d n LYS 356 Ca 0.10 -2.02 0.00 0.00 -2.02 0.00 0.00 58.31 54.37 1k1d n LYS 356 Cb 0.91 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 34.52 1k1d n LYS 356 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1k1d n GLY 357 N 1.08 2.50 3.89 0.72 0.00 -0.62 -5.03 105.19 107.72 1k1d n GLY 357 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1k1d n GLY 357 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k1d s ARG 358 N -0.34 3.62 0.39 1.61 0.52 -0.86 -4.90 118.95 119.00 1k1d s ARG 358 Ca 0.00 0.41 0.00 0.00 -0.52 0.00 0.00 55.73 55.62 1k1d s ARG 358 Cb 0.00 -2.30 0.00 0.00 0.52 0.00 0.00 34.95 33.17 1k1d s ARG 358 CO 0.00 -0.26 0.00 -0.89 0.02 0.00 0.00 175.30 174.17 1k1d n ILE 359 N -2.16 0.00 -4.37 1.52 5.41 -1.26 -2.85 119.36 115.65 1k1d n ILE 359 Ca 0.02 0.35 -0.19 0.00 1.00 0.00 0.00 62.75 63.93 1k1d n ILE 359 Cb 0.55 -0.76 -0.10 0.00 -0.71 0.00 0.00 39.64 38.61 1k1d n ILE 359 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1k1d s THR 360 N -3.04 1.37 0.44 1.39 2.01 -1.26 -4.62 115.64 111.92 1k1d s THR 360 Ca 0.00 -2.09 0.12 0.00 0.31 0.00 0.00 61.69 60.03 1k1d s THR 360 Cb 0.00 -2.33 0.29 0.00 0.01 0.00 0.00 72.50 70.48 1k1d s THR 360 CO 0.00 -0.37 2.04 0.25 -0.69 0.00 0.00 174.62 175.85 1k1d h LEU 361 N 2.42 0.33 0.15 4.42 5.85 -1.92 0.30 115.31 126.85 1k1d h LEU 361 Ca -0.39 -0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.12 1k1d h LEU 361 Cb 1.22 -0.07 0.02 0.00 0.37 0.00 0.00 40.66 42.20 1k1d h LEU 361 CO 0.65 0.22 -0.91 0.78 -0.34 0.00 0.00 178.44 178.85 1k1d h ASN 362 N 0.38 0.55 -0.90 1.25 2.35 -1.86 -3.06 115.58 114.29 1k1d h ASN 362 Ca 0.17 -0.93 0.08 0.00 -0.55 0.00 0.00 56.30 55.07 1k1d h ASN 362 Cb 0.21 -0.18 -0.07 0.00 0.05 0.00 0.00 38.32 38.33 1k1d h ASN 362 CO -0.04 1.43 0.56 1.56 -1.65 0.00 0.00 177.43 179.29 1k1d h GLN 363 N -0.25 0.95 0.10 0.81 4.20 -1.65 -0.81 115.11 118.46 1k1d h GLN 363 Ca -0.16 -0.06 0.02 0.00 0.06 0.00 0.00 58.65 58.51 1k1d h GLN 363 Cb 1.71 -0.21 -0.05 0.00 0.30 0.00 0.00 27.48 29.22 1k1d h GLN 363 CO 0.17 0.63 -0.52 0.35 -0.67 0.00 0.00 178.83 178.79 1k1d h PHE 364 N 0.98 -1.50 -0.63 2.96 3.57 -0.47 0.62 116.94 122.47 1k1d h PHE 364 Ca 0.41 0.04 0.05 0.00 3.53 0.00 0.00 57.97 62.00 1k1d h PHE 364 Cb 0.26 0.64 -0.04 0.00 2.79 0.00 0.00 35.95 39.60 1k1d h PHE 364 CO -0.03 -0.59 0.41 0.28 -2.23 0.00 0.00 178.31 176.16 1k1d h VAL 365 N -0.73 1.03 0.13 1.41 2.07 -1.31 -1.48 116.25 117.37 1k1d h VAL 365 Ca 0.00 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 1k1d h VAL 365 Cb 0.75 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1k1d h VAL 365 CO -0.30 0.12 -0.06 -0.78 0.02 0.00 0.00 177.57 176.57 1k1d h ASP 366 N 0.65 -0.15 0.10 0.57 3.58 0.01 -0.65 116.42 120.53 1k1d h ASP 366 Ca 0.26 -0.33 -0.01 0.00 0.42 0.00 0.00 57.03 57.37 1k1d h ASP 366 Cb 0.22 0.04 -0.00 0.00 1.72 0.00 0.00 39.33 41.30 1k1d h ASP 366 CO -0.08 0.28 -0.05 0.40 -2.88 0.00 0.00 179.24 176.91 1k1d h ILE 367 N -0.61 0.69 0.00 2.25 2.04 0.73 -2.33 117.51 120.28 1k1d h ILE 367 Ca -0.02 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.65 1k1d h ILE 367 Cb 0.47 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 1k1d h ILE 367 CO 0.03 0.05 -1.32 0.52 0.00 0.00 0.00 178.15 177.43 1k1d n VAL 368 N -3.99 0.00 0.00 1.67 0.31 -0.60 -1.51 118.33 114.21 1k1d n VAL 368 Ca -0.03 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 1k1d n VAL 368 Cb 0.14 0.50 0.00 0.00 -0.91 0.00 0.00 33.84 33.57 1k1d n VAL 368 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1k1d