#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 1.84 -4.13 2.03 -1.04 -1.26 -4.97 114.28 106.75 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 -0.48 -0.10 0.00 -1.82 0.00 0.00 70.33 67.93 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 -1.35 0.73 -0.11 -2.82 1.02 -0.97 -4.06 119.74 112.18 1k1d s LYS 3 Ca 0.62 -1.28 -0.03 0.00 0.02 0.00 0.00 55.97 55.29 1k1d s LYS 3 Cb -0.74 -0.00 0.05 0.00 -0.52 0.00 0.00 37.83 36.62 1k1d s LYS 3 CO 0.58 -0.06 0.10 0.42 -0.92 0.00 0.00 175.35 175.47 1k1d s ILE 4 N -3.77 -0.15 -0.45 2.17 1.01 -1.05 -0.66 121.20 118.29 1k1d s ILE 4 Ca 0.10 0.15 -0.16 0.00 0.00 0.00 0.00 60.65 60.74 1k1d s ILE 4 Cb 0.07 -0.38 0.04 0.00 0.01 0.00 0.00 42.46 42.21 1k1d s ILE 4 CO -0.07 -0.03 0.42 -0.63 0.00 0.00 0.00 174.94 174.63 1k1d s ILE 5 N 2.20 5.14 0.31 2.92 1.01 -0.45 0.95 121.20 133.28 1k1d s ILE 5 Ca 0.04 -0.68 0.08 0.00 0.00 0.00 0.00 60.65 60.08 1k1d s ILE 5 Cb -0.14 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 1k1d s ILE 5 CO -0.06 -0.51 0.17 -1.59 0.00 0.00 0.00 174.94 172.94 1k1d s LYS 6 N 1.95 2.55 -1.98 2.79 -2.85 -0.12 -1.18 119.74 120.89 1k1d s LYS 6 Ca 0.08 -1.38 0.00 0.00 -1.00 0.00 0.00 55.97 53.68 1k1d s LYS 6 Cb -0.20 -2.32 0.00 0.00 -2.06 0.00 0.00 37.83 33.25 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 -1.17 -5.36 -4.96 0.03 3.02 -1.26 0.07 115.26 105.62 1k1d n ASN 7 Ca -0.04 0.40 -0.19 0.00 -0.03 0.00 0.00 54.58 54.71 1k1d n ASN 7 Cb 0.60 -4.53 -0.01 0.00 -0.61 0.00 0.00 39.78 35.23 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 -2.69 1.64 -0.34 7.41 0.00 -1.25 -2.87 107.32 109.22 1k1d s GLY 8 Ca 0.00 -1.50 -0.11 0.00 0.00 0.00 0.00 44.72 43.11 1k1d s GLY 8 CO 0.00 -1.42 0.19 -1.59 0.00 0.00 0.00 173.10 170.28 1k1d s THR 9 N -2.20 4.70 0.09 0.90 2.01 0.07 -3.40 115.64 117.81 1k1d s THR 9 Ca 0.44 -0.56 -0.30 0.00 0.31 0.00 0.00 61.69 61.58 1k1d s THR 9 Cb -0.09 -3.49 -0.05 0.00 0.01 0.00 0.00 72.50 68.88 1k1d s THR 9 CO 0.30 -0.07 0.99 -0.63 -0.69 0.00 0.00 174.62 174.52 1k1d s ILE 10 N 1.61 4.50 -0.29 1.82 1.01 0.35 -0.53 121.20 129.67 1k1d s ILE 10 Ca 0.04 2.01 -0.03 0.00 0.00 0.00 0.00 60.65 62.67 1k1d s ILE 10 Cb -0.18 -4.28 0.10 0.00 0.01 0.00 0.00 42.46 38.11 1k1d s ILE 10 CO 0.07 0.28 0.11 -0.69 0.00 0.00 0.00 174.94 174.71 1k1d s VAL 11 N 0.22 0.35 0.11 2.92 1.01 -1.02 -0.78 120.40 123.21 1k1d s VAL 11 Ca 0.49 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 61.45 1k1d s VAL 11 Cb -0.24 -1.27 0.02 0.00 0.00 0.00 0.00 36.38 34.90 1k1d s VAL 11 CO 0.30 -0.69 0.16 0.35 0.00 0.00 0.00 175.10 175.22 1k1d n THR 12 N 5.07 0.00 0.47 3.92 -2.24 0.66 -4.43 114.28 117.74 1k1d n THR 12 Ca -0.04 -0.27 0.09 0.00 -2.27 0.00 0.00 64.05 61.56 1k1d n THR 12 Cb 0.42 -1.22 0.40 0.00 -2.10 0.00 0.00 70.33 67.83 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 -2.96 1.69 0.00 6.98 0.00 -1.26 -3.99 120.51 120.96 1k1d n ALA 13 Ca -0.03 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1k1d n ALA 13 Cb 0.10 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.24 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 -1.83 0.00 -3.82 0.00 -1.04 -1.26 -4.58 114.28 101.75 1k1d n THR 14 Ca 0.03 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.82 1k1d n THR 14 Cb 0.20 -0.70 -0.02 0.00 -1.82 0.00 0.00 70.33 68.00 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 -4.22 6.31 -0.28 8.00 1.01 -1.26 -5.00 116.67 121.23 1k1d s ASP 15 Ca 0.00 0.17 0.00 0.00 0.71 0.00 0.00 52.55 53.43 1k1d s ASP 15 Cb 0.00 -1.90 0.14 0.00 1.01 0.00 0.00 42.92 42.17 1k1d s ASP 15 CO 0.00 -0.13 0.35 -0.89 0.21 0.00 0.00 175.17 174.71 1k1d s THR 16 N -2.07 -0.53 0.24 -1.27 2.01 -1.25 -0.24 115.64 112.54 1k1d s THR 16 Ca 0.36 -0.33 -0.09 0.00 0.31 0.00 0.00 61.69 61.94 1k1d s THR 16 Cb -0.09 -0.95 -0.01 0.00 0.01 0.00 0.00 72.50 71.46 1k1d s THR 16 CO 0.31 -0.33 0.39 -0.72 -0.69 0.00 0.00 174.62 173.58 1k1d s TYR 17 N 2.46 0.61 -0.18 4.92 1.13 0.04 -4.97 117.35 121.37 1k1d s TYR 17 Ca 0.10 -0.93 -0.05 0.00 -1.41 0.00 0.00 57.07 54.78 1k1d s TYR 17 Cb -0.14 -0.01 -0.03 0.00 -1.10 0.00 0.00 41.96 40.68 1k1d s TYR 17 CO -0.28 -0.92 -0.01 -1.21 -2.51 0.00 0.00 175.55 170.62 1k1d s GLU 18 N -3.97 3.68 0.14 -3.49 2.02 -1.26 0.13 118.70 115.94 1k1d s GLU 18 Ca 0.27 -0.50 -0.24 0.00 0.02 0.00 0.00 54.97 54.52 1k1d s GLU 18 Cb 0.01 -3.04 0.08 0.00 0.10 0.00 0.00 34.13 31.29 1k1d s GLU 18 CO 0.11 0.12 1.09 0.00 0.02 0.00 0.00 175.26 176.59 1k1d s ALA 19 N 0.71 -1.77 0.13 5.21 0.00 -1.22 -4.83 121.76 120.00 1k1d s ALA 19 Ca -0.00 -0.21 0.08 0.00 0.00 0.00 0.00 51.96 51.83 1k1d s ALA 19 Cb -0.14 0.76 -0.04 0.00 0.00 0.00 0.00 23.12 23.70 1k1d s ALA 19 CO 0.02 -1.08 -0.10 -1.01 0.00 0.00 0.00 175.76 173.60 1k1d s HIS 20 N -2.22 2.70 -0.16 0.00 3.76 0.66 -3.96 115.29 116.07 1k1d s HIS 20 Ca 0.22 -0.18 -0.02 0.00 -0.15 0.00 0.00 55.06 54.93 1k1d s HIS 20 Cb -0.02 -1.38 -0.01 0.00 1.11 0.00 0.00 32.58 32.28 1k1d s HIS 20 CO 0.04 0.46 -0.09 -0.51 -0.85 0.00 0.00 174.74 173.78 1k1d s LEU 21 N -2.45 2.84 -0.43 0.89 1.43 -0.32 -2.08 118.68 118.56 1k1d s LEU 21 Ca 0.23 -0.32 -0.15 0.00 -1.03 0.00 0.00 54.13 52.86 1k1d s LEU 21 Cb -0.10 -1.67 0.04 0.00 0.03 0.00 0.00 46.19 44.49 1k1d s LEU 21 CO 0.14 0.12 0.32 -0.22 0.23 0.00 0.00 176.35 176.94 1k1d s LEU 22 N 0.64 5.24 0.02 1.79 2.96 0.19 -1.34 118.68 128.20 1k1d s LEU 22 Ca -0.05 -1.04 -0.20 0.00 -0.22 0.00 0.00 54.13 52.61 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 -0.51 0.58 -0.63 -1.32 0.00 0.00 176.35 174.50 1k1d s ILE 23 N 1.66 4.85 0.00 6.68 1.01 0.16 -0.28 121.20 135.28 1k1d s ILE 23 Ca 0.04 1.23 0.00 0.00 0.00 0.00 0.00 60.65 61.92 1k1d s ILE 23 Cb -0.21 -3.92 0.00 0.00 0.01 0.00 0.00 42.46 38.35 1k1d s ILE 23 CO 0.09 0.47 0.00 1.17 0.00 0.00 0.00 174.94 176.67 1k1d n LYS 24 N 2.35 0.00 -0.54 2.79 3.00 0.31 -2.29 118.16 123.78 1k1d n LYS 24 Ca -0.08 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.19 1k1d n LYS 24 Cb 0.51 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.49 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 4.22 0.00 3.14 9.92 -1.26 -4.40 116.55 128.17 1k1d n ASP 25 Ca 0.00 -2.18 0.00 0.00 -0.53 0.00 0.00 54.79 52.08 1k1d n ASP 25 Cb 0.00 -0.98 0.00 0.00 -0.64 0.00 0.00 41.12 39.50 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 1.96 0.67 3.53 0.44 0.00 -1.26 -4.99 105.19 105.54 1k1d n GLY 26 Ca 0.12 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 -0.10 1.78 -0.36 1.61 1.02 -1.26 -0.64 119.74 121.79 1k1d s LYS 27 Ca 0.00 -1.97 -0.27 0.00 0.02 0.00 0.00 55.97 53.75 1k1d s LYS 27 Cb 0.00 -1.34 0.02 0.00 -0.52 0.00 0.00 37.83 35.99 1k1d s LYS 27 CO 0.00 -0.05 1.00 0.42 -0.92 0.00 0.00 175.35 175.80 1k1d s ILE 28 N -2.92 4.53 -0.10 2.17 1.01 -0.50 -0.53 121.20 124.86 1k1d s ILE 28 Ca 0.34 1.41 -0.26 0.00 0.00 0.00 0.00 60.65 62.15 1k1d s ILE 28 Cb 0.07 -4.38 -0.28 0.00 0.01 0.00 0.00 42.46 37.88 1k1d s ILE 28 CO 0.16 -0.54 0.82 0.00 0.00 0.00 0.00 174.94 175.38 1k1d h ALA 29 N 8.38 -0.04 -2.29 9.38 0.00 -0.96 -0.64 119.26 133.08 1k1d h ALA 29 Ca -0.22 -0.60 0.02 0.00 0.00 0.00 0.00 54.91 54.12 1k1d h ALA 29 Cb 1.07 0.05 -0.17 0.00 0.00 0.00 0.00 17.79 18.75 1k1d h ALA 29 CO 1.01 0.18 0.35 0.00 0.00 0.00 0.00 179.25 180.78 1k1d s MET 30 N -2.31 0.97 -0.00 0.00 0.23 -1.10 -4.80 119.30 112.29 1k1d s MET 30 Ca -0.17 -0.13 0.07 0.00 -1.03 0.00 0.00 55.69 54.43 1k1d s MET 30 Cb -0.01 0.45 -0.02 0.00 -1.53 0.00 0.00 34.83 33.72 1k1d s MET 30 CO 0.75 -0.38 -0.22 0.42 -2.03 0.00 0.00 175.02 173.56 1k1d s ILE 31 N -2.46 1.76 -2.02 3.16 1.01 -1.26 -0.63 121.20 120.75 1k1d s ILE 31 Ca -0.01 -1.02 0.00 0.00 0.00 0.00 0.00 60.65 59.61 1k1d s ILE 31 Cb -0.01 -1.48 0.00 0.00 0.01 0.00 0.00 42.46 40.99 1k1d s ILE 31 CO -0.04 0.43 0.00 0.61 0.00 0.00 0.00 174.94 175.95 1k1d n GLY 32 N 2.35 -1.60 3.69 6.18 0.00 -0.89 -4.96 105.19 109.96 1k1d n GLY 32 Ca -0.16 -1.07 -0.29 0.00 0.00 0.00 0.00 46.02 44.51 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 -1.48 2.52 -1.28 1.61 -2.07 -1.26 0.24 119.66 117.94 1k1d s GLN 33 Ca 0.00 -0.92 -0.01 0.00 -1.82 0.00 0.00 55.36 52.61 1k1d s GLN 33 Cb 0.00 -2.49 -0.00 0.00 -1.09 0.00 0.00 33.01 29.42 1k1d s GLN 33 CO 0.00 0.51 0.74 0.09 -1.32 0.00 0.00 175.29 175.31 1k1d n ASN 34 N 0.32 -1.57 -4.81 12.60 3.02 -1.26 -4.94 115.26 118.61 1k1d n ASN 34 Ca -0.10 -0.80 -0.33 0.00 -0.03 0.00 0.00 54.58 53.31 1k1d n ASN 34 Cb 0.53 -4.18 -0.05 0.00 -0.61 0.00 0.00 39.78 35.48 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 -6.59 3.84 -0.04 3.41 1.43 -1.26 -5.06 118.68 114.41 1k1d s LEU 35 Ca 0.03 1.79 -0.18 0.00 -1.03 0.00 0.00 54.13 54.75 1k1d s LEU 35 Cb -0.01 -4.55 0.03 0.00 0.03 0.00 0.00 46.19 41.70 1k1d s LEU 35 CO 0.80 -0.62 0.39 -1.61 0.23 0.00 0.00 176.35 175.54 1k1d s GLU 36 N -3.35 0.72 -0.30 1.70 2.02 -1.26 -5.11 118.70 113.12 1k1d s GLU 36 Ca 0.64 -0.03 -0.15 0.00 0.02 0.00 0.00 54.97 55.46 1k1d s GLU 36 Cb -0.13 0.33 0.18 0.00 0.10 0.00 0.00 34.13 34.60 1k1d s GLU 36 CO 0.19 -0.20 1.10 -2.00 0.02 0.00 0.00 175.26 174.38 1k1d s GLU 37 N -1.14 0.15 -0.01 1.61 2.12 -1.26 -5.13 118.70 115.04 1k1d s GLU 37 Ca -0.12 0.29 -0.39 0.00 0.36 0.00 0.00 54.97 55.11 1k1d s GLU 37 Cb -0.04 0.16 -0.18 0.00 0.26 0.00 0.00 34.13 34.33 1k1d s GLU 37 CO 0.05 -0.15 1.31 1.17 -0.54 0.00 0.00 175.26 177.10 1k1d n LYS 38 N 5.38 0.71 -1.90 4.30 4.81 -1.26 -3.62 118.16 126.57 1k1d n LYS 38 Ca -0.08 0.26 -0.01 0.00 -0.87 0.00 0.00 58.31 57.61 1k1d n LYS 38 Cb 0.54 -1.85 -0.01 0.00 0.02 0.00 0.00 35.03 33.74 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 -3.52 0.00 3.14 0.00 -1.26 -5.03 105.19 100.96 1k1d n GLY 39 Ca 0.20 0.16 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 0.39 0.00 0.00 4.61 0.00 -1.24 -4.70 120.51 119.57 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 0.09 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.54 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 -2.54 120.64 118.29 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 0.23 -3.16 0.00 0.00 0.27 0.00 0.00 31.44 28.78 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 -3.28 6.31 0.31 -1.26 -4.88 118.33 113.89 1k1d n VAL 42 Ca 0.00 0.03 -0.39 0.00 -0.01 0.00 0.00 64.34 63.97 1k1d n VAL 42 Cb 0.00 -0.47 -0.06 0.00 -0.91 0.00 0.00 33.84 32.40 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 -0.05 4.86 -0.24 2.52 -1.09 0.27 -4.93 121.20 122.53 1k1d s ILE 43 Ca 0.00 1.17 -0.10 0.00 -2.23 0.00 0.00 60.65 59.49 1k1d s ILE 43 Cb 0.00 -3.88 -0.05 0.00 -1.58 0.00 0.00 42.46 36.95 1k1d s ILE 43 CO 0.00 0.49 0.15 -0.62 -1.23 0.00 0.00 174.94 173.73 1k1d s ASP 44 N -0.67 5.99 -0.13 3.58 2.15 -1.26 -0.94 116.67 125.39 1k1d s ASP 44 Ca 0.29 0.07 0.16 0.00 0.43 0.00 0.00 52.55 53.50 1k1d s ASP 44 Cb -0.18 -2.08 0.36 0.00 -0.30 0.00 0.00 42.92 40.72 1k1d s ASP 44 CO 0.17 0.06 1.25 0.00 -0.17 0.00 0.00 175.17 176.48 1k1d n ALA 45 N 4.33 2.53 -1.39 3.66 0.00 0.11 -4.93 120.51 124.81 1k1d n ALA 45 Ca -0.15 -2.23 -0.44 0.00 0.00 0.00 0.00 53.44 50.62 1k1d n ALA 45 Cb 0.52 -0.48 -0.01 0.00 0.00 0.00 0.00 19.45 19.48 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 -0.82 0.23 -3.55 0.00 5.02 -1.14 -1.49 118.16 116.41 1k1d n LYS 46 Ca 0.16 0.08 -0.26 0.00 -2.02 0.00 0.00 58.31 56.27 1k1d n LYS 46 Cb 0.69 -1.18 0.03 0.00 -0.02 0.00 0.00 35.03 34.55 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 2.03 -0.51 3.17 0.72 0.00 -1.26 -4.97 105.19 104.38 1k1d n GLY 47 Ca 0.13 0.16 -0.09 0.00 0.00 0.00 0.00 46.02 46.22 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 -3.16 3.48 -0.29 0.00 2.02 -0.03 -0.75 117.35 118.62 1k1d s TYR 49 Ca -0.00 0.23 0.01 0.00 -0.37 0.00 0.00 57.07 56.94 1k1d s TYR 49 Cb 0.02 -1.77 0.08 0.00 -0.40 0.00 0.00 41.96 39.90 1k1d s TYR 49 CO -0.07 0.41 0.02 0.08 -1.57 0.00 0.00 175.55 174.42 1k1d s VAL 50 N -1.87 1.57 0.20 0.71 1.01 0.31 -0.81 120.40 121.52 1k1d s VAL 50 Ca 0.37 -1.60 0.04 0.00 0.00 0.00 0.00 61.98 60.79 1k1d s VAL 50 Cb -0.11 -2.02 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 1k1d s VAL 50 CO 0.29 -0.41 0.32 -0.36 0.00 0.00 0.00 175.10 174.95 1k1d s PHE 51 N 1.31 3.45 0.19 5.22 0.08 -0.37 -2.44 117.98 125.41 1k1d s PHE 51 Ca 0.03 0.03 -0.30 0.00 0.12 0.00 0.00 56.93 56.82 1k1d s PHE 51 Cb -0.18 -1.60 -0.08 0.00 -0.57 0.00 0.00 43.02 40.58 1k1d s PHE 51 CO -0.12 0.47 1.13 -2.14 -0.10 0.00 0.00 175.22 174.46 1k1d s PRO 52 N -3.67 4.57 0.40 0.24 0.02 -1.26 -1.22 135.00 134.07 1k1d s PRO 52 Ca 0.34 1.77 -0.22 0.00 0.02 0.00 0.00 61.00 62.91 1k1d s PRO 52 Cb -0.10 -3.26 -0.14 0.00 0.02 0.00 0.00 34.50 31.02 1k1d s PRO 52 CO 0.29 0.03 0.40 0.41 -0.33 0.00 0.00 177.00 177.81 1k1d n GLY 53 N 2.02 -1.89 3.81 0.52 0.00 0.68 -4.77 105.19 105.56 1k1d n GLY 53 Ca 0.03 0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.96 1.89 -0.13 -0.02 0.00 0.24 -4.64 107.32 103.68 1k1d s GLY 54 Ca 0.62 0.25 -0.00 0.00 0.00 0.00 0.00 44.72 45.59 1k1d s GLY 54 CO 0.59 0.57 -0.10 -0.42 0.00 0.00 0.00 173.10 173.75 1k1d s ILE 55 N -2.75 1.24 -0.49 0.90 1.01 -0.57 -0.93 121.20 119.62 1k1d s ILE 55 Ca 0.61 -0.46 -0.14 0.00 0.00 0.00 0.00 60.65 60.66 1k1d s ILE 55 Cb -0.15 -1.24 0.10 0.00 0.01 0.00 0.00 42.46 41.18 1k1d s ILE 55 CO 0.47 0.38 0.41 -0.62 0.00 0.00 0.00 174.94 175.57 1k1d s ASP 56 N 1.62 6.04 0.00 3.58 -1.08 -0.33 -4.68 116.67 121.81 1k1d s ASP 56 Ca 0.04 -1.60 0.32 0.00 -0.52 0.00 0.00 52.55 50.79 1k1d s ASP 56 Cb -0.13 -2.14 1.84 0.00 -1.46 0.00 0.00 42.92 41.02 1k1d s ASP 56 CO -0.09 -0.72 2.19 -0.81 0.52 0.00 0.00 175.17 176.26 1k1d n PRO 57 N 5.14 0.98 -3.79 4.34 -0.04 -1.26 -1.12 135.00 139.26 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 32.25 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 -2.05 2.65 0.03 0.54 2.46 -1.26 -4.65 115.29 113.02 1k1d s HIS 58 Ca 0.46 -2.87 0.07 0.00 0.47 0.00 0.00 55.06 53.18 1k1d s HIS 58 Cb 0.22 -2.25 -0.02 0.00 -0.13 0.00 0.00 32.58 30.40 1k1d s HIS 58 CO 0.38 -0.71 -0.19 0.99 -2.47 0.00 0.00 174.74 172.74 1k1d s THR 59 N -0.38 1.53 -0.40 0.89 2.01 -1.18 -0.95 115.64 117.16 1k1d s THR 59 Ca 0.21 -1.07 0.02 0.00 0.31 0.00 0.00 61.69 61.17 1k1d s THR 59 Cb -0.16 -1.32 0.15 0.00 0.01 0.00 0.00 72.50 71.18 1k1d s THR 59 CO -0.07 0.23 0.27 -1.00 -0.69 0.00 0.00 174.62 173.36 1k1d s HIS 60 N -0.72 1.13 0.00 4.92 3.76 -0.59 -1.56 115.29 122.24 1k1d s HIS 60 Ca 0.06 -2.06 0.00 0.00 -0.15 0.00 0.00 55.06 52.92 1k1d s HIS 60 Cb -0.08 -1.11 0.00 0.00 1.11 0.00 0.00 32.58 32.50 1k1d s HIS 60 CO 0.01 -0.81 0.00 1.28 -0.85 0.00 0.00 174.74 174.37 1k1d n LEU 61 N 3.45 1.82 -0.58 0.89 4.77 -1.26 -4.29 117.00 121.80 1k1d n LEU 61 Ca 0.19 0.05 0.01 0.00 -0.03 0.00 0.00 56.01 56.23 1k1d n LEU 61 Cb 0.41 -0.07 0.05 0.00 -2.33 0.00 0.00 43.42 41.47 1k1d n LEU 61 CO 0.14 -0.07 0.36 -0.67 -1.33 0.00 0.00 177.39 175.82 1k1d n ASP 62 N -0.99 1.38 -4.77 -1.43 -0.08 -1.26 -4.40 116.55 105.00 1k1d n ASP 62 Ca 0.00 -2.09 -0.39 0.00 -1.51 0.00 0.00 54.79 50.80 1k1d n ASP 62 Cb 0.00 -0.44 -0.01 0.00 2.34 0.00 0.00 41.12 43.01 1k1d n ASP 62 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1k1d s MET 63 N -1.33 4.04 -0.34 -0.67 0.23 -1.26 -4.74 119.30 115.23 1k1d s MET 63 Ca 0.06 2.06 -0.11 0.00 -1.03 0.00 0.00 55.69 56.68 1k1d s MET 63 Cb 0.05 -2.77 0.00 0.00 -1.53 0.00 0.00 34.83 30.58 1k1d s MET 63 CO 0.02 -0.40 0.19 -2.14 -2.03 0.00 0.00 175.02 170.66 1k1d s PRO 64 N -2.19 3.20 -0.75 3.16 0.02 -1.26 -1.47 135.00 135.71 1k1d s PRO 64 Ca 0.56 -0.82 0.03 0.00 0.02 0.00 0.00 61.00 60.79 1k1d s PRO 64 Cb -0.36 -3.67 0.23 0.00 0.02 0.00 0.00 34.50 30.72 1k1d s PRO 64 CO 0.46 -0.52 0.77 -0.11 -0.33 0.00 0.00 177.00 177.28 1k1d n LEU 65 N 5.02 3.95 0.00 -5.54 7.94 -0.95 -4.96 117.00 122.45 1k1d n LEU 65 Ca -0.13 -5.32 0.00 0.00 -1.11 0.00 0.00 56.01 49.45 1k1d n LEU 65 Cb 0.48 -0.82 0.00 0.00 0.53 0.00 0.00 43.42 43.61 1k1d n LEU 65 CO 0.35 1.87 0.00 0.61 -1.11 0.00 0.00 177.39 179.11 1k1d n GLY 66 N 1.39 0.50 0.00 -3.96 0.00 -1.26 -4.54 105.19 97.33 1k1d n GLY 66 Ca 0.26 -2.05 0.15 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.97 3.76 -0.02 0.00 -1.26 -4.78 105.19 101.91 1k1d n GLY 67 Ca 0.00 -0.18 -0.28 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 -2.06 1.82 0.08 2.61 -1.32 -1.26 -5.16 115.64 110.35 1k1d s THR 68 Ca 0.44 -1.79 0.03 0.00 -1.21 0.00 0.00 61.69 59.15 1k1d s THR 68 Cb 0.21 -2.62 -0.03 0.00 -1.51 0.00 0.00 72.50 68.55 1k1d s THR 68 CO 0.36 0.00 -0.09 -0.69 -2.21 0.00 0.00 174.62 171.99 1k1d s VAL 69 N -2.73 0.77 0.15 5.08 1.01 -1.26 -2.24 120.40 121.18 1k1d s VAL 69 Ca 0.29 -1.46 -0.33 0.00 0.00 0.00 0.00 61.98 60.47 1k1d s VAL 69 Cb 0.03 -1.12 -0.16 0.00 0.00 0.00 0.00 36.38 35.12 1k1d s VAL 69 CO 0.16 -0.52 1.10 0.41 0.00 0.00 0.00 175.10 176.25 1k1d n THR 70 N 0.84 0.84 -0.16 3.92 -1.04 -0.54 -4.85 114.28 113.28 1k1d n THR 70 Ca -0.18 -0.21 -0.00 0.00 -2.04 0.00 0.00 64.05 61.62 1k1d n THR 70 Cb 0.57 -0.66 0.25 0.00 -1.82 0.00 0.00 70.33 68.66 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 3.17 0.88 -5.60 -2.82 1.63 -1.53 -3.40 116.57 108.90 1k1d h LYS 71 Ca -0.43 -0.09 -0.59 0.00 -0.85 0.00 0.00 60.65 58.69 1k1d h LYS 71 Cb 1.36 -0.18 -0.10 0.00 -0.60 0.00 0.00 32.23 32.72 1k1d h LYS 71 CO 0.69 0.65 -0.09 -0.51 -3.45 0.00 0.00 179.45 176.74 1k1d s ASP 72 N -6.47 6.60 0.29 4.20 1.01 -1.26 -4.83 116.67 116.20 1k1d s ASP 72 Ca -0.10 0.71 0.04 0.00 0.71 0.00 0.00 52.55 53.91 1k1d s ASP 72 Cb 0.17 -2.29 0.05 0.00 1.01 0.00 0.00 42.92 41.86 1k1d s ASP 72 CO 0.78 -0.11 0.38 -0.90 0.21 0.00 0.00 175.17 175.53 1k1d n ASP 73 N 4.35 0.95 0.32 0.27 5.75 -1.26 -4.18 116.55 122.74 1k1d n ASP 73 Ca -0.06 -1.70 0.21 0.00 -0.01 0.00 0.00 54.79 53.24 1k1d n ASP 73 Cb 0.51 -0.20 1.11 0.00 -1.03 0.00 0.00 41.12 41.50 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 0.01 0.00 0.00 2.11 -1.00 -1.85 -1.24 116.94 114.98 1k1d h PHE 74 Ca -0.13 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.64 1k1d h PHE 74 Cb 0.57 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.13 1k1d h PHE 74 CO 0.00 0.00 -0.16 1.49 -1.61 0.00 0.00 178.31 178.03 1k1d h GLU 75 N 0.00 0.00 -0.19 1.51 4.81 -1.88 -3.02 114.58 115.80 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 0.08 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1k1d h GLU 75 CO 0.00 0.28 0.11 0.66 -0.73 0.00 0.00 179.01 179.33 1k1d h SER 76 N -1.00 0.24 -0.83 1.04 4.64 -1.86 -2.45 113.55 113.32 1k1d h SER 76 Ca -0.02 -0.08 0.10 0.00 -0.47 0.00 0.00 61.79 61.32 1k1d h SER 76 Cb 0.38 -0.06 -0.08 0.00 -0.31 0.00 0.00 62.40 62.33 1k1d h SER 76 CO -0.01 0.25 0.47 1.23 -0.87 0.00 0.00 176.83 177.89 1k1d h GLY 77 N 0.21 1.31 0.96 -0.77 0.00 -1.40 0.18 103.07 103.55 1k1d h GLY 77 Ca 0.07 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 1k1d h GLY 77 CO -0.01 0.10 0.21 -0.84 0.00 0.00 0.00 176.54 175.99 1k1d h THR 78 N 0.76 1.17 -0.17 4.70 2.02 -1.35 -0.84 112.91 119.20 1k1d h THR 78 Ca 0.41 -0.46 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 1k1d h THR 78 Cb 0.42 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 1k1d h THR 78 CO -0.27 0.18 0.07 0.40 0.37 0.00 0.00 175.52 176.27 1k1d h ILE 79 N 0.52 1.15 0.14 3.11 2.04 -0.90 0.35 117.51 123.92 1k1d h ILE 79 Ca 0.14 -0.43 0.01 0.00 1.00 0.00 0.00 64.86 65.58 1k1d h ILE 79 Cb 0.10 1.12 -0.05 0.00 -0.74 0.00 0.00 36.82 37.25 1k1d h ILE 79 CO -0.02 0.14 -0.50 0.00 0.00 0.00 0.00 178.15 177.76 1k1d h ALA 80 N 0.93 -0.95 -0.96 1.87 0.00 -0.44 0.30 119.26 120.01 1k1d h ALA 80 Ca 0.06 -0.11 0.16 0.00 0.00 0.00 0.00 54.91 55.02 1k1d h ALA 80 Cb 0.15 0.85 -0.10 0.00 0.00 0.00 0.00 17.79 18.69 1k1d h ALA 80 CO -0.01 -1.10 0.57 0.00 0.00 0.00 0.00 179.25 178.72 1k1d h ALA 81 N -0.46 1.52 -0.51 0.00 0.00 -1.05 0.23 119.26 118.99 1k1d h ALA 81 Ca -0.00 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.02 1k1d h ALA 81 Cb 0.75 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 1k1d h ALA 81 CO -0.27 0.02 0.25 0.00 0.00 0.00 0.00 179.25 179.26 1k1d h ALA 82 N 1.59 0.65 -0.33 0.00 0.00 0.73 0.59 119.26 122.49 1k1d h ALA 82 Ca 0.53 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.38 1k1d h ALA 82 Cb 0.71 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1k1d h ALA 82 CO -0.34 -0.10 -0.15 0.74 0.00 0.00 0.00 179.25 179.40 1k1d h PHE 83 N 0.49 0.65 0.00 0.00 -1.00 0.62 -2.72 116.94 114.97 1k1d h PHE 83 Ca 0.23 -0.11 0.00 0.00 2.81 0.00 0.00 57.97 60.89 1k1d h PHE 83 Cb 0.15 -0.17 0.00 0.00 3.61 0.00 0.00 35.95 39.54 1k1d h PHE 83 CO -0.11 0.71 0.00 0.41 -1.61 0.00 0.00 178.31 177.71 1k1d n GLY 84 N -0.51 -0.73 0.75 -1.45 0.00 -0.09 -4.64 105.19 98.51 1k1d n GLY 84 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 0.24 0.77 3.69 -0.02 0.00 -0.89 -4.34 105.19 104.65 1k1d n GLY 85 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.25 5.38 -0.65 2.61 2.01 0.07 -0.60 115.64 122.21 1k1d s THR 86 Ca 0.00 0.19 0.06 0.00 0.31 0.00 0.00 61.69 62.24 1k1d s THR 86 Cb 0.00 -3.49 0.09 0.00 0.01 0.00 0.00 72.50 69.11 1k1d s THR 86 CO 0.00 0.39 0.84 0.35 -0.69 0.00 0.00 174.62 175.51 1k1d n THR 87 N 3.92 0.34 -3.69 -0.82 -2.24 -0.10 -3.02 114.28 108.67 1k1d n THR 87 Ca -0.15 -0.67 -0.10 0.00 -2.27 0.00 0.00 64.05 60.85 1k1d n THR 87 Cb 0.52 0.91 -0.11 0.00 -2.10 0.00 0.00 70.33 69.55 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 -0.67 -0.04 0.17 4.28 2.01 -1.11 -2.96 115.64 117.33 1k1d s THR 88 Ca 0.09 0.09 0.08 0.00 0.31 0.00 0.00 61.69 62.26 1k1d s THR 88 Cb 0.05 -0.63 -0.04 0.00 0.01 0.00 0.00 72.50 71.90 1k1d s THR 88 CO 0.08 0.04 -0.17 0.27 -0.69 0.00 0.00 174.62 174.15 1k1d s ILE 89 N 1.44 1.74 -0.31 1.82 -4.36 -0.91 -1.19 121.20 119.43 1k1d s ILE 89 Ca -0.09 -1.98 0.00 0.00 -0.26 0.00 0.00 60.65 58.32 1k1d s ILE 89 Cb -0.08 -1.86 0.10 0.00 1.25 0.00 0.00 42.46 41.86 1k1d s ILE 89 CO -0.13 -0.41 0.07 -0.63 0.24 0.00 0.00 174.94 174.09 1k1d s ILE 90 N -2.32 1.27 0.39 8.37 1.01 -0.27 -1.05 121.20 128.58 1k1d s ILE 90 Ca 0.17 -1.61 -0.12 0.00 0.00 0.00 0.00 60.65 59.09 1k1d s ILE 90 Cb -0.04 -1.92 -0.07 0.00 0.01 0.00 0.00 42.46 40.43 1k1d s ILE 90 CO 0.06 -0.61 0.77 -0.62 0.00 0.00 0.00 174.94 174.55 1k1d s ASP 91 N 1.43 6.61 -0.58 3.58 -1.08 -0.81 -3.10 116.67 122.71 1k1d s ASP 91 Ca 0.09 1.21 -0.22 0.00 -0.52 0.00 0.00 52.55 53.11 1k1d s ASP 91 Cb -0.18 -2.35 0.06 0.00 -1.46 0.00 0.00 42.92 38.99 1k1d s ASP 91 CO -0.19 -0.35 0.86 -0.36 0.52 0.00 0.00 175.17 175.65 1k1d s PHE 92 N -2.26 2.82 -0.50 -5.34 0.40 -0.60 -1.11 117.98 111.38 1k1d s PHE 92 Ca 0.53 -0.38 -0.28 0.00 -0.60 0.00 0.00 56.93 56.19 1k1d s PHE 92 Cb -0.10 -4.03 0.01 0.00 0.51 0.00 0.00 43.02 39.41 1k1d s PHE 92 CO 0.27 -1.38 1.45 0.00 0.70 0.00 0.00 175.22 176.25 1k1d s LEU 94 N 6.01 3.64 0.07 0.00 1.43 -1.26 -1.29 118.68 127.28 1k1d s LEU 94 Ca 0.57 2.04 0.06 0.00 -1.03 0.00 0.00 54.13 55.78 1k1d s LEU 94 Cb -0.12 -4.56 -0.03 0.00 0.03 0.00 0.00 46.19 41.50 1k1d s LEU 94 CO 0.28 -1.24 -0.17 -0.89 0.23 0.00 0.00 176.35 174.56 1k1d s THR 95 N -2.04 1.36 0.02 5.49 2.01 -1.26 -4.81 115.64 116.40 1k1d s THR 95 Ca 0.69 -1.31 0.05 0.00 0.31 0.00 0.00 61.69 61.43 1k1d s THR 95 Cb -0.21 -1.25 -0.03 0.00 0.01 0.00 0.00 72.50 71.02 1k1d s THR 95 CO 0.31 -0.08 -0.13 0.20 -0.69 0.00 0.00 174.62 174.23 1k1d s ASN 96 N -1.62 4.18 0.58 3.53 0.01 -1.26 -4.85 114.94 115.51 1k1d s ASN 96 Ca 0.02 -0.29 -0.19 0.00 -0.71 0.00 0.00 52.86 51.69 1k1d s ASN 96 Cb -0.09 -0.84 -0.04 0.00 0.41 0.00 0.00 41.25 40.69 1k1d s ASN 96 CO 0.03 0.27 1.22 -0.54 -1.51 0.00 0.00 177.10 176.57 1k1d s LYS 97 N -1.39 3.05 0.00 -0.60 1.02 -1.26 -2.92 119.74 117.63 1k1d s LYS 97 Ca 0.16 1.87 0.00 0.00 0.02 0.00 0.00 55.97 58.02 1k1d s LYS 97 Cb -0.11 -2.00 0.00 0.00 -0.52 0.00 0.00 37.83 35.20 1k1d s LYS 97 CO 0.06 -1.16 0.00 0.41 -0.92 0.00 0.00 175.35 173.74 1k1d n GLY 98 N 0.54 1.81 3.73 -3.33 0.00 -1.26 -4.94 105.19 101.74 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 4.46 0.20 1.61 2.12 -1.15 -5.02 118.70 120.93 1k1d s GLU 99 Ca 0.00 0.98 -0.33 0.00 0.36 0.00 0.00 54.97 55.99 1k1d s GLU 99 Cb 0.00 -3.41 -0.13 0.00 0.26 0.00 0.00 34.13 30.84 1k1d s GLU 99 CO 0.00 0.15 1.56 -0.35 -0.54 0.00 0.00 175.26 176.08 1k1d n PRO 100 N 3.39 2.27 -0.28 4.30 -0.04 -1.26 -4.73 135.00 138.65 1k1d n PRO 100 Ca -0.01 0.81 0.14 0.00 -0.04 0.00 0.00 63.50 64.40 1k1d n PRO 100 Cb 0.51 -2.57 0.40 0.00 -0.04 0.00 0.00 33.50 31.80 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 5.52 0.62 -1.12 1.53 3.38 -1.94 0.11 115.31 123.40 1k1d h LEU 101 Ca -0.45 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1k1d h LEU 101 Cb 1.25 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1k1d h LEU 101 CO 0.86 0.28 0.00 0.11 0.09 0.00 0.00 178.44 179.78 1k1d h LYS 102 N 0.64 0.00 0.70 1.13 1.57 -1.99 -2.05 116.57 116.57 1k1d h LYS 102 Ca 0.48 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.23 1k1d h LYS 102 Cb 0.87 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.19 1k1d h LYS 102 CO -0.23 0.00 -0.34 -0.22 -0.57 0.00 0.00 179.45 178.09 1k1d h LYS 103 N 0.00 -0.90 -0.46 3.15 1.63 -1.33 -2.53 116.57 116.13 1k1d h LYS 103 Ca 0.00 0.06 0.06 0.00 -0.85 0.00 0.00 60.65 59.92 1k1d h LYS 103 Cb 0.34 0.21 -0.05 0.00 -0.60 0.00 0.00 32.23 32.13 1k1d h LYS 103 CO 0.00 -0.60 0.16 0.00 -3.45 0.00 0.00 179.45 175.56 1k1d h ALA 104 N -1.30 0.55 -0.90 5.00 0.00 -1.56 -1.60 119.26 119.45 1k1d h ALA 104 Ca -0.10 0.06 0.16 0.00 0.00 0.00 0.00 54.91 55.03 1k1d h ALA 104 Cb 0.72 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.47 1k1d h ALA 104 CO 0.16 -0.23 0.58 0.82 0.00 0.00 0.00 179.25 180.58 1k1d h ILE 105 N 0.33 0.79 0.07 0.00 2.04 -1.38 0.43 117.51 119.78 1k1d h ILE 105 Ca 0.21 -0.21 -0.26 0.00 1.00 0.00 0.00 64.86 65.60 1k1d h ILE 105 Cb 0.21 0.11 0.01 0.00 -0.74 0.00 0.00 36.82 36.41 1k1d h ILE 105 CO -0.22 0.11 -1.10 -0.33 0.00 0.00 0.00 178.15 176.62 1k1d h GLU 106 N 0.63 0.40 -0.63 2.37 5.08 -0.93 -1.53 114.58 119.97 1k1d h GLU 106 Ca 0.46 -0.52 0.08 0.00 -1.00 0.00 0.00 59.36 58.37 1k1d h GLU 106 Cb 0.83 0.17 -0.06 0.00 0.50 0.00 0.00 28.75 30.19 1k1d h GLU 106 CO -0.21 1.19 0.29 1.15 -1.00 0.00 0.00 179.01 180.44 1k1d h THR 107 N 0.19 0.86 -0.27 1.13 2.02 -0.07 -0.20 112.91 116.57 1k1d h THR 107 Ca -0.12 -0.18 -0.06 0.00 0.77 0.00 0.00 66.41 66.82 1k1d h THR 107 Cb 1.77 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 68.46 1k1d h THR 107 CO 0.19 0.10 -0.07 -0.50 0.37 0.00 0.00 175.52 175.61 1k1d h TRP 108 N 0.53 0.59 -0.71 3.16 6.55 -0.98 -1.92 115.95 123.17 1k1d h TRP 108 Ca 0.30 -0.13 0.15 0.00 0.95 0.00 0.00 58.89 60.17 1k1d h TRP 108 Cb 0.29 -0.14 -0.04 0.00 -0.86 0.00 0.00 29.16 28.41 1k1d h TRP 108 CO -0.12 0.73 0.48 0.45 -1.05 0.00 0.00 178.44 178.93 1k1d h HIS 109 N 0.27 0.36 -0.14 0.49 3.86 -0.39 0.23 115.15 119.84 1k1d h HIS 109 Ca 0.07 0.01 -0.07 0.00 -1.16 0.00 0.00 60.37 59.22 1k1d h HIS 109 Cb 0.54 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 28.90 1k1d h HIS 109 CO 0.05 0.14 -0.19 -0.91 0.86 0.00 0.00 177.93 177.88 1k1d h ASN 110 N 0.31 0.40 -0.91 2.45 2.35 -0.61 0.45 115.58 120.03 1k1d h ASN 110 Ca 0.35 -0.52 0.15 0.00 -0.55 0.00 0.00 56.30 55.73 1k1d h ASN 110 Cb 0.92 -0.11 -0.10 0.00 0.05 0.00 0.00 38.32 39.08 1k1d h ASN 110 CO -0.09 0.84 0.51 0.11 -1.65 0.00 0.00 177.43 177.15 1k1d h LYS 111 N -0.03 0.68 0.14 0.81 1.57 -0.22 -2.93 116.57 116.60 1k1d h LYS 111 Ca 0.01 -0.04 -0.26 0.00 -1.87 0.00 0.00 60.65 58.49 1k1d h LYS 111 Cb 0.75 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 32.91 1k1d h LYS 111 CO 0.04 0.45 -1.30 0.00 -0.57 0.00 0.00 179.45 178.08 1k1d h ALA 112 N 1.58 0.08 -0.52 3.86 0.00 -1.22 -3.41 119.26 119.63 1k1d h ALA 112 Ca 0.50 -0.98 -0.51 0.00 0.00 0.00 0.00 54.91 53.92 1k1d h ALA 112 Cb 0.70 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1k1d h ALA 112 CO -0.36 0.72 0.45 0.09 0.00 0.00 0.00 179.25 180.15 1k1d n ASN 113 N -3.93 0.68 0.00 0.00 3.02 0.16 -0.93 115.26 114.26 1k1d n ASN 113 Ca -0.22 0.66 0.00 0.00 -0.03 0.00 0.00 54.58 55.00 1k1d n ASN 113 Cb 0.91 -0.52 0.00 0.00 -0.61 0.00 0.00 39.78 39.56 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 2.61 0.07 0.00 7.41 0.00 -1.26 -4.74 105.19 109.27 1k1d n GLY 114 Ca 0.20 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.22 1.07 -2.29 1.61 5.02 -0.10 -2.02 118.16 121.22 1k1d n LYS 115 Ca 0.00 -0.05 -0.42 0.00 -2.02 0.00 0.00 58.31 55.82 1k1d n LYS 115 Cb 0.31 -1.11 -0.03 0.00 -0.02 0.00 0.00 35.03 34.18 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 -2.35 3.49 -0.14 7.82 0.00 -1.15 -4.05 121.76 125.38 1k1d s ALA 116 Ca -0.02 1.02 0.18 0.00 0.00 0.00 0.00 51.96 53.14 1k1d s ALA 116 Cb 0.05 -3.47 -0.14 0.00 0.00 0.00 0.00 23.12 19.56 1k1d s ALA 116 CO 0.31 -0.49 0.76 0.28 0.00 0.00 0.00 175.76 176.62 1k1d n VAL 117 N 3.13 1.00 -4.48 0.00 0.31 -1.26 0.16 118.33 117.19 1k1d n VAL 117 Ca 0.07 -0.66 -0.23 0.00 -0.01 0.00 0.00 64.34 63.51 1k1d n VAL 117 Cb 0.44 -0.58 -0.10 0.00 -0.91 0.00 0.00 33.84 32.69 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 -3.02 0.97 0.72 2.52 -4.36 -1.26 -3.62 121.20 113.15 1k1d s ILE 118 Ca -0.04 -2.00 -0.11 0.00 -0.26 0.00 0.00 60.65 58.24 1k1d s ILE 118 Cb 0.09 -2.61 0.03 0.00 1.25 0.00 0.00 42.46 41.21 1k1d s ILE 118 CO 0.82 0.00 1.08 -1.81 0.24 0.00 0.00 174.94 175.26 1k1d s ASP 119 N -3.54 5.01 0.23 4.36 1.01 -1.15 -4.07 116.67 118.52 1k1d s ASP 119 Ca 0.31 1.73 -0.18 0.00 0.71 0.00 0.00 52.55 55.12 1k1d s ASP 119 Cb 0.06 -2.51 0.02 