#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kya s ILE 2 N 0.00 4.76 0.33 -0.61 -4.36 -1.15 -4.87 121.20 115.32 1kya s ILE 2 Ca 0.00 -0.31 -0.09 0.00 -0.26 0.00 0.00 60.65 59.99 1kya s ILE 2 Cb 0.00 -4.35 -0.07 0.00 1.25 0.00 0.00 42.46 39.29 1kya s ILE 2 CO 0.00 -0.87 -0.50 0.61 0.24 0.00 0.00 174.94 174.42 1kya n GLY 3 N 5.16 -1.06 0.52 6.27 0.00 -1.26 -3.59 105.19 111.23 1kya n GLY 3 Ca -0.05 -0.06 0.35 0.00 0.00 0.00 0.00 46.02 46.26 1kya n GLY 3 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1kya h PRO 4 N -0.33 0.04 -5.09 1.61 0.11 -1.86 -3.37 132.00 123.11 1kya h PRO 4 Ca -0.13 -0.00 -0.65 0.00 0.11 0.00 0.00 66.00 65.32 1kya h PRO 4 Cb 0.47 -0.01 -0.26 0.00 0.11 0.00 0.00 31.00 31.30 1kya h PRO 4 CO 0.07 0.03 -0.71 0.14 -0.21 0.00 0.00 178.00 177.31 1kya s VAL 5 N -5.01 3.46 0.05 3.15 -7.23 -1.26 -1.21 120.40 112.35 1kya s VAL 5 Ca -0.05 -0.48 -0.27 0.00 -1.81 0.00 0.00 61.98 59.37 1kya s VAL 5 Cb 0.23 -2.55 0.09 0.00 0.56 0.00 0.00 36.38 34.71 1kya s VAL 5 CO 0.81 0.44 0.88 0.00 -0.31 0.00 0.00 175.10 176.92 1kya s ALA 6 N 1.14 -1.76 -0.09 1.32 0.00 -0.85 -5.00 121.76 116.52 1kya s ALA 6 Ca 0.02 0.76 -0.05 0.00 0.00 0.00 0.00 51.96 52.68 1kya s ALA 6 Cb -0.15 0.51 -0.04 0.00 0.00 0.00 0.00 23.12 23.45 1kya s ALA 6 CO -0.01 -0.78 0.10 -0.51 0.00 0.00 0.00 175.76 174.57 1kya s ASP 7 N -2.61 6.05 -0.40 0.00 1.01 -1.26 -1.20 116.67 118.25 1kya s ASP 7 Ca 0.06 0.35 0.03 0.00 0.71 0.00 0.00 52.55 53.71 1kya s ASP 7 Cb -0.01 -1.88 0.11 0.00 1.01 0.00 0.00 42.92 42.15 1kya s ASP 7 CO -0.07 0.38 0.14 -0.76 0.21 0.00 0.00 175.17 175.08 1kya s LEU 8 N -1.13 3.90 -0.40 1.23 1.43 0.14 -4.92 118.68 118.94 1kya s LEU 8 Ca 0.16 -2.38 -0.23 0.00 -1.03 0.00 0.00 54.13 50.65 1kya s LEU 8 Cb -0.12 -1.41 0.02 0.00 0.03 0.00 0.00 46.19 44.70 1kya s LEU 8 CO 0.06 -0.33 0.80 -0.89 0.23 0.00 0.00 176.35 176.22 1kya s THR 9 N 0.61 4.68 -0.18 5.49 2.01 -1.26 -0.35 115.64 126.63 1kya s THR 9 Ca 0.13 0.75 -0.16 0.00 0.31 0.00 0.00 61.69 62.73 1kya s THR 9 Cb -0.21 -4.27 -0.04 0.00 0.01 0.00 0.00 72.50 67.99 1kya s THR 9 CO -0.07 -0.55 0.41 -0.63 -0.69 0.00 0.00 174.62 173.08 1kya s ILE 10 N 3.23 5.20 0.31 1.82 -1.09 0.14 -1.09 121.20 129.72 1kya s ILE 10 Ca 0.32 0.75 -0.01 0.00 -2.23 0.00 0.00 60.65 59.48 1kya s ILE 10 Cb -0.13 -3.74 -0.01 0.00 -1.58 0.00 0.00 42.46 37.00 1kya s ILE 10 CO 0.19 0.27 0.38 0.42 -1.23 0.00 0.00 174.94 174.97 1kya s THR 11 N 1.15 0.00 0.05 2.92 -4.23 -0.52 -0.36 115.64 114.65 1kya s THR 11 Ca 0.20 -1.74 0.01 0.00 -1.18 0.00 0.00 61.69 58.98 1kya s THR 11 Cb -0.15 -2.54 -0.04 0.00 1.34 0.00 0.00 72.50 71.11 1kya s THR 11 CO 0.08 0.00 0.12 0.20 -0.54 0.00 0.00 174.62 174.48 1kya s ASN 12 N -3.24 5.84 -0.16 3.99 -0.87 -1.26 0.21 114.94 119.45 1kya s ASN 12 Ca 0.34 0.12 -0.29 0.00 -1.57 0.00 0.00 52.86 51.45 1kya s ASN 12 Cb 0.01 -1.68 0.12 0.00 -0.02 0.00 0.00 41.25 39.68 1kya s ASN 12 CO 0.20 0.20 0.96 0.00 -2.57 0.00 0.00 177.10 175.88 1kya s ALA 13 N -1.38 -1.92 0.25 0.60 0.00 -0.67 -4.89 121.76 113.76 1kya s ALA 13 Ca 0.29 1.60 -0.30 0.00 0.00 0.00 0.00 51.96 53.56 1kya s ALA 13 Cb -0.12 -0.73 -0.09 0.00 0.00 0.00 0.00 23.12 22.18 1kya s ALA 13 CO 0.22 -0.31 1.05 0.00 0.00 0.00 0.00 175.76 176.72 1kya s ALA 14 N -0.90 3.38 0.11 0.00 0.00 -1.26 -1.15 121.76 121.93 1kya s ALA 14 Ca -0.02 0.80 -0.09 0.00 0.00 0.00 0.00 51.96 52.64 1kya s ALA 14 Cb -0.01 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.81 1kya s ALA 14 CO 0.02 -0.06 0.23 0.54 0.00 0.00 0.00 175.76 176.49 1kya s VAL 15 N -0.99 0.12 -0.42 0.00 0.11 0.05 -4.90 120.40 114.36 1kya s VAL 15 Ca 0.44 -1.17 0.08 0.00 -2.93 0.00 0.00 61.98 58.41 1kya s VAL 15 Cb -0.30 -1.43 0.31 0.00 -1.53 0.00 0.00 36.38 33.43 1kya s VAL 15 CO 0.37 -0.55 0.86 -1.54 -3.33 0.00 0.00 175.10 170.92 1kya n SER 16 N -0.11 -0.98 0.26 3.54 3.41 -1.26 -0.65 113.62 117.83 1kya n SER 16 Ca -0.13 -3.26 0.16 0.00 -0.26 0.00 0.00 58.87 55.38 1kya n SER 16 Cb 0.63 0.67 0.89 0.00 -0.26 0.00 0.00 64.21 66.13 1kya n SER 16 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1kya h PRO 17 N 3.31 0.00 -0.19 4.33 0.13 -1.82 -1.82 132.00 135.94 1kya h PRO 17 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1kya h PRO 17 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1kya h PRO 17 CO 0.34 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.71 1kya n ASP 18 N -3.82 2.68 0.00 1.44 5.75 -1.26 -2.86 116.55 118.48 1kya n ASP 18 Ca -0.01 -2.21 0.00 0.00 -0.01 0.00 0.00 54.79 52.56 1kya n ASP 18 Cb 0.17 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 1kya n ASP 18 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1kya n GLY 19 N -0.12 2.48 3.63 6.12 0.00 -0.68 -4.36 105.19 112.26 1kya n GLY 19 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 1kya n GLY 19 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1kya s PHE 20 N -2.70 3.29 0.01 1.61 5.36 -1.26 -4.98 117.98 119.30 1kya s PHE 20 Ca 0.00 0.35 -0.30 0.00 -0.96 0.00 0.00 56.93 56.02 1kya s PHE 20 Cb 0.00 -2.45 -0.03 0.00 -0.34 0.00 0.00 43.02 40.20 1kya s PHE 20 CO 0.00 -0.09 1.00 0.45 -1.46 0.00 0.00 175.22 175.12 1kya s SER 21 N 1.39 7.34 -0.17 6.13 0.15 -1.26 -4.04 113.70 123.24 1kya s SER 21 Ca 0.12 1.69 -0.25 0.00 0.70 0.00 0.00 55.95 58.22 1kya s SER 21 Cb -0.15 -2.57 0.06 0.00 -1.71 0.00 0.00 66.02 61.65 1kya s SER 21 CO 0.08 -0.28 0.64 0.00 1.20 0.00 0.00 173.24 174.88 1kya s ARG 22 N 1.01 0.85 0.53 5.44 1.04 0.17 -4.92 118.95 123.08 1kya s ARG 22 Ca 0.53 0.64 -0.21 0.00 -1.04 0.00 0.00 55.73 55.65 1kya s ARG 22 Cb -0.22 0.41 -0.05 0.00 -2.04 0.00 0.00 34.95 33.04 1kya s ARG 22 CO 0.28 -0.17 1.19 -0.65 -0.04 0.00 0.00 175.30 175.92 1kya s GLN 23 N -0.24 3.32 0.34 3.89 -1.52 -1.26 -0.77 119.66 123.43 1kya s GLN 23 Ca -0.04 1.81 -0.18 0.00 -1.95 0.00 0.00 55.36 55.00 1kya s GLN 23 Cb -0.03 -2.13 0.05 0.00 -0.22 0.00 0.00 33.01 30.67 1kya s GLN 23 CO 0.04 -0.92 0.79 0.00 -0.25 0.00 0.00 175.29 174.95 1kya s ALA 24 N -1.58 -0.94 -0.25 6.09 0.00 -0.30 -4.88 121.76 119.89 1kya s ALA 24 Ca 0.71 -0.59 -0.16 0.00 0.00 0.00 0.00 51.96 51.93 1kya s ALA 24 Cb -0.30 0.72 -0.04 0.00 0.00 0.00 0.00 23.12 23.51 1kya s ALA 24 CO 0.34 -1.01 0.40 0.08 0.00 0.00 0.00 175.76 175.57 1kya s VAL 25 N -2.72 5.16 0.10 0.00 1.01 -0.07 -1.67 120.40 122.21 1kya s VAL 25 Ca 0.15 0.66 0.10 0.00 0.00 0.00 0.00 61.98 62.88 1kya s VAL 25 Cb -0.05 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1kya s VAL 25 CO 0.10 0.17 -0.25 -0.69 0.00 0.00 0.00 175.10 174.42 1kya s VAL 26 N 1.91 2.31 -0.24 2.92 1.01 0.13 -3.29 120.40 125.15 1kya s VAL 26 Ca 0.17 -1.58 -0.04 0.00 0.00 0.00 0.00 61.98 60.53 1kya s VAL 26 Cb -0.15 -1.99 0.00 0.00 0.00 0.00 0.00 36.38 34.24 1kya s VAL 26 CO 0.09 0.20 -0.02 -0.69 0.00 0.00 0.00 175.10 174.68 1kya s VAL 27 N -0.98 3.42 -1.30 2.92 1.01 0.25 -1.44 120.40 124.28 1kya s VAL 27 Ca 0.14 -0.63 -0.01 0.00 0.00 0.00 0.00 61.98 61.48 1kya s VAL 27 Cb -0.10 -2.64 0.01 0.00 0.00 0.00 0.00 36.38 33.65 1kya s VAL 27 CO 0.05 0.31 0.08 0.59 0.00 0.00 0.00 175.10 176.13 1kya n ASN 28 N 4.79 -4.57 0.00 3.32 4.13 -0.25 -1.90 115.26 120.78 1kya n ASN 28 Ca -0.17 0.06 0.00 0.00 1.68 0.00 0.00 54.58 56.15 1kya n ASN 28 Cb 0.50 -3.83 0.00 0.00 -1.54 0.00 0.00 39.78 34.90 1kya n ASN 28 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1kya n GLY 29 N -0.94 3.20 3.25 7.41 0.00 -1.26 -5.02 105.19 111.84 1kya n GLY 29 Ca -0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.64 1kya n GLY 29 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1kya s GLY 30 N -2.82 1.13 0.00 -0.02 0.00 -0.80 -4.99 107.32 99.83 1kya s GLY 30 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 44.72 43.53 1kya s GLY 30 CO 0.00 -1.21 0.46 2.41 0.00 0.00 0.00 173.10 174.76 1kya n THR 31 N 1.07 0.00 -1.53 0.90 -1.04 -1.26 -0.59 114.28 111.83 1kya n THR 31 Ca -0.19 0.89 -0.39 0.00 -2.04 0.00 0.00 64.05 62.32 1kya n THR 31 Cb 0.54 -1.76 -0.06 0.00 -1.82 0.00 0.00 70.33 67.24 1kya n THR 31 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1kya n PRO 32 N -1.56 0.90 -0.72 -2.82 -0.02 -1.26 -4.17 135.00 125.35 1kya n PRO 32 Ca 0.00 0.06 -0.32 0.00 -2.02 0.00 0.00 63.50 61.22 1kya n PRO 32 Cb 0.00 -2.96 0.15 0.00 -0.02 0.00 0.00 33.50 30.68 1kya n PRO 32 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1kya n GLY 33 N 6.14 -2.11 3.77 -1.23 0.00 0.38 -4.91 105.19 107.23 1kya n GLY 33 Ca 0.43 -0.79 -0.40 0.00 0.00 0.00 0.00 46.02 45.26 1kya n GLY 33 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1kya s PRO 34 N -3.66 3.93 0.00 1.61 0.02 -1.26 -4.35 135.00 131.30 1kya s PRO 34 Ca 0.58 2.45 -0.30 0.00 0.02 0.00 0.00 61.00 63.75 1kya s PRO 34 Cb -0.18 -2.83 -0.07 0.00 0.02 0.00 0.00 34.50 31.44 1kya s PRO 34 CO 0.66 -0.63 1.70 -1.17 -0.33 0.00 0.00 177.00 177.23 1kya s LEU 35 N -2.37 4.36 -0.17 -5.54 2.96 -1.26 -4.49 118.68 112.17 1kya s LEU 35 Ca 0.56 2.39 -0.10 0.00 -0.22 0.00 0.00 54.13 56.76 1kya s LEU 35 Cb -0.44 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.66 1kya s LEU 35 CO 0.59 -0.93 0.16 -0.63 -1.32 0.00 0.00 176.35 174.22 1kya s ILE 36 N 3.59 5.41 0.18 6.68 1.01 -0.42 -2.91 121.20 134.73 1kya s ILE 36 Ca 0.76 0.27 0.00 0.00 0.00 0.00 0.00 60.65 61.68 1kya s ILE 36 Cb -0.37 -3.48 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 1kya s ILE 36 CO 0.32 0.49 0.05 0.42 0.00 0.00 0.00 174.94 176.22 1kya s THR 37 N -0.05 0.37 0.00 2.92 -4.23 -1.24 -0.12 115.64 113.30 1kya s THR 37 Ca 0.12 -1.96 0.00 0.00 -1.18 0.00 0.00 61.69 58.66 1kya s THR 37 Cb -0.12 -2.23 0.00 0.00 1.34 0.00 0.00 72.50 71.50 1kya s THR 37 CO 0.01 -0.33 0.00 0.61 -0.54 0.00 0.00 174.62 174.37 1kya n GLY 38 N -0.23 -0.26 3.75 3.99 0.00 -0.91 -3.20 105.19 108.32 1kya n GLY 38 Ca -0.04 -0.95 -0.27 0.00 0.00 0.00 0.00 46.02 44.76 1kya n GLY 38 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1kya s ASN 39 N 0.00 5.27 0.15 1.61 0.01 -1.26 -0.35 114.94 120.36 1kya s ASN 39 Ca 0.00 -0.20 -0.34 0.00 -0.71 0.00 0.00 52.86 51.61 1kya s ASN 39 Cb 0.00 -1.30 -0.15 0.00 0.41 0.00 0.00 41.25 40.21 1kya s ASN 39 CO 0.00 0.09 1.47 0.80 -1.51 0.00 0.00 177.10 177.95 1kya n MET 40 N -0.15 1.79 0.00 -0.60 0.00 0.45 -0.80 117.12 117.82 1kya n MET 40 Ca -0.09 0.65 0.00 0.00 -0.00 0.00 0.00 57.70 58.26 1kya n MET 40 Cb 0.54 -2.35 0.00 0.00 0.00 0.00 0.00 33.22 31.41 1kya n MET 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1kya n GLY 41 N 2.96 3.21 3.72 -5.12 0.00 0.14 -4.95 105.19 105.16 1kya n GLY 41 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 1kya n GLY 41 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1kya s ASP 42 N -0.31 4.42 -0.29 1.61 1.11 0.02 -4.57 116.67 118.65 1kya s ASP 42 Ca 0.00 2.60 -0.14 0.00 0.18 0.00 0.00 52.55 55.19 1kya s ASP 42 Cb 0.00 -2.62 -0.03 0.00 1.07 0.00 0.00 42.92 41.34 1kya s ASP 42 CO 0.00 -2.13 0.33 -0.60 1.18 0.00 0.00 175.17 173.95 1kya s ARG 43 N -3.50 3.90 -0.15 8.23 3.52 -1.26 -2.01 118.95 127.68 1kya s ARG 43 Ca 0.81 -0.15 -0.16 0.00 -0.13 0.00 0.00 55.73 56.10 1kya s ARG 43 Cb -0.37 -3.69 -0.04 0.00 -1.56 0.00 0.00 34.95 29.29 1kya s ARG 43 CO 0.42 -0.31 0.39 -0.06 -0.81 0.00 0.00 175.30 174.92 1kya s PHE 44 N 1.98 3.47 -0.44 5.12 0.40 0.16 -4.62 117.98 124.06 1kya s PHE 44 Ca 0.12 0.73 0.02 0.00 -0.60 0.00 0.00 56.93 57.20 1kya s PHE 44 Cb -0.16 -2.46 0.13 0.00 0.51 0.00 0.00 43.02 41.05 1kya s PHE 44 CO 0.11 0.18 0.23 -0.65 0.70 0.00 0.00 175.22 175.79 1kya s GLN 45 N 0.63 1.31 -0.38 0.44 -0.21 -0.35 -1.02 119.66 120.09 1kya s GLN 45 Ca 0.21 -2.01 -0.11 0.00 0.02 0.00 0.00 55.36 53.46 1kya s GLN 45 Cb -0.14 -2.39 0.02 0.00 1.00 0.00 0.00 33.01 31.50 1kya s GLN 45 CO 0.07 -1.15 0.22 -0.51 -2.12 0.00 0.00 175.29 171.80 1kya s LEU 46 N 0.36 4.75 -0.42 2.90 1.43 0.30 -2.00 118.68 126.00 1kya s LEU 46 Ca 0.17 -0.96 -0.21 0.00 -1.03 0.00 0.00 54.13 52.10 1kya s LEU 46 Cb -0.24 -2.04 0.02 0.00 0.03 0.00 0.00 46.19 43.95 1kya s LEU 46 CO -0.00 -0.39 0.67 0.21 0.23 0.00 0.00 176.35 177.07 1kya s ASN 47 N 1.57 6.36 -0.44 2.29 2.47 -0.34 -0.73 114.94 126.12 1kya s ASN 47 Ca 0.03 -0.20 -0.21 0.00 0.42 0.00 0.00 52.86 52.89 1kya s ASN 47 Cb -0.19 -2.33 0.02 0.00 -1.45 0.00 0.00 41.25 37.30 1kya s ASN 47 CO 0.07 -0.76 0.67 -0.69 -3.72 0.00 0.00 177.10 172.66 1kya s VAL 48 N 2.88 4.80 -0.44 -5.21 1.01 -0.20 0.27 120.40 123.50 1kya s VAL 48 Ca 0.24 0.16 -0.16 0.00 0.00 0.00 0.00 61.98 62.22 1kya s VAL 48 Cb -0.14 -4.23 0.04 0.00 0.00 0.00 0.00 36.38 32.05 1kya s VAL 48 CO 0.19 -0.62 0.40 -0.63 0.00 0.00 0.00 175.10 174.43 1kya s ILE 49 N 2.90 5.17 -0.61 2.22 1.01 0.53 -1.60 121.20 130.82 1kya s ILE 49 Ca 0.24 -0.68 -0.24 0.00 0.00 0.00 0.00 60.65 59.97 1kya s ILE 49 Cb -0.14 -4.05 0.05 0.00 0.01 0.00 0.00 42.46 38.33 1kya s ILE 49 CO 0.20 -0.47 0.99 -0.62 0.00 0.00 0.00 174.94 175.04 1kya s ASP 50 N 2.08 6.27 -0.27 3.58 3.68 -0.50 0.28 116.67 131.79 1kya s ASP 50 Ca 0.08 -0.56 0.08 0.00 2.13 0.00 0.00 52.55 54.28 1kya s ASP 50 Cb -0.20 -2.45 0.45 0.00 -1.45 0.00 0.00 42.92 39.28 1kya s ASP 50 CO 0.10 -1.36 1.20 0.59 0.13 0.00 0.00 175.17 175.83 1kya n ASN 51 N 7.75 4.24 -4.80 -0.34 3.02 0.52 -0.27 115.26 125.38 1kya n ASN 51 Ca 0.00 -3.78 -0.33 0.00 -0.03 0.00 0.00 54.58 50.44 1kya n ASN 51 Cb 0.47 -0.38 0.00 0.00 -0.61 0.00 0.00 39.78 39.26 1kya n ASN 51 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1kya s LEU 52 N -3.52 3.56 0.00 3.41 1.43 -1.16 -4.53 118.68 117.87 1kya s LEU 52 Ca 0.48 1.83 0.00 0.00 -1.03 0.00 0.00 54.13 55.42 1kya s LEU 52 Cb 0.40 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 42.08 1kya s LEU 52 CO 0.02 -1.09 0.02 0.35 0.23 0.00 0.00 176.35 175.88 1kya n THR 53 N -1.83 0.00 -3.24 5.49 -2.24 -1.26 -4.77 114.28 106.43 1kya n THR 53 Ca 0.09 -0.10 -0.44 0.00 -2.27 0.00 0.00 64.05 61.33 1kya n THR 53 Cb 0.53 1.17 -0.06 0.00 -2.10 0.00 0.00 70.33 69.87 1kya n THR 53 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1kya s ASN 54 N -0.15 6.19 0.23 3.42 3.84 -1.26 -4.93 114.94 122.27 1kya s ASN 54 Ca 0.00 -1.27 -0.07 0.00 0.21 0.00 0.00 52.86 51.72 1kya s ASN 54 Cb 0.00 -2.25 0.24 0.00 -0.55 0.00 0.00 41.25 38.69 1kya s ASN 54 CO 0.00 -0.86 1.90 -0.74 -2.79 0.00 0.00 177.10 174.61 1kya h HIS 55 N 8.95 1.10 -0.00 0.43 -0.00 -1.91 -2.12 115.15 121.60 1kya h HIS 55 Ca -0.29 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.11 1kya h HIS 55 Cb 1.10 -0.37 -0.00 0.00 -0.00 0.00 0.00 27.41 28.14 1kya h HIS 55 CO 0.73 0.66 0.01 1.79 -0.00 0.00 0.00 177.93 181.12 1kya h THR 56 N 1.16 0.02 -0.24 6.26 1.35 -1.96 0.56 112.91 120.07 1kya h THR 56 Ca 0.34 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.20 1kya h THR 56 Cb -0.07 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 67.34 1kya h THR 56 CO -0.09 0.00 0.00 0.23 -0.25 0.00 0.00 175.52 175.41 1kya n MET 57 N -3.11 2.07 -1.72 4.72 2.81 -1.00 -4.63 117.12 116.26 1kya n MET 57 Ca -0.03 -1.76 -0.00 0.00 -1.81 0.00 0.00 57.70 54.10 1kya n MET 57 Cb 0.08 -1.26 -0.00 0.00 -0.71 0.00 0.00 33.22 31.33 1kya n MET 57 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1kya n LEU 58 N 0.58 -3.02 0.08 4.03 4.77 0.20 -4.84 117.00 118.79 1kya n LEU 58 Ca 0.10 0.33 0.04 0.00 -0.03 0.00 0.00 56.01 56.45 1kya n LEU 58 Cb 0.38 -1.45 0.19 0.00 -2.33 0.00 0.00 43.42 40.21 1kya n LEU 58 CO 0.08 -0.67 0.64 0.29 -1.33 0.00 0.00 177.39 176.40 1kya n LYS 59 N 0.20 0.05 -2.98 3.23 5.02 -1.18 -4.52 118.16 117.97 1kya n LYS 59 Ca -0.03 0.45 -0.24 0.00 -2.02 0.00 0.00 58.31 56.48 1kya n LYS 59 Cb 0.04 -1.85 0.01 0.00 -0.02 0.00 0.00 35.03 33.22 1kya n LYS 59 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1kya s SER 60 N -3.09 5.95 0.18 4.39 0.01 -1.26 -3.57 113.70 116.32 1kya s SER 60 Ca -0.01 0.42 -0.22 0.00 1.31 0.00 0.00 55.95 57.45 1kya s SER 60 Cb 0.02 -1.72 0.06 0.00 0.21 0.00 0.00 66.02 64.59 1kya s SER 60 CO 0.06 -0.64 0.61 0.28 0.41 0.00 0.00 173.24 173.96 1kya s THR 61 N -2.56 0.00 -0.21 1.44 -1.32 -1.01 -4.94 115.64 107.04 1kya s THR 61 Ca 0.47 -0.27 -0.17 0.00 -1.21 0.00 0.00 61.69 60.51 1kya s THR 61 Cb -0.10 -1.24 0.06 0.00 -1.51 0.00 0.00 72.50 69.71 1kya s THR 61 CO 0.39 -0.02 0.56 -0.55 -2.21 0.00 0.00 174.62 172.78 1kya s SER 62 N -2.79 -0.63 -0.10 8.08 0.15 -1.26 0.16 113.70 117.31 1kya s SER 62 Ca 0.04 1.15 0.04 0.00 0.70 0.00 0.00 55.95 57.87 1kya s SER 62 Cb -0.02 1.12 -0.00 0.00 -1.71 0.00 0.00 66.02 65.41 1kya s SER 62 CO -0.08 -0.20 -0.23 -0.63 1.20 0.00 0.00 173.24 173.30 1kya s ILE 63 N 0.69 2.21 -0.11 6.45 1.01 -1.26 -0.13 121.20 130.06 1kya s ILE 63 Ca -0.03 -0.97 -0.06 0.00 0.00 0.00 0.00 60.65 59.59 1kya s ILE 63 Cb -0.05 -1.85 -0.04 0.00 0.01 0.00 0.00 42.46 40.53 1kya s ILE 63 CO -0.05 0.56 0.10 -2.28 0.00 0.00 0.00 174.94 173.28 1kya s HIS 64 N 0.23 3.49 -0.72 3.97 5.65 -0.68 -3.84 115.29 123.38 1kya s HIS 64 Ca -0.14 0.44 -0.09 0.00 0.25 0.00 0.00 55.06 55.51 1kya s HIS 64 Cb -0.17 -1.90 0.19 0.00 -1.18 0.00 0.00 32.58 