n SER 369 N -1.77 0.00 -0.03 4.52 2.88 -0.27 -1.25 113.62 117.70 1k1d n SER 369 Ca -0.00 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 1k1d n SER 369 Cb 0.35 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.78 1k1d n SER 369 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1k1d h THR 370 N 0.00 0.00 -0.97 2.46 2.02 -1.48 -0.68 112.91 114.26 1k1d h THR 370 Ca 0.00 0.00 0.32 0.00 0.77 0.00 0.00 66.41 67.50 1k1d h THR 370 Cb 0.00 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 66.25 1k1d h THR 370 CO 0.00 0.00 0.45 -0.09 0.37 0.00 0.00 175.52 176.25 1k1d h ARG 371 N -0.11 0.21 0.08 6.66 9.65 -1.69 0.15 114.38 129.34 1k1d h ARG 371 Ca 0.02 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1k1d h ARG 371 Cb 0.15 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 28.69 1k1d h ARG 371 CO -0.14 0.14 -0.04 0.82 2.80 0.00 0.00 179.97 183.55 1k1d h ILE 372 N 0.22 1.12 -0.92 1.20 2.04 -1.61 -1.56 117.51 118.00 1k1d h ILE 372 Ca 0.70 -0.77 0.17 0.00 1.00 0.00 0.00 64.86 65.96 1k1d h ILE 372 Cb 1.61 1.62 -0.10 0.00 -0.74 0.00 0.00 36.82 39.21 1k1d h ILE 372 CO -0.67 0.19 0.51 0.00 0.00 0.00 0.00 178.15 178.18 1k1d h ALA 373 N 0.42 1.44 0.54 1.87 0.00 0.75 -0.84 119.26 123.44 1k1d h ALA 373 Ca -0.01 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1k1d h ALA 373 Cb 0.39 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.15 1k1d h ALA 373 CO 0.02 -0.07 -0.26 0.87 0.00 0.00 0.00 179.25 179.81 1k1d h LYS 374 N 0.68 -0.69 -0.44 0.00 1.57 -1.00 0.43 116.57 117.12 1k1d h LYS 374 Ca 0.51 0.05 0.13 0.00 -1.87 0.00 0.00 60.65 59.47 1k1d h LYS 374 Cb 0.76 0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.21 1k1d h LYS 374 CO -0.38 -0.39 0.32 -0.07 -0.57 0.00 0.00 179.45 178.37 1k1d h LEU 375 N -1.03 0.00 -3.41 2.94 3.38 -0.81 -2.49 115.31 113.88 1k1d h LEU 375 Ca -0.07 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 1k1d h LEU 375 Cb 0.63 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.32 1k1d h LEU 375 CO 0.12 0.00 0.05 0.49 0.09 0.00 0.00 178.44 179.19 1k1d n PHE 376 N -4.40 1.39 -3.52 1.13 3.72 -0.36 -4.88 117.46 110.55 1k1d n PHE 376 Ca 0.08 -1.10 -0.19 0.00 -0.05 0.00 0.00 57.45 56.19 1k1d n PHE 376 Cb 0.52 -0.45 0.06 0.00 -0.94 0.00 0.00 39.48 38.67 1k1d n PHE 376 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1k1d n GLY 377 N -0.50 -0.50 0.00 1.37 0.00 -0.92 -4.41 105.19 100.23 1k1d n GLY 377 Ca 0.29 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.51 1k1d n GLY 377 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k1d n LEU 378 N -4.05 0.50 -4.81 0.99 4.77 0.15 -1.03 117.00 113.52 1k1d n LEU 378 Ca -0.25 -0.58 -0.39 0.00 -0.03 0.00 0.00 56.01 54.77 1k1d n LEU 378 Cb 0.66 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.69 1k1d n LEU 378 CO 0.64 0.12 0.24 0.12 -1.33 0.00 0.00 177.39 177.19 1k1d s PHE 379 N -0.16 3.78 -0.35 -1.77 2.19 -1.04 0.46 117.98 121.09 1k1d s PHE 379 Ca 0.00 1.22 0.09 0.00 0.33 0.00 0.00 56.93 58.57 1k1d s PHE 379 Cb 0.00 -2.47 0.69 0.00 -1.31 0.00 0.00 43.02 39.93 1k1d s PHE 379 CO 0.00 0.58 1.74 -0.35 1.83 0.00 0.00 175.22 179.01 1k1d n PRO 380 N 1.83 3.51 -0.20 10.12 -0.04 -1.26 -4.90 135.00 144.07 1k1d n PRO 380 Ca -0.11 -2.84 -0.09 0.00 -0.04 0.00 0.00 63.50 60.43 1k1d n PRO 380 Cb 0.51 -2.15 0.02 0.00 -0.04 0.00 0.00 33.50 31.83 1k1d n PRO 380 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1k1d h LYS 381 N 2.45 0.92 -5.44 0.54 3.64 -1.47 -3.39 116.57 113.83 1k1d h LYS 381 Ca 0.26 -0.25 -0.59 0.00 -1.27 0.00 0.00 60.65 58.81 1k1d h LYS 381 Cb 2.25 -0.11 -0.13 0.00 -0.41 0.00 0.00 32.23 33.83 1k1d h LYS 381 CO 0.71 0.88 -0.59 0.15 -2.27 0.00 0.00 179.45 178.33 1k1d s LYS 382 N -5.21 1.90 0.00 1.90 -0.14 0.17 -1.07 119.74 117.30 1k1d s LYS 382 Ca -0.12 -2.10 0.00 0.00 -1.36 0.00 0.00 55.97 52.39 1k1d s LYS 382 Cb 0.12 -1.35 0.00 0.00 -1.68 0.00 0.00 37.83 34.93 1k1d s LYS 382 CO 0.82 -0.15 0.00 0.41 -0.76 0.00 0.00 175.35 175.66 1k1d n GLY 383 N -0.92 0.84 3.58 -3.33 0.00 -1.26 -4.13 105.19 99.96 1k1d n GLY 383 Ca -0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 1k1d n GLY 383 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1k1d s THR 384 N -3.28 0.00 -0.72 2.61 -1.32 -1.26 -3.27 115.64 108.40 1k1d s THR 384 Ca 0.00 -0.34 -0.04 0.00 -1.21 0.00 0.00 61.69 60.10 1k1d s THR 384 Cb 0.00 -1.35 0.18 0.00 -1.51 0.00 0.00 72.50 69.82 1k1d s THR 384 CO 0.00 0.00 0.57 -0.63 -2.21 0.00 0.00 174.62 172.35 1k1d s ILE 385 N -3.73 4.14 0.01 5.08 1.01 -1.26 -4.81 121.20 121.63 1k1d s ILE 385 Ca 0.05 -3.11 -0.16 0.00 0.00 0.00 0.00 60.65 57.43 1k1d s ILE 385 Cb -0.03 -3.64 0.03 0.00 0.01 0.00 0.00 42.46 38.83 1k1d s ILE 385 CO -0.06 -0.95 0.33 -0.69 0.00 0.00 0.00 174.94 173.58 1k1d s VAL 386 N -0.34 0.06 -0.25 2.92 1.01 -1.26 -5.00 120.40 117.53 1k1d s VAL 386 Ca 0.20 -0.51 -0.41 0.00 0.00 0.00 0.00 61.98 61.26 1k1d s VAL 386 Cb -0.16 -0.75 -0.16 0.00 0.00 0.00 0.00 36.38 35.30 1k1d s VAL 386 CO -0.06 -0.28 1.65 0.52 0.00 0.00 0.00 175.10 176.93 1k1d n VAL 387 N 1.00 0.22 0.00 2.92 0.31 -1.26 -0.72 118.33 120.79 1k1d n VAL 387 Ca -0.20 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 1k1d n VAL 387 Cb 0.57 -1.05 0.00 0.00 -0.91 0.00 0.00 33.84 32.46 1k1d n VAL 387 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1k1d n GLY 388 N 3.87 2.21 3.80 2.92 0.00 -0.11 -4.99 105.19 112.89 1k1d n GLY 388 Ca 0.26 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1k1d n GLY 388 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1k1d s SER 389 N 0.29 5.42 0.57 1.61 0.01 0.10 -4.71 113.70 117.00 1k1d s SER 389 Ca 0.00 1.81 -0.21 0.00 1.31 0.00 0.00 55.95 58.86 1k1d s SER 389 Cb 0.00 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.66 1k1d s SER 389 CO 0.00 -1.41 1.36 -1.81 0.41 0.00 0.00 173.24 171.79 1k1d s ASP 390 N -3.02 5.10 -0.60 2.44 1.11 -0.23 -1.43 116.67 120.03 1k1d s ASP 390 Ca 0.63 2.77 -0.07 0.00 0.18 0.00 0.00 52.55 56.06 1k1d s ASP 390 Cb -0.17 -2.64 -0.19 0.00 1.07 0.00 0.00 42.92 41.00 1k1d s ASP 390 CO 0.44 -1.68 3.19 0.00 1.18 0.00 0.00 175.17 178.29 1k1d n ALA 391 N -1.21 6.47 -2.94 5.23 0.00 0.56 -4.65 120.51 123.97 1k1d n ALA 391 Ca 0.11 -2.34 -0.44 0.00 0.00 0.00 0.00 53.44 50.78 1k1d n ALA 391 Cb 0.45 -2.71 -0.03 0.00 0.00 0.00 0.00 19.45 17.16 1k1d n ALA 391 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1k1d s ASP 392 N 2.18 6.42 0.31 0.00 1.11 -1.26 -2.11 116.67 123.32 1k1d s ASP 392 Ca 0.64 -1.64 0.10 0.00 0.18 0.00 0.00 52.55 51.83 1k1d s ASP 392 Cb 0.25 -2.39 -0.06 0.00 1.07 0.00 0.00 42.92 41.79 1k1d s ASP 392 CO -0.02 -1.18 -0.14 -0.76 1.18 0.00 0.00 175.17 174.25 1k1d s LEU 393 N 3.05 2.66 -0.07 1.23 1.43 0.21 0.50 118.68 127.69 1k1d s LEU 393 Ca 0.26 -1.12 -0.02 0.00 -1.03 0.00 0.00 54.13 52.22 1k1d s LEU 393 Cb -0.12 -1.02 0.03 0.00 0.03 0.00 0.00 46.19 45.12 1k1d s LEU 393 CO -0.01 -0.11 0.03 -0.69 0.23 0.00 0.00 176.35 175.80 1k1d s VAL 394 N -2.60 0.18 -0.51 -1.59 1.01 -0.45 -1.42 120.40 115.04 1k1d s VAL 394 Ca 0.31 0.21 -0.19 0.00 0.00 0.00 0.00 61.98 