0.00 1.01 0.00 0.00 42.92 41.51 1k1d s ASP 119 CO 0.15 -1.69 0.59 -0.72 0.21 0.00 0.00 175.17 173.70 1k1d s TYR 120 N -2.92 -0.11 0.18 4.23 1.13 -0.96 -2.14 117.35 116.76 1k1d s TYR 120 Ca 0.60 -0.26 0.00 0.00 -1.41 0.00 0.00 57.07 56.00 1k1d s TYR 120 Cb -0.16 0.48 -0.00 0.00 -1.10 0.00 0.00 41.96 41.18 1k1d s TYR 120 CO 0.54 -1.03 0.23 0.41 -2.51 0.00 0.00 175.55 173.19 1k1d n GLY 121 N -0.39 2.84 3.22 5.49 0.00 -0.22 0.35 105.19 116.48 1k1d n GLY 121 Ca -0.07 -1.58 -0.13 0.00 0.00 0.00 0.00 46.02 44.24 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 -3.58 1.10 0.01 1.61 0.08 -1.26 -1.91 117.98 114.03 1k1d s PHE 122 Ca 0.17 -0.96 0.08 0.00 0.12 0.00 0.00 56.93 56.33 1k1d s PHE 122 Cb -0.00 -0.62 -0.03 0.00 -0.57 0.00 0.00 43.02 41.80 1k1d s PHE 122 CO 0.12 -0.17 -0.24 -1.01 -0.10 0.00 0.00 175.22 173.83 1k1d s HIS 123 N -3.62 2.40 -0.23 0.36 3.76 -0.27 -4.68 115.29 113.01 1k1d s HIS 123 Ca 0.19 -0.37 -0.09 0.00 -0.15 0.00 0.00 55.06 54.64 1k1d s HIS 123 Cb 0.05 -1.47 -0.04 0.00 1.11 0.00 0.00 32.58 32.23 1k1d s HIS 123 CO 0.01 0.08 0.10 -1.17 -0.85 0.00 0.00 174.74 172.91 1k1d s LEU 124 N -0.95 3.79 0.43 0.89 2.96 -0.92 -0.28 118.68 124.60 1k1d s LEU 124 Ca 0.11 -0.02 -0.23 0.00 -0.22 0.00 0.00 54.13 53.77 1k1d s LEU 124 Cb -0.10 -2.00 -0.09 0.00 0.50 0.00 0.00 46.19 44.50 1k1d s LEU 124 CO 0.01 0.05 1.05 -0.32 -1.32 0.00 0.00 176.35 175.83 1k1d s MET 125 N 1.13 4.04 -0.08 1.98 -2.45 -0.41 -4.39 119.30 119.12 1k1d s MET 125 Ca 0.05 1.49 -0.01 0.00 -1.25 0.00 0.00 55.69 55.98 1k1d s MET 125 Cb -0.14 -2.41 0.03 0.00 1.25 0.00 0.00 34.83 33.55 1k1d s MET 125 CO 0.04 -0.25 -0.02 0.42 1.05 0.00 0.00 175.02 176.27 1k1d s ILE 126 N -1.74 0.51 -0.44 10.11 1.01 -1.26 -4.48 121.20 124.91 1k1d s ILE 126 Ca 0.61 0.02 0.06 0.00 0.00 0.00 0.00 60.65 61.34 1k1d s ILE 126 Cb -0.21 -0.63 -0.02 0.00 0.01 0.00 0.00 42.46 41.61 1k1d s ILE 126 CO 0.26 0.28 0.39 -1.54 0.00 0.00 0.00 174.94 174.33 1k1d n SER 127 N 4.98 0.69 -3.58 3.58 3.41 -1.26 -4.60 113.62 116.85 1k1d n SER 127 Ca -0.10 -0.85 -0.11 0.00 -0.26 0.00 0.00 58.87 57.55 1k1d n SER 127 Cb 0.50 0.66 -0.05 0.00 -0.26 0.00 0.00 64.21 65.06 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 -1.19 0.62 -0.42 4.33 -1.05 -1.26 -4.77 118.70 114.95 1k1d s GLU 128 Ca 0.04 0.17 -0.04 0.00 -0.15 0.00 0.00 54.97 54.99 1k1d s GLU 128 Cb 0.05 0.29 0.11 0.00 -0.44 0.00 0.00 34.13 34.14 1k1d s GLU 128 CO 0.18 -0.19 0.23 0.96 0.95 0.00 0.00 175.26 177.39 1k1d s ILE 129 N -1.05 3.52 0.29 1.83 -4.36 -1.26 -4.95 121.20 115.21 1k1d s ILE 129 Ca -0.02 -1.95 0.07 0.00 -0.26 0.00 0.00 60.65 58.49 1k1d s ILE 129 Cb -0.01 -3.37 -0.03 0.00 1.25 0.00 0.00 42.46 40.31 1k1d s ILE 129 CO 0.02 -0.68 0.25 -0.89 0.24 0.00 0.00 174.94 173.88 1k1d s THR 130 N 1.21 4.10 0.39 8.37 2.01 -1.26 -4.96 115.64 125.50 1k1d s THR 130 Ca 0.07 -1.36 0.06 0.00 0.31 0.00 0.00 61.69 60.77 1k1d s THR 130 Cb -0.23 -3.34 0.26 0.00 0.01 0.00 0.00 72.50 69.20 1k1d s THR 130 CO -0.03 -0.27 2.04 0.44 -0.69 0.00 0.00 174.62 176.11 1k1d h ASP 131 N 1.35 0.53 -0.58 3.53 3.32 -1.98 0.23 116.42 122.82 1k1d h ASP 131 Ca -0.47 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 56.48 1k1d h ASP 131 Cb 1.25 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.64 1k1d h ASP 131 CO 0.59 0.40 0.06 0.44 -1.72 0.00 0.00 179.24 179.01 1k1d h ASP 132 N 0.62 0.98 -0.13 6.45 3.32 -2.00 -2.01 116.42 123.66 1k1d h ASP 132 Ca 0.17 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 56.95 1k1d h ASP 132 Cb -0.05 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.23 1k1d h ASP 132 CO -0.03 1.00 0.00 0.58 -1.72 0.00 0.00 179.24 179.07 1k1d h VAL 133 N 0.95 1.25 -0.30 -1.35 2.07 -1.27 -2.52 116.25 115.07 1k1d h VAL 133 Ca 0.18 -0.81 0.09 0.00 0.82 0.00 0.00 66.70 66.98 1k1d h VAL 133 Cb 0.47 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 1k1d h VAL 133 CO 0.02 0.24 0.22 -0.07 0.02 0.00 0.00 177.57 178.00 1k1d h LEU 134 N -0.02 0.00 -0.15 2.57 3.38 -0.43 -0.97 115.31 119.69 1k1d h LEU 134 Ca 0.04 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.78 1k1d h LEU 134 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1k1d h LEU 134 CO 0.01 0.00 -0.98 -0.33 0.09 0.00 0.00 178.44 177.23 1k1d h GLU 135 N 0.00 0.36 0.05 1.13 5.08 -1.10 -3.35 114.58 116.74 1k1d h GLU 135 Ca 0.14 -0.41 -0.16 0.00 -1.00 0.00 0.00 59.36 57.93 1k1d h GLU 135 Cb 0.58 0.12 0.02 0.00 0.50 0.00 0.00 28.75 29.97 1k1d h GLU 135 CO -0.00 1.10 -0.65 0.93 -1.00 0.00 0.00 179.01 179.39 1k1d h GLU 136 N 0.19 0.36 -0.87 2.33 5.08 -0.84 -3.38 114.58 117.45 1k1d h GLU 136 Ca -0.08 -0.45 0.10 0.00 -1.00 0.00 0.00 59.36 57.93 1k1d h GLU 136 Cb 1.62 0.14 -0.12 0.00 0.50 0.00 0.00 28.75 30.90 1k1d h GLU 136 CO 0.16 1.14 -0.46 1.28 -1.00 0.00 0.00 179.01 180.14 1k1d n LEU 137 N -4.21 -0.80 -0.29 1.33 4.77 -0.48 0.88 117.00 118.20 1k1d n LEU 137 Ca -0.11 1.53 0.11 0.00 -0.03 0.00 0.00 56.01 57.51 1k1d n LEU 137 Cb 0.71 -0.25 0.36 0.00 -2.33 0.00 0.00 43.42 41.91 1k1d n LEU 137 CO 0.47 -1.29 1.22 1.55 -1.33 0.00 0.00 177.39 178.01 1k1d h PRO 138 N 0.00 0.71 -0.25 3.23 0.13 -1.75 0.93 132.00 135.00 1k1d h PRO 138 Ca 0.19 -0.04 -0.17 0.00 -0.87 0.00 0.00 66.00 65.11 1k1d h PRO 138 Cb 0.41 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 31.38 1k1d h PRO 138 CO -0.83 0.47 -0.52 0.87 -0.23 0.00 0.00 178.00 177.77 1k1d h LYS 139 N 0.73 0.79 -0.10 0.86 1.57 0.32 -2.59 116.57 118.15 1k1d h LYS 139 Ca 0.46 -0.52 0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1k1d h LYS 139 Cb 0.71 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.08 1k1d h LYS 139 CO -0.22 1.15 0.13 0.28 -0.57 0.00 0.00 179.45 180.21 1k1d h VAL 140 N 0.55 0.45 0.00 0.50 2.07 0.26 0.18 116.25 120.25 1k1d h VAL 140 Ca 0.01 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 1k1d h VAL 140 Cb 1.13 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 -0.02 -0.07 0.02 0.00 0.00 177.57 177.61 1k1d h LEU 141 N 0.00 0.00 0.72 2.57 3.38 -0.74 -3.13 115.31 118.12 1k1d h LEU 141 Ca 0.05 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 1k1d h LEU 141 Cb 0.30 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.06 1k1d h LEU 141 CO -0.00 0.66 -0.35 -0.33 0.09 0.00 0.00 178.44 178.51 1k1d h GLU 142 N -1.00 -0.94 -5.55 1.13 3.07 -1.13 -3.38 114.58 106.78 1k1d h GLU 142 Ca -0.00 0.06 -0.60 0.00 -0.50 0.00 0.00 59.36 58.32 1k1d h GLU 142 Cb 0.31 0.21 -0.11 0.00 -0.84 0.00 0.00 28.75 28.33 1k1d h GLU 142 CO -0.00 -0.61 0.09 -2.00 -1.40 0.00 0.00 179.01 175.09 1k1d s GLU 143 N -4.97 4.16 0.00 2.33 2.56 0.61 -4.58 118.70 118.80 1k1d s GLU 143 Ca -0.15 0.52 0.00 0.00 0.00 0.00 0.00 54.97 55.34 1k1d s GLU 143 Cb 0.02 -3.61 0.00 0.00 2.00 0.00 0.00 34.13 32.54 1k1d s GLU 143 CO 0.48 -0.30 0.00 -1.91 -0.56 0.00 0.00 175.26 172.97 1k1d n GLU 144 N 5.29 0.00 -0.55 4.30 4.07 -1.26 -4.02 120.64 128.47 1k1d n GLU 144 Ca -0.02 0.40 -0.06 0.00 -0.06 0.00 0.00 57.16 57.41 1k1d n GLU 144 Cb 0.50 -0.43 -0.09 0.00 -0.06 0.00 0.00 31.44 31.36 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 0.59 2.10 3.43 8.31 0.00 -1.26 -4.05 105.19 114.32 1k1d n GLY 145 Ca 0.00 -0.63 -0.44 0.00 0.00 0.00 0.00 46.02 44.95 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 1.76 4.60 -0.38 -0.61 -1.09 -1.18 -0.61 121.20 123.70 1k1d s ILE 146 Ca 0.35 -1.00 0.15 0.00 -2.23 0.00 0.00 60.65 57.92 1k1d s ILE 146 Cb 0.17 -4.68 0.48 0.00 -1.58 0.00 0.00 42.46 36.84 1k1d s ILE 146 CO 0.00 -1.41 1.38 0.35 -1.23 0.00 0.00 174.94 174.03 1k1d n THR 147 N 5.64 1.95 -3.72 2.92 -2.24 -1.26 -4.20 114.28 113.37 1k1d n THR 147 Ca 0.06 -1.64 -0.28 0.00 -2.27 0.00 0.00 64.05 59.93 1k1d n THR 147 Cb 0.46 -0.05 -0.16 0.00 -2.10 0.00 0.00 70.33 68.48 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 -1.67 3.04 0.51 3.42 1.04 -1.26 -1.37 113.70 117.41 1k1d s SER 148 Ca 0.37 -0.92 0.03 0.00 0.48 0.00 0.00 55.95 55.91 1k1d s SER 148 Cb 0.28 -0.60 0.03 0.00 0.10 0.00 0.00 66.02 65.83 1k1d s SER 148 CO 0.11 -0.32 0.72 -0.76 0.98 0.00 0.00 173.24 173.96 1k1d s LEU 149 N 1.85 3.38 0.00 2.42 1.43 -0.80 -2.17 118.68 124.79 1k1d s LEU 149 Ca 0.01 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 1k1d s LEU 149 Cb -0.17 -2.81 0.00 0.00 0.03 0.00 0.00 46.19 43.24 1k1d s LEU 149 CO -0.11 -1.04 0.00 0.52 0.23 0.00 0.00 176.35 175.95 1k1d n VAL 151 N -2.21 0.00 -3.34 -1.59 0.31 0.35 -1.06 118.33 110.79 1k1d n VAL 151 Ca 0.08 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 64.02 1k1d n VAL 151 Cb 0.59 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.45 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 -0.23 3.33 -0.99 3.52 0.40 -1.26 -1.30 117.98 121.45 1k1d s PHE 152 Ca 0.00 0.60 0.24 0.00 -0.60 0.00 0.00 56.93 57.17 1k1d s PHE 152 Cb 0.00 -2.59 0.37 0.00 0.51 0.00 0.00 43.02 41.31 1k1d s PHE 152 CO 0.00 -0.11 1.32 -1.33 0.70 0.00 0.00 175.22 175.80 1k1d n MET 153 N 4.86 0.01 -1.75 0.44 2.81 -0.64 -1.76 117.12 121.09 1k1d n MET 153 Ca -0.07 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.82 1k1d n MET 153 Cb 0.51 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.51 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 -1.51 0.00 -2.84 3.04 0.00 -1.13 -2.34 120.51 115.73 1k1d n ALA 154 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.38 1k1d n ALA 154 Cb 0.34 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.84 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 -0.03 -1.56 -1.55 0.00 4.01 -1.26 -2.83 117.16 113.93 1k1d n TYR 155 Ca 0.00 0.61 -0.43 0.00 -0.16 0.00 0.00 57.90 57.92 1k1d n TYR 155 Cb 0.00 -3.87 -0.00 0.00 -0.31 0.00 0.00 39.34 35.16 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 -2.91 1.09 -2.40 -0.72 4.81 -1.26 -1.75 118.16 115.01 1k1d n LYS 156 Ca -0.13 0.39 -0.18 0.00 -0.87 0.00 0.00 58.31 57.52 1k1d n LYS 156 Cb 0.60 -1.77 -0.01 0.00 0.02 0.00 0.00 35.03 33.87 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 1.08 -5.14 0.00 3.14 3.02 -1.26 -4.69 115.26 111.41 1k1d n ASN 157 Ca 0.10 0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.73 1k1d n ASN 157 Cb 0.35 -4.31 0.00 0.00 -0.61 0.00 0.00 39.78 35.21 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 -3.74 0.00 0.00 2.41 0.31 -0.72 -4.99 118.33 111.60 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 0.66 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.59 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 -1.12 0.00 -1.41 3.52 3.01 -0.74 -5.12 117.46 115.59 1k1d n PHE 159 Ca 0.00 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.06 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 -0.36 0.42 -3.98 -1.08 7.27 -1.04 -4.31 117.38 114.29 1k1d n GLN 160 Ca 0.00 0.16 -0.13 0.00 0.07 0.00 0.00 57.00 57.10 1k1d n GLN 160 Cb 0.00 -1.43 -0.14 0.00 2.41 0.00 0.00 30.24 31.08 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 -1.63 0.18 0.90 1.69 0.00 -0.72 -4.85 121.76 117.33 1k1d s ALA 161 Ca 0.63 -0.16 -0.12 0.00 0.00 0.00 0.00 51.96 52.32 1k1d s ALA 161 Cb -0.55 -0.02 0.13 0.00 0.00 0.00 0.00 23.12 22.68 1k1d s ALA 161 CO 0.59 0.02 1.10 0.16 0.00 0.00 0.00 175.76 177.62 1k1d s ASP 162 N -0.23 3.45 0.58 0.00 1.47 -1.26 -4.77 116.67 115.91 1k1d s ASP 162 Ca -0.01 1.34 0.27 0.00 1.18 0.00 0.00 52.55 55.33 1k1d s ASP 162 Cb -0.02 -2.02 1.70 0.00 -0.34 0.00 0.00 42.92 42.24 1k1d s ASP 162 CO -0.00 -2.63 2.23 0.44 0.68 0.00 0.00 175.17 175.89 1k1d h ASP 163 N -1.55 0.00 -0.40 2.11 3.32 -2.00 -0.69 116.42 117.22 1k1d h ASP 163 Ca -0.50 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.49 1k1d h ASP 163 Cb 1.30 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.83 1k1d h ASP 163 CO 0.57 0.00 0.04 1.23 -1.72 0.00 0.00 179.24 179.36 1k1d h GLY 164 N 0.00 0.73 0.91 2.75 0.00 -1.98 0.77 103.07 106.26 1k1d h GLY 164 Ca 0.00 -0.51 -0.05 0.00 0.00 0.00 0.00 47.33 46.78 1k1d h GLY 164 CO -0.00 0.47 0.04 -0.84 0.00 0.00 0.00 176.54 176.21 1k1d h THR 165 N 0.52 1.25 -0.02 4.70 2.02 -1.51 -0.54 112.91 119.32 1k1d h THR 165 Ca 0.12 -0.89 -0.00 0.00 0.77 0.00 0.00 66.41 66.41 1k1d h THR 165 Cb 0.41 1.13 -0.00 0.00 -1.74 0.00 0.00 68.15 67.95 1k1d h THR 165 CO 0.01 0.30 0.01 0.25 0.37 0.00 0.00 175.52 176.46 1k1d h LEU 166 N 0.43 0.03 -0.08 2.58 5.85 -0.99 -1.03 115.31 122.09 1k1d h LEU 166 Ca 0.11 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.81 1k1d h LEU 166 Cb 0.39 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 1k1d h LEU 166 CO 0.01 0.05 -0.03 0.22 -0.34 0.00 0.00 178.44 178.35 1k1d h TYR 167 N 0.00 -0.08 -0.00 1.25 5.03 0.73 -0.42 116.97 123.48 1k1d h TYR 167 Ca 0.01 0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.28 1k1d h TYR 167 Cb 0.03 0.05 -0.01 0.00 1.55 0.00 0.00 36.73 38.35 1k1d h TYR 167 CO -0.07 -0.06 -0.23 0.00 -1.32 0.00 0.00 178.16 176.49 1k1d h THR 169 N 0.00 1.25 -0.78 0.00 2.02 -0.63 0.69 112.91 115.46 1k1d h THR 169 Ca -0.00 -0.88 0.06 0.00 0.77 0.00 0.00 66.41 66.36 1k1d h THR 169 Cb 0.40 1.21 -0.06 0.00 -1.74 0.00 0.00 68.15 67.97 1k1d h THR 169 CO 0.03 0.29 0.47 -0.07 0.37 0.00 0.00 175.52 176.61 1k1d h LEU 170 N 0.35 0.72 0.51 2.58 3.38 -0.28 0.34 115.31 122.91 1k1d h LEU 170 Ca 0.09 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1k1d h LEU 170 Cb 0.39 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1k1d h LEU 170 CO 0.01 0.46 -0.24 -0.07 0.09 0.00 0.00 178.44 178.69 1k1d h LEU 171 N 0.86 -0.58 -0.74 1.67 3.38 -1.00 0.42 115.31 119.32 1k1d h LEU 171 Ca 0.35 -0.06 0.17 0.00 0.09 0.00 0.00 57.88 58.42 1k1d h LEU 171 Cb 0.18 0.15 -0.13 0.00 0.09 0.00 0.00 40.66 40.96 1k1d h LEU 171 CO -0.18 -0.25 0.04 0.00 0.09 0.00 0.00 178.44 178.14 1k1d h ALA 172 N -0.57 0.82 -0.01 1.53 0.00 -0.52 0.11 119.26 120.62 1k1d h ALA 172 Ca -0.07 0.22 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1k1d h ALA 172 Cb 0.61 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1k1d h ALA 172 CO 0.11 -0.41 -0.06 0.00 0.00 0.00 0.00 179.25 178.89 1k1d h ALA 173 N 1.68 -0.06 -0.57 0.00 0.00 -0.08 0.73 119.26 120.96 1k1d h ALA 173 Ca 0.41 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.38 1k1d h ALA 173 Cb 0.72 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 1k1d h ALA 173 CO -0.63 -0.55 0.30 -0.22 0.00 0.00 0.00 179.25 178.15 1k1d h LYS 174 N -0.11 0.57 0.68 0.00 3.64 0.59 0.58 116.57 122.53 1k1d h LYS 174 Ca 0.03 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1k1d h LYS 174 Cb 0.15 -0.13 0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1k1d h LYS 174 CO -0.07 0.37 -0.33 1.49 -2.27 0.00 0.00 179.45 178.64 1k1d h GLU 175 N 0.58 -0.88 0.00 1.90 4.81 -0.35 -3.25 114.58 117.39 1k1d h GLU 175 Ca 0.25 0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.50 1k1d h GLU 175 Cb 0.14 