29.52 1kya s HIS 64 CO 0.07 0.67 0.61 -1.58 -0.65 0.00 0.00 174.74 173.86 1kya s TRP 65 N -0.98 3.59 -0.13 3.88 0.52 -1.25 -2.42 118.94 122.15 1kya s TRP 65 Ca 0.14 -2.26 -0.32 0.00 0.02 0.00 0.00 56.10 53.68 1kya s TRP 65 Cb -0.12 -3.55 -0.10 0.00 -1.15 0.00 0.00 33.47 28.55 1kya s TRP 65 CO 0.04 -0.93 2.01 1.58 0.02 0.00 0.00 176.95 179.67 1kya n HIS 66 N 3.86 2.20 0.00 -1.98 -0.00 0.05 -2.65 115.22 116.70 1kya n HIS 66 Ca 0.09 -0.07 0.00 0.00 0.46 0.00 0.00 57.72 58.21 1kya n HIS 66 Cb 0.43 -2.69 0.00 0.00 -0.12 0.00 0.00 29.99 27.61 1kya n HIS 66 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1kya n GLY 67 N 5.00 2.42 3.72 1.57 0.00 -1.26 -3.67 105.19 112.97 1kya n GLY 67 Ca 0.26 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 1kya n GLY 67 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1kya s PHE 68 N -1.12 3.28 0.34 1.61 0.08 -1.08 -4.91 117.98 116.17 1kya s PHE 68 Ca 0.00 1.06 0.19 0.00 0.12 0.00 0.00 56.93 58.30 1kya s PHE 68 Cb 0.00 -3.62 0.94 0.00 -0.57 0.00 0.00 43.02 39.77 1kya s PHE 68 CO 0.00 -2.11 1.89 0.74 -0.10 0.00 0.00 175.22 175.64 1kya h PHE 69 N 6.54 0.00 -3.18 0.36 0.04 -1.90 -3.40 116.94 115.39 1kya h PHE 69 Ca -0.42 0.00 -0.36 0.00 2.80 0.00 0.00 57.97 59.98 1kya h PHE 69 Cb 1.21 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.34 1kya h PHE 69 CO 0.65 0.28 -0.46 1.04 -0.60 0.00 0.00 178.31 179.23 1kya n GLN 70 N -3.84 -1.84 -1.67 1.51 1.13 -1.26 -4.43 117.38 106.98 1kya n GLN 70 Ca -0.01 0.89 -0.44 0.00 -1.94 0.00 0.00 57.00 55.50 1kya n GLN 70 Cb 0.37 -5.52 -0.03 0.00 0.11 0.00 0.00 30.24 25.16 1kya n GLN 70 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 1kya n LYS 71 N -2.92 2.68 -0.22 -1.09 4.81 -1.26 0.01 118.16 120.17 1kya n LYS 71 Ca -0.21 0.98 0.00 0.00 -0.87 0.00 0.00 58.31 58.21 1kya n LYS 71 Cb 0.66 -2.90 0.00 0.00 0.02 0.00 0.00 35.03 32.81 1kya n LYS 71 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1kya n GLY 72 N 4.45 1.23 2.63 3.14 0.00 -1.26 -4.87 105.19 110.51 1kya n GLY 72 Ca 0.20 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.12 1kya n GLY 72 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1kya n THR 73 N -2.00 1.41 0.11 2.61 -2.24 0.10 -4.32 114.28 109.95 1kya n THR 73 Ca 0.00 -3.37 0.18 0.00 -2.27 0.00 0.00 64.05 58.59 1kya n THR 73 Cb 0.00 0.45 0.74 0.00 -2.10 0.00 0.00 70.33 69.42 1kya n THR 73 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 1kya h ASN 74 N 2.74 0.00 0.69 3.42 -1.24 -1.86 -0.38 115.58 118.94 1kya h ASN 74 Ca -0.02 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.99 1kya h ASN 74 Cb 1.21 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.26 1kya h ASN 74 CO 0.47 0.00 0.00 -2.67 -1.29 0.00 0.00 177.43 173.94 1kya n TRP 75 N -4.08 0.61 -0.16 0.67 4.27 -1.26 -2.59 117.44 114.90 1kya n TRP 75 Ca 0.05 0.24 0.10 0.00 -3.89 0.00 0.00 57.50 54.00 1kya n TRP 75 Cb 0.47 -0.89 0.24 0.00 -1.36 0.00 0.00 31.31 29.78 1kya n TRP 75 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1kya n ALA 76 N -1.71 2.33 0.21 -1.67 0.00 -0.15 -4.53 120.51 114.99 1kya n ALA 76 Ca 0.03 -1.17 0.05 0.00 0.00 0.00 0.00 53.44 52.34 1kya n ALA 76 Cb 0.22 -0.74 0.45 0.00 0.00 0.00 0.00 19.45 19.37 1kya n ALA 76 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1kya h ASP 77 N 3.55 0.00 0.00 0.00 3.58 -1.60 -3.43 116.42 118.52 1kya h ASP 77 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1kya h ASP 77 Cb 0.89 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.94 1kya h ASP 77 CO 0.00 0.29 0.00 0.61 -2.88 0.00 0.00 179.24 177.26 1kya n GLY 78 N -0.56 3.09 3.40 -0.78 0.00 -1.25 -3.82 105.19 105.27 1kya n GLY 78 Ca -0.02 -0.88 -0.62 0.00 0.00 0.00 0.00 46.02 44.51 1kya n GLY 78 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1kya n PRO 79 N 0.00 0.06 -1.80 1.61 -0.02 -1.26 -4.46 135.00 129.13 1kya n PRO 79 Ca 0.00 0.02 -0.42 0.00 -2.02 0.00 0.00 63.50 61.08 1kya n PRO 79 Cb 0.00 -1.55 -0.03 0.00 -0.02 0.00 0.00 33.50 31.91 1kya n PRO 79 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1kya s ALA 80 N 5.19 3.86 0.00 3.55 0.00 -0.96 -1.28 121.76 132.13 1kya s ALA 80 Ca 1.15 1.52 0.00 0.00 0.00 0.00 0.00 51.96 54.63 1kya s ALA 80 Cb -1.47 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 17.98 1kya s ALA 80 CO 0.70 -0.89 0.00 1.19 0.00 0.00 0.00 175.76 176.76 1kya n PHE 81 N 3.71 0.00 -0.02 0.00 3.72 0.12 -4.74 117.46 120.25 1kya n PHE 81 Ca 0.14 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.48 1kya n PHE 81 Cb 0.36 -0.96 -0.02 0.00 -0.94 0.00 0.00 39.48 37.92 1kya n PHE 81 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 1kya n ILE 82 N -2.42 0.86 0.12 4.37 -0.00 -0.80 -2.08 119.36 119.41 1kya n ILE 82 Ca 0.00 0.10 0.01 0.00 -0.00 0.00 0.00 62.75 62.87 1kya n ILE 82 Cb 0.21 -1.70 0.01 0.00 -0.00 0.00 0.00 39.64 38.15 1kya n ILE 82 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 1kya n ASN 83 N -3.56 0.98 -3.61 4.38 4.13 -0.40 -0.82 115.26 116.36 1kya n ASN 83 Ca -0.10 -0.99 -0.00 0.00 1.68 0.00 0.00 54.58 55.17 1kya n ASN 83 Cb 0.39 0.24 -0.01 0.00 -1.54 0.00 0.00 39.78 38.86 1kya n ASN 83 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1kya s GLN 84 N -0.48 0.35 0.23 3.52 -2.07 -1.23 -4.53 119.66 115.44 1kya s GLN 84 Ca 0.03 -0.18 -0.04 0.00 -1.82 0.00 0.00 55.36 53.35 1kya s GLN 84 Cb 0.02 0.13 -0.05 0.00 -1.09 0.00 0.00 33.01 32.02 1kya s GLN 84 CO 0.05 -0.16 0.46 0.00 -1.32 0.00 0.00 175.29 174.33 1kya n PRO 86 N -0.57 -0.42 -2.94 0.00 -0.02 -1.26 -4.80 135.00 124.98 1kya n PRO 86 Ca -0.03 -0.06 -0.33 0.00 -2.02 0.00 0.00 63.50 61.07 1kya n PRO 86 Cb 0.53 -2.27 -0.07 0.00 -0.02 0.00 0.00 33.50 31.68 1kya n PRO 86 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1kya s ILE 87 N -2.58 4.52 0.07 4.25 1.01 0.12 -4.76 121.20 123.83 1kya s ILE 87 Ca 0.65 1.25 0.01 0.00 0.00 0.00 0.00 60.65 62.56 1kya s ILE 87 Cb -0.23 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 1kya s ILE 87 CO 0.60 -0.28 0.18 -0.44 0.00 0.00 0.00 174.94 175.01 1kya s SER 88 N -2.25 6.17 0.53 3.58 0.01 -1.26 -2.41 113.70 118.08 1kya s SER 88 Ca 0.59 0.20 -0.22 0.00 1.31 0.00 0.00 55.95 57.83 1kya s SER 88 Cb -0.10 -1.85 -0.06 0.00 0.21 0.00 0.00 66.02 64.22 1kya s SER 88 CO 0.15 0.16 1.19 -0.24 0.41 0.00 0.00 173.24 174.92 1kya n SER 89 N 0.28 1.95 0.00 2.44 2.88 -1.23 -1.37 113.62 118.58 1kya n SER 89 Ca -0.06 0.95 0.00 0.00 -1.33 0.00 0.00 58.87 58.43 1kya n SER 89 Cb 0.51 -1.49 0.00 0.00 -0.75 0.00 0.00 64.21 62.49 1kya n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1kya n GLY 90 N 0.97 0.80 3.38 0.46 0.00 0.63 -5.01 105.19 106.42 1kya n GLY 90 Ca 0.11 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.94 1kya n GLY 90 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1kya s HIS 91 N -3.21 1.77 0.06 1.61 4.02 -0.47 -5.01 115.29 114.05 1kya s HIS 91 Ca 0.00 -0.79 0.02 0.00 1.02 0.00 0.00 55.06 55.30 1kya s HIS 91 Cb 0.00 -1.01 -0.03 0.00 -1.02 0.00 0.00 32.58 30.52 1kya s HIS 91 CO 0.00 0.14 -0.07 -1.54 1.02 0.00 0.00 174.74 174.29 1kya s SER 92 N -3.38 0.89 0.01 1.40 1.04 -1.26 -1.41 113.70 110.99 1kya s SER 92 Ca 0.29 -0.69 0.01 0.00 0.48 0.00 0.00 55.95 56.04 1kya s SER 92 Cb 0.05 0.06 -0.01 0.00 0.10 0.00 0.00 66.02 66.22 1kya s SER 92 CO 0.10 -0.30 -0.04 0.12 0.98 0.00 0.00 173.24 174.11 1kya s PHE 93 N -2.10 0.32 -0.28 5.02 5.36 -0.63 -4.99 117.98 120.68 1kya s PHE 93 Ca -0.04 -0.17 -0.11 0.00 -0.96 0.00 0.00 56.93 55.65 1kya s PHE 93 Cb -0.05 -0.21 -0.05 0.00 -0.34 0.00 0.00 43.02 42.38 1kya s PHE 93 CO -0.01 -0.04 0.19 -1.17 -1.46 0.00 0.00 175.22 172.73 1kya s LEU 94 N -0.45 4.02 -0.40 6.12 2.96 -1.26 -1.03 118.68 128.63 1kya s LEU 94 Ca -0.02 -0.04 -0.19 0.00 -0.22 0.00 0.00 54.13 53.66 1kya s LEU 94 Cb -0.03 -2.11 0.01 0.00 0.50 0.00 0.00 46.19 44.56 1kya s LEU 94 CO -0.00 -0.06 0.53 -0.31 -1.32 0.00 0.00 176.35 175.19 1kya s TYR 95 N 1.75 3.14 -0.25 5.38 1.51 0.09 -4.97 117.35 124.01 1kya s TYR 95 Ca 0.07 -0.08 0.01 0.00 -1.01 0.00 0.00 57.07 56.06 1kya s TYR 95 Cb -0.16 -3.05 0.07 0.00 -0.11 0.00 0.00 41.96 38.70 1kya s TYR 95 CO 0.11 -0.70 -0.04 0.34 -1.11 0.00 0.00 175.55 174.15 1kya s ASP 96 N 1.86 3.99 0.14 2.29 2.15 -1.26 -0.54 116.67 125.30 1kya s ASP 96 Ca 0.18 -1.31 -0.10 0.00 0.43 0.00 0.00 52.55 51.74 1kya s ASP 96 Cb -0.15 -1.22 0.00 0.00 -0.30 0.00 0.00 42.92 41.24 1kya s ASP 96 CO 0.15 -0.26 0.29 0.72 -0.17 0.00 0.00 175.17 175.90 1kya s PHE 97 N 1.35 0.20 0.10 -5.34 -0.12 -0.19 -5.00 117.98 108.98 1kya s PHE 97 Ca -0.03 -0.58 0.06 0.00 -0.05 0.00 0.00 56.93 56.33 1kya s PHE 97 Cb -0.19 0.02 -0.04 0.00 -0.63 0.00 0.00 43.02 42.18 1kya s PHE 97 CO -0.08 -0.68 -0.05 -0.65 -0.05 0.00 0.00 175.22 173.72 1kya s GLN 98 N -3.91 2.34 -0.64 1.99 -0.21 -1.26 0.36 119.66 118.33 1kya s GLN 98 Ca 0.11 -0.94 0.05 0.00 0.02 0.00 0.00 55.36 54.60 1kya s GLN 98 Cb 0.03 -2.42 0.19 0.00 1.00 0.00 0.00 33.01 31.81 1kya s GLN 98 CO -0.05 0.52 0.55 0.28 -2.12 0.00 0.00 175.29 174.47 1kya n VAL 99 N 0.59 1.38 -3.74 1.09 0.31 -0.85 -4.84 118.33 112.28 1kya n VAL 99 Ca -0.12 -4.75 -0.21 0.00 -0.01 0.00 0.00 64.34 59.25 1kya n VAL 99 Cb 0.52 -2.09 -0.01 0.00 -0.91 0.00 0.00 33.84 31.35 1kya n VAL 99 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1kya s PRO 100 N -1.55 3.36 0.00 5.55 0.04 -1.26 0.28 135.00 141.42 1kya s PRO 100 Ca 0.30 -0.74 0.00 0.00 0.04 0.00 0.00 61.00 60.60 1kya s PRO 100 Cb 0.03 -2.83 0.00 0.00 0.04 0.00 0.00 34.50 31.74 1kya s PRO 100 CO -0.13 0.28 0.00 -0.40 0.04 0.00 0.00 177.00 176.79 1kya n ASP 101 N -1.54 -5.46 -4.02 6.66 5.68 -1.26 -4.89 116.55 111.72 1kya n ASP 101 Ca -0.06 0.00 -0.15 0.00 -0.50 0.00 0.00 54.79 54.08 1kya n ASP 101 Cb 0.57 -3.30 -0.13 0.00 -1.14 0.00 0.00 41.12 37.12 1kya n ASP 101 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 1kya s GLN 102 N -1.85 0.51 -0.29 0.11 -0.21 -1.26 -5.14 119.66 111.53 1kya s GLN 102 Ca 0.00 -0.48 -0.19 0.00 0.02 0.00 0.00 55.36 54.71 1kya s GLN 102 Cb 0.00 -0.39 0.14 0.00 1.00 0.00 0.00 33.01 33.76 1kya s GLN 102 CO 0.00 0.09 1.04 0.00 -2.12 0.00 0.00 175.29 174.30 1kya s ALA 103 N -0.73 -2.19 0.00 6.09 0.00 -1.26 -4.55 121.76 119.11 1kya s ALA 103 Ca -0.03 2.06 0.00 0.00 0.00 0.00 0.00 51.96 53.98 1kya s ALA 103 Cb -0.06 -1.64 0.00 0.00 0.00 0.00 0.00 23.12 21.42 1kya s ALA 103 CO 0.00 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 175.88 1kya n GLY 104 N 3.07 -0.02 3.65 0.00 0.00 -0.14 -4.75 105.19 106.99 1kya n GLY 104 Ca -0.16 -1.08 -0.35 0.00 0.00 0.00 0.00 46.02 44.44 1kya n GLY 104 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kya s THR 105 N -4.00 4.58 0.00 2.61 2.01 -1.26 -1.58 115.64 117.99 1kya s THR 105 Ca 0.00 -0.12 0.00 0.00 0.31 0.00 0.00 61.69 61.88 1kya s THR 105 Cb 0.00 -3.01 0.00 0.00 0.01 0.00 0.00 72.50 69.50 1kya s THR 105 CO 0.00 0.52 0.00 0.49 -0.69 0.00 0.00 174.62 174.94 1kya n PHE 106 N 2.99 -0.02 -3.62 4.92 3.72 0.23 -4.08 117.46 121.60 1kya n PHE 106 Ca -0.18 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.17 1kya n PHE 106 Cb 0.53 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.05 1kya n PHE 106 CO 0.00 0.00 0.00 1.67 -0.05 0.00 0.00 176.76 178.38 1kya s TRP 107 N -1.71 -0.24 0.15 1.38 1.48 -1.24 -1.50 118.94 117.26 1kya s TRP 107 Ca 0.00 0.03 0.08 0.00 -1.06 0.00 0.00 56.10 55.14 1kya s TRP 107 Cb 0.00 0.58 -0.04 0.00 -1.16 0.00 0.00 33.47 32.85 1kya s TRP 107 CO 0.00 -0.66 -0.17 1.52 -4.06 0.00 0.00 176.95 173.58 1kya s TYR 108 N -3.16 1.68 -0.19 1.66 1.13 0.99 -0.77 117.35 118.69 1kya s TYR 108 Ca 0.09 -0.50 -0.31 0.00 -1.41 0.00 0.00 57.07 54.94 1kya s TYR 108 Cb -0.01 -0.85 0.15 0.00 -1.10 0.00 0.00 41.96 40.15 1kya s TYR 108 CO -0.04 0.27 1.14 -3.38 -2.51 0.00 0.00 175.55 171.03 1kya s HIS 109 N -2.15 -0.22 0.48 -3.49 -3.43 -1.01 -0.53 115.29 104.94 1kya s HIS 109 Ca 0.14 0.33 -0.23 0.00 -0.80 0.00 0.00 55.06 54.51 1kya s HIS 109 Cb -0.05 0.48 -0.08 0.00 -1.43 0.00 0.00 32.58 31.50 1kya s HIS 109 CO 0.05 -0.24 1.10 0.45 -2.00 0.00 0.00 174.74 174.11 1kya n SER 110 N 0.46 1.60 -2.25 7.38 2.88 0.12 -1.69 113.62 122.11 1kya n SER 110 Ca -0.05 0.98 -0.19 0.00 -1.33 0.00 0.00 58.87 58.28 1kya n SER 110 Cb 0.59 -1.42 0.02 0.00 -0.75 0.00 0.00 64.21 62.65 1kya n SER 110 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 1kya n HIS 111 N -0.82 2.45 -4.02 0.66 -0.00 0.82 -4.31 115.22 109.99 1kya n HIS 111 Ca 0.10 -2.29 -0.31 0.00 0.46 0.00 0.00 57.72 55.67 1kya n HIS 111 Cb 0.42 -0.30 -0.15 0.00 -0.12 0.00 0.00 29.99 29.84 1kya n HIS 111 CO 0.00 0.00 0.00 -1.17 0.46 0.00 0.00 176.34 175.63 1kya s LEU 112 N -3.63 3.34 0.00 0.27 2.96 -1.26 -2.26 118.68 118.10 1kya s LEU 112 Ca 0.45 -1.44 0.00 0.00 -0.22 0.00 0.00 54.13 52.92 1kya s LEU 112 Cb 0.39 -1.44 0.00 0.00 0.50 0.00 0.00 46.19 45.64 1kya s LEU 112 CO 0.00 -0.23 0.00 -0.24 -1.32 0.00 0.00 176.35 174.56 1kya n SER 113 N 4.49 -0.07 -0.92 3.68 2.88 -1.26 -2.03 113.62 120.38 1kya n SER 113 Ca -0.11 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.47 1kya n SER 113 Cb 0.43 0.00 0.16 0.00 -0.75 0.00 0.00 64.21 64.05 1kya n SER 113 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1kya n THR 114 N 0.00 0.92 -0.08 2.46 -2.24 -1.26 -4.49 114.28 109.59 1kya n THR 114 Ca 0.00 -0.54 0.19 0.00 -2.27 0.00 0.00 64.05 61.43 1kya n THR 114 Cb 0.00 -0.17 0.62 0.00 -2.10 0.00 0.00 70.33 68.67 1kya n THR 114 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1kya h GLN 115 N 1.80 0.16 0.00 -0.78 4.15 -1.74 -0.02 115.11 118.69 1kya h GLN 115 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1kya h GLN 115 Cb 0.88 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.54 1kya h GLN 115 CO 0.14 0.11 0.00 0.10 -1.93 0.00 0.00 178.83 177.24 1kya h TYR 116 N 0.17 0.00 -0.07 3.99 -0.00 -1.79 -1.58 116.97 117.69 1kya h TYR 116 Ca 0.32 0.00 -0.14 0.00 0.00 0.00 0.00 58.73 58.91 1kya h TYR 116 Cb 1.02 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.74 1kya h TYR 116 CO -0.00 0.00 -0.58 0.00 -0.00 0.00 0.00 178.16 177.58 1kya n ASP 118 N -3.88 0.00 0.00 0.00 8.00 -0.60 -4.85 116.55 115.22 1kya n ASP 118 Ca -0.02 -1.36 0.00 0.00 0.71 0.00 0.00 54.79 54.11 1kya n ASP 118 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.70 1kya n ASP 118 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1kya n GLY 119 N 0.65 1.24 3.57 0.44 0.00 -1.06 -0.89 105.19 109.13 1kya n GLY 119 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1kya n GLY 119 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1kya s LEU 120 N 0.00 3.63 -0.21 0.99 2.96 -1.21 -4.38 118.68 120.46 1kya s LEU 120 Ca 0.00 -1.92 -0.27 0.00 -0.22 0.00 0.00 54.13 51.73 1kya s LEU 120 Cb 0.00 -2.58 0.08 0.00 0.50 0.00 0.00 46.19 44.19 1kya s LEU 120 CO 0.00 -1.47 0.77 0.00 -1.32 0.00 0.00 176.35 174.32 1kya s ARG 121 N 4.77 0.84 0.12 1.98 1.70 -1.26 -0.71 118.95 126.39 1kya s ARG 121 Ca 0.52 0.71 -0.24 0.00 -0.47 0.00 0.00 55.73 56.25 1kya s ARG 121 Cb 0.02 0.40 0.08 0.00 -0.57 0.00 0.00 34.95 34.88 1kya s ARG 121 CO 0.00 -0.16 0.66 0.20 -1.08 0.00 0.00 175.30 174.93 1kya s GLY 122 N -0.11 -0.59 0.32 3.88 0.00 0.31 0.14 107.32 111.28 1kya s GLY 122 Ca -0.02 0.62 -0.26 0.00 0.00 0.00 0.00 44.72 45.05 1kya s GLY 122 CO 0.02 0.22 0.95 2.56 0.00 0.00 0.00 173.10 176.85 1kya s PRO 123 N -3.56 4.58 -0.10 2.90 0.04 -1.26 -0.01 135.00 137.59 1kya s PRO 123 Ca 0.02 1.36 -0.01 0.00 0.04 0.00 0.00 61.00 62.40 1kya s PRO 123 Cb -0.01 -2.82 0.03 0.00 0.04 0.00 0.00 34.50 31.74 1kya s PRO 123 CO -0.12 0.27 -0.02 0.12 0.04 0.00 0.00 177.00 177.29 1kya s PHE 124 N -1.58 0.99 -0.08 0.56 2.19 -0.56 -1.29 117.98 118.19 1kya s PHE 124 Ca 0.50 -0.44 0.04 0.00 0.33 0.00 0.00 56.93 57.36 1kya s PHE 124 Cb -0.20 -0.97 0.00 0.00 -1.31 0.00 0.00 43.02 40.54 1kya s PHE 124 CO 0.25 -0.42 -0.21 0.08 1.83 0.00 0.00 175.22 176.74 1kya s VAL 125 N 1.87 1.84 -0.29 3.12 1.01 0.83 0.76 120.40 129.54 1kya s VAL 125 Ca 0.04 -0.91 -0.00 0.00 0.00 0.00 0.00 61.98 61.11 1kya s VAL 125 Cb -0.13 -1.59 0.05 0.00 0.00 0.00 0.00 36.38 34.71 1kya s VAL 125 CO -0.06 0.51 -0.03 -0.69 0.00 0.00 0.00 175.10 174.83 1kya s VAL 126 N 0.28 2.73 0.56 2.92 1.01 -0.62 -2.14 120.40 125.15 1kya s VAL 126 Ca -0.14 -1.49 -0.16 0.00 0.00 0.00 0.00 61.98 60.19 1kya s VAL 126 Cb -0.16 -2.59 -0.06 0.00 0.00 0.00 0.00 36.38 33.57 1kya s VAL 126 CO 0.07 -0.10 1.02 -0.31 0.00 0.00 0.00 175.10 175.77 1kya s TYR 127 N 1.20 3.29 -0.30 5.22 2.02 0.53 -0.97 117.35 128.33 1kya s TYR 127 Ca -0.06 1.47 -0.02 0.00 -0.37 0.00 0.00 57.07 58.09 1kya s TYR 127 Cb -0.20 -2.87 0.05 0.00 -0.40 0.00 0.00 41.96 38.54 1kya s TYR 127 CO -0.02 -0.70 0.00 0.34 -1.57 0.00 0.00 175.55 173.59 1kya s ASP 128 N -3.09 4.88 0.55 2.29 -1.08 -1.26 -0.41 116.67 118.55 1kya s ASP 128 Ca 0.60 -1.24 0.31 0.00 -0.52 0.00 0.00 52.55 51.70 1kya s ASP 128 Cb -0.12 -1.72 1.47 0.00 -1.46 0.00 0.00 42.92 41.09 1kya s ASP 128 CO 0.36 -0.26 1.88 -0.65 0.52 0.00 0.00 175.17 