62.31 1k1d s VAL 394 Cb -0.01 -0.40 0.06 0.00 0.00 0.00 0.00 36.38 36.03 1k1d s VAL 394 CO 0.15 0.20 0.64 -0.63 0.00 0.00 0.00 175.10 175.47 1k1d s ILE 395 N 2.05 4.85 -0.09 2.22 1.01 0.24 -1.36 121.20 130.13 1k1d s ILE 395 Ca 0.05 -0.45 -0.03 0.00 0.00 0.00 0.00 60.65 60.22 1k1d s ILE 395 Cb -0.12 -4.31 -0.04 0.00 0.01 0.00 0.00 42.46 38.00 1k1d s ILE 395 CO -0.05 -0.82 0.04 0.12 0.00 0.00 0.00 174.94 174.23 1k1d s PHE 396 N 2.70 3.27 -0.37 3.97 5.36 -0.13 -0.03 117.98 132.75 1k1d s PHE 396 Ca 0.16 0.27 -0.10 0.00 -0.96 0.00 0.00 56.93 56.30 1k1d s PHE 396 Cb -0.19 -1.82 0.03 0.00 -0.34 0.00 0.00 43.02 40.71 1k1d s PHE 396 CO 0.12 0.54 0.19 0.34 -1.46 0.00 0.00 175.22 174.95 1k1d s ASP 397 N -1.00 5.65 0.00 6.13 -1.08 -0.17 -0.82 116.67 125.39 1k1d s ASP 397 Ca 0.15 -1.05 0.24 0.00 -0.52 0.00 0.00 52.55 51.36 1k1d s ASP 397 Cb -0.12 -1.99 1.18 0.00 -1.46 0.00 0.00 42.92 40.53 1k1d s ASP 397 CO 0.04 -0.38 1.78 -0.81 0.52 0.00 0.00 175.17 176.31 1k1d n PRO 398 N 4.96 0.31 -0.03 4.34 -0.04 -1.26 -0.23 135.00 143.05 1k1d n PRO 398 Ca -0.12 0.07 -0.02 0.00 -0.04 0.00 0.00 63.50 63.39 1k1d n PRO 398 Cb 0.46 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.35 1k1d n PRO 398 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1k1d n ASN 399 N -1.30 2.83 -4.61 3.54 3.02 -1.26 -3.98 115.26 113.49 1k1d n ASN 399 Ca 0.11 0.00 -0.55 0.00 -0.03 0.00 0.00 54.58 54.11 1k1d n ASN 399 Cb 0.19 0.89 -0.07 0.00 -0.61 0.00 0.00 39.78 40.18 1k1d n ASN 399 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1k1d n ILE 400 N -2.21 0.29 -3.59 2.41 5.41 -1.26 -4.49 119.36 115.92 1k1d n ILE 400 Ca -0.11 -0.11 -0.36 0.00 1.00 0.00 0.00 62.75 63.17 1k1d n ILE 400 Cb 0.66 -1.37 -0.06 0.00 -0.71 0.00 0.00 39.64 38.16 1k1d n ILE 400 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 1k1d s GLU 401 N 4.49 3.77 0.29 0.38 2.02 -1.26 0.02 118.70 128.40 1k1d s GLU 401 Ca 1.02 0.20 -0.10 0.00 0.02 0.00 0.00 54.97 56.11 1k1d s GLU 401 Cb -1.00 -3.08 0.04 0.00 0.10 0.00 0.00 34.13 30.19 1k1d s GLU 401 CO 0.60 0.62 0.56 2.89 0.02 0.00 0.00 175.26 179.95 1k1d n ARG 402 N 1.26 0.81 -4.17 1.61 1.85 -0.16 -4.99 116.66 112.86 1k1d n ARG 402 Ca -0.11 -1.68 -0.24 0.00 -1.00 0.00 0.00 57.85 54.82 1k1d n ARG 402 Cb 0.53 2.04 -0.17 0.00 -1.05 0.00 0.00 32.46 33.81 1k1d n ARG 402 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1k1d s VAL 403 N -2.37 0.91 0.05 8.89 1.01 -1.26 -0.39 120.40 127.24 1k1d s VAL 403 Ca 0.13 -0.28 -0.31 0.00 0.00 0.00 0.00 61.98 61.52 1k1d s VAL 403 Cb -0.03 -0.91 -0.07 0.00 0.00 0.00 0.00 36.38 35.37 1k1d s VAL 403 CO 0.09 0.33 1.42 -0.63 0.00 0.00 0.00 175.10 176.31 1k1d s ILE 404 N 1.23 3.50 -0.10 2.22 1.01 0.11 -4.86 121.20 124.32 1k1d s ILE 404 Ca -0.05 0.98 -0.09 0.00 0.00 0.00 0.00 60.65 61.49 1k1d s ILE 404 Cb -0.14 -3.63 0.03 0.00 0.01 0.00 0.00 42.46 38.73 1k1d s ILE 404 CO -0.02 0.02 0.26 -0.55 0.00 0.00 0.00 174.94 174.65 1k1d s SER 405 N 1.68 -0.27 0.53 3.58 0.15 -1.26 0.28 113.70 118.39 1k1d s SER 405 Ca 0.65 0.52 0.36 0.00 0.70 0.00 0.00 55.95 58.18 1k1d s SER 405 Cb -0.34 0.52 1.86 0.00 -1.71 0.00 0.00 66.02 66.35 1k1d s SER 405 CO 0.28 -0.09 2.09 0.00 1.20 0.00 0.00 173.24 176.72 1k1d h ALA 406 N 5.76 1.00 0.00 5.45 0.00 -1.89 0.53 119.26 130.10 1k1d h ALA 406 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1k1d h ALA 406 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1k1d h ALA 406 CO 0.35 0.00 0.00 -1.91 0.00 0.00 0.00 179.25 177.69 1k1d n GLU 407 N -2.80 0.20 0.00 0.00 4.07 -1.26 -3.66 120.64 117.18 1k1d n GLU 407 Ca -0.02 0.43 0.00 0.00 -0.06 0.00 0.00 57.16 57.51 1k1d n GLU 407 Cb 0.10 -1.88 0.00 0.00 -0.06 0.00 0.00 31.44 29.60 1k1d n GLU 407 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 1k1d n THR 408 N -2.25 0.00 -1.04 6.31 -1.04 0.16 -5.07 114.28 111.34 1k1d n THR 408 Ca 0.02 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.69 1k1d n THR 408 Cb 0.23 -0.89 0.11 0.00 -1.82 0.00 0.00 70.33 67.96 1k1d n THR 408 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1k1d n HIS 409 N -1.86 0.07 -0.98 -1.42 1.44 0.07 -4.92 115.22 107.62 1k1d n HIS 409 Ca 0.00 0.35 0.06 0.00 -2.01 0.00 0.00 57.72 56.12 1k1d n HIS 409 Cb 0.45 -1.97 0.32 0.00 0.12 0.00 0.00 29.99 28.91 1k1d n HIS 409 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1k1d n HIS 410 N -3.20 1.52 -3.46 -1.40 -0.00 -1.26 -4.96 115.22 102.46 1k1d n HIS 410 Ca 0.11 -0.87 -0.32 0.00 -0.00 0.00 0.00 57.72 56.64 1k1d n HIS 410 Cb 0.51 -0.43 -0.05 0.00 -0.00 0.00 0.00 29.99 30.02 1k1d n HIS 410 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 1k1d s MET 411 N -2.84 3.77 0.00 -0.41 -1.94 -1.26 -4.31 119.30 112.31 1k1d s MET 411 Ca 0.48 0.21 0.00 0.00 -1.71 0.00 0.00 55.69 54.68 1k1d s MET 411 Cb 0.38 -2.68 0.00 0.00 2.01 0.00 0.00 34.83 34.54 1k1d s MET 411 CO 0.12 0.35 0.71 0.00 -0.01 0.00 0.00 175.02 176.18 1k1d n ALA 412 N -0.08 2.23 -2.20 3.03 0.00 -1.26 -4.84 120.51 117.39 1k1d n ALA 412 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 1k1d n ALA 412 Cb 0.52 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.91 1k1d n ALA 412 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1k1d s VAL 413 N -1.91 4.73 -2.00 0.00 -7.23 -1.26 -4.84 120.40 107.89 1k1d s VAL 413 Ca 0.00 0.87 0.19 0.00 -1.81 0.00 0.00 61.98 61.23 1k1d s VAL 413 Cb 0.00 -3.63 0.53 0.00 0.56 0.00 0.00 36.38 33.84 1k1d s VAL 413 CO 0.00 -0.12 1.65 -0.90 -0.31 0.00 0.00 175.10 175.41 1k1d n ASP 414 N -0.21 0.00 -3.81 4.85 5.68 -1.26 -4.85 116.55 116.95 1k1d n ASP 414 Ca 0.02 -1.19 -0.10 0.00 -0.50 0.00 0.00 54.79 53.03 1k1d n ASP 414 Cb 0.53 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.46 1k1d n ASP 414 CO 0.00 0.00 0.00 -0.72 -1.33 0.00 0.00 177.20 175.15 1k1d s TYR 415 N -2.00 0.41 -0.04 2.11 1.13 -1.26 -4.91 117.35 112.78 1k1d s TYR 415 Ca 0.28 -0.78 -0.02 0.00 -1.41 0.00 0.00 57.07 55.14 1k1d s TYR 415 Cb 0.13 0.23 0.03 0.00 -1.10 0.00 0.00 41.96 41.25 1k1d s TYR 415 CO 0.22 -1.07 0.05 1.21 -2.51 0.00 0.00 175.55 173.45 1k1d s ASN 416 N -3.05 1.18 0.62 -0.18 3.84 -1.26 -4.88 114.94 111.22 1k1d s ASN 416 Ca 0.22 0.06 0.28 0.00 0.21 0.00 0.00 52.86 53.63 1k1d s ASN 416 Cb -0.01 -0.18 1.51 0.00 -0.55 0.00 0.00 41.25 42.02 1k1d s ASN 416 CO 0.11 -0.24 1.84 0.00 -2.79 0.00 0.00 177.10 176.01 1k1d h ALA 417 N 8.41 1.31 -0.45 1.71 0.00 -1.90 -0.32 119.26 128.02 1k1d h ALA 417 Ca -0.13 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.52 1k1d h ALA 417 Cb 1.12 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.76 1k1d h ALA 417 CO 0.17 -0.31 -0.03 1.19 0.00 0.00 0.00 179.25 180.26 1k1d n PHE 418 N -2.77 1.43 -1.67 0.00 3.72 -1.26 -5.04 117.46 111.86 1k1d n PHE 418 Ca -0.02 -1.73 -0.46 0.00 -0.05 0.00 0.00 57.45 55.19 1k1d n PHE 418 Cb 0.37 -0.56 -0.04 0.00 -0.94 0.00 0.00 39.48 38.30 1k1d n PHE 418 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1k1d n GLU 419 N -1.10 2.23 -0.06 -1.08 4.07 -0.13 -1.31 120.64 123.26 1k1d n GLU 419 Ca 0.37 0.81 0.00 0.00 -0.06 0.00 0.00 57.16 58.28 1k1d n GLU 419 Cb 1.07 -2.60 