0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 1k1d h GLU 175 CO -0.16 -0.56 -0.18 -0.07 -0.73 0.00 0.00 179.01 177.31 1k1d h LEU 176 N -1.10 0.00 -0.87 1.64 3.38 0.57 -3.47 115.31 115.46 1k1d h LEU 176 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1k1d h LEU 176 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1k1d h LEU 176 CO 0.15 0.18 0.00 0.61 0.09 0.00 0.00 178.44 179.47 1k1d n GLY 177 N 0.10 0.50 3.39 0.83 0.00 0.18 -5.05 105.19 105.13 1k1d n GLY 177 Ca 0.00 -0.22 -0.20 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.88 2.16 -0.18 4.61 0.00 0.05 -4.02 121.76 122.50 1k1d s ALA 178 Ca 0.00 -1.79 -0.07 0.00 0.00 0.00 0.00 51.96 50.10 1k1d s ALA 178 Cb 0.00 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 1k1d s ALA 178 CO 0.00 -0.03 0.04 -1.17 0.00 0.00 0.00 175.76 174.60 1k1d s LEU 179 N -3.38 3.65 -0.14 0.00 2.96 -0.47 -4.41 118.68 116.89 1k1d s LEU 179 Ca 0.27 0.01 -0.22 0.00 -0.22 0.00 0.00 54.13 53.97 1k1d s LEU 179 Cb 0.02 -1.92 -0.03 0.00 0.50 0.00 0.00 46.19 44.76 1k1d s LEU 179 CO 0.10 0.16 0.65 -0.69 -1.32 0.00 0.00 176.35 175.24 1k1d s VAL 180 N 0.47 5.04 0.11 1.68 1.01 -1.10 -1.91 120.40 125.69 1k1d s VAL 180 Ca 0.01 1.28 0.04 0.00 0.00 0.00 0.00 61.98 63.32 1k1d s VAL 180 Cb -0.13 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 1k1d s VAL 180 CO 0.01 0.18 0.10 -0.04 0.00 0.00 0.00 175.10 175.35 1k1d s MET 181 N 1.37 2.88 -0.04 2.72 1.00 -0.23 -1.53 119.30 125.48 1k1d s MET 181 Ca 0.32 -0.75 -0.04 0.00 0.00 0.00 0.00 55.69 55.22 1k1d s MET 181 Cb -0.16 -2.70 0.02 0.00 0.00 0.00 0.00 34.83 31.98 1k1d s MET 181 CO 0.13 0.54 0.11 0.08 0.00 0.00 0.00 175.02 175.88 1k1d s VAL 182 N -1.51 -0.01 -0.65 -6.03 1.01 -0.80 -0.49 120.40 111.92 1k1d s VAL 182 Ca 0.30 0.03 -0.16 0.00 0.00 0.00 0.00 61.98 62.16 1k1d s VAL 182 Cb -0.11 -0.17 0.16 0.00 0.00 0.00 0.00 36.38 36.25 1k1d s VAL 182 CO 0.22 0.01 0.62 -2.28 0.00 0.00 0.00 175.10 173.68 1k1d s HIS 183 N 0.26 3.41 -1.02 5.22 2.46 -0.42 -1.94 115.29 123.26 1k1d s HIS 183 Ca -0.02 -1.51 -0.20 0.00 0.47 0.00 0.00 55.06 53.80 1k1d s HIS 183 Cb -0.03 -3.83 0.09 0.00 -0.13 0.00 0.00 32.58 28.68 1k1d s HIS 183 CO -0.01 -1.04 1.35 0.00 -2.47 0.00 0.00 174.74 172.57 1k1d s ALA 184 N 1.21 3.11 -0.07 1.58 0.00 -1.26 -1.62 121.76 124.71 1k1d s ALA 184 Ca 0.09 -2.60 -0.06 0.00 0.00 0.00 0.00 51.96 49.40 1k1d s ALA 184 Cb -0.22 -4.33 0.03 0.00 0.00 0.00 0.00 23.12 18.60 1k1d s ALA 184 CO -0.01 -3.29 0.19 -1.21 0.00 0.00 0.00 175.76 171.44 1k1d s GLU 185 N 3.79 0.19 -0.98 0.00 2.02 -1.26 -4.34 118.70 118.12 1k1d s GLU 185 Ca 0.41 0.32 -0.24 0.00 0.02 0.00 0.00 54.97 55.48 1k1d s GLU 185 Cb -0.02 0.02 -0.02 0.00 0.10 0.00 0.00 34.13 34.21 1k1d s GLU 185 CO -0.07 -0.07 1.81 1.21 0.02 0.00 0.00 175.26 178.15 1k1d s ASN 186 N 0.46 5.56 0.23 -0.19 3.84 -1.01 -2.85 114.94 120.99 1k1d s ASN 186 Ca -0.03 -1.05 -0.06 0.00 0.21 0.00 0.00 52.86 51.93 1k1d s ASN 186 Cb -0.04 -2.57 0.39 0.00 -0.55 0.00 0.00 41.25 38.48 1k1d s ASN 186 CO -0.02 -2.39 1.71 1.23 -2.79 0.00 0.00 177.10 174.85 1k1d h GLY 187 N 16.31 0.98 0.96 1.21 0.00 -1.80 -1.57 103.07 119.16 1k1d h GLY 187 Ca 0.15 -0.09 0.03 0.00 0.00 0.00 0.00 47.33 47.42 1k1d h GLY 187 CO 1.28 -0.12 0.63 -0.55 0.00 0.00 0.00 176.54 177.78 1k1d h ASP 188 N 0.35 1.05 0.03 0.19 3.32 -1.88 -0.33 116.42 119.15 1k1d h ASP 188 Ca 0.38 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.32 1k1d h ASP 188 Cb 0.57 -0.25 0.01 0.00 0.22 0.00 0.00 39.33 39.89 1k1d h ASP 188 CO -0.42 0.73 -0.38 0.58 -1.72 0.00 0.00 179.24 178.04 1k1d h VAL 189 N 1.23 1.56 -0.91 -1.35 2.07 -1.90 -3.07 116.25 113.88 1k1d h VAL 189 Ca 0.37 -2.14 0.21 0.00 0.82 0.00 0.00 66.70 65.97 1k1d h VAL 189 Cb -0.03 2.91 -0.07 0.00 -1.52 0.00 0.00 31.29 32.59 1k1d h VAL 189 CO -0.11 0.59 0.60 0.40 0.02 0.00 0.00 177.57 179.07 1k1d h ILE 190 N -0.48 0.67 0.66 4.57 2.04 -1.12 -1.49 117.51 122.35 1k1d h ILE 190 Ca -0.05 -0.14 -0.03 0.00 1.00 0.00 0.00 64.86 65.64 1k1d h ILE 190 Cb 1.18 0.24 0.01 0.00 -0.74 0.00 0.00 36.82 37.50 1k1d h ILE 190 CO 0.07 0.07 -0.32 -0.78 0.00 0.00 0.00 178.15 177.20 1k1d h ASP 191 N 0.39 -0.75 -0.63 1.72 1.82 -1.01 0.14 116.42 118.11 1k1d h ASP 191 Ca 0.47 0.02 0.03 0.00 -0.39 0.00 0.00 57.03 57.16 1k1d h ASP 191 Cb 1.20 0.19 -0.04 0.00 0.68 0.00 0.00 39.33 41.36 1k1d h ASP 191 CO -0.18 -0.52 0.39 1.88 -1.61 0.00 0.00 179.24 179.20 1k1d h TYR 192 N -0.92 0.72 -0.44 0.28 -1.99 -1.23 -0.29 116.97 113.10 1k1d h TYR 192 Ca -0.09 0.02 0.05 0.00 2.00 0.00 0.00 58.73 60.71 1k1d h TYR 192 Cb 0.69 -0.24 -0.05 0.00 2.00 0.00 0.00 36.73 39.14 1k1d h TYR 192 CO -0.02 0.41 0.17 -0.07 -0.00 0.00 0.00 178.16 178.65 1k1d h LEU 193 N 0.76 0.20 0.22 3.88 3.38 -1.18 0.49 115.31 123.06 1k1d h LEU 193 Ca 0.25 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.27 1k1d h LEU 193 Cb 0.02 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1k1d h LEU 193 CO -0.10 0.15 -0.18 0.74 0.09 0.00 0.00 178.44 179.13 1k1d h THR 194 N 0.35 0.60 -0.32 0.22 2.02 0.03 0.23 112.91 116.04 1k1d h THR 194 Ca 0.20 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.43 1k1d h THR 194 Cb 0.18 0.60 -0.05 0.00 -1.74 0.00 0.00 68.15 67.14 1k1d h THR 194 CO -0.19 0.00 0.03 0.11 0.37 0.00 0.00 175.52 175.83 1k1d h LYS 195 N -0.42 0.12 -0.61 6.66 1.57 -0.71 -2.37 116.57 120.82 1k1d h LYS 195 Ca -0.01 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1k1d h LYS 195 Cb 0.38 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 1k1d h LYS 195 CO -0.02 0.08 0.29 -0.22 -0.57 0.00 0.00 179.45 179.01 1k1d h LYS 196 N 0.13 0.88 -0.32 3.15 3.64 -0.72 -0.14 116.57 123.18 1k1d h LYS 196 Ca 0.15 -0.13 0.07 0.00 -1.27 0.00 0.00 60.65 59.47 1k1d h LYS 196 Cb 0.19 -0.16 -0.08 0.00 -0.41 0.00 0.00 32.23 31.78 1k1d h LYS 196 CO -0.23 0.71 -0.19 0.00 -2.27 0.00 0.00 179.45 177.47 1k1d h ALA 197 N 1.12 0.04 -0.06 5.00 0.00 -0.56 -0.79 119.26 124.02 1k1d h ALA 197 Ca 0.21 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1k1d h ALA 197 Cb 0.12 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1k1d h ALA 197 CO -0.03 -0.58 0.04 -0.07 0.00 0.00 0.00 179.25 178.62 1k1d h LEU 198 N -0.14 0.07 -1.84 0.00 3.38 -1.17 -0.87 115.31 114.74 1k1d h LEU 198 Ca 0.17 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.13 1k1d h LEU 198 Cb 0.40 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1k1d h LEU 198 CO -0.41 0.08 0.41 0.00 0.09 0.00 0.00 178.44 178.60 1k1d h ALA 199 N 1.00 1.51 -0.48 1.53 0.00 0.11 0.42 119.26 123.35 1k1d h ALA 199 Ca 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1k1d h ALA 199 Cb 0.02 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1k1d h ALA 199 CO -0.00 -0.44 0.00 -0.25 0.00 0.00 0.00 179.25 178.55 1k1d n ASP 200 N -2.98 3.40 0.00 0.00 8.00 -0.41 -4.96 116.55 119.60 1k1d n ASP 200 Ca -0.00 -2.09 0.00 0.00 0.71 0.00 0.00 54.79 53.41 1k1d n ASP 200 Cb 0.47 -0.35 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 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 0.83 1.11 3.55 0.44 0.00 0.15 -4.97 105.19 106.30 1k1d n GLY 201 Ca 0.17 0.00 -0.40 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 -3.08 6.09 -0.00 1.61 0.01 -0.42 -4.73 114.94 114.42 1k1d s ASN 202 Ca 0.00 -0.55 0.02 0.00 -0.71 0.00 0.00 52.86 51.63 1k1d s ASN 202 Cb 0.00 -2.56 -0.03 0.00 0.41 0.00 0.00 41.25 39.07 1k1d s ASN 202 CO 0.00 -1.87 0.09 0.35 -1.51 0.00 0.00 177.10 174.17 1k1d n THR 203 N 6.60 0.00 -1.03 1.60 -2.24 -1.26 -3.91 114.28 114.04 1k1d n THR 203 Ca 0.11 -0.33 -0.33 0.00 -2.27 0.00 0.00 64.05 61.23 1k1d n THR 203 Cb 0.50 0.84 0.13 0.00 -2.10 0.00 0.00 70.33 69.69 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 -1.21 0.37 -0.31 3.42 8.00 -1.26 -1.94 116.55 123.61 1k1d n ASP 204 Ca 0.00 0.54 0.27 0.00 0.71 0.00 0.00 54.79 56.31 1k1d n ASP 204 Cb 0.05 -1.44 0.60 0.00 -0.02 0.00 0.00 41.12 40.30 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 -1.06 0.24 -0.11 -0.24 0.11 -1.92 -1.29 132.00 127.73 1k1d h PRO 205 Ca -0.45 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.61 1k1d h PRO 205 Cb 1.30 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1k1d h PRO 205 CO 0.44 0.16 -0.09 0.97 -0.21 0.00 0.00 178.00 179.26 1k1d h ILE 206 N 0.25 1.13 0.00 4.15 2.10 -1.89 -1.35 117.51 121.90 1k1d h ILE 206 Ca 0.57 -0.58 0.00 0.00 1.08 0.00 0.00 64.86 65.93 1k1d h ILE 206 Cb 1.74 1.16 0.00 0.00 -1.09 0.00 0.00 36.82 38.62 1k1d h ILE 206 CO -0.19 0.18 0.00 -1.22 -1.08 0.00 0.00 178.15 175.84 1k1d n TYR 207 N -4.34 0.12 -0.19 2.19 4.02 -0.48 -0.92 117.16 117.56 1k1d n TYR 207 Ca -0.01 0.05 -0.10 0.00 -0.01 0.00 0.00 57.90 57.84 1k1d n TYR 207 Cb 0.22 -0.59 0.01 0.00 -0.02 0.00 0.00 39.34 38.96 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 1.06 0.05 -0.72 2.76 -1.37 -0.10 115.15 116.83 1k1d h HIS 208 Ca 0.00 -0.19 -0.00 0.00 -2.20 0.00 0.00 60.37 57.98 1k1d h HIS 208 Cb 0.18 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 28.86 1k1d h HIS 208 CO 0.00 0.97 -0.02 0.00 -1.30 0.00 0.00 177.93 177.58 1k1d h ALA 209 N 0.95 -0.07 0.00 5.26 0.00 -1.17 -3.30 119.26 120.93 1k1d h ALA 209 Ca 0.15 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1k1d h ALA 209 Cb 0.56 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1k1d h ALA 209 CO 0.03 -0.14 -0.00 -0.07 0.00 0.00 0.00 179.25 179.07 1k1d h LEU 210 N -0.86 0.00 -0.22 0.00 3.38 -1.42 -0.26 115.31 115.93 1k1d h LEU 210 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1k1d h LEU 210 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 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 -3.86 0.66 -3.28 0.22 5.66 -0.05 -4.16 114.28 109.46 1k1d n THR 211 Ca -0.03 0.08 -0.24 0.00 -3.05 0.00 0.00 64.05 60.80 1k1d n THR 211 Cb 0.08 -0.86 -0.08 0.00 -1.55 0.00 0.00 70.33 67.92 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 -1.90 0.38 -1.70 1.09 1.85 -0.11 -4.48 116.66 111.78 1k1d n ARG 212 Ca 0.04 -3.09 -0.38 0.00 -1.00 0.00 0.00 57.85 53.42 1k1d n ARG 212 Cb 0.28 -1.51 0.06 0.00 -1.05 0.00 0.00 32.46 30.23 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 2.38 1.26 0.28 2.89 -0.04 -1.25 -4.78 135.00 135.74 1k1d n PRO 213 Ca 0.26 0.48 0.18 0.00 -0.04 0.00 0.00 63.50 64.38 1k1d n PRO 213 Cb 0.50 -2.45 0.92 0.00 -0.04 0.00 0.00 33.50 32.43 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 0.83 0.00 -0.89 0.54 0.13 -1.98 -0.31 132.00 130.32 1k1d h PRO 214 Ca -0.50 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.67 1k1d h PRO 214 Cb 1.33 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.41 1k1d h PRO 214 CO 0.54 0.00 0.57 0.93 -0.23 0.00 0.00 178.00 179.81 1k1d h GLU 215 N 0.00 1.06 0.00 0.86 3.07 -1.99 0.14 114.58 117.72 1k1d h GLU 215 Ca 0.04 -0.06 -0.05 0.00 -0.50 0.00 0.00 59.36 58.78 1k1d h GLU 215 Cb 0.48 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 28.15 1k1d h GLU 215 CO -0.00 0.70 -0.23 -0.07 -1.40 0.00 0.00 179.01 178.01 1k1d h LEU 216 N 1.09 0.00 0.13 1.33 3.38 -1.40 0.22 115.31 120.06 1k1d h LEU 216 Ca 0.36 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 58.07 1k1d h LEU 216 Cb 0.04 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.82 1k1d h LEU 216 CO -0.13 0.23 -1.12 -0.08 0.09 0.00 0.00 178.44 177.43 1k1d h GLU 217 N 0.00 0.53 -0.07 1.13 4.81 -1.24 -2.49 114.58 117.26 1k1d h GLU 217 Ca -0.00 -0.74 -0.01 0.00 -0.13 0.00 0.00 59.36 58.48 1k1d h GLU 217 Cb 0.66 0.25 -0.00 0.00 0.63 0.00 0.00 28.75 30.29 1k1d h GLU 217 CO 0.03 1.33 0.01 0.78 -0.73 0.00 0.00 179.01 180.43 1k1d h GLY 218 N 0.10 0.12 0.06 1.92 0.00 -0.80 -0.23 103.07 104.23 1k1d h GLY 218 Ca -0.18 -0.08 0.03 0.00 0.00 0.00 0.00 47.33 47.11 1k1d h GLY 218 CO 0.21 0.07 -0.46 -2.09 0.00 0.00 0.00 176.54 174.27 1k1d h GLU 219 N -0.12 -0.57 -0.16 4.80 4.22 -0.65 0.60 114.58 122.69 1k1d h GLU 219 Ca 0.02 0.04 0.05 0.00 0.08 0.00 0.00 59.36 59.55 1k1d h GLU 219 Cb 0.26 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 1k1d h GLU 219 CO 0.00 -0.38 -0.16 0.00 -2.18 0.00 0.00 179.01 176.29 1k1d h ALA 220 N -0.13 -0.05 -0.84 2.92 0.00 -1.40 -0.58 119.26 119.18 1k1d h ALA 220 Ca 0.04 0.06 0.17 0.00 0.00 0.00 0.00 54.91 55.18 1k1d h ALA 220 Cb 0.67 0.33 -0.06 0.00 0.00 0.00 0.00 17.79 18.73 1k1d h ALA 220 CO -0.36 -0.60 0.55 1.15 0.00 0.00 0.00 179.25 180.00 1k1d h THR 221 N -0.18 0.76 0.13 0.00 2.02 -0.43 -1.64 112.91 113.57 1k1d h THR 221 Ca 0.11 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 1k1d h THR 221 Cb 0.34 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 66.99 1k1d h THR 221 CO -0.27 0.09 -0.06 1.23 0.37 0.00 0.00 175.52 176.87 1k1d h GLY 222 N 0.47 -0.18 0.40 2.16 0.00 0.70 -2.08 103.07 104.54 1k1d h GLY 222 Ca 0.43 0.07 0.03 0.00 0.00 0.00 0.00 47.33 47.86 1k1d h GLY 222 CO -0.16 -0.07 -0.25 3.21 0.00 0.00 0.00 176.54 179.27 1k1d h ARG 223 N -0.34 -0.36 -0.80 4.80 3.08 -0.80 0.35 114.38 120.31 1k1d h ARG 223 Ca -0.02 0.02 0.19 0.00 0.07 0.00 0.00 59.98 60.25 1k1d h ARG 223 Cb 0.28 0.08 -0.13 0.00 0.08 0.00 0.00 29.97 30.27 1k1d h ARG 223 CO 0.03 -0.24 0.08 0.00 -1.07 0.00 0.00 179.97 178.76 1k1d h ALA 224 N 0.47 0.94 0.51 0.04 0.00 -1.31 0.44 119.26 120.35 1k1d h ALA 224 Ca 0.07 0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 1k1d h ALA 224 Cb 0.47 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1k1d h ALA 224 CO -0.24 -0.43 -0.24 0.00 0.00 0.00 0.00 179.25 178.34 1k1d h GLN 226 N -0.99 0.18 -0.43 0.00 4.20 0.58 0.23 115.11 118.88 1k1d h GLN 226 Ca -0.07 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 1k1d h GLN 226 Cb 0.61 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 1k1d h GLN 226 CO 0.11 0.12 0.16 -0.07 -0.67 0.00 0.00 178.83 178.49 1k1d h LEU 227 N 0.19 0.60 -1.55 1.46 3.38 -0.16 -0.53 115.31 118.70 1k1d h LEU 227 Ca 0.32 -0.18 0.10 0.00 0.09 0.00 0.00 57.88 58.20 1k1d h LEU 227 Cb 0.50 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 1k1d h LEU 227 CO -0.46 0.62 0.44 0.74 0.09 0.00 0.00 178.44 179.87 1k1d h THR 228 N 0.55 0.92 0.40 0.22 2.02 0.12 0.56 112.91 117.70 1k1d h THR 228 Ca 0.14 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 1k1d h THR 228 Cb 0.21 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 1k1d h THR 228 CO -0.01 0.09 -0.19 -0.08 0.37 0.00 0.00 175.52 175.70 1k1d h GLU 229 N 0.51 -0.52 -0.57 6.66 4.81 0.11 0.78 114.58 126.37 1k1d h GLU 229 Ca 0.30 0.04 0.12 0.00 -0.13 0.00 0.00 59.36 59.68 1k1d h GLU 229 Cb 0.50 0.12 -0.10 0.00 0.63 0.00 0.00 28.75 29.89 1k1d h GLU 229 CO -0.09 -0.21 -0.08 1.25 -0.73 0.00 0.00 179.01 179.15 1k1d h LEU 230 N -0.86 -0.40 -1.23 1.64 5.85 -0.22 0.65 115.31 120.74 1k1d h LEU 230 Ca -0.05 0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.77 1k1d h LEU 230 Cb 0.55 0.30 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 