177.02 1kya h PRO 129 N 8.01 0.00 -1.16 4.34 0.11 -1.97 -1.59 132.00 139.74 1kya h PRO 129 Ca -0.22 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.37 1kya h PRO 129 Cb 1.06 0.00 -0.42 0.00 0.11 0.00 0.00 31.00 31.76 1kya h PRO 129 CO 0.54 0.00 -0.85 0.27 -0.21 0.00 0.00 178.00 177.74 1kya n ASN 130 N -4.08 4.03 -4.67 -2.05 6.94 -1.26 -5.08 115.26 109.09 1kya n ASN 130 Ca 0.16 -3.44 -0.48 0.00 -0.02 0.00 0.00 54.58 50.80 1kya n ASN 130 Cb 0.90 -0.44 -0.05 0.00 -2.36 0.00 0.00 39.78 37.83 1kya n ASN 130 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 1kya n ASP 131 N -0.48 3.05 -0.19 0.53 -0.08 -0.60 -4.88 116.55 113.89 1kya n ASP 131 Ca 0.33 1.05 0.09 0.00 -1.51 0.00 0.00 54.79 54.75 1kya n ASP 131 Cb 0.78 -1.37 0.38 0.00 2.34 0.00 0.00 41.12 43.24 1kya n ASP 131 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1kya h PRO 132 N 6.96 0.67 -0.60 -0.67 0.11 -1.98 -1.83 132.00 134.66 1kya h PRO 132 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1kya h PRO 132 Cb 1.27 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1kya h PRO 132 CO 0.90 0.44 0.00 0.00 -0.21 0.00 0.00 178.00 179.13 1kya n ALA 133 N -2.46 2.86 -0.30 -0.75 0.00 -1.26 -4.44 120.51 114.16 1kya n ALA 133 Ca 0.12 -1.06 0.05 0.00 0.00 0.00 0.00 53.44 52.54 1kya n ALA 133 Cb 0.31 -1.01 0.25 0.00 0.00 0.00 0.00 19.45 19.00 1kya n ALA 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kya h ALA 134 N 3.68 1.53 0.00 0.00 0.00 -1.70 -1.31 119.26 121.46 1kya h ALA 134 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1kya h ALA 134 Cb 1.04 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1kya h ALA 134 CO 0.15 0.32 0.00 -0.25 0.00 0.00 0.00 179.25 179.47 1kya n ASP 135 N -4.50 0.00 -0.23 0.00 8.00 -1.26 -2.83 116.55 115.73 1kya n ASP 135 Ca 0.14 0.21 0.13 0.00 0.71 0.00 0.00 54.79 55.99 1kya n ASP 135 Cb 0.22 -0.35 0.42 0.00 -0.02 0.00 0.00 41.12 41.38 1kya n ASP 135 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1kya n LEU 136 N -1.35 0.96 -3.70 0.64 4.77 -0.49 -4.95 117.00 112.86 1kya n LEU 136 Ca 0.06 -0.23 -0.11 0.00 -0.03 0.00 0.00 56.01 55.70 1kya n LEU 136 Cb 0.13 -0.13 -0.06 0.00 -2.33 0.00 0.00 43.42 41.04 1kya n LEU 136 CO 0.12 0.18 0.09 -0.72 -1.33 0.00 0.00 177.39 175.72 1kya s TYR 137 N -2.48 -0.13 -0.23 -1.77 -0.85 -1.13 -4.88 117.35 105.88 1kya s TYR 137 Ca 0.25 -0.12 0.07 0.00 -0.52 0.00 0.00 57.07 56.76 1kya s TYR 137 Cb 0.19 0.16 -0.20 0.00 0.38 0.00 0.00 41.96 42.50 1kya s TYR 137 CO 0.51 -0.61 -0.09 -0.25 -1.52 0.00 0.00 175.55 173.58 1kya n ASP 138 N 0.09 1.28 -4.22 -0.18 8.00 0.06 -4.97 116.55 116.61 1kya n ASP 138 Ca -0.17 -0.07 -0.30 0.00 0.71 0.00 0.00 54.79 54.96 1kya n ASP 138 Cb 0.62 0.07 -0.16 0.00 -0.02 0.00 0.00 41.12 41.63 1kya n ASP 138 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1kya s VAL 139 N -2.51 1.86 -0.41 2.53 1.01 -0.52 -5.00 120.40 117.35 1kya s VAL 139 Ca -0.25 -0.95 0.08 0.00 0.00 0.00 0.00 61.98 60.85 1kya s VAL 139 Cb 0.08 -1.59 0.18 0.00 0.00 0.00 0.00 36.38 35.05 1kya s VAL 139 CO 0.69 0.52 0.61 -0.62 0.00 0.00 0.00 175.10 176.30 1kya s ASP 140 N -0.03 -1.31 0.00 3.32 2.15 -1.26 -1.02 116.67 118.52 1kya s ASP 140 Ca -0.06 -0.88 0.00 0.00 0.43 0.00 0.00 52.55 52.05 1kya s ASP 140 Cb -0.14 1.85 0.00 0.00 -0.30 0.00 0.00 42.92 44.33 1kya s ASP 140 CO 0.04 -0.17 0.00 -0.46 -0.17 0.00 0.00 175.17 174.40 1kya n ASN 141 N 4.37 0.00 0.27 -0.34 0.23 -1.26 -5.02 115.26 113.50 1kya n ASN 141 Ca 0.11 0.00 0.11 0.00 -0.53 0.00 0.00 54.58 54.28 1kya n ASN 141 Cb 0.56 0.00 0.74 0.00 -2.08 0.00 0.00 39.78 39.00 1kya n ASN 141 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1kya h ASP 142 N 0.00 0.00 -0.11 0.53 5.19 -2.00 -2.93 116.42 117.10 1kya h ASP 142 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1kya h ASP 142 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1kya h ASP 142 CO 0.00 0.07 0.00 0.47 -3.12 0.00 0.00 179.24 176.66 1kya n ASP 143 N -3.99 1.87 -0.72 6.45 8.00 -1.26 -3.78 116.55 123.12 1kya n ASP 143 Ca -0.03 -1.68 0.06 0.00 0.71 0.00 0.00 54.79 53.86 1kya n ASP 143 Cb 0.16 -0.07 0.17 0.00 -0.02 0.00 0.00 41.12 41.37 1kya n ASP 143 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1kya n THR 144 N 0.46 1.06 -3.26 -3.53 -2.24 -1.10 -4.82 114.28 100.84 1kya n THR 144 Ca 0.17 -1.04 -0.38 0.00 -2.27 0.00 0.00 64.05 60.53 1kya n THR 144 Cb 0.39 0.46 -0.06 0.00 -2.10 0.00 0.00 70.33 69.02 1kya n THR 144 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1kya s VAL 145 N -1.09 5.16 -0.19 2.28 1.01 -1.25 0.14 120.40 126.46 1kya s VAL 145 Ca 0.27 1.04 0.01 0.00 0.00 0.00 0.00 61.98 63.30 1kya s VAL 145 Cb 0.14 -3.86 0.04 0.00 0.00 0.00 0.00 36.38 32.70 1kya s VAL 145 CO 0.17 0.30 -0.13 -0.63 0.00 0.00 0.00 175.10 174.81 1kya s ILE 146 N 0.77 1.75 -0.06 2.22 1.01 0.64 -4.88 121.20 122.63 1kya s ILE 146 Ca 0.28 -0.97 -0.02 0.00 0.00 0.00 0.00 60.65 59.94 1kya s ILE 146 Cb -0.16 -1.74 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 1kya s ILE 146 CO 0.11 0.28 0.03 0.42 0.00 0.00 0.00 174.94 175.79 1kya s THR 147 N 1.37 4.52 -0.14 2.92 -4.23 -1.26 -0.79 115.64 118.03 1kya s THR 147 Ca 0.01 -0.26 0.00 0.00 -1.18 0.00 0.00 61.69 60.25 1kya s THR 147 Cb -0.15 -2.95 -0.01 0.00 1.34 0.00 0.00 72.50 70.73 1kya s THR 147 CO -0.09 0.53 -0.15 -0.76 -0.54 0.00 0.00 174.62 173.61 1kya s LEU 148 N -1.14 2.59 -0.01 4.79 1.43 -0.15 -0.67 118.68 125.52 1kya s LEU 148 Ca 0.16 -0.39 0.03 0.00 -1.03 0.00 0.00 54.13 52.89 1kya s LEU 148 Cb -0.12 -1.58 -0.01 0.00 0.03 0.00 0.00 46.19 44.52 1kya s LEU 148 CO 0.06 0.14 -0.09 -0.69 0.23 0.00 0.00 176.35 176.00 1kya s VAL 149 N 0.51 0.68 -0.66 -1.59 1.01 0.62 -0.92 120.40 120.06 1kya s VAL 149 Ca -0.10 -0.37 -0.16 0.00 0.00 0.00 0.00 61.98 61.35 1kya s VAL 149 Cb -0.16 -0.58 0.15 0.00 0.00 0.00 0.00 36.38 35.80 1kya s VAL 149 CO 0.04 0.19 0.65 1.51 0.00 0.00 0.00 175.10 177.50 1kya s ASP 150 N -0.19 6.38 -0.13 3.32 -4.77 -1.26 0.25 116.67 120.27 1kya s ASP 150 Ca 0.03 -2.00 -0.20 0.00 -3.30 0.00 0.00 52.55 47.08 1kya s ASP 150 Cb -0.04 -2.24 -0.04 0.00 -1.09 0.00 0.00 42.92 39.52 1kya s ASP 150 CO -0.00 -0.83 0.56 0.86 0.70 0.00 0.00 175.17 176.45 1kya s TRP 151 N 1.44 3.48 0.04 2.11 -0.11 0.12 -4.80 118.94 121.22 1kya s TRP 151 Ca 0.11 0.96 0.03 0.00 1.22 0.00 0.00 56.10 58.42 1kya s TRP 151 Cb -0.22 -2.67 -0.04 0.00 -1.50 0.00 0.00 33.47 29.05 1kya s TRP 151 CO -0.01 0.05 0.00 0.71 -4.62 0.00 0.00 176.95 173.09 1kya s TYR 152 N 1.03 3.04 -0.14 5.86 1.51 -1.26 -1.54 117.35 125.85 1kya s TYR 152 Ca 0.29 0.04 0.15 0.00 -1.01 0.00 0.00 57.07 56.54 1kya s TYR 152 Cb -0.16 -1.62 0.01 0.00 -0.11 0.00 0.00 41.96 40.09 1kya s TYR 152 CO 0.12 0.47 1.32 0.45 -1.11 0.00 0.00 175.55 176.80 1kya h HIS 153 N 3.96 0.00 -3.08 2.71 3.86 -1.98 -3.45 115.15 117.18 1kya h HIS 153 Ca -0.48 0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.06 1kya h HIS 153 Cb 1.17 0.00 -0.12 0.00 1.06 0.00 0.00 27.41 29.52 1kya h HIS 153 CO 0.61 0.53 -0.57 0.08 0.86 0.00 0.00 177.93 179.45 1kya s VAL 154 N -2.95 4.78 0.78 2.45 1.01 -1.26 -4.94 120.40 120.26 1kya s VAL 154 Ca 0.03 -0.07 -0.14 0.00 0.00 0.00 0.00 61.98 61.80 1kya s VAL 154 Cb 0.08 -3.05 0.05 0.00 0.00 0.00 0.00 36.38 33.45 1kya s VAL 154 CO 0.76 0.59 1.08 0.00 0.00 0.00 0.00 175.10 177.53 1kya n ALA 155 N 2.28 -0.19 -0.14 5.51 0.00 -1.26 -4.72 120.51 121.99 1kya n ALA 155 Ca -0.19 -0.28 -0.03 0.00 0.00 0.00 0.00 53.44 52.94 1kya n ALA 155 Cb 0.54 -2.18 0.05 0.00 0.00 0.00 0.00 19.45 17.86 1kya n ALA 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kya h ALA 156 N -0.63 0.49 -0.00 0.00 0.00 -1.92 -1.64 119.26 115.57 1kya h ALA 156 Ca -0.47 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1kya h ALA 156 Cb 1.31 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1kya h ALA 156 CO 0.46 -0.32 -0.04 1.63 0.00 0.00 0.00 179.25 180.98 1kya n LYS 157 N -5.12 0.27 -0.04 0.00 5.02 -1.26 -3.75 118.16 113.28 1kya n LYS 157 Ca 0.04 -0.03 0.03 0.00 -2.02 0.00 0.00 58.31 56.33 1kya n LYS 157 Cb 0.22 -1.50 -0.16 0.00 -0.02 0.00 0.00 35.03 33.57 1kya n LYS 157 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1kya n LEU 158 N -1.34 0.03 0.00 -0.35 4.77 -0.84 -4.99 117.00 114.28 1kya n LEU 158 Ca 0.11 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1kya n LEU 158 Cb 0.29 0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1kya n LEU 158 CO 0.25 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 1kya n GLY 159 N 1.45 0.33 3.74 -0.72 0.00 -0.68 -4.95 105.19 104.36 1kya n GLY 159 Ca -0.15 -1.80 -0.33 0.00 0.00 0.00 0.00 46.02 43.74 1kya n GLY 159 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1kya s PRO 160 N 1.15 2.32 0.34 1.61 0.02 -1.26 -4.90 135.00 134.27 1kya s PRO 160 Ca 0.00 1.49 0.06 0.00 0.02 0.00 0.00 61.00 62.58 1kya s PRO 160 Cb 0.00 -1.88 0.60 0.00 0.02 0.00 0.00 34.50 33.24 1kya s PRO 160 CO 0.00 -1.64 1.83 0.00 -0.33 0.00 0.00 177.00 176.85 1kya h ALA 161 N -0.45 1.32 -2.86 -1.55 0.00 -1.96 -3.32 119.26 110.43 1kya h ALA 161 Ca -0.46 -0.27 -0.61 0.00 0.00 0.00 0.00 54.91 53.57 1kya h ALA 161 Cb 1.26 -0.11 -0.40 0.00 0.00 0.00 0.00 17.79 18.54 1kya h ALA 161 CO 0.51 0.46 -0.76 -0.06 0.00 0.00 0.00 179.25 179.40 1kya s PHE 162 N -4.63 2.07 0.27 0.00 0.08 -1.26 -4.84 117.98 109.67 1kya s PHE 162 Ca -0.06 -2.56 -0.02 0.00 0.12 0.00 0.00 56.93 54.41 1kya s PHE 162 Cb 0.15 -1.81 0.59 0.00 -0.57 0.00 0.00 43.02 41.38 1kya s PHE 162 CO 0.76 -0.75 1.42 -2.30 -0.10 0.00 0.00 175.22 174.26 1kya n PRO 163 N 3.10 -0.08 -3.17 0.24 -0.02 -1.25 -4.88 135.00 128.93 1kya n PRO 163 Ca 0.16 1.38 -0.15 0.00 -2.02 0.00 0.00 63.50 62.87 1kya n PRO 163 Cb 0.38 -2.15 0.05 0.00 -0.02 0.00 0.00 33.50 31.76 1kya n PRO 163 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1kya n LEU 164 N -5.39 -2.88 0.00 2.45 7.94 -1.26 -4.92 117.00 112.93 1kya n LEU 164 Ca 0.19 -0.33 0.00 0.00 -1.11 0.00 0.00 56.01 54.75 1kya n LEU 164 Cb 0.61 -2.07 0.00 0.00 0.53 0.00 0.00 43.42 42.49 1kya n LEU 164 CO -0.08 0.40 0.00 0.61 -1.11 0.00 0.00 177.39 177.21 1kya n GLY 165 N -1.43 4.37 3.90 -3.96 0.00 -1.26 -4.12 105.19 102.68 1kya n GLY 165 Ca 0.00 -0.94 -0.30 0.00 0.00 0.00 0.00 46.02 44.78 1kya n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kya s ALA 166 N -0.40 3.75 0.20 4.61 0.00 -1.26 -4.91 121.76 123.75 1kya s ALA 166 Ca 0.00 -0.59 0.26 0.00 0.00 0.00 0.00 51.96 51.63 1kya s ALA 166 Cb 0.00 -2.16 1.09 0.00 0.00 0.00 0.00 23.12 22.05 1kya s ALA 166 CO 0.00 0.54 1.90 -0.44 0.00 0.00 0.00 175.76 177.76 1kya h ASP 167 N 2.44 0.00 -4.03 0.00 3.32 -1.65 -3.33 116.42 113.18 1kya h ASP 167 Ca -0.47 0.00 0.03 0.00 0.02 0.00 0.00 57.03 56.61 1kya h ASP 167 Cb 1.17 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.50 1kya h ASP 167 CO 0.70 0.18 0.39 0.00 -1.72 0.00 0.00 179.24 178.80 1kya s ALA 168 N -3.78 -1.89 -0.09 3.45 0.00 -0.85 -4.33 121.76 114.28 1kya s ALA 168 Ca -0.00 1.67 -0.16 0.00 0.00 0.00 0.00 51.96 53.47 1kya s ALA 168 Cb 0.11 -0.83 -0.05 0.00 0.00 0.00 0.00 23.12 22.35 1kya s ALA 168 CO 0.61 -0.30 0.42 0.99 0.00 0.00 0.00 175.76 177.48 1kya s THR 169 N -0.54 5.16 -0.21 0.00 2.01 -1.26 -0.70 115.64 120.09 1kya s THR 169 Ca -0.02 0.83 -0.05 0.00 0.31 0.00 0.00 61.69 62.76 1kya s THR 169 Cb -0.02 -3.74 -0.02 0.00 0.01 0.00 0.00 72.50 68.72 1kya s THR 169 CO 0.01 0.43 0.01 -0.76 -0.69 0.00 0.00 174.62 173.61 1kya s LEU 170 N 0.01 3.24 -0.24 4.42 1.02 0.14 -4.15 118.68 123.12 1kya s LEU 170 Ca 0.23 -0.23 -0.04 0.00 0.02 0.00 0.00 54.13 54.11 1kya s LEU 170 Cb -0.15 -1.83 -0.00 0.00 0.02 0.00 0.00 46.19 44.22 1kya s LEU 170 CO 0.10 0.04 -0.02 -0.63 0.02 0.00 0.00 176.35 175.86 1kya s ILE 171 N 1.17 3.45 -1.43 -0.59 1.01 0.11 -0.27 121.20 124.65 1kya s ILE 171 Ca 0.03 -0.58 -0.08 0.00 0.00 0.00 0.00 60.65 60.02 1kya s ILE 171 Cb -0.14 -2.63 0.05 0.00 0.01 0.00 0.00 42.46 39.74 1kya s ILE 171 CO 0.01 0.33 0.88 0.59 0.00 0.00 0.00 174.94 176.75 1kya n ASN 172 N 4.80 -3.38 0.00 3.58 3.02 0.15 -2.18 115.26 121.25 1kya n ASN 172 Ca -0.17 -0.79 0.00 0.00 -0.03 0.00 0.00 54.58 53.59 1kya n ASN 172 Cb 0.50 -4.00 0.00 0.00 -0.61 0.00 0.00 39.78 35.67 1kya n ASN 172 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kya n GLY 173 N -1.66 2.77 3.42 7.41 0.00 -1.26 -4.90 105.19 110.96 1kya n GLY 173 Ca -0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 1kya n GLY 173 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kya s LYS 174 N -0.15 1.53 0.00 1.61 1.02 -0.93 -4.62 119.74 118.20 1kya s LYS 174 Ca 0.00 -1.62 0.00 0.00 0.02 0.00 0.00 55.97 54.37 1kya s LYS 174 Cb 0.00 -1.64 0.00 0.00 -0.52 0.00 0.00 37.83 35.67 1kya s LYS 174 CO 0.00 0.32 0.00 0.41 -0.92 0.00 0.00 175.35 175.16 1kya n GLY 175 N -0.21 -1.51 3.22 -3.33 0.00 -1.13 0.06 105.19 102.30 1kya n GLY 175 Ca -0.09 -1.06 -0.19 0.00 0.00 0.00 0.00 46.02 44.68 1kya n GLY 175 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kya s ARG 176 N -1.75 0.97 0.27 1.61 0.52 -1.26 -4.09 118.95 115.21 1kya s ARG 176 Ca 0.00 -1.14 0.09 0.00 -0.52 0.00 0.00 55.73 54.16 1kya s ARG 176 Cb 0.00 -0.94 -0.04 0.00 0.52 0.00 0.00 34.95 34.49 1kya s ARG 176 CO 0.00 0.20 0.08 -1.54 0.02 0.00 0.00 175.30 174.06 1kya s SER 177 N -2.15 4.92 0.59 0.23 1.04 -1.26 -4.31 113.70 112.76 1kya s SER 177 Ca 0.05 -0.50 0.26 0.00 0.48 0.00 0.00 55.95 56.24 1kya s SER 177 Cb -0.07 -1.05 1.42 0.00 0.10 0.00 0.00 66.02 66.42 1kya s SER 177 CO 0.03 -0.03 1.78 -0.65 0.98 0.00 0.00 173.24 175.35 1kya h PRO 178 N 1.72 0.00 -0.05 4.02 0.11 -1.93 0.54 132.00 136.41 1kya h PRO 178 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1kya h PRO 178 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1kya h PRO 178 CO 0.61 0.00 0.00 0.45 -0.21 0.00 0.00 178.00 178.85 1kya n SER 179 N -2.71 2.63 -3.02 -2.05 2.88 -1.26 -4.57 113.62 105.52 1kya n SER 179 Ca -0.02 -1.80 -0.15 0.00 -1.33 0.00 0.00 58.87 55.57 1kya n SER 179 Cb 0.37 -0.01 -0.01 0.00 -0.75 0.00 0.00 64.21 63.81 1kya n SER 179 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1kya n THR 180 N 1.08 0.16 0.78 2.46 -1.04 0.18 -4.95 114.28 112.95 1kya n THR 180 Ca 0.11 -4.00 0.07 0.00 -2.04 0.00 0.00 64.05 58.19 1kya n THR 180 Cb 0.48 0.08 0.39 0.00 -1.82 0.00 0.00 70.33 69.46 1kya n THR 180 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1kya n THR 181 N 0.18 0.28 0.09 12.58 -2.24 -1.22 -2.10 114.28 121.85 1kya n THR 181 Ca 0.19 0.07 0.08 0.00 -2.27 0.00 0.00 64.05 62.12 1kya n THR 181 Cb 0.71 -0.85 0.15 0.00 -2.10 0.00 0.00 70.33 68.25 1kya n THR 181 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1kya n THR 182 N -1.13 0.62 -2.03 4.28 -2.24 -1.26 -4.84 114.28 107.68 1kya n THR 182 Ca 0.09 -0.81 -0.40 0.00 -2.27 0.00 0.00 64.05 60.66 1kya n THR 182 Cb 0.08 0.81 -0.01 0.00 -2.10 0.00 0.00 70.33 69.11 1kya n THR 182 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kya s ALA 183 N -1.11 3.43 0.33 6.98 0.00 -0.89 -4.93 121.76 125.58 1kya s ALA 183 Ca 0.27 1.32 -0.29 0.00 0.00 0.00 0.00 51.96 53.26 1kya s ALA 183 Cb 0.15 -3.51 -0.12 0.00 0.00 0.00 0.00 23.12 19.64 1kya s ALA 183 CO 0.21 -0.80 1.37 -0.25 0.00 0.00 0.00 175.76 176.29 1kya n ASP 184 N 0.50 3.05 -4.85 0.00 9.92 -1.26 -4.84 116.55 119.06 1kya n ASP 184 Ca 0.01 1.20 -0.22 0.00 -0.53 0.00 0.00 54.79 55.26 1kya n ASP 184 Cb 0.42 -1.51 -0.04 0.00 -0.64 0.00 0.00 41.12 39.35 1kya n ASP 184 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1kya s LEU 185 N -1.05 3.90 0.44 0.64 1.43 -1.26 -3.99 118.68 118.80 1kya s LEU 185 Ca 0.57 -0.20 -0.22 0.00 -1.03 0.00 0.00 54.13 53.26 1kya s LEU 185 Cb -0.55 -2.44 -0.09 0.00 0.03 0.00 0.00 46.19 43.14 1kya s LEU 185 CO 0.60 -0.04 1.02 -0.44 0.23 0.00 0.00 176.35 177.72 1kya s SER 186 N -3.87 6.63 -0.09 2.29 0.01 -1.26 -4.91 113.70 112.49 1kya s SER 186 Ca 0.33 1.91 0.03 0.00 1.31 0.00 0.00 55.95 59.53 1kya s SER 186 Cb -0.08 -2.56 0.01 0.00 0.21 0.00 0.00 66.02 63.59 1kya s SER 186 CO 0.26 -0.58 -0.18 -0.69 0.41 0.00 0.00 173.24 172.46 1kya s VAL 187 N -1.90 1.62 -0.24 3.43 1.01 -1.26 -1.06 120.40 122.00 1kya s VAL 187 Ca 0.63 -0.75 -0.03 0.00 0.00 0.00 0.00 61.98 61.83 1kya s VAL 187 Cb -0.17 -1.44 0.01 0.00 0.00 0.00 0.00 36.38 34.79 1kya s VAL 187 CO 0.21 0.46 -0.05 -0.63 0.00 0.00 0.00 175.10 175.10 1kya s ILE 188 N 0.64 3.16 0.03 2.22 1.01 0.23 -4.97 121.20 123.51 1kya s ILE 188 Ca -0.14 -0.75 -0.16 0.00 0.00 0.00 0.00 60.65 59.60 1kya s ILE 188 Cb -0.16 -2.52 -0.06 0.00 0.01 0.00 0.00 42.46 39.72 1kya s ILE 188 CO 0.04 0.30 0.47 -0.44 0.00 0.00 0.00 174.94 175.31 1kya s SER 189 N 1.41 6.90 0.03 3.58 0.01 -1.26 -0.99 113.70 123.38 1kya s SER 189 Ca 0.03 1.07 0.01 0.00 1.31 0.00 0.00 55.95 58.38 1kya s SER 189 Cb -0.15 -2.29 -0.02 0.00 0.21 0.00 0.00 66.02 63.77 1kya s SER 189 CO -0.04 0.30 -0.06 0.68 0.41 0.00 0.00 173.24 174.54 1kya s VAL 190 N -1.10 0.38 -0.08 3.43 -7.23 -1.09 -4.96 120.40 109.75 1kya s VAL 190 Ca 0.26 -0.79 0.01 