0.00 0.00 -0.06 0.00 0.00 31.44 29.86 1k1d n GLU 419 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1k1d n GLY 420 N 3.63 2.43 3.72 8.31 0.00 0.14 -4.99 105.19 118.43 1k1d n GLY 420 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1k1d n GLY 420 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1k1d s MET 421 N -0.15 4.30 0.06 1.61 0.00 -0.42 -4.74 119.30 119.96 1k1d s MET 421 Ca 0.00 2.13 -0.26 0.00 0.00 0.00 0.00 55.69 57.56 1k1d s MET 421 Cb 0.00 -3.23 -0.05 0.00 0.00 0.00 0.00 34.83 31.55 1k1d s MET 421 CO 0.00 -0.47 0.82 0.21 0.00 0.00 0.00 175.02 175.58 1k1d s LYS 422 N 1.07 4.54 -0.00 4.11 2.20 -1.26 0.08 119.74 130.48 1k1d s LYS 422 Ca 0.65 1.16 0.01 0.00 -0.36 0.00 0.00 55.97 57.44 1k1d s LYS 422 Cb -0.38 -3.37 -0.00 0.00 -1.51 0.00 0.00 37.83 32.56 1k1d s LYS 422 CO 0.31 0.25 -0.04 0.08 -0.36 0.00 0.00 175.35 175.59 1k1d s VAL 423 N 0.01 0.33 -0.15 4.02 1.01 0.47 -4.95 120.40 121.15 1k1d s VAL 423 Ca 0.41 -0.23 -0.06 0.00 0.00 0.00 0.00 61.98 62.10 1k1d s VAL 423 Cb -0.21 -0.29 -0.04 0.00 0.00 0.00 0.00 36.38 35.84 1k1d s VAL 423 CO 0.25 0.06 0.05 -0.89 0.00 0.00 0.00 175.10 174.57 1k1d s THR 424 N -0.18 4.72 0.00 3.92 2.01 -1.26 -0.99 115.64 123.86 1k1d s THR 424 Ca 0.01 -0.07 0.00 0.00 0.31 0.00 0.00 61.69 61.94 1k1d s THR 424 Cb -0.02 -3.08 0.00 0.00 0.01 0.00 0.00 72.50 69.41 1k1d s THR 424 CO -0.00 0.52 0.00 0.61 -0.69 0.00 0.00 174.62 175.06 1k1d n GLY 425 N 2.98 1.19 3.61 4.40 0.00 0.10 -4.02 105.19 113.46 1k1d n GLY 425 Ca -0.18 -1.59 -0.12 0.00 0.00 0.00 0.00 46.02 44.13 1k1d n GLY 425 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1k1d s GLU 426 N -4.46 0.72 0.22 1.61 2.12 0.68 -4.89 118.70 114.71 1k1d s GLU 426 Ca 0.00 0.68 -0.30 0.00 0.36 0.00 0.00 54.97 55.71 1k1d s GLU 426 Cb 0.00 0.35 -0.09 0.00 0.26 0.00 0.00 34.13 34.65 1k1d s GLU 426 CO 0.00 -0.12 1.39 -2.14 -0.54 0.00 0.00 175.26 173.85 1k1d s PRO 427 N -0.01 4.32 -0.20 4.30 0.02 -1.26 -1.00 135.00 141.17 1k1d s PRO 427 Ca -0.00 2.19 -0.07 0.00 0.02 0.00 0.00 61.00 63.13 1k1d s PRO 427 Cb -0.04 -3.15 -0.10 0.00 0.02 0.00 0.00 34.50 31.23 1k1d s PRO 427 CO -0.00 -0.36 -0.24 0.28 -0.33 0.00 0.00 177.00 176.34 1k1d n VAL 428 N 2.63 1.11 -4.14 3.83 0.31 0.96 -4.64 118.33 118.39 1k1d n VAL 428 Ca 0.07 -0.32 -0.19 0.00 -0.01 0.00 0.00 64.34 63.90 1k1d n VAL 428 Cb 0.41 -1.63 -0.16 0.00 -0.91 0.00 0.00 33.84 31.55 1k1d n VAL 428 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1k1d s SER 429 N -6.59 0.79 -0.18 4.52 0.01 -0.96 -0.47 113.70 110.82 1k1d s SER 429 Ca -0.28 -0.11 -0.00 0.00 1.31 0.00 0.00 55.95 56.87 1k1d s SER 429 Cb 0.10 -0.32 0.04 0.00 0.21 0.00 0.00 66.02 66.05 1k1d s SER 429 CO 0.38 -0.03 -0.06 -0.69 0.41 0.00 0.00 173.24 173.25 1k1d s VAL 430 N 0.66 1.24 -0.00 3.43 1.01 0.17 0.83 120.40 127.74 1k1d s VAL 430 Ca -0.08 -0.75 0.08 0.00 0.00 0.00 0.00 61.98 61.22 1k1d s VAL 430 Cb -0.12 -1.41 -0.02 0.00 0.00 0.00 0.00 36.38 34.83 1k1d s VAL 430 CO -0.00 0.11 -0.25 -1.48 0.00 0.00 0.00 175.10 173.48 1k1d s LEU 431 N 1.57 2.12 -0.22 3.92 2.34 -0.50 -0.41 118.68 127.49 1k1d s LEU 431 Ca -0.00 -0.49 -0.04 0.00 0.06 0.00 0.00 54.13 53.66 1k1d s LEU 431 Cb -0.16 -1.34 -0.01 0.00 -0.56 0.00 0.00 46.19 44.13 1k1d s LEU 431 CO -0.08 0.31 -0.04 0.00 -1.06 0.00 0.00 176.35 175.48 1k1d n ARG 433 N 4.79 -1.98 0.00 0.00 1.74 -0.93 -2.41 116.66 117.87 1k1d n ARG 433 Ca -0.18 0.59 0.00 0.00 -0.77 0.00 0.00 57.85 57.49 1k1d n ARG 433 Cb 0.50 -4.75 0.00 0.00 -1.02 0.00 0.00 32.46 27.20 1k1d n ARG 433 