1k1d h LEU 230 CO 0.09 -0.15 -0.25 0.00 -0.34 0.00 0.00 178.44 177.79 1k1d h ALA 231 N 1.54 1.07 -0.71 1.25 0.00 -0.91 -3.47 119.26 118.03 1k1d h ALA 231 Ca 0.28 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 1k1d h ALA 231 Cb 0.44 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1k1d h ALA 231 CO -0.54 0.31 -0.16 0.41 0.00 0.00 0.00 179.25 179.27 1k1d n GLY 232 N -0.01 0.50 0.00 0.00 0.00 0.23 -4.84 105.19 101.07 1k1d n GLY 232 Ca -0.00 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 0.69 0.00 -4.18 1.61 3.41 -0.95 -4.99 113.62 109.22 1k1d n SER 233 Ca -0.08 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.26 1k1d n SER 233 Cb 0.41 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.20 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 3.85 1.72 0.21 4.33 0.00 -1.26 -4.43 119.66 124.07 1k1d s GLN 234 Ca 0.00 -0.67 0.10 0.00 -0.00 0.00 0.00 55.36 54.79 1k1d s GLN 234 Cb 0.00 -1.57 -0.04 0.00 0.00 0.00 0.00 33.01 31.40 1k1d s GLN 234 CO 0.00 0.34 -0.16 -1.17 0.00 0.00 0.00 175.29 174.30 1k1d s LEU 235 N -0.24 2.71 -0.28 2.60 2.96 -0.53 -2.72 118.68 123.19 1k1d s LEU 235 Ca 0.02 -0.77 -0.01 0.00 -0.22 0.00 0.00 54.13 53.15 1k1d s LEU 235 Cb -0.09 -1.38 0.13 0.00 0.50 0.00 0.00 46.19 45.35 1k1d s LEU 235 CO 0.01 0.09 0.28 -0.47 -1.32 0.00 0.00 176.35 174.94 1k1d s TYR 236 N -1.88 -0.42 -0.25 5.38 6.14 -0.58 -1.22 117.35 124.52 1k1d s TYR 236 Ca 0.25 -0.16 -0.28 0.00 0.64 0.00 0.00 57.07 57.51 1k1d s TYR 236 Cb -0.08 -0.47 0.01 0.00 0.42 0.00 0.00 41.96 41.85 1k1d s TYR 236 CO 0.13 -0.89 1.02 0.08 0.64 0.00 0.00 175.55 176.53 1k1d s VAL 237 N 2.35 4.66 0.45 3.14 1.01 0.20 -1.91 120.40 130.31 1k1d s VAL 237 Ca 0.09 1.90 -0.15 0.00 0.00 0.00 0.00 61.98 63.83 1k1d s VAL 237 Cb -0.14 -4.31 -0.08 0.00 0.00 0.00 0.00 36.38 31.85 1k1d s VAL 237 CO -0.31 -0.23 0.89 0.68 0.00 0.00 0.00 175.10 176.12 1k1d s VAL 238 N 3.25 4.62 -0.36 2.92 -7.23 -0.82 -1.49 120.40 121.30 1k1d s VAL 238 Ca 0.43 1.01 -0.12 0.00 -1.81 0.00 0.00 61.98 61.49 1k1d s VAL 238 Cb -0.14 -3.71 0.02 0.00 0.56 0.00 0.00 36.38 33.11 1k1d s VAL 238 CO 0.08 -0.56 0.36 0.00 -0.31 0.00 0.00 175.10 174.67 1k1d n HIS 239 N -1.31 -1.35 -2.48 2.82 1.44 -1.10 -4.68 115.22 108.55 1k1d n HIS 239 Ca 0.05 0.56 -0.42 0.00 -2.01 0.00 0.00 57.72 55.90 1k1d n HIS 239 Cb 0.54 -1.27 -0.03 0.00 0.12 0.00 0.00 29.99 29.35 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 -1.67 4.30 -0.05 0.61 1.01 0.46 -4.77 120.40 120.29 1k1d s VAL 240 Ca 0.12 1.62 -0.09 0.00 0.00 0.00 0.00 61.98 63.63 1k1d s VAL 240 Cb -0.01 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 1k1d s VAL 240 CO 0.51 0.02 -0.18 0.41 0.00 0.00 0.00 175.10 175.86 1k1d n THR 241 N 4.50 1.32 -2.55 3.92 -1.04 -1.26 -4.62 114.28 114.54 1k1d n THR 241 Ca 0.10 0.23 -0.22 0.00 -2.04 0.00 0.00 64.05 62.12 1k1d n THR 241 Cb 0.47 -1.95 0.05 0.00 -1.82 0.00 0.00 70.33 67.08 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 -0.13 0.19 -0.89 0.00 0.00 -1.95 -2.72 119.26 113.76 1k1d h ALA 243 Ca -0.42 -0.21 0.25 0.00 0.00 0.00 0.00 54.91 54.53 1k1d h ALA 243 Cb 1.30 -0.05 -0.14 0.00 0.00 0.00 0.00 17.79 18.89 1k1d h ALA 243 CO 0.52 -0.08 0.26 1.96 0.00 0.00 0.00 179.25 181.90 1k1d h GLN 244 N -0.03 0.20 -0.12 0.00 7.50 -1.95 0.31 115.11 121.02 1k1d h GLN 244 Ca 0.04 -0.01 -0.02 0.00 0.50 0.00 0.00 58.65 59.16 1k1d h GLN 244 Cb 0.42 -0.04 -0.00 0.00 0.05 0.00 0.00 27.48 27.90 1k1d h GLN 244 CO 0.01 0.13 -0.00 0.00 -1.50 0.00 0.00 178.83 177.47 1k1d h ALA 245 N 1.80 0.16 -1.00 3.87 0.00 -1.82 -2.49 119.26 119.78 1k1d h ALA 245 Ca 0.57 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 55.40 1k1d h ALA 245 Cb 1.18 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.84 1k1d h ALA 245 CO -0.67 -0.14 0.63 0.28 0.00 0.00 0.00 179.25 179.35 1k1d h VAL 246 N -0.06 0.94 0.38 0.00 2.07 -0.21 -1.99 116.25 117.37 1k1d h VAL 246 Ca 0.03 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 1k1d h VAL 246 Cb 0.37 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 29.99 1k1d h VAL 246 CO 0.01 0.18 -0.18 -0.08 0.02 0.00 0.00 177.57 177.52 1k1d h GLU 247 N 1.01 -0.49 -0.62 1.57 4.81 -0.56 -0.41 114.58 119.88 1k1d h GLU 247 Ca 0.49 0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.84 1k1d h GLU 247 Cb 0.44 0.11 -0.07 0.00 0.63 0.00 0.00 28.75 29.86 1k1d h GLU 247 CO -0.25 -0.33 0.25 0.87 -0.73 0.00 0.00 179.01 178.82 1k1d h LYS 248 N -0.51 0.43 -0.14 1.92 1.79 -0.96 0.85 116.57 119.94 1k1d h LYS 248 Ca -0.05 -0.03 -0.06 0.00 -2.18 0.00 0.00 60.65 58.33 1k1d h LYS 248 Cb 0.39 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.93 1k1d h LYS 248 CO 0.08 0.28 -0.19 0.82 -1.08 0.00 0.00 179.45 179.37 1k1d h ILE 249 N 0.44 1.20 -0.17 1.86 2.04 -1.21 -1.67 117.51 120.01 1k1d h ILE 249 Ca 0.31 -0.93 -0.04 0.00 1.00 0.00 0.00 64.86 65.20 1k1d h ILE 249 Cb 0.37 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 1k1d h ILE 249 CO -0.30 0.29 -0.04 0.00 0.00 0.00 0.00 178.15 178.10 1k1d h ALA 250 N 1.59 0.24 -0.13 1.87 0.00 0.84 -2.12 119.26 121.55 1k1d h ALA 250 Ca 0.04 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.74 1k1d h ALA 250 Cb 0.46 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1k1d h ALA 250 CO 0.03 -0.00 -0.07 0.93 0.00 0.00 0.00 179.25 180.13 1k1d h GLU 251 N 0.04 -0.06 0.02 0.00 5.08 -0.76 -1.53 114.58 117.36 1k1d h GLU 251 Ca 0.04 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1k1d h GLU 251 Cb 0.47 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.68 1k1d h GLU 251 CO 0.02 -0.04 -0.48 0.00 -1.00 0.00 0.00 179.01 177.50 1k1d h ALA 252 N 1.05 -0.83 -0.01 3.43 0.00 -1.23 -0.99 119.26 120.67 1k1d h ALA 252 Ca 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1k1d h ALA 252 Cb 0.18 0.85 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1k1d h ALA 252 CO -0.17 -1.05 0.01 0.00 0.00 0.00 0.00 179.25 178.05 1k1d h ARG 253 N -0.65 0.00 -0.48 0.00 3.08 -1.23 -0.58 114.38 114.52 1k1d h ARG 253 Ca 0.03 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.95 1k1d h ARG 253 Cb 0.70 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 1k1d h ARG 253 CO -0.33 0.00 -0.18 -0.91 -1.07 0.00 0.00 179.97 177.47 1k1d h ASN 254 N 0.00 1.00 0.00 7.04 2.35 -0.15 -2.43 115.58 123.38 1k1d h ASN 254 Ca 0.01 -0.39 0.00 0.00 -0.55 0.00 0.00 56.30 55.37 1k1d h ASN 254 Cb 0.03 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.12 1k1d h ASN 254 CO -0.00 1.16 0.00 0.29 -1.65 0.00 0.00 177.43 177.23 1k1d n LYS 255 N -4.15 0.65 -0.69 0.81 5.02 -0.26 -4.82 118.16 114.73 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 0.44 -1.24 0.00 0.00 -0.02 0.00 0.00 35.03 34.20 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 0.23 1.52 3.73 0.72 0.00 -0.92 -5.00 105.19 105.48 1k1d n GLY 256 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 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 5.43 -3.81 0.99 4.77 -1.01 -4.88 117.00 118.49 1k1d n LEU 257 Ca 0.00 0.96 -0.42 0.00 -0.03 0.00 0.00 56.01 56.51 1k1d n LEU 257 Cb 0.00 -1.56 0.00 0.00 -2.33 0.00 0.00 43.42 39.53 1k1d n LEU 257 CO 0.00 -0.70 2.16 -0.67 -1.33 0.00 0.00 177.39 176.85 1k1d n ASP 258 N -1.04 4.90 -4.59 -1.43 -0.08 -1.26 -4.31 116.55 108.75 1k1d n ASP 258 Ca 0.11 -3.04 -0.31 0.00 -1.51 0.00 0.00 54.79 50.03 1k1d n ASP 258 Cb 0.45 -1.52 -0.10 0.00 2.34 0.00 0.00 41.12 42.29 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 1.03 3.55 0.06 5.18 1.01 -1.26 -1.45 120.40 128.51 1k1d s VAL 259 Ca 0.42 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.50 1k1d s VAL 259 Cb 0.11 -2.58 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 1k1d s VAL 259 CO -0.02 0.31 -0.10 0.26 0.00 0.00 0.00 175.10 175.54 1k1d s TRP 260 N -1.06 0.90 0.08 5.22 0.52 -0.36 -4.82 118.94 119.42 1k1d s TRP 260 Ca 0.19 -0.50 0.08 0.00 0.02 0.00 0.00 56.10 55.89 1k1d s TRP 260 Cb -0.11 -0.52 -0.03 0.00 -1.15 0.00 0.00 33.47 31.66 1k1d s TRP 260 CO 0.10 -0.03 -0.21 0.20 0.02 0.00 0.00 176.95 177.03 1k1d s GLY 261 N -1.70 1.21 0.04 0.98 0.00 -1.26 0.60 107.32 107.19 1k1d s GLY 261 Ca -0.06 -1.19 0.02 0.00 0.00 0.00 0.00 44.72 43.49 1k1d s GLY 261 CO 0.01 -1.17 -0.07 1.85 0.00 0.00 0.00 173.10 173.72 1k1d s GLU 262 N -1.68 0.50 0.34 2.90 2.12 -0.56 -1.85 118.70 120.48 1k1d s GLU 262 Ca 0.07 -0.76 0.04 0.00 0.36 0.00 0.00 54.97 54.69 1k1d s GLU 262 Cb -0.10 -0.21 -0.03 0.00 0.26 0.00 0.00 34.13 34.05 1k1d s GLU 262 CO 0.03 0.03 0.18 0.99 -0.54 0.00 0.00 175.26 175.95 1k1d s THR 263 N -1.50 0.32 0.02 -1.70 2.01 -0.41 0.17 115.64 114.56 1k1d s THR 263 Ca -0.10 -2.00 0.02 0.00 0.31 0.00 0.00 61.69 59.92 1k1d s THR 263 Cb -0.09 -2.46 -0.02 0.00 0.01 0.00 0.00 72.50 69.94 1k1d s THR 263 CO -0.00 0.00 -0.08 0.00 -0.69 0.00 0.00 174.62 173.85 1k1d h PRO 265 N 5.16 -0.01 -0.99 0.00 0.13 -1.89 0.29 132.00 134.69 1k1d h PRO 265 Ca -0.33 0.00 0.29 0.00 -0.87 0.00 0.00 66.00 65.09 1k1d h PRO 265 Cb 1.20 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 1k1d h PRO 265 CO 0.45 -0.01 0.76 -0.56 -0.23 0.00 0.00 178.00 178.41 1k1d h GLN 266 N -0.01 0.00 0.00 0.86 -0.00 -1.92 0.78 115.11 114.81 1k1d h GLN 266 Ca 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.05 1k1d h GLN 266 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.12 1k1d h GLN 266 CO -0.92 0.00 -0.84 1.88 -0.00 0.00 0.00 178.83 178.95 1k1d h TYR 267 N 0.00 0.00 0.01 0.06 -1.99 -1.20 -1.96 116.97 111.90 1k1d h TYR 267 Ca 0.47 0.00 -0.28 0.00 2.00 0.00 0.00 58.73 60.92 1k1d h TYR 267 Cb 1.99 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 40.68 1k1d h TYR 267 CO 0.00 0.00 -1.55 1.25 -0.00 0.00 0.00 178.16 177.86 1k1d h LEU 268 N 0.00 0.03 0.00 3.88 5.85 0.61 -3.42 115.31 122.26 1k1d h LEU 268 Ca 0.00 -0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.56 1k1d h LEU 268 Cb 0.90 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 1k1d h LEU 268 CO 0.00 1.05 -1.39 0.52 -0.34 0.00 0.00 178.44 178.28 1k1d n VAL 269 N -3.15 0.39 -2.48 1.05 0.31 0.47 -4.88 118.33 110.04 1k1d n VAL 269 Ca -0.13 -0.15 -0.23 0.00 -0.01 0.00 0.00 64.34 63.81 1k1d n VAL 269 Cb 1.03 -0.78 0.07 0.00 -0.91 0.00 0.00 33.84 33.25 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 -5.44 3.04 0.30 7.52 1.43 -0.74 -5.07 118.68 119.72 1k1d s LEU 270 Ca -0.09 0.01 -0.14 0.00 -1.03 0.00 0.00 54.13 52.87 1k1d s LEU 270 Cb 0.02 -2.62 0.02 0.00 0.03 0.00 0.00 46.19 43.64 1k1d s LEU 270 CO 0.16 -1.56 0.62 1.51 0.23 0.00 0.00 176.35 177.31 1k1d s ASP 271 N -4.57 0.02 0.38 2.29 1.47 -1.26 -4.62 116.67 110.38 1k1d s ASP 271 Ca 0.62 -0.96 0.20 0.00 1.18 0.00 0.00 52.55 53.58 1k1d s ASP 271 Cb -0.09 0.70 1.20 0.00 -0.34 0.00 0.00 42.92 44.40 1k1d s ASP 271 CO 0.42 -1.35 1.66 -0.61 0.68 0.00 0.00 175.17 175.98 1k1d h GLN 272 N 2.10 0.24 -0.92 2.11 4.15 0.09 -1.95 115.11 120.93 1k1d h GLN 272 Ca -0.26 -0.01 0.14 0.00 0.77 0.00 0.00 58.65 59.28 1k1d h GLN 272 Cb 1.25 -0.05 -0.09 0.00 0.21 0.00 0.00 27.48 28.80 1k1d h GLN 272 CO 0.33 0.16 0.53 0.66 -1.93 0.00 0.00 178.83 178.58 1k1d h SER 273 N 0.25 0.72 -0.08 -0.69 4.64 -1.92 -1.11 113.55 115.36 1k1d h SER 273 Ca 0.75 0.07 0.02 0.00 -0.47 0.00 0.00 61.79 62.16 1k1d h SER 273 Cb 1.94 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 63.96 1k1d h SER 273 CO -0.52 0.35 0.50 1.88 -0.87 0.00 0.00 176.83 178.16 1k1d h TYR 274 N 0.79 0.00 0.00 4.77 -1.99 -1.73 0.66 116.97 119.47 1k1d h TYR 274 Ca 0.48 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.21 1k1d h TYR 274 Cb 0.59 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.32 1k1d h TYR 274 CO -0.04 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 179.40 1k1d n LEU 275 N -2.92 0.62 -0.06 3.88 4.77 -0.42 -3.34 117.00 119.54 1k1d n LEU 275 Ca 0.00 0.56 -0.08 0.00 -0.03 0.00 0.00 56.01 56.46 1k1d n LEU 275 Cb 0.56 -0.37 -0.15 0.00 -2.33 0.00 0.00 43.42 41.13 1k1d n LEU 275 CO 0.13 -0.15 -0.86 -0.62 -1.33 0.00 0.00 177.39 174.56 1k1d n GLU 276 N -2.09 0.66 -1.85 3.23 1.02 0.23 -3.43 120.64 118.42 1k1d n GLU 276 Ca 0.06 0.11 -0.30 0.00 -0.02 0.00 0.00 57.16 57.01 1k1d n GLU 276 Cb 0.40 -1.64 -0.04 0.00 -0.02 0.00 0.00 31.44 30.14 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 -2.59 2.30 -0.13 3.49 2.20 -1.04 -4.62 119.74 119.35 1k1d s LYS 277 Ca -0.07 0.55 -0.34 0.00 -0.36 0.00 0.00 55.97 55.74 1k1d s LYS 277 Cb 0.07 -4.68 0.14 0.00 -1.51 0.00 0.00 37.83 31.86 1k1d s LYS 277 CO 0.83 -3.33 1.36 -1.25 -0.36 0.00 0.00 175.35 172.59 1k1d s PRO 278 N 7.65 0.16 4.31 4.03 0.04 -1.26 -2.17 135.00 147.76 1k1d s PRO 278 Ca 0.79 -0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.75 1k1d s PRO 278 Cb -0.12 0.06 0.00 0.00 0.04 0.00 0.00 34.50 34.48 1k1d s PRO 278 CO 0.14 -0.07 0.00 0.09 0.04 0.00 0.00 177.00 177.20 1k1d n ASN 279 N -0.33 0.00 0.00 6.66 3.02 -1.26 -1.03 115.26 122.31 1k1d n ASN 279 Ca -0.05 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.50 1k1d n ASN 279 Cb 0.61 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.78 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 -0.30 3.10 7.35 -1.26 -4.84 117.46 121.52 1k1d n PHE 280 Ca 0.00 0.00 0.35 0.00 -0.76 0.00 0.00 57.45 57.04 1k1d n PHE 280 Cb 0.00 0.00 0.72 0.00 0.35 0.00 0.00 39.48 40.55 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 0.00 -0.59 -4.13 4.39 -1.24 -1.02 114.58 111.98 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 0.45 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.00 1k1d h GLU 281 CO 0.00 0.00 -0.04 0.78 -1.16 0.00 0.00 179.01 178.59 1k1d h GLY 282 N 0.00 0.58 -0.11 -3.84 0.00 -1.61 -0.63 103.07 97.46 1k1d h GLY 282 Ca 0.55 0.11 0.21 0.00 0.00 0.00 0.00 47.33 48.20 1k1d h GLY 282 CO -0.01 -0.20 0.85 0.00 0.00 0.00 0.00 176.54 177.18 1k1d h ALA 283 N 1.55 2.55 0.00 3.60 0.00 -1.47 0.40 119.26 125.90 1k1d h ALA 283 Ca 0.30 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1k1d h ALA 283 Cb 0.48 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1k1d h ALA 283 CO -0.53 -1.23 -0.05 0.87 0.00 0.00 0.00 179.25 178.31 1k1d h LYS 284 N 0.00 0.00 -0.46 0.00 1.57 -1.30 -2.48 116.57 113.89 1k1d h LYS 284 Ca 0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 1k1d h LYS 284 Cb 2.