0.00 -1.81 0.00 0.00 61.98 59.64 1kya s VAL 190 Cb -0.18 -0.44 -0.03 0.00 0.56 0.00 0.00 36.38 36.30 1kya s VAL 190 CO 0.16 -0.28 -0.08 0.42 -0.31 0.00 0.00 175.10 175.01 1kya s THR 191 N -1.05 3.63 0.20 5.32 -4.23 -1.26 -1.55 115.64 116.70 1kya s THR 191 Ca -0.08 -0.50 -0.31 0.00 -1.18 0.00 0.00 61.69 59.62 1kya s THR 191 Cb -0.08 -2.49 -0.16 0.00 1.34 0.00 0.00 72.50 71.11 1kya s THR 191 CO -0.00 0.58 0.90 -2.65 -0.54 0.00 0.00 174.62 172.91 1kya n PRO 192 N 2.42 0.72 -0.17 3.99 -0.02 -1.26 -1.69 135.00 138.98 1kya n PRO 192 Ca -0.18 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 1kya n PRO 192 Cb 0.53 -1.55 0.00 0.00 -0.02 0.00 0.00 33.50 32.46 1kya n PRO 192 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1kya n GLY 193 N 1.74 2.42 3.88 -1.23 0.00 0.05 -5.00 105.19 107.05 1kya n GLY 193 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1kya n GLY 193 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kya s LYS 194 N -0.02 3.65 -0.13 1.61 1.02 -0.68 -4.85 119.74 120.34 1kya s LYS 194 Ca 0.00 -0.00 -0.06 0.00 0.02 0.00 0.00 55.97 55.93 1kya s LYS 194 Cb 0.00 -2.98 -0.04 0.00 -0.52 0.00 0.00 37.83 34.29 1kya s LYS 194 CO 0.00 0.57 0.08 1.03 -0.92 0.00 0.00 175.35 176.10 1kya s ARG 195 N -2.09 3.50 -0.03 1.68 0.52 -1.26 -0.92 118.95 120.35 1kya s ARG 195 Ca 0.33 -0.28 0.05 0.00 -0.52 0.00 0.00 55.73 55.32 1kya s ARG 195 Cb -0.13 -3.09 -0.01 0.00 0.52 0.00 0.00 34.95 32.24 1kya s ARG 195 CO 0.20 0.59 -0.19 0.71 0.02 0.00 0.00 175.30 176.62 1kya s TYR 196 N -0.51 1.78 -0.69 -0.53 1.51 0.36 -0.76 117.35 118.51 1kya s TYR 196 Ca 0.11 -0.44 -0.18 0.00 -1.01 0.00 0.00 57.07 55.54 1kya s TYR 196 Cb -0.12 -1.18 0.13 0.00 -0.11 0.00 0.00 41.96 40.68 1kya s TYR 196 CO 0.02 -0.11 0.80 0.50 -1.11 0.00 0.00 175.55 175.64 1kya s ARG 197 N -0.19 3.24 0.05 -0.62 3.52 -0.19 -1.30 118.95 123.46 1kya s ARG 197 Ca 0.01 -1.59 -0.26 0.00 -0.13 0.00 0.00 55.73 53.76 1kya s ARG 197 Cb -0.10 -4.41 -0.05 0.00 -1.56 0.00 0.00 34.95 28.83 1kya s ARG 197 CO 0.01 -1.55 0.80 -0.06 -0.81 0.00 0.00 175.30 173.69 1kya s PHE 198 N 2.28 3.74 -0.47 5.12 0.08 -0.27 -4.74 117.98 123.72 1kya s PHE 198 Ca 0.16 1.52 -0.07 0.00 0.12 0.00 0.00 56.93 58.66 1kya s PHE 198 Cb -0.18 -2.86 0.12 0.00 -0.57 0.00 0.00 43.02 39.53 1kya s PHE 198 CO 0.01 0.25 0.33 1.03 -0.10 0.00 0.00 175.22 176.74 1kya s ARG 199 N 0.00 2.39 -0.27 0.44 0.52 0.12 -1.38 118.95 120.78 1kya s ARG 199 Ca 0.40 -1.84 -0.25 0.00 -0.52 0.00 0.00 55.73 53.52 1kya s ARG 199 Cb -0.21 -3.84 -0.00 0.00 0.52 0.00 0.00 34.95 31.42 1kya s ARG 199 CO 0.24 -1.17 0.84 -1.17 0.02 0.00 0.00 175.30 174.06 1kya s LEU 200 N 1.20 4.07 -0.07 2.53 2.96 0.28 -0.26 118.68 129.38 1kya s LEU 200 Ca 0.07 0.91 0.03 0.00 -0.22 0.00 0.00 54.13 54.92 1kya s LEU 200 Cb -0.25 -3.19 0.01 0.00 0.50 0.00 0.00 46.19 43.26 1kya s LEU 200 CO -0.02 -0.59 -0.14 -0.69 -1.32 0.00 0.00 176.35 173.59 1kya s VAL 201 N 2.97 1.27 -0.32 1.68 1.01 0.03 -1.20 120.40 125.85 1kya s VAL 201 Ca 0.35 -0.56 -0.16 0.00 0.00 0.00 0.00 61.98 61.61 1kya s VAL 201 Cb -0.15 -1.15 -0.02 0.00 0.00 0.00 0.00 36.38 35.07 1kya s VAL 201 CO 0.10 0.38 0.41 -0.55 0.00 0.00 0.00 175.10 175.44 1kya s SER 202 N 0.59 6.24 -0.24 3.32 0.15 -0.68 -0.98 113.70 122.10 1kya s SER 202 Ca -0.15 0.01 0.14 0.00 0.70 0.00 0.00 55.95 56.65 1kya s SER 202 Cb -0.16 -2.22 0.71 0.00 -1.71 0.00 0.00 66.02 62.64 1kya s SER 202 CO 0.04 -0.32 1.66 0.18 1.20 0.00 0.00 173.24 176.00 1kya n LEU 203 N 5.46 5.21 -4.76 3.45 4.77 -0.10 -1.82 117.00 129.21 1kya n LEU 203 Ca -0.08 -3.07 -0.38 0.00 -0.03 0.00 0.00 56.01 52.46 1kya n LEU 203 Cb 0.50 -0.66 0.02 0.00 -2.33 0.00 0.00 43.42 40.95 1kya n LEU 203 CO 0.40 0.71 0.92 -0.55 -1.33 0.00 0.00 177.39 177.55 1kya s SER 204 N -1.27 5.63 0.04 -1.43 0.15 -1.22 -4.71 113.70 110.89 1kya s SER 204 Ca 0.51 2.58 0.19 0.00 0.70 0.00 0.00 55.95 59.93 1kya s SER 204 Cb 0.40 -2.62 -0.16 0.00 -1.71 0.00 0.00 66.02 61.92 1kya s SER 204 CO 0.13 -1.31 0.70 0.00 1.20 0.00 0.00 173.24 173.96 1kya n ASP 206 N -2.69 -0.96 -4.57 0.00 -0.08 -1.26 -0.37 116.55 106.62 1kya n ASP 206 Ca -0.09 0.42 -0.40 0.00 -1.51 0.00 0.00 54.79 53.20 1kya n ASP 206 Cb 0.76 1.05 0.02 0.00 2.34 0.00 0.00 41.12 45.30 1kya n ASP 206 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1kya n PRO 207 N -3.15 1.03 -4.18 -0.67 -0.02 -1.26 -4.70 135.00 122.05 1kya n PRO 207 Ca 0.00 0.38 -0.29 0.00 -2.02 0.00 0.00 63.50 61.57 1kya n PRO 207 Cb 0.00 -1.94 -0.08 0.00 -0.02 0.00 0.00 33.50 31.46 1kya n PRO 207 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1kya s ASN 208 N -0.93 4.78 0.02 2.55 6.03 -1.26 -3.81 114.94 122.33 1kya s ASN 208 Ca 0.66 -0.30 0.08 0.00 -1.03 0.00 0.00 52.86 52.28 1kya s ASN 208 Cb -0.52 -1.05 -0.02 0.00 -3.03 0.00 0.00 41.25 36.63 1kya s ASN 208 CO 0.55 0.15 -0.24 -0.31 -2.03 0.00 0.00 177.10 175.21 1kya s TYR 209 N -1.41 2.15 -0.52 1.54 2.02 0.50 -2.24 117.35 119.39 1kya s TYR 209 Ca 0.25 -0.40 -0.17 0.00 -0.37 0.00 0.00 57.07 56.38 1kya s TYR 209 Cb -0.11 -1.32 0.08 0.00 -0.40 0.00 0.00 41.96 40.22 1kya s TYR 209 CO 0.17 0.06 0.54 0.99 -1.57 0.00 0.00 175.55 175.75 1kya s THR 210 N -0.72 5.04 -0.15 -0.71 2.01 -0.45 0.38 115.64 121.05 1kya s THR 210 Ca 0.10 -0.96 -0.13 0.00 0.31 0.00 0.00 61.69 61.01 1kya s THR 210 Cb -0.09 -4.29 -0.05 0.00 0.01 0.00 0.00 72.50 68.08 1kya s THR 210 CO 0.01 -0.80 0.28 0.12 -0.69 0.00 0.00 174.62 173.53 1kya s PHE 211 N 2.13 3.49 0.12 4.92 5.36 0.36 -1.93 117.98 132.43 1kya s PHE 211 Ca 0.08 0.60 -0.15 0.00 -0.96 0.00 0.00 56.93 56.50 1kya s PHE 211 Cb -0.24 -2.29 0.03 0.00 -0.34 0.00 0.00 43.02 40.19 1kya s PHE 211 CO 0.07 0.32 0.39 -1.54 -1.46 0.00 0.00 175.22 173.00 1kya s SER 212 N 0.21 -0.21 -0.16 6.13 1.04 -0.26 -0.28 113.70 120.18 1kya s SER 212 Ca 0.16 -0.35 -0.01 0.00 0.48 0.00 0.00 55.95 56.24 1kya s SER 212 Cb -0.13 0.46 0.04 0.00 0.10 0.00 0.00 66.02 66.49 1kya s SER 212 CO 0.04 -0.85 -0.05 -0.63 0.98 0.00 0.00 173.24 172.74 1kya s ILE 213 N -3.81 1.02 0.16 -1.02 1.01 -1.26 -0.47 121.20 116.83 1kya s ILE 213 Ca 0.03 -0.54 -0.34 0.00 0.00 0.00 0.00 60.65 59.80 1kya s ILE 213 Cb 0.02 -1.20 -0.15 0.00 0.01 0.00 0.00 42.46 41.14 1kya s ILE 213 CO -0.12 0.15 1.29 0.47 0.00 0.00 0.00 174.94 176.73 1kya n ASP 214 N 4.91 1.81 0.00 3.58 8.00 -0.79 -1.75 116.55 132.31 1kya n ASP 214 Ca -0.11 1.13 0.00 0.00 0.71 0.00 0.00 54.79 56.51 1kya n ASP 214 Cb 0.48 -1.26 0.00 0.00 -0.02 0.00 0.00 41.12 40.32 1kya n ASP 214 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1kya n GLY 215 N 2.31 0.46 3.23 0.44 0.00 -1.26 -4.78 105.19 105.58 1kya n GLY 215 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 1kya n GLY 215 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1kya s HIS 216 N -2.32 1.54 0.49 1.61 3.76 -0.72 -4.93 115.29 114.73 1kya s HIS 216 Ca 0.00 -0.42 0.08 0.00 -0.15 0.00 0.00 55.06 54.58 1kya s HIS 216 Cb 0.00 -0.87 0.04 0.00 1.11 0.00 0.00 32.58 32.87 1kya s HIS 216 CO 0.00 0.12 0.67 -0.80 -0.85 0.00 0.00 174.74 173.89 1kya s ASN 217 N -1.67 5.40 -0.09 1.40 0.01 -1.26 -4.62 114.94 114.11 1kya s ASN 217 Ca 0.03 -0.59 -0.04 0.00 -0.71 0.00 0.00 52.86 51.55 1kya s ASN 217 Cb -0.10 -0.25 0.05 0.00 0.41 0.00 0.00 41.25 41.36 1kya s ASN 217 CO 0.03 -1.03 0.19 -0.04 -1.51 0.00 0.00 177.10 174.74 1kya s MET 218 N -4.50 0.11 -0.45 -0.60 -1.94 0.33 -4.76 119.30 107.49 1kya s MET 218 Ca 0.58 0.52 -0.14 0.00 -1.71 0.00 0.00 55.69 54.94 1kya s MET 218 Cb -0.08 -0.17 0.06 0.00 2.01 0.00 0.00 34.83 36.65 1kya s MET 218 CO 0.36 -0.22 0.35 0.99 -0.01 0.00 0.00 175.02 176.49 1kya s THR 219 N 1.67 5.06 0.10 2.05 2.01 -0.82 0.10 115.64 125.81 1kya s THR 219 Ca -0.05 -1.03 -0.31 0.00 0.31 0.00 0.00 61.69 60.62 1kya s THR 219 Cb -0.11 -3.98 -0.08 0.00 0.01 0.00 0.00 72.50 68.34 1kya s THR 219 CO -0.07 -0.50 1.39 -0.63 -0.69 0.00 0.00 174.62 174.12 1kya s ILE 220 N 1.61 3.37 0.00 1.82 1.01 0.46 -0.12 121.20 129.36 1kya s ILE 220 Ca 0.04 0.96 0.00 0.00 0.00 0.00 0.00 60.65 61.65 1kya s ILE 220 Cb -0.23 -3.62 0.00 0.00 0.01 0.00 0.00 42.46 38.63 1kya s ILE 220 CO 0.07 0.06 0.49 2.30 0.00 0.00 0.00 174.94 177.85 1kya n ILE 221 N 4.06 0.22 -3.63 2.92 -5.35 0.21 -2.16 119.36 115.63 1kya n ILE 221 Ca 0.12 -0.41 -0.12 0.00 -0.27 0.00 0.00 62.75 62.06 1kya n ILE 221 Cb 0.43 1.14 -0.07 0.00 -1.74 0.00 0.00 39.64 39.39 1kya n ILE 221 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1kya s GLU 222 N -0.22 0.80 -0.07 6.28 2.12 -1.17 -1.75 118.70 124.68 1kya s GLU 222 Ca 0.00 1.03 -0.01 0.00 0.36 0.00 0.00 54.97 56.35 1kya s GLU 222 Cb 0.00 0.35 0.03 0.00 0.26 0.00 0.00 34.13 34.76 1kya s GLU 222 CO 0.00 -0.11 -0.00 -0.08 -0.54 0.00 0.00 175.26 174.53 1kya s THR 223 N 0.64 0.41 -1.49 -1.70 -1.32 -0.63 -1.70 115.64 109.85 1kya s THR 223 Ca -0.02 0.09 -0.07 0.00 -1.21 0.00 0.00 61.69 60.49 1kya s THR 223 Cb -0.05 -0.56 0.05 0.00 -1.51 0.00 0.00 72.50 70.43 1kya s THR 223 CO -0.04 0.26 0.60 0.47 -2.21 0.00 0.00 174.62 173.71 1kya n ASP 224 N 5.10 -1.70 0.00 8.08 9.92 -0.68 -1.00 116.55 136.27 1kya n ASP 224 Ca -0.08 -0.97 0.00 0.00 -0.53 0.00 0.00 54.79 53.21 1kya n ASP 224 Cb 0.50 -3.15 0.00 0.00 -0.64 0.00 0.00 41.12 37.83 1kya n ASP 224 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1kya n SER 225 N -2.89 0.00 -4.64 -2.24 7.64 -1.26 -4.47 113.62 105.77 1kya n SER 225 Ca -0.17 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.35 1kya n SER 225 Cb 0.62 -0.12 -0.10 0.00 -1.01 0.00 0.00 64.21 63.60 1kya n SER 225 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1kya s ILE 226 N -3.64 5.17 0.19 0.44 1.09 -0.17 -4.64 121.20 119.64 1kya s ILE 226 Ca 0.00 0.11 -0.33 0.00 -1.10 0.00 0.00 60.65 59.33 1kya s ILE 226 Cb 0.00 -3.39 -0.13 0.00 -1.06 0.00 0.00 42.46 37.88 1kya s ILE 226 CO 0.00 0.37 1.64 0.59 -0.10 0.00 0.00 174.94 177.44 1kya n ASN 227 N 4.15 3.50 -4.38 3.58 3.02 -1.26 -1.60 115.26 122.28 1kya n ASN 227 Ca -0.15 1.08 -0.30 0.00 -0.03 0.00 0.00 54.58 55.17 1kya n ASN 227 Cb 0.52 -1.50 -0.14 0.00 -0.61 0.00 0.00 39.78 38.05 1kya n ASN 227 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1kya s THR 228 N 0.96 2.34 0.33 3.41 2.01 -0.72 -0.28 115.64 123.69 1kya s THR 228 Ca 0.76 -1.37 -0.29 0.00 0.31 0.00 0.00 61.69 61.10 1kya s THR 228 Cb -0.60 -1.95 -0.11 0.00 0.01 0.00 0.00 72.50 69.85 1kya s THR 228 CO 0.36 0.33 1.56 0.00 -0.69 0.00 0.00 174.62 176.18 1kya s ALA 229 N -0.87 3.69 0.12 7.40 0.00 0.66 -4.52 121.76 128.23 1kya s ALA 229 Ca 0.13 1.59 -0.35 0.00 0.00 0.00 0.00 51.96 53.33 1kya s ALA 229 Cb -0.10 -3.64 -0.15 0.00 0.00 0.00 0.00 23.12 19.22 1kya s ALA 229 CO 0.03 -1.03 1.46 -2.30 0.00 0.00 0.00 175.76 173.92 1kya n PRO 230 N 1.50 1.62 -3.80 0.00 -0.02 -1.26 -4.74 135.00 128.30 1kya n PRO 230 Ca 0.05 0.58 -0.25 0.00 -2.02 0.00 0.00 63.50 61.87 1kya n PRO 230 Cb 0.38 -2.29 -0.17 0.00 -0.02 0.00 0.00 33.50 31.40 1kya n PRO 230 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1kya s LEU 231 N 0.73 0.82 -0.11 2.45 2.96 -0.92 -4.95 118.68 119.66 1kya s LEU 231 Ca 0.82 -0.24 -0.29 0.00 -0.22 0.00 0.00 54.13 54.20 1kya s LEU 231 Cb -0.83 -0.56 -0.01 0.00 0.50 0.00 0.00 46.19 45.29 1kya s LEU 231 CO 0.43 -0.19 0.98 -0.69 -1.32 0.00 0.00 176.35 175.55 1kya s VAL 232 N 1.89 4.80 0.12 1.68 1.01 -1.26 -0.40 120.40 128.23 1kya s VAL 232 Ca 0.04 1.98 0.05 0.00 0.00 0.00 0.00 61.98 64.05 1kya s VAL 232 Cb -0.13 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 1kya s VAL 232 CO -0.06 0.01 -0.13 -0.69 0.00 0.00 0.00 175.10 174.23 1kya s VAL 233 N 2.02 1.24 -0.15 2.92 1.01 0.29 -4.96 120.40 122.76 1kya s VAL 233 Ca 0.47 -1.70 -0.08 0.00 0.00 0.00 0.00 61.98 60.67 1kya s VAL 233 Cb -0.18 -1.49 -0.24 0.00 0.00 0.00 0.00 36.38 34.48 1kya s VAL 233 CO 0.17 -0.45 0.24 -0.67 0.00 0.00 0.00 175.10 174.40 1kya n ASP 234 N 0.55 2.07 -3.65 3.32 2.03 0.58 -0.51 116.55 120.94 1kya n ASP 234 Ca -0.16 0.19 -0.11 0.00 0.52 0.00 0.00 54.79 55.24 1kya n ASP 234 Cb 0.57 -0.82 -0.05 0.00 -0.72 0.00 0.00 41.12 40.10 1kya n ASP 234 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1kya s SER 235 N -6.96 -0.24 -0.08 1.67 1.04 -1.25 -4.63 113.70 103.24 1kya s SER 235 Ca -0.25 -0.22 0.02 0.00 0.48 0.00 0.00 55.95 55.97 1kya s SER 235 Cb 0.07 0.45 0.02 0.00 0.10 0.00 0.00 66.02 66.66 1kya s SER 235 CO 0.72 -0.79 -0.12 -0.63 0.98 0.00 0.00 173.24 173.40 1kya s ILE 236 N -3.37 1.19 -0.40 -1.02 1.01 0.62 -1.39 121.20 117.83 1kya s ILE 236 Ca 0.00 -0.48 -0.16 0.00 0.00 0.00 0.00 60.65 60.01 1kya s ILE 236 Cb 0.01 -1.10 0.02 0.00 0.01 0.00 0.00 42.46 41.39 1kya s ILE 236 CO -0.09 0.37 0.34 -1.58 0.00 0.00 0.00 174.94 173.99 1kya s GLN 237 N 0.88 3.08 -0.17 2.79 0.74 -1.26 0.13 119.66 125.85 1kya s GLN 237 Ca -0.10 -0.88 -0.02 0.00 0.05 0.00 0.00 55.36 54.40 1kya s GLN 237 Cb -0.15 -3.95 -0.01 0.00 1.10 0.00 0.00 33.01 29.99 1kya s GLN 237 CO 0.01 -0.75 -0.08 -1.50 -0.55 0.00 0.00 175.29 172.43 1kya s ILE 238 N 1.84 3.33 0.58 -2.34 2.07 0.16 -4.93 121.20 121.91 1kya s ILE 238 Ca 0.08 -0.54 -0.02 0.00 -1.41 0.00 0.00 60.65 58.76 1kya s ILE 238 Cb -0.18 -2.46 0.03 0.00 0.13 0.00 0.00 42.46 39.98 1kya s ILE 238 CO 0.11 0.48 0.84 -0.36 -1.91 0.00 0.00 174.94 174.10 1kya s PHE 239 N 0.82 2.99 0.08 3.50 0.40 -1.26 -0.37 117.98 124.14 1kya s PHE 239 Ca -0.03 0.25 -0.36 0.00 -0.60 0.00 0.00 56.93 56.19 1kya s PHE 239 Cb -0.15 -2.80 -0.16 0.00 0.51 0.00 0.00 43.02 40.42 1kya s PHE 239 CO 0.01 -0.93 1.40 0.00 0.70 0.00 0.00 175.22 176.40 1kya n ALA 240 N -2.50 -0.56 -0.02 5.36 0.00 -1.25 -1.67 120.51 119.86 1kya n ALA 240 Ca 0.06 0.50 0.00 0.00 0.00 0.00 0.00 53.44 54.00 1kya n ALA 240 Cb 0.59 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.91 1kya n ALA 240 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kya n ALA 241 N 2.83 0.00 -1.43 0.00 0.00 -0.75 -4.90 120.51 116.25 1kya n ALA 241 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.33 1kya n ALA 241 Cb 0.20 -0.05 0.13 0.00 0.00 0.00 0.00 19.45 19.74 1kya n ALA 241 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1kya s GLN 242 N -0.00 1.25 0.04 0.00 -0.21 -0.67 -4.71 119.66 115.35 1kya s GLN 242 Ca 0.00 0.48 -0.08 0.00 0.02 0.00 0.00 55.36 55.78 1kya s GLN 242 Cb 0.00 -1.84 0.00 0.00 1.00 0.00 0.00 33.01 32.17 1kya s GLN 242 CO 0.00 -2.16 0.17 1.03 -2.12 0.00 0.00 175.29 172.21 1kya s ARG 243 N -5.15 0.65 -0.20 2.91 3.00 -1.26 -1.69 118.95 117.22 1kya s ARG 243 Ca 0.63 -0.64 -0.14 0.00 0.00 0.00 0.00 55.73 55.59 1kya s ARG 243 Cb -0.16 0.27 0.06 0.00 0.00 0.00 0.00 34.95 35.12 1kya s ARG 243 CO 0.55 -0.18 0.49 0.71 0.00 0.00 0.00 175.30 176.87 1kya s TYR 244 N -2.47 -0.66 -0.19 -0.53 2.02 -0.34 -1.68 117.35 113.50 1kya s TYR 244 Ca -0.06 1.45 -0.08 0.00 -0.37 0.00 0.00 57.07 58.01 1kya s TYR 244 Cb -0.02 0.29 -0.04 0.00 -0.40 0.00 0.00 41.96 41.79 1kya s TYR 244 CO -0.04 -0.34 0.08 -1.12 -1.57 0.00 0.00 175.55 172.57 1kya s SER 245 N 0.95 5.83 0.02 2.29 0.01 -0.69 -0.56 113.70 121.55 1kya s SER 245 Ca -0.06 0.14 0.02 0.00 1.31 0.00 0.00 55.95 57.36 1kya s SER 245 Cb -0.06 -2.00 -0.01 0.00 0.21 0.00 0.00 66.02 64.16 1kya s SER 245 CO -0.08 0.18 -0.07 0.72 0.41 0.00 0.00 173.24 174.40 1kya s PHE 246 N 0.33 0.62 -0.14 2.43 -0.12 -0.48 -0.62 117.98 120.00 1kya s PHE 246 Ca 0.05 -0.28 -0.12 0.00 -0.05 0.00 0.00 56.93 56.52 1kya s PHE 246 Cb -0.12 -0.38 -0.05 0.00 -0.63 0.00 0.00 43.02 41.84 1kya s PHE 246 CO -0.01 -0.04 0.26 0.08 -0.05 0.00 0.00 175.22 175.47 1kya s VAL 247 N -0.71 5.32 -0.08 -2.49 1.01 0.83 -1.12 120.40 123.16 1kya s VAL 247 Ca -0.03 0.48 0.03 0.00 0.00 0.00 0.00 61.98 62.46 1kya s VAL 247 Cb -0.06 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.75 1kya s VAL 247 CO 0.00 0.45 -0.17 -0.22 0.00 0.00 0.00 175.10 175.16 1kya s LEU 248 N 0.05 1.84 -0.27 3.92 0.20 -0.42 -1.94 118.68 122.06 1kya s LEU 248 Ca 0.16 -0.41 -0.11 0.00 0.69 0.00 0.00 54.13 54.46 1kya s LEU 248 Cb -0.13 -1.08 -0.05 0.00 -0.43 0.00 0.00 46.19 44.50 1kya s LEU 248 CO 0.04 0.09 0.19 -1.61 -0.29 0.00 0.00 176.35 174.77 1kya s GLU 249 N 0.52 4.00 -1.18 1.98 2.02 -1.26 -0.49 118.70 124.29 1kya s GLU 249 Ca -0.16 -0.28 -0.18 0.00 0.02 0.00 0.00 54.97 54.37 1kya s GLU 249 Cb -0.17 -3.62 -0.04 0.00 0.10 0.00 0.00 34.13 30.41 1kya s GLU 249 CO 0.06 -0.10 2.02 0.00 0.02 0.00 0.00 175.26 177.26 1kya n ALA 250 N 4.81 4.08 0.19 5.21 0.00 -0.10 -4.48 120.51 130.22 1kya n ALA 250 Ca -0.14 -3.59 0.07 0.00 0.00 0.00 0.00 53.44 49.77 1kya n ALA 250 Cb 0.52 -3.58 0.12 0.00 0.00 0.00 0.00 19.45 16.51 1kya n ALA 250 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1kya n ASN 251 N 7.85 2.59 -4.84 0.00 0.23 -1.26 -0.77 115.26 119.06 1kya n ASN 251 Ca 0.50 -1.77 -0.22 0.00 -0.53 0.00 0.00 54.58 52.56 1kya n ASN 251 Cb 0.41 -0.13 0.07 0.00 -2.08 0.00 0.00 39.78 38.05 1kya n ASN 251 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 1kya s GLN 252 N -1.06 2.12 0.40 -3.83 -1.52 -1.26 -5.01 119.66 109.49 1kya s GLN 252 