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1k1d n GLY 434 N -1.54 1.57 3.70 -0.13 0.00 -0.90 -4.51 105.19 103.38 1k1d n GLY 434 Ca -0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 1k1d n GLY 434 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k1d s GLU 435 N 0.00 3.55 0.42 1.61 0.41 -1.01 -4.99 118.70 118.69 1k1d s GLU 435 Ca 0.00 -0.32 -0.25 0.00 -0.41 0.00 0.00 54.97 53.99 1k1d s GLU 435 Cb 0.00 -3.07 -0.08 0.00 -1.78 0.00 0.00 34.13 29.20 1k1d s GLU 435 CO 0.00 0.52 1.25 -0.06 -0.49 0.00 0.00 175.26 176.48 1k1d s PHE 436 N -0.33 2.85 -0.02 1.61 0.40 -1.26 -0.85 117.98 120.38 1k1d s PHE 436 Ca 0.09 1.46 0.02 0.00 -0.60 0.00 0.00 56.93 57.90 1k1d s PHE 436 Cb -0.12 -3.57 -0.03 0.00 0.51 0.00 0.00 43.02 39.81 1k1d s PHE 436 CO 0.02 -1.87 0.02 0.28 0.70 0.00 0.00 175.22 174.36 1k1d n VAL 437 N -0.07 0.12 -3.43 -0.44 0.31 0.46 -4.35 118.33 110.93 1k1d n VAL 437 Ca 0.05 -0.08 -0.14 0.00 -0.01 0.00 0.00 64.34 64.15 1k1d n VAL 437 Cb 0.45 -0.68 -0.11 0.00 -0.91 0.00 0.00 33.84 32.59 1k1d n VAL 437 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1k1d s VAL 438 N -2.07 -0.44 -0.13 2.52 1.01 -0.64 -1.76 120.40 118.89 1k1d s VAL 438 Ca -0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 61.98 61.86 1k1d s VAL 438 Cb 0.01 -0.74 -0.02 0.00 0.00 0.00 0.00 36.38 35.63 1k1d s VAL 438 CO 0.09 -0.17 -0.09 -0.60 0.00 0.00 0.00 175.10 174.32 1k1d s ARG 439 N 2.42 3.38 -1.16 2.72 3.52 -0.11 0.46 118.95 130.18 1k1d s ARG 439 Ca 0.09 -0.62 -0.24 0.00 -0.13 0.00 0.00 55.73 54.84 1k1d s ARG 439 Cb -0.16 -2.71 0.00 0.00 -1.56 0.00 0.00 34.95 30.53 1k1d s ARG 439 CO -0.14 0.29 0.76 -0.25 -0.81 0.00 0.00 175.30 175.15 1k1d n ASP 440 N 3.33 -4.96 -2.18 -2.12 8.00 -0.43 -1.18 116.55 117.02 1k1d n ASP 440 Ca -0.18 -1.09 -0.10 0.00 0.71 0.00 0.00 54.79 54.13 1k1d n ASP 440 Cb 0.53 -2.96 -0.01 0.00 -0.02 0.00 0.00 41.12 38.66 1k1d n ASP 440 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1k1d n LYS 441 N -4.41 -2.09 -4.12 -1.24 5.02 0.38 -4.93 118.16 106.78 1k1d n LYS 441 Ca -0.10 0.52 -0.19 0.00 -2.02 0.00 0.00 58.31 56.52 1k1d n LYS 441 Cb 0.58 -5.01 -0.16 0.00 -0.02 0.00 0.00 35.03 30.42 1k1d n LYS 441 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1k1d s GLN 442 N -4.51 0.70 0.21 1.97 -0.44 -0.32 -5.13 119.66 112.14 1k1d s GLN 442 Ca 0.00 -0.07 -0.31 0.00 -2.50 0.00 0.00 55.36 52.48 1k1d s GLN 442 Cb 0.00 -0.73 -0.10 0.00 -1.64 0.00 0.00 33.01 30.54 1k1d s GLN 442 CO 0.00 -0.08 1.49 0.12 0.50 0.00 0.00 175.29 177.32 1k1d s PHE 443 N 0.86 3.04 0.00 1.67 5.36 -1.26 -0.93 117.98 126.71 1k1d s PHE 443 Ca -0.11 0.88 0.00 0.00 -0.96 0.00 0.00 56.93 56.74 1k1d s PHE 443 Cb -0.14 -3.86 0.00 0.00 -0.34 0.00 0.00 43.02 38.69 1k1d s PHE 443 CO -0.00 -2.94 0.62 1.33 -1.46 0.00 0.00 175.22 172.77 1k1d n VAL 444 N 2.98 0.00 -1.86 3.12 0.24 -0.72 -4.89 118.33 117.20 1k1d n VAL 444 Ca 0.09 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.33 1k1d n VAL 444 Cb 0.40 0.75 0.04 0.00 -1.47 0.00 0.00 33.84 33.55 1k1d n VAL 444 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1k1d n GLY 445 N 0.00 -0.09 2.91 7.63 0.00 -1.06 -4.80 105.19 109.78 1k1d n GLY 445 Ca 0.00 -1.85 -0.15 0.00 0.00 0.00 0.00 46.02 44.02 1k1d n GLY 445 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k1d s LYS 446 N -3.30 0.08 0.12 1.61 1.02 -1.26 -5.09 119.74 112.92 1k1d s LYS 446 Ca 0.17 0.53 -0.34 0.00 0.02 0.00 0.00 55.97 56.35 1k1d s LYS 446 Cb -0.01 -0.20 -0.14 0.00 -0.52 0.00 0.00 37.83 36.97 1k1d s LYS 446 CO 0.11 -0.25 1.62 -0.35 -0.92 0.00 0.00 175.35 175.57 1k1d n PRO 447 N 4.90 2.15 0.00 -1.68 -0.04 -1.26 -1.50 135.00 137.57 1k1d n PRO 447 Ca -0.13 0.78 0.00 0.00 -0.04 0.00 0.00 63.50 64.11 1k1d n PRO 447 Cb 0.51 -2.