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.35 1k1d h LYS 284 CO -0.00 0.05 0.00 0.66 -0.57 0.00 0.00 179.45 179.58 1k1d n TYR 285 N -3.71 0.85 -2.68 -1.35 4.01 0.14 -4.89 117.16 109.53 1k1d n TYR 285 Ca -0.02 -0.59 -0.43 0.00 -0.16 0.00 0.00 57.90 56.70 1k1d n TYR 285 Cb 0.14 -0.12 -0.02 0.00 -0.31 0.00 0.00 39.34 39.03 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 -1.48 4.52 0.10 -0.72 1.01 -0.94 -4.74 120.40 118.15 1k1d s VAL 286 Ca 0.37 1.58 -0.25 0.00 0.00 0.00 0.00 61.98 63.67 1k1d s VAL 286 Cb 0.22 -4.40 0.08 0.00 0.00 0.00 0.00 36.38 32.29 1k1d s VAL 286 CO 0.19 -0.51 0.77 -1.66 0.00 0.00 0.00 175.10 173.90 1k1d s TRP 287 N 3.63 -0.38 -0.03 5.22 -2.14 -1.26 -1.72 118.94 122.25 1k1d s TRP 287 Ca 0.44 0.17 0.07 0.00 2.66 0.00 0.00 56.10 59.43 1k1d s TRP 287 Cb -0.12 0.57 -0.02 0.00 -3.10 0.00 0.00 33.47 30.81 1k1d s TRP 287 CO 0.17 -0.75 -0.25 -1.12 -2.66 0.00 0.00 176.95 172.34 1k1d s SER 288 N -2.67 2.93 0.74 -2.66 0.01 -1.26 -3.04 113.70 107.74 1k1d s SER 288 Ca 0.05 -0.46 -0.14 0.00 1.31 0.00 0.00 55.95 56.71 1k1d s SER 288 Cb -0.01 -0.49 0.04 0.00 0.21 0.00 0.00 66.02 65.77 1k1d s SER 288 CO -0.08 0.28 1.14 -2.84 0.41 0.00 0.00 173.24 172.16 1k1d s PRO 289 N -0.44 2.24 0.70 12.44 0.02 -1.26 -5.04 135.00 143.66 1k1d s PRO 289 Ca 0.05 1.50 -0.14 0.00 0.02 0.00 0.00 61.00 62.43 1k1d s PRO 289 Cb -0.11 -1.87 0.02 0.00 0.02 0.00 0.00 34.50 32.56 1k1d s PRO 289 CO 0.01 -1.70 1.12 -1.25 -0.33 0.00 0.00 177.00 174.84 1k1d s PRO 290 N -4.25 2.58 0.39 5.54 0.04 -1.17 -4.97 135.00 133.16 1k1d s PRO 290 Ca 0.68 1.39 -0.27 0.00 0.04 0.00 0.00 61.00 62.84 1k1d s PRO 290 Cb -0.23 -1.92 -0.10 0.00 0.04 0.00 0.00 34.50 32.29 1k1d s PRO 290 CO 0.47 -1.42 1.45 -0.51 0.04 0.00 0.00 177.00 177.03 1k1d s LEU 291 N -5.15 4.28 0.00 -3.56 1.43 -1.26 -4.98 118.68 109.44 1k1d s LEU 291 Ca 0.66 2.98 0.03 0.00 -1.03 0.00 0.00 54.13 56.76 1k1d s LEU 291 Cb -0.21 -3.74 0.03 0.00 0.03 0.00 0.00 46.19 42.30 1k1d s LEU 291 CO 0.45 -0.91 0.21 0.54 0.23 0.00 0.00 176.35 176.87 1k1d n ARG 292 N 0.33 0.97 -2.36 1.70 5.12 -1.26 -3.98 116.66 117.18 1k1d n ARG 292 Ca 0.02 -0.95 -0.41 0.00 -1.93 0.00 0.00 57.85 54.58 1k1d n ARG 292 Cb 0.40 -0.03 -0.04 0.00 -1.16 0.00 0.00 32.46 31.64 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 -2.75 4.53 0.26 5.56 2.02 -1.26 0.65 118.70 127.71 1k1d s GLU 293 Ca 0.16 1.93 0.17 0.00 0.02 0.00 0.00 54.97 57.24 1k1d s GLU 293 Cb -0.01 -3.18 0.94 0.00 0.10 0.00 0.00 34.13 31.98 1k1d s GLU 293 CO 0.10 0.03 1.06 1.17 0.02 0.00 0.00 175.26 177.64 1k1d n LYS 294 N 1.49 -0.04 0.30 1.61 3.00 -1.26 -1.17 118.16 122.10 1k1d n LYS 294 Ca 0.01 0.90 0.18 0.00 -0.00 0.00 0.00 58.31 59.40 1k1d n LYS 294 Cb 0.44 -1.67 0.97 0.00 0.00 0.00 0.00 35.03 34.77 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 -2.61 115.95 122.06 1k1d h TRP 295 Ca 0.58 0.00 -0.09 0.00 1.08 0.00 0.00 58.89 60.46 1k1d h TRP 295 Cb 1.65 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.79 1k1d h TRP 295 CO -0.01 0.03 -0.43 0.45 -1.28 0.00 0.00 178.44 177.20 1k1d h HIS 296 N 0.00 0.00 -0.99 0.12 3.86 -1.51 -3.15 115.15 113.48 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 0.15 0.00 -0.12 0.00 1.06 0.00 0.00 27.41 28.50 1k1d h HIS 296 CO 0.00 0.43 0.58 1.96 0.86 0.00 0.00 177.93 181.76 1k1d h GLN 297 N 0.00 0.57 0.73 2.45 4.20 -1.66 -0.38 115.11 121.03 1k1d h GLN 297 Ca -0.00 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.64 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 0.38 -0.41 0.93 -0.67 0.00 0.00 178.83 179.11 1k1d h GLU 298 N 0.59 -1.02 -0.78 1.46 5.08 -1.75 -0.47 114.58 117.69 1k1d h GLU 298 Ca 0.63 0.07 0.18 0.00 -1.00 0.00 0.00 59.36 59.24 1k1d h GLU 298 Cb 1.17 0.23 -0.13 0.00 0.50 0.00 0.00 28.75 30.52 1k1d h GLU 298 CO -0.47 -0.68 0.08 0.28 -1.00 0.00 0.00 179.01 177.22 1k1d h VAL 299 N -1.06 0.36 0.56 3.13 2.07 -1.28 0.23 116.25 120.26 1k1d h VAL 299 Ca -0.10 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 1k1d h VAL 299 Cb 0.84 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1k1d h VAL 299 CO 0.12 0.03 -0.32 -0.07 0.02 0.00 0.00 177.57 177.35 1k1d h LEU 300 N 0.15 -0.80 -0.66 2.57 3.38 -0.85 0.18 115.31 119.28 1k1d h LEU 300 Ca 0.44 0.04 0.12 0.00 0.09 0.00 0.00 57.88 58.58 1k1d h LEU 300 Cb 0.80 0.23 -0.09 0.00 0.09 0.00 0.00 40.66 41.69 1k1d h LEU 300 CO -0.64 -0.52 0.20 -0.50 0.09 0.00 0.00 178.44 177.07 1k1d h TRP 301 N -0.83 0.33 -0.81 1.13 4.06 0.78 0.12 115.95 120.74 1k1d h TRP 301 Ca -0.07 0.04 -0.02 0.00 2.06 0.00 0.00 58.89 60.89 1k1d h TRP 301 Cb 0.66 -0.05 -0.04 0.00 -1.00 0.00 0.00 29.16 28.74 1k1d h TRP 301 CO -0.08 0.01 0.42 -0.91 -3.56 0.00 0.00 178.44 174.33 1k1d h ASN 302 N 0.34 1.03 -0.60 -3.49 2.35 -0.42 0.48 115.58 115.28 1k1d h ASN 302 Ca 0.35 -0.11 0.03 0.00 -0.55 0.00 0.00 56.30 56.01 1k1d h ASN 302 Cb 0.52 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.59 1k1d h ASN 302 CO -0.40 0.85 0.37 0.00 -1.65 0.00 0.00 177.43 176.60 1k1d h ALA 303 N 1.22 0.77 -0.62 -0.83 0.00 0.48 0.44 119.26 120.73 1k1d h ALA 303 Ca 0.28 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 1k1d h ALA 303 Cb 0.07 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1k1d h ALA 303 CO -0.04 0.11 0.11 1.25 0.00 0.00 0.00 179.25 180.67 1k1d h LEU 304 N 0.72 0.97 0.08 0.00 5.85 0.08 0.33 115.31 123.35 1k1d h LEU 304 Ca 0.24 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1k1d h LEU 304 Cb 0.01 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.78 1k1d h LEU 304 CO -0.10 0.98 -0.04 0.50 -0.34 0.00 0.00 178.44 179.45 1k1d h LYS 305 N 0.93 -0.11 -0.00 1.25 3.64 0.90 -3.26 116.57 119.92 1k1d h LYS 305 Ca 0.19 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1k1d h LYS 305 Cb 0.42 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1k1d h LYS 305 CO 0.01 0.13 -0.32 0.09 -2.27 0.00 0.00 179.45 177.10 1k1d n ASN 306 N -5.03 0.43 0.00 4.20 3.02 0.15 -4.96 115.26 113.06 1k1d n ASN 306 Ca -0.08 -0.17 0.00 0.00 -0.03 0.00 0.00 54.58 54.30 1k1d n ASN 306 Cb 0.16 0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.36 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 1.46 0.57 0.34 7.41 0.00 0.85 -4.96 105.19 110.85 1k1d n GLY 307 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.08 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 4.15 0.98 -6.18 1.61 1.08 -1.00 -3.39 115.11 112.37 1k1d h GLN 308 Ca 0.00 -0.11 -0.69 0.00 -1.45 0.00 0.00 58.65 56.40 1k1d h GLN 308 Cb 0.00 -0.19 -0.22 0.00 -0.05 0.00 0.00 27.48 27.02 1k1d h GLN 308 CO 0.00 0.73 -0.74 -0.51 -0.95 0.00 0.00 178.83 177.36 1k1d s LEU 309 N -9.69 2.90 0.00 1.46 1.43 -0.98 -4.41 118.68 109.39 1k1d s LEU 309 Ca -0.11 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 52.85 1k1d s LEU 309 Cb 0.17 -1.61 0.00 0.00 0.03 0.00 0.00 46.19 44.78 1k1d s LEU 309 CO 0.80 0.34 0.36 0.00 0.23 0.00 0.00 176.35 178.07 1k1d n GLN 310 N 2.38 -0.49 -3.88 1.70 0.00 -0.77 -4.23 117.38 112.09 1k1d n GLN 310 Ca -0.17 -0.38 -0.11 0.00 0.00 0.00 0.00 57.00 56.34 1k1d n GLN 310 Cb 0.52 -0.83 -0.10 0.00 0.00 0.00 0.00 30.24 29.84 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 0.09 -0.18 -0.39 -4.23 -1.13 -4.48 115.64 105.28 1k1d s THR 311 Ca 0.00 -0.73 -0.00 0.00 -1.18 0.00 0.00 61.69 59.77 1k1d s THR 311 Cb 0.00 -0.45 0.01 0.00 1.34 0.00 0.00 72.50 73.40 1k1d s THR 311 CO 0.00 -0.40 -0.15 -0.22 -0.54 0.00 0.00 174.62 173.30 1k1d s LEU 312 N -1.44 2.40 0.35 4.79 2.96 -0.57 -1.29 118.68 125.88 1k1d s LEU 312 Ca -0.14 -0.53 0.09 0.00 -0.22 0.00 0.00 54.13 53.32 1k1d s LEU 312 Cb -0.07 -1.56 -0.06 0.00 0.50 0.00 0.00 46.19 44.99 1k1d s LEU 312 CO 0.01 0.03 -0.07 -0.83 -1.32 0.00 0.00 176.35 174.17 1k1d s GLY 313 N 1.15 2.21 -0.15 7.98 0.00 0.13 -4.73 107.32 113.91 1k1d s GLY 313 Ca 0.01 -2.09 -0.04 0.00 0.00 0.00 0.00 44.72 42.60 1k1d s GLY 313 CO -0.06 -2.02 0.25 -1.14 0.00 0.00 0.00 173.10 170.13 1k1d n SER 314 N -0.84 2.03 -2.40 1.64 3.41 -1.25 -3.85 113.62 112.35 1k1d n SER 314 Ca -0.05 0.14 -0.16 0.00 -0.26 0.00 0.00 58.87 58.54 1k1d n SER 314 Cb 0.64 -0.72 0.04 0.00 -0.26 0.00 0.00 64.21 63.91 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 -3.41 -4.90 -4.68 4.04 2.03 -0.12 -4.79 116.55 104.72 1k1d n ASP 315 Ca -0.34 -0.28 -0.49 0.00 0.52 0.00 0.00 54.79 54.19 1k1d n ASP 315 Cb 1.04 -3.63 -0.05 0.00 -0.72 0.00 0.00 41.12 37.76 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 -3.33 2.02 -2.74 -0.67 -0.06 -1.13 -4.35 117.38 107.13 1k1d n GLN 316 Ca -0.04 0.74 -0.06 0.00 -2.00 0.00 0.00 57.00 55.64 1k1d n GLN 316 Cb 0.56 -2.54 0.04 0.00 -4.06 0.00 0.00 30.24 24.24 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 -0.72 6.13 -0.20 0.00 1.04 -1.26 -2.49 113.70 116.20 1k1d s SER 318 Ca 0.30 2.35 -0.08 0.00 0.48 0.00 0.00 55.95 59.00 1k1d s SER 318 Cb 0.16 -2.61 0.09 0.00 0.10 0.00 0.00 66.02 63.76 1k1d s SER 318 CO -0.17 -0.95 0.45 -0.36 0.98 0.00 0.00 173.24 173.20 1k1d s PHE 319 N -1.51 -0.81 0.16 5.02 0.08 -1.26 -1.36 117.98 118.29 1k1d s PHE 319 Ca 0.63 1.57 -0.33 0.00 0.12 0.00 0.00 56.93 58.93 1k1d s PHE 319 Cb -0.30 0.36 -0.13 0.00 -0.57 0.00 0.00 43.02 42.38 1k1d s PHE 319 CO 0.36 -0.47 1.65 -0.25 -0.10 0.00 0.00 175.22 176.42 1k1d n ASP 320 N 5.05 3.43 -0.02 1.36 8.00 -1.26 -4.61 116.55 128.49 1k1d n ASP 320 Ca -0.13 1.07 0.08 0.00 0.71 0.00 0.00 54.79 56.51 1k1d n ASP 320 Cb 0.51 -1.47 0.47 0.00 -0.02 0.00 0.00 41.12 40.61 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 6.49 0.45 0.00 1.24 3.57 -1.95 -0.78 116.94 125.95 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 1.24 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.83 1k1d h PHE 321 CO 0.65 0.25 0.00 1.63 -2.23 0.00 0.00 178.31 178.62 1k1d n LYS 322 N -4.48 0.00 0.06 1.11 5.02 -1.26 -3.23 118.16 115.39 1k1d n LYS 322 Ca 0.06 0.01 -0.11 0.00 -2.02 0.00 0.00 58.31 56.25 1k1d n LYS 322 Cb 0.20 -0.61 -0.08 0.00 -0.02 0.00 0.00 35.03 34.52 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 -0.24 0.00 0.72 0.00 -1.97 -3.31 103.07 98.27 1k1d h GLY 323 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1k1d h GLY 323 CO 0.00 -0.09 0.00 -1.06 0.00 0.00 0.00 176.54 175.39 1k1d n GLN 324 N -4.94 0.00 -0.39 4.80 6.02 -1.00 -3.43 117.38 118.45 1k1d n GLN 324 Ca -0.08 0.30 0.30 0.00 -0.01 0.00 0.00 57.00 57.52 1k1d n GLN 324 Cb 0.26 -1.29 0.58 0.00 1.02 0.00 0.00 30.24 30.82 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 0.20 0.00 -1.09 1.79 -1.27 0.37 116.57 116.58 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 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.60 1k1d h LYS 325 CO 0.00 0.14 0.00 0.39 -1.08 0.00 0.00 179.45 178.90 1k1d n GLU 326 N -4.74 0.07 0.10 3.15 1.02 -1.20 -2.81 120.64 116.24 1k1d n GLU 326 Ca 0.33 0.38 0.19 0.00 -0.02 0.00 0.00 57.16 58.05 1k1d n GLU 326 Cb 1.19 -1.66 0.76 0.00 -0.02 0.00 0.00 31.44 31.70 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 -6.19 -4.62 3.38 -0.27 -2.78 115.31 104.82 1k1d h LEU 327 Ca 0.00 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 57.27 1k1d h LEU 327 Cb 0.22 0.00 -0.35 0.00 0.09 0.00 0.00 40.66 40.62 1k1d h LEU 327 CO 0.00 0.00 0.13 0.61 0.09 0.00 0.00 178.44 179.27 1k1d n GLY 328 N -1.50 5.40 0.00 0.83 0.00 -1.12 -4.79 105.19 104.00 1k1d n GLY 328 Ca 0.06 -2.71 0.00 0.00 0.00 0.00 0.00 46.02 43.37 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 0.51 0.00 0.00 1.61 5.12 -1.05 -3.88 116.66 118.97 1k1d n ARG 329 Ca 0.33 0.06 0.00 0.00 -1.93 0.00 0.00 57.85 56.31 1k1d n ARG 329 Cb 0.35 -0.77 0.00 0.00 -1.16 0.00 0.00 32.46 30.88 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 1.18 1.36 2.98 -0.13 0.00 -1.26 -4.49 105.19 104.83 1k1d n GLY 330 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.06 -0.21 0.25 1.61 -1.08 -1.25 -4.81 116.67 111.12 1k1d s ASP 331 Ca 0.00 0.18 -0.03 0.00 -0.52 0.00 0.00 52.55 52.18 1k1d s ASP 331 Cb 0.00 1.41 0.31 0.00 -1.46 0.00 0.00 42.92 43.18 1k1d s ASP 331 CO 0.00 -0.31 1.78 2.19 0.52 0.00 0.00 175.17 179.35 1k1d h PHE 332 N 8.12 0.94 0.00 -5.34 -0.00 -1.56 -1.89 116.94 117.21 1k1d h PHE 332 Ca -0.16 -0.10 0.00 0.00 -0.00 0.00 0.00 57.97 57.71 1k1d h PHE 332 Cb 1.15 -0.27 0.00 0.00 -0.00 0.00 0.00 35.95 36.83 1k1d h PHE 332 CO 0.17 0.80 0.05 0.25 -0.00 0.00 0.00 178.31 179.58 1k1d n THR 333 N -4.25 1.45 0.35 0.88 -2.24 -1.26 -0.44 114.28 108.77 1k1d n THR 333 Ca 0.04 0.61 0.11 0.00 -2.27 0.00 0.00 64.05 62.54 1k1d n THR 333 Cb 0.26 -1.61 0.19 0.00 -2.10 0.00 0.00 70.33 67.07 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 -1.80 2.43 -2.81 -0.78 5.02 -0.71 -4.88 118.16 114.62 1k1d n LYS 334 Ca -0.01 -2.21 -0.42 0.00 -2.02 0.00 0.00 58.31 53.66 1k1d n LYS 334 Cb 0.06 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.55 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 -1.49 4.85 0.03 -0.18 1.01 0.42 -2.93 121.20 122.91 1k1d s ILE 335 Ca 0.36 1.80 -0.30 0.00 0.00 0.00 0.00 60.65 62.51 1k1d s ILE 335 Cb 0.22 -4.21 -0.07 0.00 0.01 0.00 0.00 42.46 38.40 1k1d s ILE 335 CO 0.30 0.04 1.64 -2.16 0.00 0.00 0.00 174.94 174.76 1k1d s PRO 336 N 1.96 4.20 0.21 2.79 0.04 -1.26 -4.94 135.00 137.99 1k1d s PRO 336 Ca 0.43 2.27 -0.30 0.00 0.04 0.00 0.00 61.00 63.44 1k1d s PRO 336 Cb -0.17 -3.72 -0.09 0.00 0.04 0.00 0.00 34.50 30.56 1k1d s PRO 336 CO 0.15 -0.76 1.21 -0.80 0.04 0.00 0.00 177.00 176.85 1k1d s ASN 337 N 2.69 7.05 0.00 6.66 0.02 -1.26 -4.88 114.94 125.22 1k1d s ASN 337 Ca 0.73 2.31 0.00 0.00 -1.02 0.00 0.00 52.86 54.88 1k1d s ASN 337 Cb -0.37 -2.61 0.00 0.00 0.02 0.00 0.00 41.25 38.28 1k1d s ASN 337 CO 0.31 -0.38 0.00 0.61 0.02 0.00 0.00 177.10 177.66 1k1d n GLY 338 N 1.98 4.80 3.22 0.66 0.00 -0.70 -4.93 105.19 110.21 1k1d n GLY 338 Ca 0.04 -1.13 -0.17 0.00 0.00 0.00 0.00 46.02 44.76 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 1.00 -0.93 -0.02 0.00 -1.04 -4.64 107.32 101.69 1k1d s GLY 339 Ca 0.00 -1.23 -0.24 0.00 0.00 0.00 0.00 44.72 43.24 1k1d s GLY 339 CO 0.00 -1.29 1.49 2.56 0.00 0.00 0.00 173.10 175.85 1k1d s PRO 340 N -2.60 3.35 0.00 2.90 0.04 -1.26 -1.87 135.00 135.56 1k1d s PRO 340 Ca 0.07 -0.76 0.00 0.00 0.04 0.00 0.00 61.00 60.35 1k1d s PRO 340 Cb -0.05 -5.03 0.00 0.00 0.04 0.00 0.00 34.50 29.46 1k1d s PRO 340 CO 0.02 -2.35 0.00 -0.89 0.04 0.00 0.00 177.00 173.82 1k1d n ILE 341 N 6.90 0.00 0.30 0.56 5.41 -1.26 -4.42 119.36 126.85 1k1d n ILE 341 Ca 0.27 0.00 0.09 0.00 1.00 0.00 0.00 62.75 64.11 1k1d n ILE 341 Cb 0.50 0.32 0.48 0.00 -0.71 0.00 0.00 39.64 40.23 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 0.05 1.39 2.10 -1.87 -2.71 117.51 116.48 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 0.01 0.39 -0.04 0.00 -1.09 0.00 0.00 36.82 36.09 1k1d h ILE 342 CO 0.00 0.00 -2.11 1.21 -1.08 0.00 0.00 178.15 176.17 1k1d n GLU 343 N -2.58 0.70 -0.04 2.19 2.13 -1.26 -4.17 120.64 117.61 1k1d n GLU 343 Ca -0.01 0.21 0.12 0.00 0.66 0.00 0.00 57.16 58.14 1k1d n GLU 343 Cb 0.56 -1.66 0.20 0.00 0.27 0.00 0.00 31.44 30.81 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 -3.23 2.80 -0.01 4.31 8.00 -1.03 -3.88 116.55 123.50 1k1d n ASP 344 Ca -0.32 -1.91 -0.02 0.00 0.71 0.00 0.00 54.79 53.25 1k1d n ASP 344 Cb 1.05 -0.05 -0.01 0.00 -0.02 0.00 0.00 41.12 42.08 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 4.20 -0.06 -0.09 -1.24 2.43 -1.75 -1.05 114.38 116.82 1k1d h ARG 345 Ca 0.00 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.22 1k1d h ARG 345 Cb 0.90 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.40 1k1d h ARG 345 CO 0.00 -0.04 -0.30 0.28 -1.51 0.00 0.00 179.97 178.40 1k1d h VAL 346 N -0.06 0.32 -0.28 0.20 2.07 -1.82 -2.89 116.25 113.79 1k1d h VAL 346 Ca 0.01 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.59 1k1d h VAL 346 Cb 0.08 0.32 -0.08 0.00 -1.52 0.00 0.00 31.29 30.09 1k1d h VAL 346 CO -0.07 0.00 -0.35 0.28 0.02 0.00 0.00 177.57 177.45 1k1d h SER 347 N -0.40 -1.14 -0.73 0.57 0.02 -1.72 -2.10 113.55 108.05 1k1d h SER 347 Ca 0.09 0.18 0.13 0.00 -0.84 0.00 0.00 61.79 61.34 1k1d h SER 347 Cb 0.53 0.50 -0.09 0.00 0.14 0.00 0.00 62.40 63.48 1k1d h SER 347 CO -0.31 -0.35 0.31 0.40 -1.14 0.00 0.00 176.83 175.73 1k1d h ILE 348 N -0.34 0.71 -0.64 3.27 2.04 -1.06 0.32 117.51 121.81 1k1d h ILE 348 Ca 0.13 -0.16 -0.08 0.00 1.00 0.00 0.00 64.86 65.75 1k1d h ILE 348 Cb 0.56 0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 1k1d h ILE 348 CO -0.47 0.09 0.10 0.25 0.00 0.00 0.00 178.15 178.12 1k1d h LEU 349 N 0.48 1.01 0.07 1.44 5.85 -1.21 0.48 115.31 123.42 1k1d h LEU 349 Ca 0.39 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 1k1d h LEU 349 Cb 0.55 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.32 1k1d h LEU 349 CO -0.37 1.00 -0.03 0.15 -0.34 0.00 0.00 178.44 178.85 1k1d h PHE 350 N 0.99 -0.09 0.10 1.25 3.57 -0.66 0.49 116.94 122.59 1k1d h PHE 350 Ca 0.20 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.69 1k1d h PHE 350 Cb 0.42 0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.19 1k1d h PHE 350 CO 0.03 0.10 -0.05 1.03 -2.23 0.00 0.00 178.31 177.20 1k1d h SER 351 N -0.26 -0.12 0.05 0.41 0.87 -0.75 0.20 113.55 113.95 1k1d h SER 351 Ca -0.01 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.52 1k1d h SER 351 Cb 0.23 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 1k1d h SER 351 CO 0.02 -0.07 -0.10 -0.33 -0.53 0.00 0.00 176.83 175.82 1k1d h GLU 352 N -0.16 0.11 0.00 2.24 4.39 -0.16 -3.12 114.58 117.88 1k1d h GLU 352 Ca -0.01 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1k1d h GLU 352 Cb 0.10 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1k1d h GLU 352 CO 0.02 0.22 0.00 0.41 -1.16 0.00 0.00 179.01 178.51 1k1d n GLY 353 N -1.10 0.55 0.00 -3.84 0.00 0.17 -4.25 105.19 96.71 1k1d n GLY 353 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.55 0.00 0.08 1.61 0.31 -0.68 -1.98 118.33 117.11 1k1d n VAL 354 Ca 0.00 1.46 0.20 0.00 -0.01 0.00 0.00 64.34 65.99 1k1d n VAL 354 Cb 0.00 -2.06 0.62 0.00 -0.91 0.00 0.00 33.84 31.49 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 -0.38 5.55 1.79 -0.63 -1.93 116.57 120.97 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 -3.34 2.35 0.00 3.15 5.02 -0.84 -4.99 118.16 119.52 1k1d n LYS 356 Ca 0.09 -2.12 0.00 0.00 -2.02 0.00 0.00 58.31 54.26 1k1d n LYS 356 Cb 0.84 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 34.44 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 1.12 2.30 3.87 0.72 0.00 -0.73 -5.02 105.19 107.45 1k1d n GLY 357 Ca 0.16 0.00 -0.30 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 -0.23 3.73 0.41 1.61 0.52 -0.98 -4.90 118.95 119.11 1k1d s ARG 358 Ca 0.00 0.60 0.00 0.00 -0.52 0.00 0.00 55.73 55.81 1k1d s ARG 358 Cb 0.00 -2.25 0.00 0.00 0.52 0.00 0.00 34.95 33.22 1k1d s ARG 358 CO 0.00 -0.25 0.00 -0.89 0.02 0.00 0.00 175.30 174.18 1k1d n ILE 359 N -1.90 0.00 -4.40 1.52 5.41 -1.26 -2.78 119.36 115.94 1k1d n ILE 359 Ca 0.04 0.39 -0.20 0.00 1.00 0.00 0.00 62.75 63.97 1k1d n ILE 359 Cb 0.54 -0.81 -0.10 0.00 -0.71 0.00 0.00 39.64 38.56 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 -3.15 1.68 0.42 1.39 2.01 -1.26 -4.62 115.64 112.11 1k1d s THR 360 Ca 0.00 -2.15 0.11 0.00 0.31 0.00 0.00 61.69 59.96 1k1d s THR 360 Cb 0.00 -2.33 0.31 0.00 0.01 0.00 0.00 72.50 70.48 1k1d s THR 360 CO 0.00 -0.38 2.00 0.25 -0.69 0.00 0.00 174.62 175.80 1k1d h LEU 361 N 2.36 0.41 0.11 4.42 5.85 -1.92 0.39 115.31 126.92 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 1.23 -0.09 0.02 0.00 0.37 0.00 0.00 40.66 42.20 1k1d h LEU 361 CO 0.65 0.27 -0.87 0.78 -0.34 0.00 0.00 178.44 178.93 1k1d h ASN 362 N 0.47 0.58 -0.92 1.25 2.35 -1.87 -3.05 115.58 114.39 1k1d h ASN 362 Ca 0.24 -0.88 0.05 0.00 -0.55 0.00 0.00 56.30 55.17 1k1d h ASN 362 Cb 0.35 -0.19 -0.06 0.00 0.05 0.00 0.00 38.32 38.48 1k1d h ASN 362 CO -0.07 1.40 0.60 1.56 -1.65 0.00 0.00 177.43 179.28 1k1d h GLN 363 N -0.15 1.06 0.17 0.81 4.20 -1.60 -0.66 115.11 118.94 1k1d h GLN 363 Ca -0.14 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.52 1k1d h GLN 363 Cb 1.63 -0.24 -0.04 0.00 0.30 0.00 0.00 27.48 29.13 1k1d h GLN 363 CO 0.17 0.70 -0.43 0.35 -0.67 0.00 0.00 178.83 178.95 1k1d h PHE 364 N 1.09 -1.20 -0.85 2.96 3.57 -0.28 0.54 116.94 122.77 1k1d h PHE 364 Ca 0.39 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.96 1k1d h PHE 364 Cb 0.13 0.50 -0.05 0.00 2.79 0.00 0.00 35.95 39.32 1k1d h PHE 364 CO -0.00 -0.53 0.56 0.28 -2.23 0.00 0.00 178.31 176.38 1k1d h VAL 365 N -0.70 1.11 0.02 1.41 2.07 -1.30 -1.28 116.25 117.60 1k1d h VAL 365 Ca 0.01 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 1k1d h VAL 365 Cb 0.70 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1k1d h VAL 365 CO -0.22 0.19 -0.01 -0.78 0.02 0.00 0.00 177.57 176.77 1k1d h ASP 366 N 1.03 -0.03 0.19 0.57 3.58 -0.20 -0.63 116.42 120.93 1k1d h ASP 366 Ca 0.35 -0.35 -0.02 0.00 0.42 0.00 0.00 57.03 57.42 1k1d h ASP 366 Cb 0.09 0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.14 1k1d h ASP 366 CO -0.11 0.34 -0.11 0.40 -2.88 0.00 0.00 179.24 176.88 1k1d h ILE 367 N -0.40 0.78 0.00 2.25 2.04 0.48 -2.19 117.51 120.48 1k1d h ILE 367 Ca -0.00 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.45 1k1d h ILE 367 Cb 0.38 1.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 1k1d h ILE 367 CO 0.01 0.10 -1.42 0.52 0.00 0.00 0.00 178.15 177.36 1k1d n VAL 368 N -3.99 0.00 0.00 1.67 0.31 -0.52 -1.51 118.33 114.29 1k1d n VAL 368 Ca -0.02 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 1k1d n VAL 368 Cb 0.19 0.45 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 -1.84 0.00 -0.05 4.52 2.88 -0.26 -1.51 113.62 117.36 1k1d n SER 369 Ca -0.01 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.49 1k1d n SER 369 Cb 0.38 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.81 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 -0.96 2.46 2.02 -1.50 -0.45 112.91 114.47 1k1d h THR 370 Ca 0.00 0.00 0.30 0.00 0.77 0.00 0.00 66.41 67.48 1k1d h THR 370 Cb 0.00 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.26 1k1d h THR 370 CO 0.00 0.00 0.44 -0.09 0.37 0.00 0.00 175.52 176.24 1k1d h ARG 371 N -0.13 0.24 0.16 6.66 9.65 -1.66 0.59 114.38 129.90 1k1d h ARG 371 Ca 0.02 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.88 1k1d h ARG 371 Cb 0.20 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 28.72 1k1d h ARG 371 CO -0.20 0.16 -0.08 0.82 2.80 0.00 0.00 179.97 183.47 1k1d h ILE 372 N 0.25 0.97 -0.85 1.20 2.04 -1.58 -1.30 117.51 118.24 1k1d h ILE 372 Ca 0.68 -0.69 0.18 0.00 1.00 0.00 0.00 64.86 66.04 1k1d h ILE 372 Cb 1.52 1.39 -0.11 0.00 -0.74 0.00 0.00 36.82 38.88 1k1d h ILE 372 CO -0.65 0.16 0.38 0.00 0.00 0.00 0.00 178.15 178.04 1k1d h ALA 373 N 0.22 1.30 0.42 1.87 0.00 0.71 -0.75 119.26 123.03 1k1d h ALA 373 Ca -0.02 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1k1d h ALA 373 Cb 0.42 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1k1d h ALA 373 CO 0.04 -0.24 -0.20 0.87 0.00 0.00 0.00 179.25 179.71 1k1d h LYS 374 N 0.47 -0.55 -0.40 0.00 1.57 -0.97 0.38 116.57 117.07 1k1d h LYS 374 Ca 0.50 0.04 0.10 0.00 -1.87 0.00 0.00 60.65 59.42 1k1d h LYS 374 Cb 0.84 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.26 1k1d h LYS 374 CO -0.46 -0.24 0.29 -0.07 -0.57 0.00 0.00 179.45 178.40 1k1d h LEU 375 N -0.85 0.07 -3.48 2.94 3.38 -0.64 -2.49 115.31 114.24 1k1d h LEU 375 Ca -0.06 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.75 1k1d h LEU 375 Cb 0.55 -0.01 -0.10 0.00 0.09 0.00 0.00 40.66 41.19 1k1d h LEU 375 CO 0.10 0.04 0.10 0.49 0.09 0.00 0.00 178.44 179.26 1k1d n PHE 376 N -4.44 1.56 -3.61 1.13 3.72 -0.34 -4.87 117.46 110.61 1k1d n PHE 376 Ca 0.06 -1.29 -0.22 0.00 -0.05 0.00 0.00 57.45 55.95 1k1d n PHE 376 Cb 0.43 -0.53 0.04 0.00 -0.94 0.00 0.00 39.48 38.48 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 -0.69 -0.55 0.00 1.37 0.00 -0.93 -4.43 105.19 99.96 1k1d n GLY 377 Ca 0.34 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.61 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 -4.09 0.68 -4.83 0.99 4.77 0.13 -1.23 117.00 113.43 1k1d n LEU 378 Ca -0.23 -0.68 -0.38 0.00 -0.03 0.00 0.00 56.01 54.69 1k1d n LEU 378 Cb 0.65 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.68 1k1d n LEU 378 CO 0.66 0.17 0.16 0.12 -1.33 0.00 0.00 177.39 177.17 1k1d s PHE 379 N -0.01 3.75 -0.34 -1.77 2.19 -1.12 0.84 117.98 121.53 1k1d s PHE 379 Ca 0.00 1.09 0.11 0.00 0.33 0.00 0.00 56.93 58.45 1k1d s PHE 379 Cb 0.00 -2.36 0.71 0.00 -1.31 0.00 0.00 43.02 40.06 1k1d s PHE 379 CO 0.00 0.63 1.65 -0.35 1.83 0.00 0.00 175.22 178.98 1k1d n PRO 380 N 1.77 4.08 -0.14 10.12 -0.04 -1.26 -4.89 135.00 144.63 1k1d n PRO 380 Ca -0.13 -2.79 -0.09 0.00 -0.04 0.00 0.00 63.50 60.45 1k1d n PRO 380 Cb 0.52 -2.17 -0.00 0.00 -0.04 0.00 0.00 33.50 31.81 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 3.09 0.64 -5.57 0.54 3.64 -1.52 -3.39 116.57 114.01 1k1d h LYS 381 Ca 0.10 -0.12 -0.64 0.00 -1.27 0.00 0.00 60.65 58.72 1k1d h LYS 381 Cb 1.98 -0.10 -0.13 0.00 -0.41 0.00 0.00 32.23 33.57 1k1d h LYS 381 CO 0.54 0.60 -0.58 0.15 -2.27 0.00 0.00 179.45 177.89 1k1d s LYS 382 N -5.52 2.01 0.00 1.90 -0.14 0.25 -1.28 119.74 116.95 1k1d s LYS 382 Ca -0.13 -2.17 0.00 0.00 -1.36 0.00 0.00 55.97 52.31 1k1d s LYS 382 Cb 0.10 -1.62 0.00 0.00 -1.68 0.00 0.00 37.83 34.64 1k1d s LYS 382 CO 0.76 -0.11 0.00 0.41 -0.76 0.00 0.00 175.35 175.65 1k1d n GLY 383 N -1.03 0.79 3.65 -3.33 0.00 -1.26 -4.14 105.19 99.87 1k1d n GLY 383 Ca -0.08 0.00 -0.09 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 -2.99 0.00 -0.66 2.61 -1.32 -1.26 -3.34 115.64 108.69 1k1d s THR 384 Ca 0.00 -0.50 -0.02 0.00 -1.21 0.00 0.00 61.69 59.96 1k1d s THR 384 Cb 0.00 -1.54 0.17 0.00 -1.51 0.00 0.00 72.50 69.62 1k1d s THR 384 CO 0.00 0.00 0.48 -0.63 -2.21 0.00 0.00 174.62 172.26 1k1d s ILE 385 N -3.72 3.71 -0.00 5.08 1.01 -1.26 -4.82 121.20 121.19 1k1d s ILE 385 Ca 0.07 -3.15 -0.16 0.00 0.00 0.00 0.00 60.65 57.41 1k1d s ILE 385 Cb -0.03 -3.41 0.03 0.00 0.01 0.00 0.00 42.46 39.06 1k1d s ILE 385 CO -0.02 -0.91 0.34 -0.69 0.00 0.00 0.00 174.94 173.66 1k1d s VAL 386 N -0.30 0.06 -0.27 2.92 1.01 -1.26 -5.00 120.40 117.56 1k1d s VAL 386 Ca 0.19 -0.47 -0.41 0.00 0.00 0.00 0.00 61.98 61.28 1k1d s VAL 386 Cb -0.19 -0.72 -0.17 0.00 0.00 0.00 0.00 36.38 35.31 1k1d s VAL 386 CO -0.04 -0.26 1.66 0.52 0.00 0.00 0.00 175.10 176.98 1k1d n VAL 387 N 1.08 0.22 0.00 2.92 0.31 -1.26 -0.61 118.33 120.99 1k1d n VAL 387 Ca -0.21 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 1k1d n VAL 387 Cb 0.57 -1.03 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 3.92 2.16 3.81 2.92 0.00 -0.25 -4.99 105.19 112.76 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 0.25 5.74 0.58 1.61 0.01 0.22 -4.70 113.70 117.41 1k1d s SER 389 Ca 0.00 1.79 -0.20 0.00 1.31 0.00 0.00 55.95 58.84 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 -1.19 1.29 0.47 0.41 0.00 0.00 173.24 174.21 1k1d n ASP 390 N -2.17 2.27 -2.85 2.44 9.92 -0.40 -1.41 116.55 124.34 1k1d n ASP 390 Ca 0.09 0.92 -0.30 0.00 -0.53 0.00 0.00 54.79 54.97 1k1d n ASP 390 Cb 0.53 -1.54 -0.08 0.00 -0.64 0.00 0.00 41.12 39.39 1k1d n ASP 390 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1k1d n ALA 391 N -1.33 7.13 -2.99 2.24 0.00 0.19 -4.65 120.51 121.10 1k1d n ALA 391 Ca 0.12 -2.95 -0.44 0.00 0.00 0.00 0.00 53.44 50.17 1k1d n ALA 391 Cb 0.46 -2.98 -0.04 0.00 0.00 0.00 0.00 19.45 16.89 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 2.03 6.27 0.28 0.00 1.11 -1.26 -1.89 116.67 123.21 1k1d s ASP 392 Ca 0.68 -1.40 0.09 0.00 0.18 0.00 0.00 52.55 52.10 1k1d s ASP 392 Cb 0.23 -2.36 -0.05 0.00 1.07 0.00 0.00 42.92 41.80 1k1d s ASP 392 CO -0.04 -1.22 -0.12 -0.76 1.18 0.00 0.00 175.17 174.21 1k1d s LEU 393 N 3.16 2.58 -0.06 1.23 1.43 0.42 -0.23 118.68 127.20 1k1d s LEU 393 Ca 0.19 -1.12 -0.02 0.00 -1.03 0.00 0.00 54.13 52.16 1k1d s LEU 393 Cb -0.18 -0.84 0.03 0.00 0.03 0.00 0.00 46.19 45.24 1k1d s LEU 393 CO 0.05 -0.18 0.03 -0.69 0.23 0.00 0.00 176.35 175.78 1k1d s VAL 394 N -2.79 0.16 -0.50 -1.59 1.01 -0.36 -1.39 120.40 114.94 1k1d s VAL 394 Ca 0.29 0.25 -0.19 0.00 0.00 0.00 0.00 61.98 62.33 1k1d s VAL 394 Cb 0.00 -0.37 0.06 0.00 0.00 0.00 0.00 36.38 36.07 1k1d s VAL 394 CO 0.13 0.22 0.59 -0.63 0.00 0.00 0.00 175.10 175.40 1k1d s ILE 395 N 2.06 4.92 -0.09 2.22 1.01 0.18 -1.24 121.20 130.26 1k1d s ILE 395 Ca 0.05 -0.52 -0.03 0.00 0.00 0.00 0.00 60.65 60.14 1k1d s ILE 395 Cb -0.12 -4.26 -0.04 0.00 0.01 0.00 0.00 42.46 38.05 1k1d s ILE 395 CO -0.04 -0.75 0.05 0.12 0.00 0.00 0.00 174.94 174.31 1k1d s PHE 396 N 2.51 3.30 -0.37 3.97 5.36 0.00 0.11 117.98 132.86 1k1d s PHE 396 Ca 0.14 0.30 -0.11 0.00 -0.96 0.00 0.00 56.93 56.30 1k1d s PHE 396 Cb -0.19 -1.83 0.03 0.00 -0.34 0.00 0.00 43.02 40.69 1k1d s PHE 396 CO 0.12 0.56 0.20 0.34 -1.46 0.00 0.00 175.22 174.98 1k1d s ASP 397 N -0.98 5.70 0.00 6.13 -1.08 0.31 -0.85 116.67 125.90 1k1d s ASP 397 Ca 0.14 -1.04 0.23 0.00 -0.52 0.00 0.00 52.55 51.36 1k1d s ASP 397 Cb -0.12 -2.01 1.07 0.00 -1.46 0.00 0.00 42.92 40.40 1k1d s ASP 397 CO 0.03 -0.39 1.74 -0.81 0.52 0.00 0.00 175.17 176.26 1k1d n PRO 398 N 4.98 0.17 -0.03 4.34 -0.04 -1.26 -0.03 135.00 143.13 1k1d n PRO 398 Ca -0.12 0.09 -0.01 0.00 -0.04 0.00 0.00 63.50 63.42 1k1d n PRO 398 Cb 0.46 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.33 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 -1.39 2.47 -4.66 3.54 3.02 -1.26 -3.91 115.26 113.08 1k1d n ASN 399 Ca 0.08 0.00 -0.54 0.00 -0.03 0.00 0.00 54.58 54.09 1k1d n ASN 399 Cb 0.22 1.02 -0.07 0.00 -0.61 0.00 0.00 39.78 40.34 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 0.36 -3.66 2.41 5.41 -1.26 -4.50 119.36 115.92 1k1d n ILE 400 Ca -0.12 -0.10 -0.36 0.00 1.00 0.00 0.00 62.75 63.18 1k1d n ILE 400 Cb 0.64 -1.46 -0.06 0.00 -0.71 0.00 0.00 39.64 38.06 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 4.17 3.70 0.37 0.38 2.02 -1.26 0.01 118.70 128.09 1k1d s GLU 401 Ca 0.99 0.11 -0.13 0.00 0.02 0.00 0.00 54.97 55.96 1k1d s GLU 401 Cb -0.94 -3.10 0.05 0.00 0.10 0.00 