Ca 0.21 -1.00 -0.27 0.00 -1.95 0.00 0.00 55.36 52.35 1kya s GLN 252 Cb 0.13 -2.42 -0.10 0.00 -0.22 0.00 0.00 33.01 30.39 1kya s GLN 252 CO 0.18 -1.07 1.48 0.00 -0.25 0.00 0.00 175.29 175.62 1kya s ALA 253 N -2.94 3.50 -0.07 6.09 0.00 -1.26 -4.85 121.76 122.23 1kya s ALA 253 Ca 0.62 1.56 -0.34 0.00 0.00 0.00 0.00 51.96 53.80 1kya s ALA 253 Cb -0.08 -3.61 -0.11 0.00 0.00 0.00 0.00 23.12 19.32 1kya s ALA 253 CO 0.41 -1.10 1.90 0.28 0.00 0.00 0.00 175.76 177.25 1kya n VAL 254 N 0.29 0.61 -3.95 0.00 0.31 -1.26 -4.84 118.33 109.49 1kya n VAL 254 Ca 0.02 -0.11 0.02 0.00 -0.01 0.00 0.00 64.34 64.26 1kya n VAL 254 Cb 0.40 -1.94 0.01 0.00 -0.91 0.00 0.00 33.84 31.40 1kya n VAL 254 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1kya n ASP 255 N 6.78 -0.99 -4.67 4.52 -0.08 -1.26 -4.87 116.55 115.97 1kya n ASP 255 Ca 0.22 -1.27 -0.35 0.00 -1.51 0.00 0.00 54.79 51.89 1kya n ASP 255 Cb 0.31 1.56 -0.09 0.00 2.34 0.00 0.00 41.12 45.24 1kya n ASP 255 CO 0.00 0.00 0.00 0.20 0.12 0.00 0.00 177.20 177.52 1kya s ASN 256 N -3.17 5.79 -0.02 1.67 0.01 -1.26 -2.10 114.94 115.86 1kya s ASN 256 Ca 0.23 0.14 0.06 0.00 -0.71 0.00 0.00 52.86 52.58 1kya s ASN 256 Cb -0.01 -1.98 -0.01 0.00 0.41 0.00 0.00 41.25 39.66 1kya s ASN 256 CO 0.00 0.20 -0.20 -0.31 -1.51 0.00 0.00 177.10 175.28 1kya s TYR 257 N 0.22 1.86 0.18 2.20 1.51 0.81 -4.48 117.35 119.65 1kya s TYR 257 Ca 0.05 -0.39 -0.30 0.00 -1.01 0.00 0.00 57.07 55.42 1kya s TYR 257 Cb -0.12 -1.20 -0.08 0.00 -0.11 0.00 0.00 41.96 40.44 1kya s TYR 257 CO -0.00 -0.06 1.28 -1.58 -1.11 0.00 0.00 175.55 174.09 1kya s TRP 258 N -0.40 3.31 -0.28 2.71 0.23 -1.26 -0.60 118.94 122.64 1kya s TRP 258 Ca 0.06 1.24 -0.06 0.00 -2.03 0.00 0.00 56.10 55.31 1kya s TRP 258 Cb -0.09 -3.56 0.01 0.00 0.03 0.00 0.00 33.47 29.86 1kya s TRP 258 CO -0.00 -1.74 0.06 0.42 0.96 0.00 0.00 176.95 176.65 1kya s ILE 259 N 0.25 3.85 -0.10 2.03 1.01 -0.36 -1.88 121.20 125.99 1kya s ILE 259 Ca 0.57 -0.66 -0.02 0.00 0.00 0.00 0.00 60.65 60.54 1kya s ILE 259 Cb -0.35 -2.95 -0.03 0.00 0.01 0.00 0.00 42.46 39.14 1kya s ILE 259 CO 0.36 0.14 -0.00 -0.13 0.00 0.00 0.00 174.94 175.32 1kya s ARG 260 N 1.49 3.13 -0.43 2.79 0.52 0.38 -0.63 118.95 126.20 1kya s ARG 260 Ca 0.03 -0.42 0.03 0.00 -0.52 0.00 0.00 55.73 54.85 1kya s ARG 260 Cb -0.17 -2.83 0.16 0.00 0.52 0.00 0.00 34.95 32.63 1kya s ARG 260 CO 0.01 0.62 0.31 0.00 0.02 0.00 0.00 175.30 176.27 1kya s ALA 261 N -0.64 1.57 -0.31 2.13 0.00 -0.61 -1.10 121.76 122.80 1kya s ALA 261 Ca 0.10 -2.45 -0.24 0.00 0.00 0.00 0.00 51.96 49.37 1kya s ALA 261 Cb -0.12 -1.67 0.00 0.00 0.00 0.00 0.00 23.12 21.33 1kya s ALA 261 CO 0.02 -2.02 0.83 1.21 0.00 0.00 0.00 175.76 175.80 1kya s ASN 262 N 0.19 6.71 0.59 0.00 2.47 -0.81 -4.76 114.94 119.32 1kya s ASN 262 Ca 0.27 0.73 -0.16 0.00 0.42 0.00 0.00 52.86 54.12 1kya s ASN 262 Cb -0.06 -2.43 -0.04 0.00 -1.45 0.00 0.00 41.25 37.27 1kya s ASN 262 CO -0.13 -0.65 1.06 -2.16 -3.72 0.00 0.00 177.10 171.50 1kya s PRO 263 N 3.06 3.35 0.51 0.43 0.04 -1.26 -1.33 135.00 139.80 1kya s PRO 263 Ca 0.34 1.22 0.30 0.00 0.04 0.00 0.00 61.00 62.90 1kya s PRO 263 Cb -0.14 -2.04 1.27 0.00 0.04 0.00 0.00 34.50 33.64 1kya s PRO 263 CO 0.13 -0.78 1.96 -2.95 0.04 0.00 0.00 177.00 175.39 1kya h ASN 264 N 0.52 0.00 -5.08 6.66 -1.07 -1.83 -3.45 115.58 111.33 1kya h ASN 264 Ca -0.47 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 55.89 1kya h ASN 264 Cb 1.22 0.00 -0.09 0.00 -2.07 0.00 0.00 38.32 37.38 1kya h ASN 264 CO 0.58 0.10 0.05 0.72 0.07 0.00 0.00 177.43 178.95 1kya s PHE 265 N -3.76 -0.11 0.00 4.14 -0.12 -1.26 -5.05 117.98 111.83 1kya s PHE 265 Ca 0.00 -0.25 0.00 0.00 -0.05 0.00 0.00 56.93 56.63 1kya s PHE 265 Cb 0.10 0.43 0.00 0.00 -0.63 0.00 0.00 43.02 42.92 1kya s PHE 265 CO 0.58 -0.97 0.00 0.41 -0.05 0.00 0.00 175.22 175.19 1kya n GLY 266 N -0.36 0.81 3.41 1.99 0.00 -1.26 -4.47 105.19 105.30 1kya n GLY 266 Ca -0.09 -1.46 -0.45 0.00 0.00 0.00 0.00 46.02 44.02 1kya n GLY 266 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1kya s ASN 267 N -4.00 6.49 0.50 1.61 0.01 -1.25 -4.96 114.94 113.34 1kya s ASN 267 Ca 0.00 -1.90 -0.02 0.00 -0.71 0.00 0.00 52.86 50.24 1kya s ASN 267 Cb 0.00 -2.34 0.00 0.00 0.41 0.00 0.00 41.25 39.32 1kya s ASN 267 CO 0.00 -1.03 0.75 0.68 -1.51 0.00 0.00 177.10 175.99 1kya s VAL 268 N 2.38 3.89 0.00 1.60 -7.23 -1.26 -4.78 120.40 114.99 1kya s VAL 268 Ca 0.24 -0.33 0.00 0.00 -1.81 0.00 0.00 61.98 60.08 1kya s VAL 268 Cb -0.12 -3.47 0.00 0.00 0.56 0.00 0.00 36.38 33.35 1kya s VAL 268 CO -0.03 -0.38 0.00 0.61 -0.31 0.00 0.00 175.10 174.99 1kya n GLY 269 N -2.24 -2.07 0.29 2.32 0.00 -1.26 -4.80 105.19 97.42 1kya n GLY 269 Ca 0.02 -1.95 0.02 0.00 0.00 0.00 0.00 46.02 44.12 1kya n GLY 269 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1kya n PHE 270 N -0.03 0.00 -1.70 1.61 3.72 -1.26 -4.58 117.46 115.23 1kya n PHE 270 Ca 0.00 -0.24 -0.44 0.00 -0.05 0.00 0.00 57.45 56.73 1kya n PHE 270 Cb 0.00 -0.06 -0.04 0.00 -0.94 0.00 0.00 39.48 38.44 1kya n PHE 270 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1kya n THR 271 N -0.32 0.01 -0.96 4.37 -1.04 -1.26 -0.82 114.28 114.26 1kya n THR 271 Ca 0.03 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 1kya n THR 271 Cb 0.62 -1.79 0.00 0.00 -1.82 0.00 0.00 70.33 67.34 1kya n THR 271 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1kya n GLY 272 N 3.74 0.50 1.46 3.41 0.00 -1.26 -3.28 105.19 109.75 1kya n GLY 272 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1kya n GLY 272 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kya n GLY 273 N -1.97 0.64 3.64 -0.02 0.00 -0.00 -4.72 105.19 102.76 1kya n GLY 273 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1kya n GLY 273 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1kya s ILE 274 N -2.02 2.32 -1.25 -0.61 -4.36 -1.20 -3.23 121.20 110.84 1kya s ILE 274 Ca 0.00 0.10 -0.01 0.00 -0.26 0.00 0.00 60.65 60.49 1kya s ILE 274 Cb 0.00 -2.39 0.01 0.00 1.25 0.00 0.00 42.46 41.33 1kya s ILE 274 CO 0.00 -0.14 0.06 0.59 0.24 0.00 0.00 174.94 175.70 1kya n ASN 275 N -4.28 -4.42 -4.22 4.36 5.03 -1.26 -4.51 115.26 105.96 1kya n ASN 275 Ca 0.06 0.09 -0.13 0.00 0.87 0.00 0.00 54.58 55.48 1kya n ASN 275 Cb 0.55 -3.71 -0.10 0.00 -1.02 0.00 0.00 39.78 35.49 1kya n ASN 275 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 1kya s SER 276 N -2.11 0.94 0.34 6.41 0.01 -1.20 -1.57 113.70 116.53 1kya s SER 276 Ca 0.04 -1.21 -0.05 0.00 1.31 0.00 0.00 55.95 56.05 1kya s SER 276 Cb -0.02 0.18 0.01 0.00 0.21 0.00 0.00 66.02 66.40 1kya s SER 276 CO 0.05 -0.64 0.51 0.00 0.41 0.00 0.00 173.24 173.58 1kya s ALA 277 N -3.79 0.53 -0.10 1.44 0.00 0.20 -4.71 121.76 115.33 1kya s ALA 277 Ca 0.26 -1.39 0.03 0.00 0.00 0.00 0.00 51.96 50.85 1kya s ALA 277 Cb 0.07 1.09 0.01 0.00 0.00 0.00 0.00 23.12 24.29 1kya s ALA 277 CO 0.04 -0.82 -0.18 0.42 0.00 0.00 0.00 175.76 175.22 1kya s ILE 278 N -3.01 1.67 -0.40 0.00 1.01 -0.22 -1.23 121.20 119.02 1kya s ILE 278 Ca 0.28 -0.77 -0.17 0.00 0.00 0.00 0.00 60.65 59.99 1kya s ILE 278 Cb -0.01 -1.49 0.01 0.00 0.01 0.00 0.00 42.46 40.98 1kya s ILE 278 CO 0.19 0.47 0.44 -0.22 0.00 0.00 0.00 174.94 175.82 1kya s LEU 279 N 0.70 4.72 -0.25 2.97 2.96 0.23 0.74 118.68 130.76 1kya s LEU 279 Ca -0.12 -0.52 -0.00 0.00 -0.22 0.00 0.00 54.13 53.27 1kya s LEU 279 Cb -0.16 -2.41 0.04 0.00 0.50 0.00 0.00 46.19 44.16 1kya s LEU 279 CO 0.03 -0.54 -0.08 -0.60 -1.32 0.00 0.00 176.35 173.84 1kya s ARG 280 N 2.17 2.62 0.38 1.98 3.52 -0.16 -0.14 118.95 129.33 1kya s ARG 280 Ca 0.13 -1.11 -0.26 0.00 -0.13 0.00 0.00 55.73 54.36 1kya s ARG 280 Cb -0.17 -2.94 -0.09 0.00 -1.56 0.00 0.00 34.95 30.20 1kya s ARG 280 CO 0.13 -0.46 1.21 0.71 -0.81 0.00 0.00 175.30 176.09 1kya s TYR 281 N 1.25 3.06 0.24 5.12 1.51 -0.89 -2.66 117.35 124.98 1kya s TYR 281 Ca -0.03 1.52 -0.31 0.00 -1.01 0.00 0.00 57.07 57.24 1kya s TYR 281 Cb -0.18 -3.48 -0.13 0.00 -0.11 0.00 0.00 41.96 38.06 1kya s TYR 281 CO -0.05 -1.49 1.55 -0.25 -1.11 0.00 0.00 175.55 174.20 1kya n ASP 282 N 0.29 3.40 0.00 2.29 8.00 -0.59 -0.76 116.55 129.19 1kya n ASP 282 Ca 0.03 1.12 0.00 0.00 0.71 0.00 0.00 54.79 56.65 1kya n ASP 282 Cb 0.45 -1.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.04 1kya n ASP 282 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1kya n GLY 283 N 2.60 3.26 3.79 0.44 0.00 -1.26 -4.84 105.19 109.18 1kya n GLY 283 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 1kya n GLY 283 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kya s ALA 284 N -2.84 3.00 0.66 4.61 0.00 0.06 -4.99 121.76 122.27 1kya s ALA 284 Ca 0.00 0.64 -0.14 0.00 0.00 0.00 0.00 51.96 52.45 1kya s ALA 284 Cb 0.00 -3.25 -0.00 0.00 0.00 0.00 0.00 23.12 19.86 1kya s ALA 284 CO 0.00 -0.22 1.10 0.00 0.00 0.00 0.00 175.76 176.64 1kya s ALA 285 N -1.82 2.51 -1.16 0.00 0.00 -1.26 -4.92 121.76 115.10 1kya s ALA 285 Ca 0.62 0.47 -0.18 0.00 0.00 0.00 0.00 51.96 52.87 1kya s ALA 285 Cb -0.19 -3.29 0.10 0.00 0.00 0.00 0.00 23.12 19.74 1kya s ALA 285 CO 0.23 -1.24 1.51 0.00 0.00 0.00 0.00 175.76 176.27 1kya s ALA 286 N -2.44 3.35 0.20 0.00 0.00 -1.26 -4.88 121.76 116.73 1kya s ALA 286 Ca 0.65 -2.85 -0.05 0.00 0.00 0.00 0.00 51.96 49.71 1kya s ALA 286 Cb -0.19 -4.41 -0.03 0.00 0.00 0.00 0.00 23.12 18.49 1kya s ALA 286 CO 0.43 -3.20 0.24 0.14 0.00 0.00 0.00 175.76 173.36 1kya s VAL 287 N 3.54 0.02 0.53 0.00 -7.23 -1.26 -5.15 120.40 110.86 1kya s VAL 287 Ca 0.46 -1.73 -0.18 0.00 -1.81 0.00 0.00 61.98 58.73 1kya s VAL 287 Cb 0.00 -2.26 -0.07 0.00 0.56 0.00 0.00 36.38 34.62 1kya s VAL 287 CO -0.01 -0.10 1.03 -1.61 -0.31 0.00 0.00 175.10 174.09 1kya s GLU 288 N -4.08 3.67 1.00 4.82 2.02 -1.26 -4.96 118.70 119.92 1kya s GLU 288 Ca 0.29 1.17 -0.14 0.00 0.02 0.00 0.00 54.97 56.32 1kya s GLU 288 Cb 0.04 -2.09 0.19 0.00 0.10 0.00 0.00 34.13 32.38 1kya s GLU 288 CO 0.08 -0.51 1.13 -2.14 0.02 0.00 0.00 175.26 173.84 1kya s PRO 289 N -3.79 0.42 0.00 0.39 0.02 -1.26 -4.97 135.00 125.81 1kya s PRO 289 Ca 0.63 0.23 0.00 0.00 0.02 0.00 0.00 61.00 61.88 1kya s PRO 289 Cb -0.14 -1.76 0.00 0.00 0.02 0.00 0.00 34.50 32.62 1kya s PRO 289 CO 0.29 -2.67 0.68 0.25 -0.33 0.00 0.00 177.00 175.22 1kya n THR 290 N -4.08 0.00 -2.14 0.99 -2.24 -1.26 -4.99 114.28 100.55 1kya n THR 290 Ca 0.08 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.52 1kya n THR 290 Cb 0.59 0.54 0.01 0.00 -2.10 0.00 0.00 70.33 69.36 1kya n THR 290 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1kya s THR 291 N 0.00 3.30 0.05 4.28 -4.23 -1.26 -5.03 115.64 112.75 1kya s THR 291 Ca 0.00 0.74 0.02 0.00 -1.18 0.00 0.00 61.69 61.27 1kya s THR 291 Cb 0.00 -3.27 -0.04 0.00 1.34 0.00 0.00 72.50 70.54 1kya s THR 291 CO 0.00 -0.24 0.09 0.42 -0.54 0.00 0.00 174.62 174.35 1kya s THR 292 N -1.99 4.69 0.18 3.99 -4.23 -1.26 -4.82 115.64 112.20 1kya s THR 292 Ca 0.70 -0.63 -0.30 0.00 -1.18 0.00 0.00 61.69 60.28 1kya s THR 292 Cb -0.22 -3.23 -0.08 0.00 1.34 0.00 0.00 72.50 70.32 1kya s THR 292 CO 0.31 0.19 1.03 -1.58 -0.54 0.00 0.00 174.62 174.03 1kya s GLN 293 N -2.23 4.68 0.34 3.99 0.74 -1.26 -4.75 119.66 121.17 1kya s GLN 293 Ca 0.28 1.61 0.08 0.00 0.05 0.00 0.00 55.36 57.39 1kya s GLN 293 Cb -0.12 -3.29 -0.04 0.00 1.10 0.00 0.00 33.01 30.65 1kya s GLN 293 CO 0.21 0.21 0.14 0.95 -0.55 0.00 0.00 175.29 176.25 1kya s THR 294 N -0.46 2.97 0.36 -0.34 -4.23 -1.26 -5.09 115.64 107.58 1kya s THR 294 Ca 0.47 -1.70 -0.28 0.00 -1.18 0.00 0.00 61.69 59.00 1kya s THR 294 Cb -0.27 -2.97 -0.10 0.00 1.34 0.00 0.00 72.50 70.49 1kya s THR 294 CO 0.34 -0.17 1.37 -0.89 -0.54 0.00 0.00 174.62 174.72 1kya s THR 295 N -2.44 2.48 -0.23 3.99 2.01 -1.26 -4.96 115.64 115.23 1kya s THR 295 Ca 0.38 0.47 -0.27 0.00 0.31 0.00 0.00 61.69 62.59 1kya s THR 295 Cb -0.02 -3.30 0.00 0.00 0.01 0.00 0.00 72.50 69.19 1kya s THR 295 CO 0.23 0.11 0.92 -0.55 -0.69 0.00 0.00 174.62 174.64 1kya s SER 296 N -0.41 6.96 0.00 3.53 0.15 -1.26 -4.90 113.70 117.76 1kya s SER 296 Ca 0.51 1.19 0.13 0.00 0.70 0.00 0.00 55.95 58.49 1kya s SER 296 Cb -0.42 -2.48 0.02 0.00 -1.71 0.00 0.00 66.02 61.43 1kya s SER 296 CO 0.56 -0.58 0.79 0.35 1.20 0.00 0.00 173.24 175.55 1kya n THR 297 N 5.27 0.00 -2.87 6.45 -2.24 -1.26 -4.63 114.28 115.01 1kya n THR 297 Ca 0.08 -0.39 -0.14 0.00 -2.27 0.00 0.00 64.05 61.33 1kya n THR 297 Cb 0.47 1.18 0.00 0.00 -2.10 0.00 0.00 70.33 69.88 1kya n THR 297 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kya n ALA 298 N 0.00 3.00 -1.71 6.98 0.00 -1.26 -5.01 120.51 122.51 1kya n ALA 298 Ca 0.06 -3.35 -0.39 0.00 0.00 0.00 0.00 53.44 49.75 1kya n ALA 298 Cb 0.29 -0.91 0.03 0.00 0.00 0.00 0.00 19.45 18.86 1kya n ALA 298 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1kya n PRO 299 N 0.04 1.73 -2.14 0.00 -0.02 -1.26 -0.30 135.00 133.05 1kya n PRO 299 Ca 0.18 0.63 -0.41 0.00 -2.02 0.00 0.00 63.50 61.88 1kya n PRO 299 Cb 0.73 -2.46 -0.02 0.00 -0.02 0.00 0.00 33.50 31.73 1kya n PRO 299 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1kya s LEU 300 N -2.57 4.43 -0.13 2.45 2.96 -0.49 -4.85 118.68 120.49 1kya s LEU 300 Ca 0.67 2.64 -0.02 0.00 -0.22 0.00 0.00 54.13 57.21 1kya s LEU 300 Cb -0.45 -3.64 0.04 0.00 0.50 0.00 0.00 46.19 42.64 1kya s LEU 300 CO 0.53 -0.52 0.01 0.21 -1.32 0.00 0.00 176.35 175.26 1kya s ASN 301 N -0.40 2.25 0.35 3.68 3.84 -1.26 -4.78 114.94 118.62 1kya s ASN 301 Ca 0.50 -0.44 0.17 0.00 0.21 0.00 0.00 52.86 53.30 1kya s ASN 301 Cb -0.39 -0.56 1.20 0.00 -0.55 0.00 0.00 41.25 40.96 1kya s ASN 301 CO 0.51 -0.24 1.61 -0.08 -2.79 0.00 0.00 177.10 176.11 1kya h GLU 302 N 8.27 0.11 -0.17 0.43 4.81 -1.94 0.93 114.58 127.02 1kya h GLU 302 Ca -0.19 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.08 1kya h GLU 302 Cb 1.12 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 1kya h GLU 302 CO 0.31 0.08 0.24 0.28 -0.73 0.00 0.00 179.01 179.18 1kya h VAL 303 N 0.12 0.35 -0.01 0.32 2.07 -1.95 0.11 116.25 117.27 1kya h VAL 303 Ca 0.79 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.31 1kya h VAL 303 Cb 1.96 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 32.53 1kya h VAL 303 CO -0.72 0.00 -0.12 0.59 0.02 0.00 0.00 177.57 177.34 1kya n ASN 304 N -3.61 0.82 -4.71 0.57 3.02 0.32 -4.86 115.26 106.82 1kya n ASN 304 Ca 0.01 -0.91 -0.39 0.00 -0.03 0.00 0.00 54.58 53.26 1kya n ASN 304 Cb 0.35 0.01 -0.05 0.00 -0.61 0.00 0.00 39.78 39.48 1kya n ASN 304 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1kya s LEU 305 N -2.34 4.30 0.02 3.41 1.43 0.39 -5.00 118.68 120.89 1kya s LEU 305 Ca 0.31 1.08 0.02 0.00 -1.03 0.00 0.00 54.13 54.51 1kya s LEU 305 Cb 0.20 -2.98 -0.01 0.00 0.03 0.00 0.00 46.19 43.43 1kya s LEU 305 CO 0.45 -0.10 -0.07 -1.00 0.23 0.00 0.00 176.35 175.86 1kya s HIS 306 N 0.82 0.62 0.49 0.29 3.76 -1.26 -3.25 115.29 116.77 1kya s HIS 306 Ca 0.34 -0.28 -0.23 0.00 -0.15 0.00 0.00 55.06 54.74 1kya s HIS 306 Cb -0.17 -0.38 -0.08 0.00 1.11 0.00 0.00 32.58 33.06 1kya s HIS 306 CO 0.16 -0.04 1.16 -2.30 -0.85 0.00 0.00 174.74 172.87 1kya n PRO 307 N 2.25 1.52 -0.16 8.40 -0.02 -1.26 -0.25 135.00 145.48 1kya n PRO 307 Ca -0.17 0.55 -0.10 0.00 -2.02 0.00 0.00 63.50 61.76 1kya n PRO 307 Cb 0.56 -2.31 -0.00 0.00 -0.02 0.00 0.00 33.50 31.73 1kya n PRO 307 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1kya h LEU 308 N 1.45 0.77 -9.55 2.45 5.85 -0.87 -3.36 115.31 112.05 1kya h LEU 308 Ca -0.48 -0.30 -0.66 0.00 0.84 0.00 0.00 57.88 57.28 1kya h LEU 308 Cb 1.32 -0.21 -0.09 0.00 0.37 0.00 0.00 40.66 42.06 1kya h LEU 308 CO 0.56 0.88 -0.50 -0.69 -0.34 0.00 0.00 178.44 178.36 1kya s VAL 309 N -5.04 5.35 -0.03 1.05 1.01 -1.26 -4.82 120.40 116.65 1kya s VAL 309 Ca -0.13 0.15 -0.35 0.00 0.00 0.00 0.00 61.98 61.66 1kya s VAL 309 Cb 0.11 -3.34 -0.13 0.00 0.00 0.00 0.00 36.38 33.02 1kya s VAL 309 CO 0.81 0.60 1.77 0.00 0.00 0.00 0.00 175.10 178.28 1kya n ALA 310 N 2.19 0.86 -3.74 5.51 0.00 -1.26 -4.94 120.51 119.13 1kya n ALA 310 Ca -0.19 0.34 -0.27 0.00 0.00 0.00 0.00 53.44 53.32 1kya n ALA 310 Cb 0.54 -2.43 -0.17 0.00 0.00 0.00 0.00 19.45 17.40 1kya n ALA 310 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1kya s THR 311 N 3.09 0.46 0.29 0.00 2.01 -1.26 -5.12 115.64 115.10 1kya s THR 311 Ca 0.89 -0.39 -0.29 0.00 0.31 0.00 0.00 61.69 62.21 1kya s THR 311 Cb -0.72 -0.90 -0.10 0.00 0.01 0.00 0.00 72.50 70.78 1kya s THR 311 CO 0.49 -0.11 1.46 0.00 -0.69 0.00 0.00 174.62 175.76 1kya s ALA 312 N 1.90 3.62 -0.04 7.40 0.00 -1.26 -4.91 121.76 128.47 1kya s ALA 312 Ca 0.01 1.41 -0.30 0.00 0.00 0.00 0.00 51.96 53.07 1kya s ALA 312 Cb -0.16 -3.57 -0.03 0.00 0.00 0.00 0.00 23.12 19.35 1kya s ALA 312 CO -0.07 -0.82 1.17 0.08 0.00 0.00 0.00 175.76 176.11 1kya s VAL 313 N -0.35 4.31 0.56 0.00 1.01 -1.26 -4.98 120.40 119.69 1kya s VAL 313 Ca 0.58 1.64 -0.21 0.00 0.00 0.00 0.00 61.98 63.99 1kya s VAL 313 Cb -0.43 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 31.84 1kya s VAL 313 CO 0.49 0.03 1.22 -0.81 