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.41 1k1d n PRO 447 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1k1d n GLY 448 N 3.56 2.45 0.28 0.55 0.00 0.15 -4.58 105.19 107.59 1k1d n GLY 448 Ca 0.18 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.17 1k1d n GLY 448 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1k1d h TYR 449 N 0.00 0.72 -3.64 1.61 3.20 -0.78 -3.43 116.97 114.66 1k1d h TYR 449 Ca 0.00 -0.09 -0.53 0.00 3.14 0.00 0.00 58.73 61.25 1k1d h TYR 449 Cb 0.00 -0.20 0.06 0.00 1.54 0.00 0.00 36.73 38.13 1k1d h TYR 449 CO 0.00 0.69 0.71 0.20 -1.64 0.00 0.00 178.16 178.12 1k1d s GLY 450 N -3.77 2.66 0.16 1.82 0.00 0.39 -4.87 107.32 103.70 1k1d s GLY 450 Ca -0.09 1.32 0.11 0.00 0.00 0.00 0.00 44.72 46.06 1k1d s GLY 450 CO 0.79 2.13 -0.25 -0.86 0.00 0.00 0.00 173.10 174.92 1k1d s GLN 451 N -1.10 1.42 0.67 2.90 -2.07 -1.26 -4.67 119.66 115.54 1k1d s GLN 451 Ca 0.54 -1.41 -0.16 0.00 -1.82 0.00 0.00 55.36 52.51 1k1d s GLN 451 Cb -0.41 -1.79 0.00 0.00 -1.09 0.00 0.00 33.01 29.72 1k1d s GLN 451 CO 0.49 0.40 1.19 -0.47 -1.32 0.00 0.00 175.29 175.59 1k1d s TYR 452 N -1.40 2.27 -0.14 9.60 5.04 -1.26 -2.18 117.35 129.27 1k1d s TYR 452 Ca 0.16 1.56 0.01 0.00 -2.44 0.00 0.00 57.07 56.36 1k1d s TYR 452 Cb -0.09 -3.44 0.02 0.00 0.35 0.00 0.00 41.96 38.81 1k1d s TYR 452 CO 0.08 -2.33 -0.14 -0.51 -1.34 0.00 0.00 175.55 171.30 1k1d s LEU 453 N -4.68 1.67 0.06 6.97 1.43 0.21 -4.83 118.68 119.50 1k1d s LEU 453 Ca 0.75 -0.47 -0.27 0.00 -1.03 0.00 0.00 54.13 53.11 1k1d s LEU 453 Cb -0.28 -1.15 -0.05 0.00 0.03 0.00 0.00 46.19 44.73 1k1d s LEU 453 CO 0.40 -0.05 0.84 -0.54 0.23 0.00 0.00 176.35 177.23 1k1d s LYS 454 N 1.42 4.56 0.12 1.70 1.02 -1.26 -4.57 119.74 122.74 1k1d s LYS 454 Ca 0.03 1.20 0.06 0.00 0.02 0.00 0.00 55.97 57.28 1k1d s LYS 454 Cb -0.13 -3.38 -0.04 0.00 -0.52 0.00 0.00 37.83 33.76 1k1d s LYS 454 CO -0.09 0.22 -0.01 1.03 -0.92 0.00 0.00 175.35 175.58 1k1d s ARG 455 N 0.09 2.45 0.75 1.68 0.52 -0.06 -4.81 118.95 119.57 1k1d s ARG 455 Ca 0.42 -0.96 -0.15 0.00 -0.52 0.00 0.00 55.73 54.52 1k1d s ARG 455 Cb -0.21 -2.45 0.01 0.00 0.52 0.00 0.00 34.95 32.82 1k1d s ARG 455 CO 0.25 0.50 0.85 0.00 0.02 0.00 0.00 175.30 176.92 1k1d n ALA 456 N 0.31 -0.70 0.70 2.13 0.00 -0.20 -4.63 120.51 118.12 1k1d n ALA 456 Ca -0.11 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1k1d n ALA 456 Cb 0.53 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 17.94 1k1d n ALA 456 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1k1d n LYS 457 N -1.75 0.75 -1.22 0.00 4.81 -1.26 -4.51 118.16 114.98 1k1d n LYS 457 Ca 0.12 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.50 1k1d n LYS 457 Cb 0.50 -1.12 -0.02 0.00 0.02 0.00 0.00 35.03 34.40 1k1d n LYS 457 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 1k1d n TYR 458 N 0.67 -0.02 -2.77 5.64 9.36 -1.26 -4.46 117.16 124.33 1k1d n TYR 458 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1k1d n TYR 458 Cb 0.38 -1.32 0.00 0.00 -0.63 0.00 0.00 39.34 37.76 1k1d n TYR 458 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1k1d n GLY 459 N -2.23 6.85 0.00 2.98 0.00 -1.26 -5.05 105.19 106.47 1k1d n GLY 459 Ca -0.06 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.10 1k1d n GLY 459 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73