0.00 34.13 30.24 1k1d s GLU 401 CO 0.60 0.65 0.73 2.89 0.02 0.00 0.00 175.26 180.15 1k1d n ARG 402 N 1.34 1.05 -4.12 1.61 1.85 -0.10 -4.99 116.66 113.30 1k1d n ARG 402 Ca -0.12 -2.14 -0.27 0.00 -1.00 0.00 0.00 57.85 54.33 1k1d n ARG 402 Cb 0.53 2.62 -0.17 0.00 -1.05 0.00 0.00 32.46 34.39 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 -2.19 1.13 0.04 8.89 1.01 -1.26 -0.21 120.40 127.81 1k1d s VAL 403 Ca 0.16 -0.39 -0.30 0.00 0.00 0.00 0.00 61.98 61.44 1k1d s VAL 403 Cb -0.04 -1.10 -0.07 0.00 0.00 0.00 0.00 36.38 35.16 1k1d s VAL 403 CO 0.12 0.38 1.56 -0.63 0.00 0.00 0.00 175.10 176.52 1k1d s ILE 404 N 1.37 3.31 -0.07 2.22 1.01 0.69 -4.85 121.20 124.88 1k1d s ILE 404 Ca -0.01 0.72 -0.07 0.00 0.00 0.00 0.00 60.65 61.30 1k1d s ILE 404 Cb -0.14 -3.46 0.02 0.00 0.01 0.00 0.00 42.46 38.89 1k1d s ILE 404 CO -0.05 -0.01 0.20 -0.55 0.00 0.00 0.00 174.94 174.53 1k1d s SER 405 N 2.25 -0.20 0.59 3.58 0.15 -1.26 0.30 113.70 119.11 1k1d s SER 405 Ca 0.70 0.39 0.39 0.00 0.70 0.00 0.00 55.95 58.13 1k1d s SER 405 Cb -0.36 0.40 2.05 0.00 -1.71 0.00 0.00 66.02 66.39 1k1d s SER 405 CO 0.30 -0.07 2.19 0.00 1.20 0.00 0.00 173.24 176.86 1k1d h ALA 406 N 5.83 1.00 0.00 5.45 0.00 -1.90 0.46 119.26 130.10 1k1d h ALA 406 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1k1d h ALA 406 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1k1d h ALA 406 CO 0.38 0.00 0.00 -1.91 0.00 0.00 0.00 179.25 177.72 1k1d n GLU 407 N -2.94 0.14 0.00 0.00 4.07 -1.26 -3.70 120.64 116.96 1k1d n GLU 407 Ca -0.02 0.36 0.00 0.00 -0.06 0.00 0.00 57.16 57.44 1k1d n GLU 407 Cb 0.11 -1.77 0.00 0.00 -0.06 0.00 0.00 31.44 29.72 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 -2.03 0.00 -0.96 6.31 -1.04 0.14 -5.07 114.28 111.62 1k1d n THR 408 Ca 0.03 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.70 1k1d n THR 408 Cb 0.22 -0.85 0.12 0.00 -1.82 0.00 0.00 70.33 68.00 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 -1.89 -0.28 -0.91 -1.42 1.44 0.03 -4.92 115.22 107.26 1k1d n HIS 409 Ca 0.00 0.33 0.08 0.00 -2.01 0.00 0.00 57.72 56.12 1k1d n HIS 409 Cb 0.45 -1.93 0.32 0.00 0.12 0.00 0.00 29.99 28.95 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 -3.34 1.42 -3.20 -1.40 -0.00 -1.26 -4.97 115.22 102.47 1k1d n HIS 410 Ca 0.10 -0.79 -0.30 0.00 -0.00 0.00 0.00 57.72 56.73 1k1d n HIS 410 Cb 0.52 -0.38 -0.04 0.00 -0.00 0.00 0.00 29.99 30.09 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 -2.69 3.71 0.00 -0.41 -1.94 -1.26 -4.34 119.30 112.37 1k1d s MET 411 Ca 0.47 0.20 0.00 0.00 -1.71 0.00 0.00 55.69 54.65 1k1d s MET 411 Cb 0.36 -2.56 0.00 0.00 2.01 0.00 0.00 34.83 34.64 1k1d s MET 411 CO 0.13 0.15 0.86 0.00 -0.01 0.00 0.00 175.02 176.15 1k1d n ALA 412 N -0.91 2.43 -2.24 3.03 0.00 -1.26 -4.87 120.51 116.69 1k1d n ALA 412 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1k1d n ALA 412 Cb 0.54 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.93 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 -1.85 4.77 -2.00 0.00 -7.23 -1.26 -4.84 120.40 108.00 1k1d s VAL 413 Ca 0.00 0.75 0.20 0.00 -1.81 0.00 0.00 61.98 61.12 1k1d s VAL 413 Cb 0.00 -3.62 0.56 0.00 0.56 0.00 0.00 36.38 33.88 1k1d s VAL 413 CO 0.00 -0.18 1.68 -0.90 -0.31 0.00 0.00 175.10 175.39 1k1d n ASP 414 N -0.38 0.00 -3.90 4.85 5.68 -1.26 -4.85 116.55 116.69 1k1d n ASP 414 Ca 0.02 -1.17 -0.09 0.00 -0.50 0.00 0.00 54.79 53.06 1k1d n ASP 414 Cb 0.53 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.47 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 0.31 -0.05 2.11 1.13 -1.26 -4.91 117.35 112.67 1k1d s TYR 415 Ca 0.29 -0.69 -0.02 0.00 -1.41 0.00 0.00 57.07 55.25 1k1d s TYR 415 Cb 0.14 0.28 0.03 0.00 -1.10 0.00 0.00 41.96 41.30 1k1d s TYR 415 CO 0.23 -1.06 0.03 1.21 -2.51 0.00 0.00 175.55 173.45 1k1d s ASN 416 N -3.02 1.27 0.61 -0.18 3.84 -1.26 -4.87 114.94 111.33 1k1d s ASN 416 Ca 0.21 0.00 0.30 0.00 0.21 0.00 0.00 52.86 53.58 1k1d s ASN 416 Cb -0.02 -0.28 1.62 0.00 -0.55 0.00 0.00 41.25 42.02 1k1d s ASN 416 CO 0.09 -0.21 1.90 0.00 -2.79 0.00 0.00 177.10 176.09 1k1d h ALA 417 N 8.29 1.26 -0.53 1.71 0.00 -1.90 -0.77 119.26 127.32 1k1d h ALA 417 Ca -0.18 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.43 1k1d h ALA 417 Cb 1.12 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.73 1k1d h ALA 417 CO 0.22 -0.26 -0.00 1.19 0.00 0.00 0.00 179.25 180.41 1k1d n PHE 418 N -2.79 1.69 -1.68 0.00 3.72 -1.26 -5.03 117.46 112.10 1k1d n PHE 418 Ca -0.02 -1.84 -0.45 0.00 -0.05 0.00 0.00 57.45 55.09 1k1d n PHE 418 Cb 0.31 -0.62 -0.04 0.00 -0.94 0.00 0.00 39.48 38.20 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 -1.07 2.40 0.00 -1.08 4.07 -0.30 -1.20 120.64 123.46 1k1d n GLU 419 Ca 0.40 0.87 0.00 0.00 -0.06 0.00 0.00 57.16 58.37 1k1d n GLU 419 Cb 1.07 -2.68 0.00 0.00 -0.06 0.00 0.00 31.44 29.77 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 3.78 2.35 3.72 8.31 0.00 0.15 -5.00 105.19 118.50 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 -0.26 4.26 0.07 1.61 0.00 -0.34 -4.72 119.30 119.91 1k1d s MET 421 Ca 0.00 2.26 -0.25 0.00 0.00 0.00 0.00 55.69 57.70 1k1d s MET 421 Cb 0.00 -3.18 -0.06 0.00 0.00 0.00 0.00 34.83 31.59 1k1d s MET 421 CO 0.00 -0.52 0.75 0.21 0.00 0.00 0.00 175.02 175.46 1k1d s LYS 422 N 0.93 4.49 0.00 4.11 2.20 -1.26 -0.22 119.74 129.99 1k1d s LYS 422 Ca 0.67 1.06 0.01 0.00 -0.36 0.00 0.00 55.97 57.35 1k1d s LYS 422 Cb -0.41 -3.34 -0.01 0.00 -1.51 0.00 0.00 37.83 32.56 1k1d s LYS 422 CO 0.32 0.35 -0.04 0.08 -0.36 0.00 0.00 175.35 175.70 1k1d s VAL 423 N -0.31 0.33 -0.13 4.02 1.01 0.71 -4.94 120.40 121.08 1k1d s VAL 423 Ca 0.37 -0.29 -0.05 0.00 0.00 0.00 0.00 61.98 62.02 1k1d s VAL 423 Cb -0.21 -0.30 -0.04 0.00 0.00 0.00 0.00 36.38 35.83 1k1d s VAL 423 CO 0.23 0.02 0.03 -0.89 0.00 0.00 0.00 175.10 174.49 1k1d s THR 424 N -0.28 4.52 0.00 3.92 2.01 -1.26 -0.93 115.64 123.63 1k1d s THR 424 Ca -0.00 -0.15 0.00 0.00 0.31 0.00 0.00 61.69 61.85 1k1d s THR 424 Cb -0.03 -2.97 0.00 0.00 0.01 0.00 0.00 72.50 69.51 1k1d s THR 424 CO -0.00 0.54 0.00 0.61 -0.69 0.00 0.00 174.62 175.08 1k1d n GLY 425 N 2.86 1.11 3.60 4.40 0.00 0.10 -4.02 105.19 113.25 1k1d n GLY 425 Ca -0.18 -1.57 -0.14 0.00 0.00 0.00 0.00 46.02 44.14 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 -4.59 0.79 0.15 1.61 2.12 0.96 -4.89 118.70 114.86 1k1d s GLU 426 Ca 0.00 0.68 -0.31 0.00 0.36 0.00 0.00 54.97 55.71 1k1d s GLU 426 Cb 0.00 0.38 -0.08 0.00 0.26 0.00 0.00 34.13 34.69 1k1d s GLU 426 CO 0.00 -0.15 1.34 -2.14 -0.54 0.00 0.00 175.26 173.77 1k1d s PRO 427 N -0.11 4.36 -0.24 4.30 0.02 -1.26 -0.53 135.00 141.55 1k1d s PRO 427 Ca -0.02 2.04 -0.08 0.00 0.02 0.00 0.00 61.00 62.96 1k1d s PRO 427 Cb -0.04 -3.23 -0.11 0.00 0.02 0.00 0.00 34.50 31.14 1k1d s PRO 427 CO 0.01 -0.33 -0.28 0.28 -0.33 0.00 0.00 177.00 176.35 1k1d n VAL 428 N 3.29 1.30 -4.09 3.83 0.31 0.12 -4.64 118.33 118.45 1k1d n VAL 428 Ca 0.09 -0.37 -0.18 0.00 -0.01 0.00 0.00 64.34 63.86 1k1d n VAL 428 Cb 0.43 -1.69 -0.16 0.00 -0.91 0.00 0.00 33.84 31.51 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 -6.89 0.71 -0.18 4.52 0.01 -0.96 -0.29 113.70 110.63 1k1d s SER 429 Ca -0.32 -0.09 0.00 0.00 1.31 0.00 0.00 55.95 56.85 1k1d s SER 429 Cb 0.12 -0.33 0.04 0.00 0.21 0.00 0.00 66.02 66.06 1k1d s SER 429 CO 0.44 -0.05 -0.08 -0.69 0.41 0.00 0.00 173.24 173.27 1k1d s VAL 430 N 0.80 1.35 -0.03 3.43 1.01 0.21 0.52 120.40 127.69 1k1d s VAL 430 Ca -0.10 -0.78 0.07 0.00 0.00 0.00 0.00 61.98 61.18 1k1d s VAL 430 Cb -0.13 -1.47 -0.02 0.00 0.00 0.00 0.00 36.38 34.77 1k1d s VAL 430 CO -0.00 0.17 -0.26 -1.48 0.00 0.00 0.00 175.10 173.53 1k1d s LEU 431 N 1.53 2.07 -0.25 3.92 2.34 -0.49 -0.52 118.68 127.29 1k1d s LEU 431 Ca 0.00 -0.48 -0.05 0.00 0.06 0.00 0.00 54.13 53.66 1k1d s LEU 431 Cb -0.15 -1.35 -0.01 0.00 -0.56 0.00 0.00 46.19 44.11 1k1d s LEU 431 CO -0.08 0.30 0.02 0.00 -1.06 0.00 0.00 176.35 175.53 1k1d n ARG 433 N 4.85 -1.92 0.00 0.00 1.74 -0.79 -2.44 116.66 118.10 1k1d n ARG 433 Ca -0.17 0.62 0.00 0.00 -0.77 0.00 0.00 57.85 57.54 1k1d n ARG 433 Cb 0.50 -4.85 0.00 0.00 -1.02 0.00 0.00 32.46 27.09 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 -1.50 1.66 3.66 -0.13 0.00 -0.84 -4.50 105.19 103.53 1k1d n GLY 434 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 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 3.58 0.43 1.61 0.41 -1.02 -4.98 118.70 118.73 1k1d s GLU 435 Ca 0.00 -0.36 -0.25 0.00 -0.41 0.00 0.00 54.97 53.95 1k1d s GLU 435 Cb 0.00 -3.04 -0.08 0.00 -1.78 0.00 0.00 34.13 29.23 1k1d s GLU 435 CO 0.00 0.46 1.29 -0.06 -0.49 0.00 0.00 175.26 176.46 1k1d s PHE 436 N -0.17 2.75 -0.02 1.61 0.40 -1.26 -0.93 117.98 120.36 1k1d s PHE 436 Ca 0.06 1.42 0.02 0.00 -0.60 0.00 0.00 56.93 57.83 1k1d s PHE 436 Cb -0.12 -3.65 -0.03 0.00 0.51 0.00 0.00 43.02 39.73 1k1d s PHE 436 CO 0.02 -2.12 0.01 0.28 0.70 0.00 0.00 175.22 174.11 1k1d n VAL 437 N -0.13 0.12 -3.44 -0.44 0.31 0.33 -4.35 118.33 110.74 1k1d n VAL 437 Ca 0.05 -0.08 -0.15 0.00 -0.01 0.00 0.00 64.34 64.15 1k1d n VAL 437 Cb 0.44 -0.72 -0.11 0.00 -0.91 0.00 0.00 33.84 32.54 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 -0.12 2.52 1.01 -0.65 -1.71 120.40 118.95 1k1d s VAL 438 Ca -0.01 -0.10 -0.00 0.00 0.00 0.00 0.00 61.98 61.87 1k1d s VAL 438 Cb 0.01 -0.73 -0.02 0.00 0.00 0.00 0.00 36.38 35.63 1k1d s VAL 438 CO 0.09 -0.18 -0.11 -0.60 0.00 0.00 0.00 175.10 174.30 1k1d s ARG 439 N 2.41 3.27 -1.18 2.72 3.52 -0.01 0.66 118.95 130.35 1k1d s ARG 439 Ca 0.09 -0.64 -0.24 0.00 -0.13 0.00 0.00 55.73 54.81 1k1d s ARG 439 Cb -0.16 -2.65 0.01 0.00 -1.56 0.00 0.00 34.95 30.59 1k1d s ARG 439 CO -0.14 0.31 0.73 -0.25 -0.81 0.00 0.00 175.30 175.15 1k1d n ASP 440 N 3.26 -4.62 -2.13 -2.12 8.00 -0.49 -0.91 116.55 117.53 1k1d n ASP 440 Ca -0.18 -1.11 -0.10 0.00 0.71 0.00 0.00 54.79 54.12 1k1d n ASP 440 Cb 0.53 -2.83 -0.01 0.00 -0.02 0.00 0.00 41.12 38.78 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 -4.47 -2.07 -4.29 -1.24 5.02 0.60 -4.93 118.16 106.79 1k1d n LYS 441 Ca -0.11 0.50 -0.21 0.00 -2.02 0.00 0.00 58.31 56.47 1k1d n LYS 441 Cb 0.59 -4.97 -0.16 0.00 -0.02 0.00 0.00 35.03 30.47 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 -4.42 1.00 0.20 1.97 -0.44 -0.09 -5.13 119.66 112.76 1k1d s GLN 442 Ca 0.00 -0.20 -0.31 0.00 -2.50 0.00 0.00 55.36 52.36 1k1d s GLN 442 Cb 0.00 -0.93 -0.09 0.00 -1.64 0.00 0.00 33.01 30.34 1k1d s GLN 442 CO 0.00 -0.02 1.43 0.12 0.50 0.00 0.00 175.29 177.32 1k1d s PHE 443 N 0.70 3.12 0.00 1.67 5.36 -1.26 -0.83 117.98 126.74 1k1d s PHE 443 Ca -0.11 0.97 0.00 0.00 -0.96 0.00 0.00 56.93 56.84 1k1d s PHE 443 Cb -0.13 -3.77 0.00 0.00 -0.34 0.00 0.00 43.02 38.78 1k1d s PHE 443 CO 0.01 -2.60 0.65 1.33 -1.46 0.00 0.00 175.22 173.15 1k1d n VAL 444 N 3.01 0.00 -1.94 3.12 0.24 -0.69 -4.90 118.33 117.17 1k1d n VAL 444 Ca 0.09 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.34 1k1d n VAL 444 Cb 0.41 0.76 0.03 0.00 -1.47 0.00 0.00 33.84 33.56 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 2.95 7.63 0.00 -1.08 -4.80 105.19 109.99 1k1d n GLY 445 Ca 0.00 -1.87 -0.14 0.00 0.00 0.00 0.00 46.02 44.01 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 -3.16 0.12 0.09 1.61 1.02 -1.26 -5.09 119.74 113.07 1k1d s LYS 446 Ca 0.14 0.58 -0.34 0.00 0.02 0.00 0.00 55.97 56.37 1k1d s LYS 446 Cb -0.01 -0.15 -0.13 0.00 -0.52 0.00 0.00 37.83 37.02 1k1d s LYS 446 CO 0.10 -0.24 1.67 -0.35 -0.92 0.00 0.00 175.35 175.61 1k1d n PRO 447 N 4.88 2.17 0.00 -1.68 -0.04 -1.26 -1.45 135.00 137.62 1k1d n PRO 447 Ca -0.14 0.79 0.00 0.00 -0.04 0.00 0.00 63.50 64.11 1k1d n PRO 447 Cb 0.51 -2.58 0.00 0.00 -0.04 0.00 0.00 33.50 31.39 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 3.72 2.45 0.28 0.55 0.00 0.12 -4.56 105.19 107.76 1k1d n GLY 448 Ca 0.19 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.20 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 0.65 -3.69 1.61 3.20 -0.80 -3.43 116.97 114.52 1k1d h TYR 449 Ca 0.00 -0.06 -0.52 0.00 3.14 0.00 0.00 58.73 61.29 1k1d h TYR 449 Cb 0.00 -0.19 0.06 0.00 1.54 0.00 0.00 36.73 38.14 1k1d h TYR 449 CO 0.00 0.60 0.66 0.20 -1.64 0.00 0.00 178.16 177.97 1k1d s GLY 450 N -3.77 2.77 0.15 1.82 0.00 0.31 -4.87 107.32 103.73 1k1d s GLY 450 Ca -0.08 1.23 0.11 0.00 0.00 0.00 0.00 44.72 45.98 1k1d s GLY 450 CO 0.78 2.00 -0.25 -0.86 0.00 0.00 0.00 173.10 174.76 1k1d s GLN 451 N -1.20 1.40 0.70 2.90 -2.07 -1.26 -4.68 119.66 115.46 1k1d s GLN 451 Ca 0.52 -1.38 -0.15 0.00 -1.82 0.00 0.00 55.36 52.52 1k1d s GLN 451 Cb -0.39 -1.82 0.02 0.00 -1.09 0.00 0.00 33.01 29.73 1k1d s GLN 451 CO 0.48 0.42 1.19 -0.47 -1.32 0.00 0.00 175.29 175.59 1k1d s TYR 452 N -1.26 2.20 -0.13 9.60 5.04 -1.26 -2.27 117.35 129.26 1k1d s TYR 452 Ca 0.15 1.58 0.00 0.00 -2.44 0.00 0.00 57.07 56.36 1k1d s TYR 452 Cb -0.09 -3.42 0.02 0.00 0.35 0.00 0.00 41.96 38.82 1k1d s TYR 452 CO 0.07 -2.39 -0.12 -0.51 -1.34 0.00 0.00 175.55 171.26 1k1d s LEU 453 N -4.96 1.52 0.04 6.97 1.43 0.16 -4.82 118.68 119.02 1k1d s LEU 453 Ca 0.73 -0.41 -0.26 0.00 -1.03 0.00 0.00 54.13 53.16 1k1d s LEU 453 Cb -0.28 -1.05 -0.05 0.00 0.03 0.00 0.00 46.19 44.84 1k1d s LEU 453 CO 0.43 -0.07 0.80 -0.54 0.23 0.00 0.00 176.35 177.20 1k1d s LYS 454 N 1.49 4.52 0.10 1.70 1.02 -1.26 -4.57 119.74 122.74 1k1d s LYS 454 Ca 0.03 1.12 0.05 0.00 0.02 0.00 0.00 55.97 57.20 1k1d s LYS 454 Cb -0.13 -3.37 -0.04 0.00 -0.52 0.00 0.00 37.83 33.77 1k1d s LYS 454 CO -0.09 0.25 -0.02 1.03 -0.92 0.00 0.00 175.35 175.60 1k1d s ARG 455 N 0.05 2.46 0.86 1.68 0.52 0.22 -4.80 118.95 119.94 1k1d s ARG 455 Ca 0.40 -0.88 -0.14 0.00 -0.52 0.00 0.00 55.73 54.59 1k1d s ARG 455 Cb -0.21 -2.49 0.02 0.00 0.52 0.00 0.00 34.95 32.79 1k1d s ARG 455 CO 0.24 0.53 0.58 0.00 0.02 0.00 0.00 175.30 176.67 1k1d n ALA 456 N 0.57 -1.85 0.88 2.13 0.00 -0.36 -4.59 120.51 117.29 1k1d n ALA 456 Ca -0.11 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.87 1k1d n ALA 456 Cb 0.52 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 18.08 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 -1.70 0.95 -1.43 0.00 4.81 -1.26 -4.54 118.16 114.99 1k1d n LYS 457 Ca 0.09 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.46 1k1d n LYS 457 Cb 0.52 -1.03 -0.02 0.00 0.02 0.00 0.00 35.03 34.52 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 0.57 -0.08 -2.92 5.64 9.36 -1.26 -4.48 117.16 124.00 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 0.47 -1.57 0.00 0.00 -0.63 0.00 0.00 39.34 37.61 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 -1.88 7.19 0.00 2.98 0.00 -1.26 -5.05 105.19 107.16 1k1d n GLY 459 Ca -0.07 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.05 1k1d n GLY 459 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73