0.00 0.00 0.00 175.10 176.02 1kya n PRO 314 N 4.87 1.39 0.00 2.72 -0.04 -1.26 -4.71 135.00 137.97 1kya n PRO 314 Ca 0.10 0.52 0.00 0.00 -0.04 0.00 0.00 63.50 64.08 1kya n PRO 314 Cb 0.47 -2.41 0.00 0.00 -0.04 0.00 0.00 33.50 31.52 1kya n PRO 314 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1kya n GLY 315 N 0.95 -0.73 3.43 0.55 0.00 -1.26 -4.93 105.19 103.19 1kya n GLY 315 Ca 0.12 -1.43 -0.30 0.00 0.00 0.00 0.00 46.02 44.41 1kya n GLY 315 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kya s SER 316 N -4.00 3.57 -0.07 1.61 0.01 0.18 -5.02 113.70 109.98 1kya s SER 316 Ca 0.00 -0.58 -0.01 0.00 1.31 0.00 0.00 55.95 56.67 1kya s SER 316 Cb 0.00 -0.43 -0.04 0.00 0.21 0.00 0.00 66.02 65.77 1kya s SER 316 CO 0.00 0.22 1.10 -0.81 0.41 0.00 0.00 173.24 174.15 1kya n PRO 317 N 1.22 0.40 -3.72 12.44 -0.04 -1.26 -4.35 135.00 139.69 1kya n PRO 317 Ca -0.17 -0.33 -0.13 0.00 -0.04 0.00 0.00 63.50 62.83 1kya n PRO 317 Cb 0.52 -1.73 -0.08 0.00 -0.04 0.00 0.00 33.50 32.18 1kya n PRO 317 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1kya s VAL 318 N 3.18 0.06 0.26 0.52 1.01 -1.26 -5.03 120.40 119.13 1kya s VAL 318 Ca 0.11 -0.46 -0.31 0.00 0.00 0.00 0.00 61.98 61.32 1kya s VAL 318 Cb 0.05 -0.78 -0.12 0.00 0.00 0.00 0.00 36.38 35.53 1kya s VAL 318 CO -0.00 -0.26 1.64 0.00 0.00 0.00 0.00 175.10 176.49 1kya n ALA 319 N 0.96 2.63 -0.32 5.51 0.00 -1.26 -0.87 120.51 127.16 1kya n ALA 319 Ca -0.20 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1kya n ALA 319 Cb 0.57 -2.48 0.00 0.00 0.00 0.00 0.00 19.45 17.54 1kya n ALA 319 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kya n GLY 320 N 2.88 1.28 2.97 0.00 0.00 -1.26 -4.85 105.19 106.21 1kya n GLY 320 Ca 0.12 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.96 1kya n GLY 320 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kya n GLY 321 N -2.00 2.02 3.40 -0.02 0.00 -0.05 -4.68 105.19 103.85 1kya n GLY 321 Ca 0.00 -0.51 -0.10 0.00 0.00 0.00 0.00 46.02 45.41 1kya n GLY 321 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kya s VAL 322 N 4.81 0.04 0.01 1.61 0.11 -1.26 0.48 120.40 126.20 1kya s VAL 322 Ca 0.27 -1.44 -0.25 0.00 -2.93 0.00 0.00 61.98 57.63 1kya s VAL 322 Cb 0.07 -2.01 -0.18 0.00 -1.53 0.00 0.00 36.38 32.73 1kya s VAL 322 CO 0.05 -0.18 1.39 0.44 -3.33 0.00 0.00 175.10 173.48 1kya h ASP 323 N 2.46 -0.05 -3.24 3.54 3.32 -1.69 -3.43 116.42 117.33 1kya h ASP 323 Ca -0.31 -0.31 -0.49 0.00 0.02 0.00 0.00 57.03 55.94 1kya h ASP 323 Cb 1.24 0.01 -0.37 0.00 0.22 0.00 0.00 39.33 40.43 1kya h ASP 323 CO 0.45 0.29 -0.79 -0.22 -1.72 0.00 0.00 179.24 177.25 1kya s LEU 324 N -9.52 1.02 -0.09 1.55 0.20 -0.91 -5.01 118.68 105.92 1kya s LEU 324 Ca -0.15 -0.21 0.03 0.00 0.69 0.00 0.00 54.13 54.48 1kya s LEU 324 Cb 0.03 -0.68 -0.02 0.00 -0.43 0.00 0.00 46.19 45.10 1kya s LEU 324 CO 0.65 -0.13 -0.17 0.00 -0.29 0.00 0.00 176.35 176.41 1kya s ALA 325 N 1.67 2.49 -0.02 5.97 0.00 -1.26 -2.01 121.76 128.60 1kya s ALA 325 Ca 0.03 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 51.04 1kya s ALA 325 Cb -0.13 -0.98 0.01 0.00 0.00 0.00 0.00 23.12 22.02 1kya s ALA 325 CO -0.06 0.39 -0.06 0.42 0.00 0.00 0.00 175.76 176.45 1kya s ILE 326 N -0.11 0.56 -0.15 0.00 1.01 0.01 -4.98 121.20 117.54 1kya s ILE 326 Ca -0.03 -0.23 -0.04 0.00 0.00 0.00 0.00 60.65 60.35 1kya s ILE 326 Cb -0.14 -0.52 -0.03 0.00 0.01 0.00 0.00 42.46 41.78 1kya s ILE 326 CO 0.04 0.19 -0.02 0.21 0.00 0.00 0.00 174.94 175.36 1kya s ASN 327 N 0.30 4.95 -0.67 3.58 3.84 -1.26 -1.64 114.94 124.03 1kya s ASN 327 Ca -0.04 -0.06 -0.16 0.00 0.21 0.00 0.00 52.86 52.81 1kya s ASN 327 Cb -0.08 -1.74 0.15 0.00 -0.55 0.00 0.00 41.25 39.03 1kya s ASN 327 CO 0.00 0.20 0.67 -0.04 -2.79 0.00 0.00 177.10 175.15 1kya s MET 328 N 0.16 3.24 -0.24 0.43 -1.94 0.17 -4.92 119.30 116.20 1kya s MET 328 Ca -0.00 -1.87 -0.26 0.00 -1.71 0.00 0.00 55.69 51.85 1kya s MET 328 Cb -0.13 -4.38 -0.00 0.00 2.01 0.00 0.00 34.83 32.33 1kya s MET 328 CO 0.02 -1.39 0.89 0.00 -0.01 0.00 0.00 175.02 174.53 1kya s ALA 329 N 1.46 3.66 0.28 3.03 0.00 -1.26 -4.08 121.76 124.84 1kya s ALA 329 Ca 0.12 -0.03 -0.25 0.00 0.00 0.00 0.00 51.96 51.79 1kya s ALA 329 Cb -0.21 -3.37 -0.09 0.00 0.00 0.00 0.00 23.12 19.45 1kya s ALA 329 CO -0.01 -0.96 0.88 -0.06 0.00 0.00 0.00 175.76 175.61 1kya s PHE 330 N 2.94 3.74 0.18 0.00 0.08 -1.26 -0.55 117.98 123.10 1kya s PHE 330 Ca 0.38 1.69 -0.19 0.00 0.12 0.00 0.00 56.93 58.93 1kya s PHE 330 Cb -0.15 -2.84 0.04 0.00 -0.57 0.00 0.00 43.02 39.49 1kya s PHE 330 CO 0.07 0.30 0.53 1.21 -0.10 0.00 0.00 175.22 177.23 1kya s ASN 331 N -1.53 -0.33 -0.20 1.36 3.04 -0.32 -4.65 114.94 112.31 1kya s ASN 331 Ca 0.46 -0.34 -0.11 0.00 0.04 0.00 0.00 52.86 52.90 1kya s ASN 331 Cb -0.19 0.57 0.06 0.00 -1.54 0.00 0.00 41.25 40.15 1kya s ASN 331 CO 0.24 -1.01 0.48 0.12 -3.04 0.00 0.00 177.10 173.89 1kya s PHE 332 N -3.83 -0.70 -0.27 0.43 5.36 -0.85 0.04 117.98 118.16 1kya s PHE 332 Ca 0.06 1.48 0.08 0.00 -0.96 0.00 0.00 56.93 57.60 1kya s PHE 332 Cb -0.01 0.34 0.45 0.00 -0.34 0.00 0.00 43.02 43.47 1kya s PHE 332 CO -0.06 -0.38 1.20 0.27 -1.46 0.00 0.00 175.22 174.78 1kya n ASN 333 N 4.16 4.14 0.00 6.13 0.23 -1.04 -4.92 115.26 123.97 1kya n ASN 333 Ca -0.22 -3.77 0.00 0.00 -0.53 0.00 0.00 54.58 50.07 1kya n ASN 333 Cb 0.56 -0.39 0.00 0.00 -2.08 0.00 0.00 39.78 37.88 1kya n ASN 333 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1kya n GLY 334 N -0.80 1.65 0.11 4.83 0.00 -1.26 -4.65 105.19 105.07 1kya n GLY 334 Ca 0.38 -0.68 0.12 0.00 0.00 0.00 0.00 46.02 45.84 1kya n GLY 334 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1kya h THR 335 N 0.00 0.00 -3.88 2.61 1.35 -1.98 -3.47 112.91 107.54 1kya h THR 335 Ca 0.00 -0.74 -0.29 0.00 -0.55 0.00 0.00 66.41 64.84 1kya h THR 335 Cb 0.00 1.40 -0.27 0.00 -1.73 0.00 0.00 68.15 67.55 1kya h THR 335 CO 0.00 0.00 -0.74 0.20 -0.25 0.00 0.00 175.52 174.73 1kya s ASN 336 N -4.94 0.49 0.26 5.36 0.01 -1.26 -4.84 114.94 110.02 1kya s ASN 336 Ca 0.05 -0.17 -0.03 0.00 -0.71 0.00 0.00 52.86 51.99 1kya s ASN 336 Cb 0.11 -0.03 -0.05 0.00 0.41 0.00 0.00 41.25 41.69 1kya s ASN 336 CO 0.72 -0.01 0.49 -0.36 -1.51 0.00 0.00 177.10 176.43 1kya s PHE 337 N -0.37 3.48 0.03 2.20 0.08 0.08 -2.49 117.98 120.99 1kya s PHE 337 Ca -0.01 0.53 0.02 0.00 0.12 0.00 0.00 56.93 57.58 1kya s PHE 337 Cb -0.03 -2.01 -0.02 0.00 -0.57 0.00 0.00 43.02 40.39 1kya s PHE 337 CO -0.00 0.25 -0.06 -0.06 -0.10 0.00 0.00 175.22 175.24 1kya s PHE 338 N -2.01 0.55 -0.16 0.36 0.08 0.11 -4.18 117.98 112.73 1kya s PHE 338 Ca 0.42 -0.45 -0.03 0.00 0.12 0.00 0.00 56.93 56.99 1kya s PHE 338 Cb -0.11 -0.34 0.05 0.00 -0.57 0.00 0.00 43.02 42.06 1kya s PHE 338 CO 0.30 -0.10 0.04 0.42 -0.10 0.00 0.00 175.22 175.78 1kya s ILE 339 N -1.24 0.33 -1.28 0.64 1.01 0.14 -1.17 121.20 119.63 1kya s ILE 339 Ca -0.10 -0.29 -0.02 0.00 0.00 0.00 0.00 60.65 60.24 1kya s ILE 339 Cb -0.09 -0.79 0.01 0.00 0.01 0.00 0.00 42.46 41.60 1kya s ILE 339 CO 0.00 -0.12 0.94 0.59 0.00 0.00 0.00 174.94 176.35 1kya n ASN 340 N 5.13 -2.59 -0.14 3.58 5.03 0.28 -2.08 115.26 124.48 1kya n ASN 340 Ca -0.08 -0.68 -0.02 0.00 0.87 0.00 0.00 54.58 54.67 1kya n ASN 340 Cb 0.48 -4.71 -0.01 0.00 -1.02 0.00 0.00 39.78 34.53 1kya n ASN 340 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1kya n GLY 341 N -1.43 0.42 3.18 7.41 0.00 -1.26 -5.00 105.19 108.51 1kya n GLY 341 Ca -0.23 -0.10 -0.25 0.00 0.00 0.00 0.00 46.02 45.45 1kya n GLY 341 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kya s ALA 342 N -1.66 1.49 -0.28 4.61 0.00 -0.88 -5.08 121.76 119.95 1kya s ALA 342 Ca 0.00 -0.82 -0.01 0.00 0.00 0.00 0.00 51.96 51.13 1kya s ALA 342 Cb 0.00 -0.35 0.04 0.00 0.00 0.00 0.00 23.12 22.81 1kya s ALA 342 CO 0.00 0.35 -0.03 0.45 0.00 0.00 0.00 175.76 176.53 1kya s SER 343 N -0.62 4.63 0.39 0.00 0.15 -1.26 0.29 113.70 117.28 1kya s SER 343 Ca 0.06 -1.14 -0.26 0.00 0.70 0.00 0.00 55.95 55.32 1kya s SER 343 Cb -0.07 -1.68 -0.11 0.00 -1.71 0.00 0.00 66.02 62.45 1kya s SER 343 CO -0.00 -0.20 1.20 0.33 1.20 0.00 0.00 173.24 175.76 1kya n PHE 344 N 4.62 1.89 -3.58 3.44 7.35 -0.07 -4.94 117.46 126.17 1kya n PHE 344 Ca -0.14 0.54 -0.09 0.00 -0.76 0.00 0.00 57.45 57.00 1kya n PHE 344 Cb 0.45 -2.34 -0.09 0.00 0.35 0.00 0.00 39.48 37.84 1kya n PHE 344 CO 0.00 0.00 0.00 -0.08 -0.76 0.00 0.00 176.76 175.92 1kya s THR 345 N -1.18 -0.62 -0.14 -2.13 -1.32 -1.26 -3.93 115.64 105.06 1kya s THR 345 Ca 0.60 0.12 -0.41 0.00 -1.21 0.00 0.00 61.69 60.79 1kya s THR 345 Cb -0.55 -0.68 -0.19 0.00 -1.51 0.00 0.00 72.50 69.57 1kya s THR 345 CO 0.59 0.03 1.31 -2.65 -2.21 0.00 0.00 174.62 171.69 1kya n PRO 346 N 5.38 0.29 -2.08 7.08 -0.02 -1.26 -4.58 135.00 139.82 1kya n PRO 346 Ca -0.07 0.11 -0.31 0.00 -2.02 0.00 0.00 63.50 61.21 1kya n PRO 346 Cb 0.50 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 32.33 1kya n PRO 346 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1kya s PRO 347 N 1.19 3.64 0.21 0.52 0.04 -1.26 -4.98 135.00 134.36 1kya s PRO 347 Ca 0.94 0.68 -0.01 0.00 0.04 0.00 0.00 61.00 62.66 1kya s PRO 347 Cb -1.26 -2.14 0.18 0.00 0.04 0.00 0.00 34.50 31.32 1kya s PRO 347 CO 0.63 -0.46 1.55 1.79 0.04 0.00 0.00 177.00 180.54 1kya h THR 348 N -0.06 1.33 -3.81 1.26 1.35 -1.93 -3.41 112.91 107.64 1kya h THR 348 Ca -0.45 -1.77 -0.64 0.00 -0.55 0.00 0.00 66.41 63.01 1kya h THR 348 Cb 1.19 1.77 -0.17 0.00 -1.73 0.00 0.00 68.15 69.21 1kya h THR 348 CO 0.62 0.54 -0.53 -0.69 -0.25 0.00 0.00 175.52 175.21 1kya s VAL 349 N -4.01 5.20 0.42 6.82 1.01 -1.26 -5.02 120.40 123.56 1kya s VAL 349 Ca -0.06 0.13 -0.25 0.00 0.00 0.00 0.00 61.98 61.80 1kya s VAL 349 Cb 0.12 -3.46 -0.10 0.00 0.00 0.00 0.00 36.38 32.94 1kya s VAL 349 CO 0.82 0.28 1.18 -0.81 0.00 0.00 0.00 175.10 176.58 1kya n PRO 350 N 4.90 1.71 -0.26 2.72 -0.04 -1.26 -4.69 135.00 138.09 1kya n PRO 350 Ca -0.14 0.61 0.16 0.00 -0.04 0.00 0.00 63.50 64.08 1kya n PRO 350 Cb 0.52 -2.27 0.44 0.00 -0.04 0.00 0.00 33.50 32.16 1kya n PRO 350 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1kya h VAL 351 N 1.87 0.74 -0.57 0.52 2.07 -1.17 0.14 116.25 119.84 1kya h VAL 351 Ca -0.47 -0.19 -0.06 0.00 0.82 0.00 0.00 66.70 66.80 1kya h VAL 351 Cb 1.31 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1kya h VAL 351 CO 0.59 0.10 0.11 0.25 0.02 0.00 0.00 177.57 178.64 1kya h LEU 352 N 0.54 0.89 -0.64 2.57 6.46 -1.29 -2.19 115.31 121.66 1kya h LEU 352 Ca 0.47 -0.25 -0.12 0.00 -0.12 0.00 0.00 57.88 57.85 1kya h LEU 352 Cb 0.97 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.65 1kya h LEU 352 CO -0.21 0.91 -0.28 0.25 -0.62 0.00 0.00 178.44 178.49 1kya h LEU 353 N 0.83 0.79 -0.28 2.25 5.85 -1.34 -1.21 115.31 122.20 1kya h LEU 353 Ca 0.18 -0.31 0.03 0.00 0.84 0.00 0.00 57.88 58.62 1kya h LEU 353 Cb 0.39 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 1kya h LEU 353 CO 0.01 1.02 0.08 1.56 -0.34 0.00 0.00 178.44 180.77 1kya h GLN 354 N 0.65 0.19 -0.55 1.25 4.20 -0.78 0.15 115.11 120.24 1kya h GLN 354 Ca 0.08 -0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.70 1kya h GLN 354 Cb 0.80 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.52 1kya h GLN 354 CO 0.07 0.13 0.03 0.82 -0.67 0.00 0.00 178.83 179.20 1kya h ILE 355 N 0.20 1.26 -0.10 2.54 2.04 -1.23 -0.78 117.51 121.44 1kya h ILE 355 Ca 0.12 -1.07 -0.06 0.00 1.00 0.00 0.00 64.86 64.86 1kya h ILE 355 Cb 0.10 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 1kya h ILE 355 CO -0.14 0.38 -0.21 0.40 0.00 0.00 0.00 178.15 178.58 1kya h ILE 356 N 0.83 1.20 -0.00 -0.67 2.04 -0.87 -2.29 117.51 117.75 1kya h ILE 356 Ca 0.16 -0.92 0.00 0.00 1.00 0.00 0.00 64.86 65.10 1kya h ILE 356 Cb 0.50 1.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.94 1kya h ILE 356 CO 0.02 0.28 -0.01 -1.20 0.00 0.00 0.00 178.15 177.24 1kya n SER 357 N -4.22 0.11 0.00 1.72 7.64 0.50 -4.87 113.62 114.49 1kya n SER 357 Ca -0.01 -0.59 0.00 0.00 1.01 0.00 0.00 58.87 59.28 1kya n SER 357 Cb 0.31 -0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 1kya n SER 357 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1kya n GLY 358 N 1.17 1.11 3.66 0.23 0.00 -0.86 -5.06 105.19 105.44 1kya n GLY 358 Ca 0.18 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.65 1kya n GLY 358 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kya n ALA 359 N 0.00 -0.59 0.13 4.61 0.00 -0.33 -4.87 120.51 119.46 1kya n ALA 359 Ca 0.00 0.45 0.09 0.00 0.00 0.00 0.00 53.44 53.98 1kya n ALA 359 Cb 0.00 -2.15 -0.13 0.00 0.00 0.00 0.00 19.45 17.16 1kya n ALA 359 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1kya n GLN 360 N 4.07 0.65 -3.22 0.00 7.27 -1.26 -4.68 117.38 120.22 1kya n GLN 360 Ca 0.23 -0.14 -0.05 0.00 0.07 0.00 0.00 57.00 57.11 1kya n GLN 360 Cb 0.15 -1.42 0.02 0.00 2.41 0.00 0.00 30.24 31.41 1kya n GLN 360 CO 0.00 0.00 0.00 0.27 0.07 0.00 0.00 177.06 177.40 1kya n ASN 361 N -2.01 -1.64 -0.30 1.69 6.94 -1.26 -4.92 115.26 113.75 1kya n ASN 361 Ca -0.02 -2.05 -0.03 0.00 -0.02 0.00 0.00 54.58 52.46 1kya n ASN 361 Cb 0.44 2.71 0.09 0.00 -2.36 0.00 0.00 39.78 40.67 1kya n ASN 361 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1kya h ALA 362 N 2.00 1.08 -0.86 -2.53 0.00 -1.93 -2.24 119.26 114.78 1kya h ALA 362 Ca -0.24 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 54.70 1kya h ALA 362 Cb 0.95 -0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.38 1kya h ALA 362 CO 0.32 0.41 0.56 -0.56 0.00 0.00 0.00 179.25 179.97 1kya h GLN 363 N 1.08 0.87 0.02 0.00 -0.00 -1.96 -2.95 115.11 112.17 1kya h GLN 363 Ca 0.32 -0.05 -0.00 0.00 -0.00 0.00 0.00 58.65 58.92 1kya h GLN 363 Cb -0.05 -0.20 0.00 0.00 -0.00 0.00 0.00 27.48 27.23 1kya h GLN 363 CO -0.09 0.57 -0.01 -0.44 -0.00 0.00 0.00 178.83 178.86 1kya h ASP 364 N 0.89 -0.03 -2.22 0.06 3.32 -1.85 -3.46 116.42 113.13 1kya h ASP 364 Ca 0.39 -0.70 -0.62 0.00 0.02 0.00 0.00 57.03 56.12 1kya h ASP 364 Cb 0.33 0.01 0.09 0.00 0.22 0.00 0.00 39.33 39.97 1kya h ASP 364 CO -0.15 0.72 0.31 0.18 -1.72 0.00 0.00 179.24 178.58 1kya n LEU 365 N -4.74 1.94 -4.65 1.55 4.77 -0.89 -4.96 117.00 110.02 1kya n LEU 365 Ca -0.09 1.15 -0.30 0.00 -0.03 0.00 0.00 56.01 56.75 1kya n LEU 365 Cb 0.35 -1.28 -0.09 0.00 -2.33 0.00 0.00 43.42 40.08 1kya n LEU 365 CO 0.31 -1.14 -0.37 -0.76 -1.33 0.00 0.00 177.39 174.10 1kya s LEU 366 N 0.48 3.30 0.47 2.23 1.43 -1.26 -4.01 118.68 121.31 1kya s LEU 366 Ca 0.69 -0.27 -0.21 0.00 -1.03 0.00 0.00 54.13 53.30 1kya s LEU 366 Cb -0.77 -2.05 -0.08 0.00 0.03 0.00 0.00 46.19 43.32 1kya s LEU 366 CO 0.53 0.17 1.06 -2.16 0.23 0.00 0.00 176.35 176.18 1kya s PRO 367 N -2.33 3.86 0.35 1.29 0.04 -1.26 -4.72 135.00 132.22 1kya s PRO 367 Ca 0.24 1.44 -0.28 0.00 0.04 0.00 0.00 61.00 62.45 1kya s PRO 367 Cb -0.11 -2.22 -0.10 0.00 0.04 0.00 0.00 34.50 32.11 1kya s PRO 367 CO 0.17 -0.40 1.26 0.45 0.04 0.00 0.00 177.00 178.52 1kya s SER 368 N -1.82 6.69 0.00 6.66 0.15 -1.26 -2.89 113.70 121.23 1kya s SER 368 Ca 0.65 2.59 0.00 0.00 0.70 0.00 0.00 55.95 59.89 1kya s SER 368 Cb -0.19 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.48 1kya s SER 368 CO 0.23 -0.58 0.00 0.61 1.20 0.00 0.00 173.24 174.70 1kya n GLY 369 N 0.79 1.91 0.31 9.45 0.00 -1.26 -4.82 105.19 111.56 1kya n GLY 369 Ca 0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.07 1kya n GLY 369 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1kya n SER 370 N 0.00 1.68 -4.36 1.61 7.64 -1.14 -4.71 113.62 114.33 1kya n SER 370 Ca 0.00 -1.35 -0.32 0.00 1.01 0.00 0.00 58.87 58.21 1kya n SER 370 Cb 0.00 -0.01 -0.15 0.00 -1.01 0.00 0.00 64.21 63.04 1kya n SER 370 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1kya s VAL 371 N -0.64 2.71 -0.03 0.44 1.01 -1.25 -0.20 120.40 122.43 1kya s VAL 371 Ca 0.09 -0.82 0.07 0.00 0.00 0.00 0.00 61.98 61.33 1kya s VAL 371 Cb 0.06 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 34.36 1kya s VAL 371 CO 0.09 0.56 -0.24 -0.31 0.00 0.00 0.00 175.10 175.20 1kya s TYR 372 N -0.08 2.22 0.10 5.22 1.51 -0.29 -4.87 117.35 121.16 1kya s TYR 372 Ca -0.04 -0.48 -0.23 0.00 -1.01 0.00 0.00 57.07 55.32 1kya s TYR 372 Cb -0.14 -1.43 -0.07 0.00 -0.11 0.00 0.00 41.96 40.20 1kya s TYR 372 CO 0.04 -0.08 0.69 -1.12 -1.11 0.00 0.00 175.55 173.97 1kya s SER 373 N -0.46 7.22 -0.11 2.29 0.01 -1.26 0.06 113.70 121.45 1kya s SER 373 Ca 0.06 1.44 -0.00 0.00 1.31 0.00 0.00 55.95 58.77 1kya s SER 373 Cb -0.10 -2.43 0.02 0.00 0.21 0.00 0.00 66.02 63.72 1kya s SER 373 CO 0.00 0.20 -0.09 -0.76 0.41 0.00 0.00 173.24 173.01 1kya s LEU 374 N -0.92 1.27 0.39 2.44 1.02 -0.60 -4.91 118.68 117.37 1kya s LEU 374 Ca 0.33 -0.31 -0.25 0.00 0.02 0.00 0.00 54.13 53.92 1kya s LEU 374 Cb -0.21 -0.85 -0.09 0.00 0.02 0.00 0.00 46.19 45.06 1kya s LEU 374 CO 0.22 -0.09 1.16 -2.16 0.02 0.00 0.00 176.35 175.50 1kya s PRO 375 N 1.54 4.11 0.84 1.29 0.04 -1.26 0.25 135.00 141.82 1kya s PRO 375 Ca 0.02 1.82 -0.11 0.00 0.04 0.00 0.00 61.00 62.77 1kya s PRO 375 Cb -0.13 -2.71 0.10 0.00 0.04 0.00 0.00 34.50 31.80 1kya s PRO 375 CO -0.07 -0.27 1.09 -1.54 0.04 0.00 0.00 177.00 176.26 1kya s SER 376 N -1.14 3.90 -1.19 6.66 1.04 -1.26 -4.03 113.70 117.68 1kya s SER 376 Ca 0.56 1.65 -0.32 0.00 0.48 0.00 0.00 55.95 58.32 1kya s SER 376 Cb -0.30 -2.33 0.04 0.00 0.10 0.00 0.00 66.02 63.52 1kya s SER 376 CO 0.38 -2.39 0.69 -3.20 0.98 0.00 0.00 173.24 169.70 1kya n ASN 377 N -3.74 -4.31 -3.94 7.02 5.15 -0.13 -4.95 115.26 110.37 1kya n ASN 377 Ca 0.08 -1.26 -0.09 0.00 -0.60 0.00 0.00 54.58 52.71 1kya n ASN 377 Cb 0.54 -1.84 -0.09 0.00 -0.53 0.00 0.00 39.78 37.87 1kya n ASN 377 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1kya s ALA 378 N -3.49 0.01 -0.11 5.20 0.00 -1.26 -4.94 121.76 117.17 1kya s ALA 378 Ca 0.47 -0.72 -0.15 0.00 0.00 0.00 0.00 51.96 51.56 1kya s ALA 378 Cb -0.25 0.33 -0.05 0.00 0.00 0.00 0.00 23.12 23.15 1kya s ALA 378 CO 0.96 -0.39 0.36 -0.51 0.00 0.00 0.00 175.76 176.17 1kya s ASP 379 N -2.56 6.58 -0.01 0.00 1.01 -1.26 -1.30 116.67 119.13 1kya s ASP 379 Ca 0.01 0.69 0.08 0.00 0.71 0.00 0.00 52.55 54.04 1kya s ASP 379 Cb 0.03 -2.22 -0.02 0.00 1.01 0.00 0.00 42.92 41.72 1kya s ASP 379 CO -0.08 0.14 -0.26 -0.63 0.21 0.00 0.00 175.17 174.55 1kya s ILE 380 N 0.09 2.02 -0.08 0.77 1.01 0.88 -2.05 121.20 123.84 1kya s ILE 380 Ca 0.20 -1.11 0.01 0.00 0.00 0.00 0.00 60.65 59.75 1kya s ILE 380 Cb -0.14 -1.68 0.02 0.00 0.01 0.00 0.00 42.46 40.67 1kya s ILE 380 CO 0.08 0.55 -0.09 -0.70 0.00 0.00 0.00 174.94 174.77 1kya s GLU 381 N -0.66 1.49 -0.00 2.79 2.12 -0.85 -1.20 118.70 122.38 1kya s GLU 381 Ca 0.10 -0.30 0.06 0.00 0.36 0.00 0.00 54.97 55.19 1kya s GLU 381 Cb -0.10 -1.38 -0.02 0.00 0.26 0.00 0.00 34.13 32.90 1kya s GLU 381 CO -0.01 -0.10 -0.20 0.42 -0.54 0.00 0.00 175.26 174.84 1kya s ILE 382 N 1.09 1.59 -0.05 -3.70 1.01 0.47 -0.81 121.20 120.80 1kya s ILE 382 Ca -0.07 -0.91 0.05 0.00 0.00 0.00 0.00 60.65 59.72 1kya s ILE 382 Cb -0.14 -1.33 -0.01 0.00 0.01 0.00 0.00 42.46 40.99 1kya s ILE 382 CO -0.01 0.40 -0.20 -0.94 0.00 0.00 0.00 174.94 174.19 1kya s SER 383 N -0.60 2.52 -0.74 3.58 1.04 -0.65 -0.58 113.70 118.26 1kya s SER 383 Ca 0.08 -0.41 0.04 0.00 0.48 0.00 0.00 55.95 56.13 1kya s SER 383 Cb -0.08 -0.66 0.23 0.00 0.10 0.00 0.00 66.02 65.61 1kya s SER 383 CO -0.00 0.20 0.76 0.49 0.98 0.00 0.00 173.24 175.66 1kya n PHE 384 N 3.02 3.51 -1.64 5.02 3.72 0.01 -0.65 117.46 130.44 1kya n PHE 384 Ca -0.18 -4.05 -0.44 0.00 -0.05 0.00 0.00 57.45 52.74 1kya n PHE 384 Cb 0.53 -0.73 -0.04 0.00 -0.94 0.00 0.00 39.48 38.30 1kya n PHE 384 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1kya n PRO 385 N 1.42 2.47 -1.80 -1.08 -0.02 -1.26 -4.00 135.00 130.73 1kya n PRO 385 Ca 0.26 0.86 -0.42 0.00 -2.02 0.00 0.00 63.50 62.18 1kya n PRO 385 Cb 0.38 -2.97 -0.03 0.00 -0.02 0.00 0.00 33.50 30.86 1kya n PRO 385 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1kya s ALA 386 N 5.33 3.83 -0.08 3.55 0.00 -1.08 -4.65 121.76 128.65 1kya s ALA 386 Ca 0.93 1.46 -0.03 0.00 0.00 0.00 0.00 51.96 54.32 1kya s ALA 386 Cb -0.48 -3.69 0.05 0.00 0.00 0.00 0.00 23.12 18.99 1kya s ALA 386 CO 0.43 -0.98 0.17 -0.08 0.00 0.00 0.00 175.76 175.30 1kya s THR 387 N 1.70 -0.23 -1.06 0.00 -1.32 -1.26 -4.53 115.64 108.93 1kya s THR 387 Ca 0.75 0.32 0.00 0.00 -1.21 0.00 0.00 61.69 61.55 1kya s THR 387 Cb -0.46 -0.30 0.00 0.00 -1.51 0.00 0.00 72.50 70.23 1kya s THR 387 CO 0.33 0.13 0.72 0.00 -2.21 0.00 0.00 174.62 173.59 1kya n ALA 388 N 5.12 0.92 0.33 11.08 0.00 -1.26 -0.68 120.51 136.02 1kya n ALA 388 Ca -0.09 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.48 1kya n ALA 388 Cb 0.50 -0.78 0.58 0.00 0.00 0.00 0.00 19.45 19.75 1kya n ALA 388 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kya h ALA 389 N 1.57 1.00 -3.36 0.00 0.00 -1.95 -3.35 119.26 113.17 1kya h ALA 389 Ca 0.00 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 54.25 1kya h ALA 389 Cb 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 17.54 1kya h ALA 389 CO 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 179.25 178.68 1kya s ALA 390 N -3.46 3.29 0.66 0.00 0.00 0.15 -2.00 121.76 120.40 1kya s ALA 390 Ca 0.02 -3.07 -0.17 0.00 0.00 0.00 0.00 51.96 48.74 1kya s ALA 390 Cb 0.09 -2.27 -0.00 0.00 0.00 0.00 0.00 23.12 20.93 1kya s ALA 390 CO 0.37 -1.96 1.19 -2.14 0.00 0.00 0.00 175.76 173.22 1kya s PRO 391 N 0.11 2.63 0.00 0.00 0.02 -1.26 -4.14 135.00 132.36 1kya s PRO 391 Ca 0.15 1.73 0.00 0.00 0.02 0.00 0.00 61.00 62.90 1kya s PRO 391 Cb -0.23 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.39 1kya s PRO 391 CO -0.03 -1.45 0.00 0.41 -0.33 0.00 0.00 177.00 175.60 1kya n GLY 392 N 0.30 0.88 3.71 0.52 0.00 -1.26 -5.06 105.19 104.28 1kya n GLY 392 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 1kya n GLY 392 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kya s ALA 393 N -2.00 2.09 0.04 4.61 0.00 -1.26 -4.29 121.76 120.95 1kya s ALA 393 Ca 0.00 1.04 -0.29 0.00 0.00 0.00 0.00 51.96 52.71 1kya s ALA 393 Cb 0.00 -3.53 -0.04 0.00 0.00 0.00 0.00 23.12 19.55 1kya s ALA 393 CO 0.00 -1.98 0.93 -1.25 0.00 0.00 0.00 175.76 173.46 1kya s PRO 394 N -3.76 4.60 -0.36 0.00 0.04 -1.26 -5.05 135.00 129.21 1kya s PRO 394 Ca 0.78 1.36 -0.23 0.00 0.04 0.00 0.00 61.00 62.96 1kya s PRO 394 Cb -0.33 -3.42 0.01 0.00 0.04 0.00 0.00 34.50 30.79 1kya s PRO 394 CO 0.45 0.09 0.76 -1.01 0.04 0.00 0.00 177.00 177.33 1kya s HIS 395 N 0.53 3.13 -0.49 0.56 3.76 -1.26 -4.85 115.29 116.67 1kya s HIS 395 Ca 0.48 0.55 -0.28 0.00 -0.15 0.00 0.00 55.06 55.66 1kya s HIS 395 Cb -0.22 -3.33 0.03 0.00 1.11 0.00 0.00 32.58 30.17 1kya s HIS 395 CO 0.28 -0.69 1.11 -2.14 -0.85 0.00 0.00 174.74 172.44 1kya s PRO 396 N 3.01 3.67 0.05 8.40 0.02 -1.26 -1.72 135.00 147.17 1kya s PRO 396 Ca 0.30 0.46 -0.14 0.00 0.02 0.00 0.00 61.00 61.64 1kya s PRO 396 Cb -0.13 -3.92 -0.06 0.00 0.02 0.00 0.00 34.50 30.40 1kya s PRO 396 CO 0.16 -1.39 0.44 -0.06 -0.33 0.00 0.00 177.00 175.82 1kya s PHE 397 N 4.39 3.67 -0.01 6.54 0.40 0.13 0.53 117.98 133.62 1kya s PHE 397 Ca 0.46 0.97 0.06 0.00 -0.60 0.00 0.00 56.93 57.81 1kya s PHE 397 Cb -0.08 -2.28 -0.01 0.00 0.51 0.00 0.00 43.02 41.16 1kya s PHE 397 CO 0.30 0.57 -0.18 -1.58 0.70 0.00 0.00 175.22 175.03 1kya s HIS 398 N -1.24 1.65 -0.10 0.36 5.65 0.13 -1.43 115.29 120.31 1kya s HIS 398 Ca 0.29 -0.32 0.02 0.00 0.25 0.00 0.00 55.06 55.31 1kya s HIS 398 Cb -0.16 -1.06 -0.01 0.00 -1.18 0.00 0.00 32.58 30.18 1kya s HIS 398 CO 0.16 -0.02 -0.19 -1.17 -0.65 0.00 0.00 174.74 172.88 1kya s LEU 399 N -0.49 2.41 0.41 8.88 0.20 -1.10 -1.73 118.68 127.26 1kya s LEU 399 Ca 0.07 -0.42 -0.07 0.00 0.69 0.00 0.00 54.13 54.39 1kya s LEU 399 Cb -0.07 -1.51 -0.05 0.00 -0.43 0.00 0.00 46.19 44.13 1kya s LEU 399 CO -0.01 0.19 0.73 -1.00 -0.29 0.00 0.00 176.35 175.97 1kya s HIS 400 N 0.20 3.50 0.00 5.38 3.76 -0.36 -4.32 115.29 123.45 1kya s HIS 400 Ca -0.11 0.88 0.00 0.00 -0.15 0.00 0.00 55.06 55.68 1kya s HIS 400 Cb -0.16 -2.32 0.00 0.00 1.11 0.00 0.00 32.58 31.21 1kya s HIS 400 CO 0.06 -0.11 0.00 0.41 -0.85 0.00 0.00 174.74 174.25 1kya n GLY 401 N -1.57 0.94 3.26 -2.22 0.00 -1.26 -4.75 105.19 99.59 1kya n GLY 401 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 1kya n GLY 401 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1kya s HIS 402 N -2.18 0.05 -0.07 1.61 4.02 -1.26 -4.72 115.29 112.74 1kya s HIS 402 Ca 0.00 -0.44 -0.01 0.00 1.02 0.00 0.00 55.06 55.63 1kya s HIS 402 Cb 0.00 0.05 -0.03 0.00 -1.02 0.00 0.00 32.58 31.58 1kya s HIS 402 CO 0.00 -0.61 0.01 0.00 1.02 0.00 0.00 174.74 175.16 1kya s ALA 403 N -3.85 3.32 0.29 -1.40 0.00 -1.26 -4.75 121.76 114.11 1kya s ALA 403 Ca 0.05 -0.82 0.11 0.00 0.00 0.00 0.00 51.96 51.30 1kya s ALA 403 Cb 0.04 -1.48 -0.05 0.00 0.00 0.00 0.00 23.12 21.62 1kya s ALA 403 CO -0.10 0.60 -0.16 -0.59 0.00 0.00 0.00 175.76 175.51 1kya s PHE 404 N -0.94 2.35 -0.13 0.00 -0.12 0.87 -4.83 117.98 115.18 1kya s PHE 404 Ca 0.15 -0.35 -0.17 0.00 -0.05 0.00 0.00 56.93 56.51 1kya s PHE 404 Cb -0.11 -1.08 -0.04 0.00 -0.63 0.00 0.00 43.02 41.15 1kya s PHE 404 CO 0.04 0.68 0.42 0.00 -0.05 0.00 0.00 175.22 176.31 1kya s ALA 405 N -2.51 3.51 -0.96 1.99 0.00 0.78 -0.74 121.76 123.84 1kya s ALA 405 Ca 0.31 -0.27 -0.16 0.00 0.00 0.00 0.00 51.96 51.83 1kya s ALA 405 Cb -0.04 -2.56 0.18 0.00 0.00 0.00 0.00 23.12 20.70 1kya s ALA 405 CO 0.16 0.04 1.06 0.08 0.00 0.00 0.00 175.76 177.10 1kya s VAL 406 N 0.55 5.15 0.40 0.00 1.01 -0.83 -1.17 120.40 125.52 1kya s VAL 406 Ca 0.23 -2.17 0.16 0.00 0.00 0.00 0.00 61.98 60.21 1kya s VAL 406 Cb -0.14 -4.69 0.17 0.00 0.00 0.00 0.00 36.38 31.71 1kya s VAL 406 CO 0.08 -1.35 1.94 -0.37 0.00 0.00 0.00 175.10 175.40 1kya h VAL 407 N 5.15 1.06 -3.28 2.92 -1.51 -1.53 -3.41 116.25 115.65 1kya h VAL 407 Ca 0.17 -0.88 -0.39 0.00 -1.23 0.00 0.00 66.70 64.37 1kya h VAL 407 Cb 0.99 1.49 -0.39 0.00 -2.13 0.00 0.00 31.29 31.25 1kya h VAL 407 CO 1.01 0.24 -0.75 -0.60 -1.23 0.00 0.00 177.57 176.25 1kya s ARG 408 N -4.35 0.05 0.38 5.19 3.52 -1.02 0.33 118.95 123.05 1kya s ARG 408 Ca -0.03 0.29 -0.01 0.00 -0.13 0.00 0.00 55.73 55.85 1kya s ARG 408 Cb 0.15 -0.72 -0.03 0.00 -1.56 0.00 0.00 34.95 32.78 1kya s ARG 408 CO 0.69 -0.36 0.61 -1.12 -0.81 0.00 0.00 175.30 174.30 1kya s SER 409 N 2.13 6.29 0.45 -2.12 0.01 -1.26 -2.14 113.70 117.05 1kya s SER 409 Ca 0.05 0.57 -0.25 0.00 1.31 0.00 0.00 55.95 57.62 1kya s SER 409 Cb -0.12 -2.08 -0.08 0.00 0.21 0.00 0.00 66.02 63.94 1kya s SER 409 CO -0.04 -0.36 1.36 0.00 0.41 0.00 0.00 173.24 174.61 1kya s ALA 410 N -2.42 3.19 -0.75 1.44 0.00 -1.26 -2.41 121.76 119.55 1kya s ALA 410 Ca 0.42 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.72 1kya s ALA 410 Cb -0.10 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.48 1kya s ALA 410 CO 0.38 -1.05 0.00 0.41 0.00 0.00 0.00 175.76 175.50 1kya n GLY 411 N 0.62 0.90 3.12 0.00 0.00 -1.26 -4.97 105.19 103.59 1kya n GLY 411 Ca 0.05 -0.72 -0.12 0.00 0.00 0.00 0.00 46.02 45.23 1kya n GLY 411 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1kya s SER 412 N -2.92 -0.09 0.00 1.61 0.15 -1.01 -5.03 113.70 106.40 1kya s SER 412 Ca 0.00 0.06 0.15 0.00 0.70 0.00 0.00 55.95 56.87 1kya s SER 412 Cb 0.00 0.30 0.36 0.00 -1.71 0.00 0.00 66.02 64.97 1kya s SER 412 CO 0.00 -0.27 1.27 0.35 1.20 0.00 0.00 173.24 175.79 1kya n THR 413 N 1.99 0.75 -3.05 6.45 -2.24 -1.26 -4.64 114.28 112.28 1kya n THR 413 Ca -0.19 -0.87 -0.35 0.00 -2.27 0.00 0.00 64.05 60.37 1kya n THR 413 Cb 0.57 0.71 -0.06 0.00 -2.10 0.00 0.00 70.33 69.44 1kya n THR 413 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1kya s VAL 414 N -1.08 4.54 -0.30 2.28 1.01 -1.26 -5.05 120.40 120.53 1kya s VAL 414 Ca 0.29 1.28 0.01 0.00 0.00 0.00 0.00 61.98 63.57 1kya s VAL 414 Cb 0.16 -3.80 0.07 0.00 0.00 0.00 0.00 36.38 32.81 1kya s VAL 414 CO 0.22 0.07 -0.01 -0.31 0.00 0.00 0.00 175.10 175.07 1kya s TYR 415 N -1.68 3.41 -0.46 5.22 1.51 -1.26 -4.32 117.35 119.78 1kya s TYR 415 Ca 0.48 -2.37 -0.16 0.00 -1.01 0.00 0.00 57.07 54.01 1kya s TYR 415 Cb -0.15 -2.34 0.05 0.00 -0.11 0.00 0.00 41.96 39.41 1kya s TYR 415 CO 0.20 -0.88 0.43 1.21 -1.11 0.00 0.00 175.55 175.39 1kya s ASN 416 N 1.17 6.16 0.00 2.29 3.84 0.15 -4.89 114.94 123.66 1kya s ASN 416 Ca -0.02 -1.05 0.24 0.00 0.21 0.00 0.00 52.86 52.24 1kya s ASN 416 Cb -0.20 -2.21 0.26 0.00 -0.55 0.00 0.00 41.25 38.55 1kya s ASN 416 CO -0.05 -0.64 1.29 -1.22 -2.79 0.00 0.00 177.10 173.69 1kya n TYR 417 N 5.44 0.00 -0.03 0.43 4.01 -1.26 -4.24 117.16 121.51 1kya n TYR 417 Ca -0.10 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.60 1kya n TYR 417 Cb 0.45 -0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.44 1kya n TYR 417 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1kya n ASP 418 N 1.05 3.52 -0.00 7.72 2.03 -1.26 -4.35 116.55 125.26 1kya n ASP 418 Ca 0.14 -0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.43 1kya n ASP 418 Cb 0.56 0.16 0.00 0.00 -0.72 0.00 0.00 41.12 41.12 1kya n ASP 418 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1kya n ASN 419 N -2.52 1.52 -4.76 1.67 4.05 -1.26 -4.80 115.26 109.14 1kya n ASN 419 Ca -0.11 -1.77 -0.39 0.00 0.45 0.00 0.00 54.58 52.75 1kya n ASN 419 Cb 0.65 -0.01 0.01 0.00 1.23 0.00 0.00 39.78 41.66 1kya n ASN 419 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1kya s PRO 420 N -0.78 3.74 0.83 1.20 0.04 -1.26 -4.41 135.00 134.36 1kya s PRO 420 Ca 0.00 2.21 -0.11 0.00 0.04 0.00 0.00 61.00 63.14 1kya s PRO 420 Cb 0.00 -2.62 0.09 0.00 0.04 0.00 0.00 34.50 32.02 1kya s PRO 420 CO 0.00 -0.70 1.09 0.96 0.04 0.00 0.00 177.00 178.39 1kya s ILE 421 N -1.28 2.99 0.06 0.56 -5.25 -1.20 -4.55 121.20 112.53 1kya s ILE 421 Ca 0.61 0.32 0.06 0.00 -0.99 0.00 0.00 60.65 60.65 1kya s ILE 421 Cb -0.39 -2.87 -0.04 0.00 2.95 0.00 0.00 42.46 42.11 1kya s ILE 421 CO 0.49 -0.42 -0.12 -0.36 -1.79 0.00 0.00 174.94 172.75 1kya s PHE 422 N -2.97 2.72 0.19 1.37 0.08 -1.26 -1.96 117.98 116.16 1kya s PHE 422 Ca 0.62 -0.16 -0.22 0.00 0.12 0.00 0.00 56.93 57.29 1kya s PHE 422 Cb -0.17 -1.49 0.07 0.00 -0.57 0.00 0.00 43.02 40.87 1kya s PHE 422 CO 0.56 0.36 1.00 -0.98 -0.10 0.00 0.00 175.22 176.06 1kya s ARG 423 N -1.76 1.36 0.00 0.44 1.70 0.08 -4.66 118.95 116.11 1kya s ARG 423 Ca 0.18 -0.84 0.06 0.00 -0.47 0.00 0.00 55.73 54.66 1kya s ARG 423 Cb -0.11 0.40 -0.05 0.00 -0.57 0.00 0.00 34.95 34.62 1kya s ARG 423 CO 0.09 -0.63 0.32 -0.40 -1.08 0.00 0.00 175.30 173.60 1kya n ASP 424 N -1.02 0.46 -3.96 -2.89 5.68 -1.26 -0.09 116.55 113.46 1kya n ASP 424 Ca -0.04 -0.73 -0.24 0.00 -0.50 0.00 0.00 54.79 53.28 1kya n ASP 424 Cb 0.60 0.86 -0.17 0.00 -1.14 0.00 0.00 41.12 41.27 1kya n ASP 424 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1kya s VAL 425 N -1.43 0.93 -0.01 2.12 1.01 -1.26 -2.72 120.40 119.05 1kya s VAL 425 Ca 0.03 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.68 1kya s VAL 425 Cb 0.05 -0.89 0.01 0.00 0.00 0.00 0.00 36.38 35.54 1kya s VAL 425 CO 0.22 0.32 -0.02 0.54 0.00 0.00 0.00 175.10 176.17 1kya s VAL 426 N 0.91 0.21 0.05 2.92 0.11 -0.51 -4.95 120.40 119.14 1kya s VAL 426 Ca -0.10 -0.03 -0.31 0.00 -2.93 0.00 0.00 61.98 58.61 1kya s VAL 426 Cb -0.15 -0.23 -0.06 0.00 -1.53 0.00 0.00 36.38 34.41 1kya s VAL 426 CO 0.01 0.10 1.33 -0.55 -3.33 0.00 0.00 175.10 172.66 1kya s SER 427 N 0.44 6.92 -0.18 3.54 0.15 -1.26 -0.70 113.70 122.61 1kya s SER 427 Ca -0.04 2.14 0.06 0.00 0.70 0.00 0.00 55.95 58.81 1kya s SER 427 Cb -0.07 -2.57 0.45 0.00 -1.71 0.00 0.00 66.02 62.11 1kya s SER 427 CO -0.01 -0.62 1.33 0.35 1.20 0.00 0.00 173.24 175.49 1kya n THR 428 N 4.22 1.83 -4.17 6.45 -2.24 -0.70 -4.20 114.28 115.47 1kya n THR 428 Ca 0.11 -0.91 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 1kya n THR 428 Cb 0.44 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.19 1kya n THR 428 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kya n GLY 429 N 0.08 0.96 3.23 3.38 0.00 -1.26 -4.39 105.19 107.20 1kya n GLY 429 Ca 0.22 -0.68 -0.09 0.00 0.00 0.00 0.00 46.02 45.47 1kya n GLY 429 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1kya s THR 430 N 0.00 0.13 0.62 2.61 -4.23 -1.26 -4.11 115.64 109.39 1kya s THR 430 Ca 0.00 -1.18 0.42 0.00 -1.18 0.00 0.00 61.69 59.74 1kya s THR 430 Cb 0.00 -1.41 0.42 0.00 1.34 0.00 0.00 72.50 72.85 1kya s THR 430 CO 0.00 -0.58 2.28 -0.65 -0.54 0.00 0.00 174.62 175.14 1kya h PRO 431 N 2.70 0.00 0.00 3.99 0.11 -1.92 -3.13 132.00 133.75 1kya h PRO 431 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1kya h PRO 431 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1kya h PRO 431 CO 0.54 0.00 -0.42 0.00 -0.21 0.00 0.00 178.00 177.92 1kya n ALA 432 N -2.04 2.96 1.08 -0.75 0.00 -1.26 -2.87 120.51 117.64 1kya n ALA 432 Ca -0.03 -0.23 0.12 0.00 0.00 0.00 0.00 53.44 53.30 1kya n ALA 432 Cb 0.10 -1.23 0.14 0.00 0.00 0.00 0.00 19.45 18.46 1kya n ALA 432 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kya n ALA 433 N -1.66 3.60 -2.36 0.00 0.00 -1.20 -4.94 120.51 113.96 1kya n ALA 433 Ca 0.05 -0.51 -0.21 0.00 0.00 0.00 0.00 53.44 52.77 1kya n ALA 433 Cb 0.39 -0.95 -0.01 0.00 0.00 0.00 0.00 19.45 18.87 1kya n ALA 433 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kya n GLY 434 N 1.42 -0.37 3.56 0.00 0.00 -1.14 -4.91 105.19 103.75 1kya n GLY 434 Ca 0.09 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 1kya n GLY 434 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1kya n ASP 435 N -1.91 -0.18 -2.70 1.61 8.00 -1.19 -4.92 116.55 115.27 1kya n ASP 435 Ca -0.24 0.61 -0.06 0.00 0.71 0.00 0.00 54.79 55.80 1kya n ASP 435 Cb 0.69 -1.34 0.11 0.00 -0.02 0.00 0.00 41.12 40.55 1kya n ASP 435 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1kya n ASN 436 N -1.43 -1.18 -4.11 -2.24 5.15 -1.26 -2.65 115.26 107.54 1kya n ASN 436 Ca 0.12 -2.42 -0.53 0.00 -0.60 0.00 0.00 54.58 51.15 1kya n ASN 436 Cb 0.50 0.66 -0.07 0.00 -0.53 0.00 0.00 39.78 40.34 1kya n ASN 436 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1kya n VAL 437 N -0.74 0.17 -4.27 3.44 0.31 -1.26 -4.55 118.33 111.43 1kya n VAL 437 Ca -0.04 -0.04 -0.18 0.00 -0.01 0.00 0.00 64.34 64.06 1kya n VAL 437 Cb 0.85 0.00 -0.15 0.00 -0.91 0.00 0.00 33.84 33.63 1kya n VAL 437 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1kya s THR 438 N -0.08 0.60 0.21 2.52 2.01 -0.91 -0.81 115.64 119.18 1kya s THR 438 Ca 0.81 -0.28 0.05 0.00 0.31 0.00 0.00 61.69 62.59 1kya s THR 438 Cb -1.13 -0.54 -0.05 0.00 0.01 0.00 0.00 72.50 70.79 1kya s THR 438 CO 0.52 0.19 -0.08 0.27 -0.69 0.00 0.00 174.62 174.83 1kya s ILE 439 N 0.14 1.37 0.01 1.82 -4.36 0.25 -1.65 121.20 118.79 1kya s ILE 439 Ca -0.02 -2.11 -0.02 0.00 -0.26 0.00 0.00 60.65 58.25 1kya s ILE 439 Cb -0.07 -2.15 -0.01 0.00 1.25 0.00 0.00 42.46 41.49 1kya s ILE 439 CO -0.00 -0.51 0.02 -0.13 0.24 0.00 0.00 174.94 174.56 1kya s ARG 440 N -3.75 0.28 0.10 0.37 0.52 -0.32 -0.40 118.95 115.76 1kya s ARG 440 Ca 0.24 -0.42 -0.22 0.00 -0.52 0.00 0.00 55.73 54.81 1kya s ARG 440 Cb 0.03 0.11 0.05 0.00 0.52 0.00 0.00 34.95 35.66 1kya s ARG 440 CO 0.07 -0.05 0.53 -0.59 0.02 0.00 0.00 175.30 175.27 1kya s PHE 441 N -1.12 -0.42 -0.15 -0.53 -0.71 -0.34 -0.15 117.98 114.56 1kya s PHE 441 Ca -0.12 0.32 -0.07 0.00 -1.04 0.00 0.00 56.93 56.02 1kya s PHE 441 Cb -0.07 0.40 -0.04 0.00 -1.21 0.00 0.00 43.02 42.09 1kya s PHE 441 CO -0.00 -0.72 0.09 -0.98 -1.34 0.00 0.00 175.22 172.26 1kya s ARG 442 N -3.14 3.64 -1.00 1.99 3.03 -1.26 -0.08 118.95 122.13 1kya s ARG 442 Ca -0.02 -0.27 -0.23 0.00 2.03 0.00 0.00 55.73 57.24 1kya s ARG 442 Cb -0.00 -3.15 0.01 0.00 -1.03 0.00 0.00 34.95 30.78 1kya s ARG 442 CO -0.07 0.53 1.64 0.95 -1.13 0.00 0.00 175.30 177.22 1kya s THR 443 N -0.34 3.76 -0.27 4.99 -4.23 -0.42 -4.67 115.64 114.47 1kya s THR 443 Ca 0.10 -0.68 0.10 0.00 -1.18 0.00 0.00 61.69 60.02 1kya s THR 443 Cb -0.12 -4.70 0.22 0.00 1.34 0.00 0.00 72.50 69.25 1kya s THR 443 CO 0.01 -1.59 1.16 -0.90 -0.54 0.00 0.00 174.62 172.77 1kya n ASP 444 N 10.71 2.59 -3.51 3.99 5.75 -1.26 -0.95 116.55 133.88 1kya n ASP 444 Ca 0.36 -2.43 -0.28 0.00 -0.01 0.00 0.00 54.79 52.43 1kya n ASP 444 Cb 0.49 -0.25 -0.14 0.00 -1.03 0.00 0.00 41.12 40.20 1kya n ASP 444 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1kya s ASN 445 N -1.62 3.24 0.31 -1.12 3.84 -1.26 -5.06 114.94 113.27 1kya s ASN 445 Ca 0.20 -1.54 -0.29 0.00 0.21 0.00 0.00 52.86 51.43 1kya s ASN 445 Cb 0.15 -0.31 -0.11 0.00 -0.55 0.00 0.00 41.25 40.43 1kya s ASN 445 CO 0.06 -0.40 1.54 -2.84 -2.79 0.00 0.00 177.10 172.68 1kya s PRO 446 N 1.79 4.14 0.00 0.43 0.02 -1.26 -4.86 135.00 135.25 1kya s PRO 446 Ca 0.12 2.54 0.00 0.00 0.02 0.00 0.00 61.00 63.68 1kya s PRO 446 Cb -0.18 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.32 1kya s PRO 446 CO -0.25 -0.58 0.00 0.41 -0.33 0.00 0.00 177.00 176.26 1kya n GLY 447 N 1.70 3.21 3.69 0.52 0.00 0.13 -4.78 105.19 109.67 1kya n GLY 447 Ca 0.06 -1.77 -0.41 0.00 0.00 0.00 0.00 46.02 43.89 1kya n GLY 447 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1kya s PRO 448 N -2.08 4.41 -0.02 1.61 0.04 -1.26 -1.38 135.00 136.33 1kya s PRO 448 Ca 0.00 1.12 0.05 0.00 0.04 0.00 0.00 61.00 62.21 1kya s PRO 448 Cb 0.00 -3.51 -0.01 0.00 0.04 0.00 0.00 34.50 31.02 1kya s PRO 448 CO 0.00 -0.16 -0.17 -1.58 0.04 0.00 0.00 177.00 175.13 1kya s TRP 449 N 1.51 1.55 0.40 0.56 0.52 0.48 -4.89 118.94 119.06 1kya s TRP 449 Ca 0.43 -0.33 -0.21 0.00 0.02 0.00 0.00 56.10 56.01 1kya s TRP 449 Cb -0.18 -1.01 -0.11 0.00 -1.15 0.00 0.00 33.47 31.02 1kya s TRP 449 CO 0.18 -0.06 0.92 0.12 0.02 0.00 0.00 176.95 178.13 1kya s PHE 450 N -0.29 3.37 -0.09 -1.98 5.36 -1.26 -0.21 117.98 122.88 1kya s PHE 450 Ca 0.04 1.57 -0.03 0.00 -0.96 0.00 0.00 56.93 57.55 1kya s PHE 450 Cb -0.08 -2.81 0.04 0.00 -0.34 0.00 0.00 43.02 39.84 1kya s PHE 450 CO -0.00 -0.03 0.10 -1.17 -1.46 0.00 0.00 175.22 172.66 1kya s LEU 451 N -2.99 0.11 0.27 6.12 2.96 -0.29 -1.23 118.68 123.63 1kya s LEU 451 Ca 0.59 -0.02 -0.21 0.00 -0.22 0.00 0.00 54.13 54.27 1kya s LEU 451 Cb -0.11 -0.02 0.03 0.00 0.50 0.00 0.00 46.19 46.59 1kya s LEU 451 CO 0.15 -0.27 0.77 -1.38 -1.32 0.00 0.00 176.35 174.29 1kya s HIS 452 N 2.20 -0.16 0.24 5.38 -3.43 -0.71 -0.37 115.29 118.45 1kya s HIS 452 Ca 0.04 -0.29 -0.30 0.00 -0.80 0.00 0.00 55.06 53.71 1kya s HIS 452 Cb -0.13 0.71 -0.09 0.00 -1.43 0.00 0.00 32.58 31.64 1kya s HIS 452 CO -0.06 -1.19 1.03 0.00 -2.00 0.00 0.00 174.74 172.53 1kya n HIS 454 N 1.54 0.56 -2.76 0.00 -0.00 0.19 -4.39 115.22 110.36 1kya n HIS 454 Ca -0.01 -0.26 -0.42 0.00 0.46 0.00 0.00 57.72 57.49 1kya n HIS 454 Cb 0.46 -0.05 -0.03 0.00 -0.12 0.00 0.00 29.99 30.25 1kya n HIS 454 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 1kya s ILE 455 N -1.58 4.25 0.34 3.57 1.01 -1.26 -4.67 121.20 122.86 1kya s ILE 455 Ca 0.24 -0.64 0.13 0.00 0.00 0.00 0.00 60.65 60.39 1kya s ILE 455 Cb 0.14 -4.83 0.35 0.00 0.01 0.00 0.00 42.46 38.13 1kya s ILE 455 CO 0.15 -1.64 1.61 -0.78 0.00 0.00 0.00 174.94 174.28 1kya h ASP 456 N 9.50 0.21 0.14 3.58 -0.00 -0.94 0.69 116.42 129.60 1kya h ASP 456 Ca -0.07 0.23 -0.01 0.00 -0.00 0.00 0.00 57.03 57.18 1kya h ASP 456 Cb 1.04 0.26 -0.00 0.00 -0.00 0.00 0.00 39.33 40.64 1kya h ASP 456 CO 1.23 -0.30 -0.06 -0.26 -0.00 0.00 0.00 179.24 179.85 1kya h PHE 457 N 0.13 0.00 0.04 0.28 0.04 -1.89 0.14 116.94 115.68 1kya h PHE 457 Ca 0.74 0.00 -0.28 0.00 2.80 0.00 0.00 57.97 61.23 1kya h PHE 457 Cb 1.76 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.88 1kya h PHE 457 CO -0.12 0.06 -1.50 0.45 -0.60 0.00 0.00 178.31 176.59 1kya h HIS 458 N 0.00 0.16 -0.18 -0.55 3.86 0.05 -3.07 115.15 115.42 1kya h HIS 458 Ca -0.00 -0.12 -0.02 0.00 -1.16 0.00 0.00 60.37 59.07 1kya h HIS 458 Cb 0.14 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.60 1kya h HIS 458 CO 0.00 1.16 0.02 1.25 0.86 0.00 0.00 177.93 181.22 1kya h LEU 459 N 0.02 0.29 -2.17 2.43 6.46 -0.75 -1.49 115.31 120.10 1kya h LEU 459 Ca -0.22 -0.28 0.06 0.00 -0.12 0.00 0.00 57.88 57.33 1kya h LEU 459 Cb 1.96 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 41.80 1kya h LEU 459 CO 0.12 0.49 0.21 -0.33 -0.62 0.00 0.00 178.44 178.31 1kya h GLU 460 N 0.07 0.00 -0.65 1.25 5.08 -0.85 -0.52 114.58 118.96 1kya h GLU 460 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1kya h GLU 460 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1kya h GLU 460 CO 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.02 1kya n ALA 461 N -2.40 3.18 -0.45 3.43 0.00 -0.77 -4.92 120.51 118.57 1kya n ALA 461 Ca 0.02 -1.25 0.00 0.00 0.00 0.00 0.00 53.44 52.22 1kya n ALA 461 Cb 0.35 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.74 1kya n ALA 461 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kya n GLY 462 N 0.72 0.75 2.52 0.00 0.00 -0.20 -0.74 105.19 108.23 1kya n GLY 462 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 1kya n GLY 462 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1kya n PHE 463 N -2.23 2.29 -4.00 1.61 7.35 -0.63 -0.89 117.46 120.95 1kya n PHE 463 Ca 0.00 -2.68 -0.09 0.00 -0.76 0.00 0.00 57.45 53.91 1kya n PHE 463 Cb 0.00 -2.23 -0.06 0.00 0.35 0.00 0.00 39.48 37.54 1kya n PHE 463 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1kya s ALA 464 N 2.88 -0.10 0.12 3.13 0.00 -1.26 -2.73 121.76 123.80 1kya s ALA 464 Ca 0.57 -0.93 -0.13 0.00 0.00 0.00 0.00 51.96 51.47 1kya s ALA 464 Cb 0.15 1.07 0.02 0.00 0.00 0.00 0.00 23.12 24.35 1kya s ALA 464 CO -0.04 -0.80 0.32 0.08 0.00 0.00 0.00 175.76 175.32 1kya s VAL 465 N -4.02 0.09 -0.02 0.00 1.01 0.51 -4.28 120.40 113.69 1kya s VAL 465 Ca 0.23 -0.89 0.06 0.00 0.00 0.00 0.00 61.98 61.38 1kya s VAL 465 Cb 0.01 -1.32 -0.01 0.00 0.00 0.00 0.00 36.38 35.05 1kya s VAL 465 CO 0.08 -0.43 -0.22 -0.69 0.00 0.00 0.00 175.10 173.84 1kya s VAL 466 N -3.85 1.75 -0.29 2.92 1.01 0.72 -1.14 120.40 121.53 1kya s VAL 466 Ca 0.05 -0.94 -0.05 0.00 0.00 0.00 0.00 61.98 61.05 1kya s VAL 466 Cb 0.03 -1.46 0.02 0.00 0.00 0.00 0.00 36.38 34.97 1kya s VAL 466 CO -0.10 0.49 0.05 -0.36 0.00 0.00 0.00 175.10 175.18 1kya s PHE 467 N -0.42 3.15 -0.76 5.22 0.08 0.71 -1.14 117.98 124.81 1kya s PHE 467 Ca 0.06 -1.23 -0.19 0.00 0.12 0.00 0.00 56.93 55.68 1kya s PHE 467 Cb -0.09 -2.20 0.12 0.00 -0.57 0.00 0.00 43.02 40.27 1kya s PHE 467 CO -0.00 -0.65 0.95 0.00 -0.10 0.00 0.00 175.22 175.42 1kya s ALA 468 N 1.43 3.37 -0.23 5.36 0.00 0.11 -0.39 121.76 131.41 1kya s ALA 468 Ca 0.01 -2.43 -0.25 0.00 0.00 0.00 0.00 51.96 49.29 1kya s ALA 468 Cb -0.18 -3.83 -0.01 0.00 0.00 0.00 0.00 23.12 19.11 1kya s ALA 468 CO 0.01 -2.71 0.84 -2.00 0.00 0.00 0.00 175.76 171.90 1kya s GLU 469 N 2.85 4.20 -0.94 0.00 2.12 -0.48 -1.56 118.70 124.90 1kya s GLU 469 Ca 0.23 0.98 -0.10 0.00 0.36 0.00 0.00 54.97 56.44 1kya s GLU 469 Cb -0.13 -3.63 0.00 0.00 0.26 0.00 0.00 34.13 30.63 1kya s GLU 469 CO -0.00 -0.50 0.68 -3.47 -0.54 0.00 0.00 175.26 171.43 1kya n ASP 470 N 5.91 -5.48 -0.26 -1.70 2.03 0.14 -0.69 116.55 116.49 1kya n ASP 470 Ca 0.06 -0.84 0.08 0.00 0.52 0.00 0.00 54.79 54.60 1kya n ASP 470 Cb 0.48 -2.83 0.21 0.00 -0.72 0.00 0.00 41.12 38.26 1kya n ASP 470 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1kya h ILE 471 N -0.84 0.48 -0.59 5.18 2.04 -1.81 -2.34 117.51 119.63 1kya h ILE 471 Ca -0.53 -0.10 0.07 0.00 1.00 0.00 0.00 64.86 65.31 1kya h ILE 471 Cb 1.31 0.17 -0.06 0.00 -0.74 0.00 0.00 36.82 37.51 1kya h ILE 471 CO 0.40 0.05 0.26 -0.65 0.00 0.00 0.00 178.15 178.21 1kya h PRO 472 N 0.28 0.47 0.00 2.37 0.11 -1.91 -2.26 132.00 131.05 1kya h PRO 472 Ca 0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.53 1kya h PRO 472 Cb 0.80 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.81 1kya h PRO 472 CO -0.54 0.31 -0.02 -0.25 -0.21 0.00 0.00 178.00 177.29 1kya n ASP 473 N -4.93 0.28 -0.01 -2.05 8.00 -0.91 -4.41 116.55 112.52 1kya n ASP 473 Ca 0.08 0.50 -0.11 0.00 0.71 0.00 0.00 54.79 55.97 1kya n ASP 473 Cb 0.22 -0.56 -0.07 0.00 -0.02 0.00 0.00 41.12 40.68 1kya n ASP 473 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1kya h VAL 474 N 0.00 0.00 -0.58 2.53 2.07 -1.03 0.29 116.25 119.52 1kya h VAL 474 Ca 0.00 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.58 1kya h VAL 474 Cb 0.58 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.29 1kya h VAL 474 CO 0.00 0.00 0.28 0.00 0.02 0.00 0.00 177.57 177.87 1kya h ALA 475 N -0.61 0.76 -0.34 1.67 0.00 -1.77 -1.21 119.26 117.76 1kya h ALA 475 Ca 0.02 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 1kya h ALA 475 Cb 0.48 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1kya h ALA 475 CO -0.32 -0.09 -0.39 0.66 0.00 0.00 0.00 179.25 179.11 1kya h SER 476 N 0.52 0.93 0.42 0.00 4.64 -1.79 -3.19 113.55 115.08 1kya h SER 476 Ca 0.27 -0.48 -0.07 0.00 -0.47 0.00 0.00 61.79 61.04 1kya h SER 476 Cb 0.23 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 1kya h SER 476 CO -0.21 1.22 -0.35 0.00 -0.87 0.00 0.00 176.83 176.63 1kya h ALA 477 N 0.73 1.33 -2.42 5.18 0.00 -0.14 -3.36 119.26 120.59 1kya h ALA 477 Ca 0.05 -0.31 -0.62 0.00 0.00 0.00 0.00 54.91 54.03 1kya h ALA 477 Cb 0.98 -0.06 -0.41 0.00 0.00 0.00 0.00 17.79 18.31 1kya h ALA 477 CO 0.09 0.43 -0.51 0.09 0.00 0.00 0.00 179.25 179.35 1kya n ASN 478 N -3.99 3.73 -4.69 0.00 4.13 -0.48 -4.35 115.26 109.61 1kya n ASN 478 Ca -0.02 -3.38 -0.44 0.00 1.68 0.00 0.00 54.58 52.42 1kya n ASN 478 Cb 0.40 -0.73 -0.03 0.00 -1.54 0.00 0.00 39.78 37.88 1kya n ASN 478 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 1kya n PRO 479 N 1.17 2.28 -4.32 3.52 -0.02 -1.26 -4.89 135.00 131.49 1kya n PRO 479 Ca 0.27 0.82 -0.34 0.00 -2.02 0.00 0.00 63.50 62.23 1kya n PRO 479 Cb 0.39 -2.55 -0.12 0.00 -0.02 0.00 0.00 33.50 31.20 1kya n PRO 479 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1kya s VAL 480 N 0.36 4.08 0.66 -1.45 -7.23 -1.26 -4.95 120.40 110.61 1kya s VAL 480 Ca 0.71 -0.29 -0.15 0.00 -1.81 0.00 0.00 61.98 60.44 1kya s VAL 480 Cb -0.61 -2.80 0.00 0.00 0.56 0.00 0.00 36.38 33.53 1kya s VAL 480 CO 0.44 0.49 1.13 -2.16 -0.31 0.00 0.00 175.10 174.69 1kya s PRO 481 N 0.31 2.72 0.23 4.82 0.04 -1.26 -4.86 135.00 137.00 1kya s PRO 481 Ca -0.02 1.47 -0.08 0.00 0.04 0.00 0.00 61.00 62.41 1kya s PRO 481 Cb -0.14 -1.93 0.38 0.00 0.04 0.00 0.00 34.50 32.85 1kya s PRO 481 CO 0.02 -1.32 1.67 -0.56 0.04 0.00 0.00 177.00 176.85 1kya h GLN 482 N 0.05 0.19 -0.92 4.56 -0.00 -1.99 -0.41 115.11 116.59 1kya h GLN 482 Ca -0.47 -0.01 0.19 0.00 -0.00 0.00 0.00 58.65 58.36 1kya h GLN 482 Cb 1.26 -0.04 -0.07 0.00 -0.00 0.00 0.00 27.48 28.62 1kya h GLN 482 CO 0.53 0.12 0.60 0.00 -0.00 0.00 0.00 178.83 180.09 1kya h ALA 483 N 1.58 2.07 -0.33 0.06 0.00 -1.99 -0.23 119.26 120.42 1kya h ALA 483 Ca 0.37 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.20 1kya h ALA 483 Cb 0.61 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1kya h ALA 483 CO -0.52 -0.36 -0.20 2.35 0.00 0.00 0.00 179.25 180.52 1kya h TRP 484 N 0.51 0.83 0.00 0.00 7.01 -1.43 -2.67 115.95 120.20 1kya h TRP 484 Ca 0.49 -0.22 0.00 0.00 2.11 0.00 0.00 58.89 61.27 1kya h TRP 484 Cb 1.07 -0.19 0.00 0.00 -2.10 0.00 0.00 29.16 27.94 1kya h TRP 484 CO -0.00 0.94 0.00 -1.13 -2.79 0.00 0.00 178.44 175.46 1kya n SER 485 N -4.31 0.46 0.04 2.65 3.41 -0.19 -2.34 113.62 113.34 1kya n SER 485 Ca -0.03 0.60 0.03 0.00 -0.26 0.00 0.00 58.87 59.22 1kya n SER 485 Cb 0.42 -0.70 -0.07 0.00 -0.26 0.00 0.00 64.21 63.59 1kya n SER 485 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1kya n ASP 486 N -2.00 0.76 -0.20 4.04 8.00 -0.63 -4.48 116.55 122.05 1kya n ASP 486 Ca 0.03 0.32 -0.07 0.00 0.71 0.00 0.00 54.79 55.78 1kya n ASP 486 Cb 0.23 0.39 -0.02 0.00 -0.02 0.00 0.00 41.12 41.70 1kya n ASP 486 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1kya h LEU 487 N 0.00 -1.38 -0.30 0.64 4.07 -1.13 -2.55 115.31 114.66 1kya h LEU 487 Ca -0.13 0.24 -0.01 0.00 0.08 0.00 0.00 57.88 58.06 1kya h LEU 487 Cb 1.42 0.64 -0.01 0.00 1.08 0.00 0.00 40.66 43.79 1kya h LEU 487 CO 0.03 -0.33 0.15 0.00 -1.08 0.00 0.00 178.44 177.22 1kya h PRO 489 N 0.36 0.70 -0.04 0.00 0.11 -1.74 0.12 132.00 131.51 1kya h PRO 489 Ca 0.11 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 66.05 1kya h PRO 489 Cb 0.10 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.04 1kya h PRO 489 CO -0.01 0.46 -0.56 0.00 -0.21 0.00 0.00 178.00 177.68 1kya h THR 490 N 0.72 1.38 0.02 -1.15 1.03 -1.39 -2.81 112.91 110.71 1kya h THR 490 Ca 0.28 -1.89 -0.23 0.00 -0.01 0.00 0.00 66.41 64.57 1kya h THR 490 Cb 0.13 1.97 0.02 0.00 -1.07 0.00 0.00 68.15 69.20 1kya h THR 490 CO -0.15 0.55 -0.90 0.22 -0.01 0.00 0.00 175.52 175.23 1kya h TYR 491 N 0.10 0.87 0.00 0.00 3.20 -0.49 -3.28 116.97 117.37 1kya h TYR 491 Ca -0.00 -0.49 -0.04 0.00 3.14 0.00 0.00 58.73 61.34 1kya h TYR 491 Cb 1.01 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.18 1kya h TYR 491 CO 0.01 1.32 -0.19 -0.44 -1.64 0.00 0.00 178.16 177.22 1kya h ASP 492 N 0.18 0.00 1.16 -2.11 3.32 -0.82 -2.64 116.42 115.52 1kya h ASP 492 Ca -0.12 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.89 1kya h ASP 492 Cb 1.58 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.12 1kya h ASP 492 CO 0.18 0.19 -0.21 0.00 -1.72 0.00 0.00 179.24 177.68 1kya h ALA 493 N 1.81 0.96 -2.89 3.45 0.00 -1.55 -3.45 119.26 117.58 1kya h ALA 493 Ca -0.00 -0.19 -0.53 0.00 0.00 0.00 0.00 54.91 54.18 1kya h ALA 493 Cb 0.61 -0.03 0.09 0.00 0.00 0.00 0.00 17.79 18.46 1kya h ALA 493 CO 0.03 0.27 0.62 1.03 0.00 0.00 0.00 179.25 181.19 1kya s ARG 494 N -3.49 3.81 0.40 0.00 1.81 -1.00 -5.01 118.95 115.48 1kya s ARG 494 Ca 0.02 2.18 -0.23 0.00 -1.72 0.00 0.00 55.73 55.98 1kya s ARG 494 Cb 0.09 -2.66 -0.10 0.00 -0.45 0.00 0.00 34.95 31.83 1kya s ARG 494 CO 0.65 -0.63 0.97 -0.51 -0.68 0.00 0.00 175.30 175.10 1kya s ASP 495 N -0.77 6.99 0.28 0.23 1.01 -1.26 -4.94 116.67 118.21 1kya s ASP 495 Ca 0.60 1.81 0.07 0.00 0.71 0.00 0.00 52.55 55.75 1kya s ASP 495 Cb -0.39 -2.56 0.83 0.00 1.01 0.00 0.00 42.92 41.82 1kya s ASP 495 CO 0.49 -0.32 1.35 -2.65 0.21 0.00 0.00 175.17 174.24 1kya n PRO 496 N -0.19 -0.06 -0.06 8.23 -0.02 -1.26 -1.75 135.00 139.88 1kya n PRO 496 Ca 0.05 1.25 -0.19 0.00 -2.02 0.00 0.00 63.50 62.59 1kya n PRO 496 Cb 0.52 -2.07 -0.13 0.00 -0.02 0.00 0.00 33.50 31.80 1kya n PRO 496 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1kya n SER 497 N -5.13 1.88 -0.27 2.55 3.41 -1.26 -4.20 113.62 110.61 1kya n SER 497 Ca 0.25 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.90 1kya n SER 497 Cb 0.82 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 1kya n SER 497 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1kya n ASP 498 N -3.32 0.07 0.00 4.04 8.00 -0.72 -4.85 116.55 119.78 1kya n ASP 498 Ca -0.38 -0.27 0.00 0.00 0.71 0.00 0.00 54.79 54.85 1kya n ASP 498 Cb 1.03 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 42.09 1kya n ASP 498 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81