#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 4.78 0.33 -0.61 -4.36 -1.12 -4.86 121.20 115.36 1kya s ILE 2 Ca 0.00 -0.41 -0.09 0.00 -0.26 0.00 0.00 60.65 59.89 1kya s ILE 2 Cb 0.00 -4.36 -0.06 0.00 1.25 0.00 0.00 42.46 39.28 1kya s ILE 2 CO 0.00 -0.90 -0.47 0.61 0.24 0.00 0.00 174.94 174.42 1kya n GLY 3 N 5.18 -1.09 0.53 6.27 0.00 -1.26 -3.55 105.19 111.27 1kya n GLY 3 Ca -0.05 -0.08 0.36 0.00 0.00 0.00 0.00 46.02 46.24 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 -5.07 1.61 0.11 -1.86 -3.37 132.00 123.13 1kya h PRO 4 Ca -0.13 -0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.32 1kya h PRO 4 Cb 0.46 -0.01 -0.27 0.00 0.11 0.00 0.00 31.00 31.29 1kya h PRO 4 CO 0.07 0.03 -0.72 0.14 -0.21 0.00 0.00 178.00 177.31 1kya s VAL 5 N -5.00 3.41 0.03 3.15 -7.23 -1.26 -1.33 120.40 112.17 1kya s VAL 5 Ca -0.05 -0.49 -0.28 0.00 -1.81 0.00 0.00 61.98 59.35 1kya s VAL 5 Cb 0.24 -2.53 0.10 0.00 0.56 0.00 0.00 36.38 34.74 1kya s VAL 5 CO 0.81 0.44 0.86 0.00 -0.31 0.00 0.00 175.10 176.91 1kya s ALA 6 N 1.21 -1.78 -0.10 1.32 0.00 -0.84 -5.00 121.76 116.58 1kya s ALA 6 Ca 0.03 0.87 -0.06 0.00 0.00 0.00 0.00 51.96 52.80 1kya s ALA 6 Cb -0.14 0.49 -0.04 0.00 0.00 0.00 0.00 23.12 23.42 1kya s ALA 6 CO -0.01 -0.73 0.13 -0.51 0.00 0.00 0.00 175.76 174.64 1kya s ASP 7 N -2.55 6.26 -0.43 0.00 1.01 -1.26 -1.18 116.67 118.51 1kya s ASP 7 Ca 0.05 0.42 0.03 0.00 0.71 0.00 0.00 52.55 53.76 1kya s ASP 7 Cb -0.01 -1.99 0.12 0.00 1.01 0.00 0.00 42.92 42.05 1kya s ASP 7 CO -0.08 0.39 0.19 -0.76 0.21 0.00 0.00 175.17 175.11 1kya s LEU 8 N -1.14 3.69 -0.41 1.23 1.43 0.14 -4.92 118.68 118.70 1kya s LEU 8 Ca 0.17 -2.54 -0.25 0.00 -1.03 0.00 0.00 54.13 50.48 1kya s LEU 8 Cb -0.12 -1.37 0.02 0.00 0.03 0.00 0.00 46.19 44.75 1kya s LEU 8 CO 0.06 -0.30 0.89 -0.89 0.23 0.00 0.00 176.35 176.34 1kya s THR 9 N 0.40 4.57 -0.18 5.49 2.01 -1.26 -0.47 115.64 126.20 1kya s THR 9 Ca 0.15 0.93 -0.17 0.00 0.31 0.00 0.00 61.69 62.91 1kya s THR 9 Cb -0.23 -4.35 -0.04 0.00 0.01 0.00 0.00 72.50 67.90 1kya s THR 9 CO -0.05 -0.64 0.44 -0.63 -0.69 0.00 0.00 174.62 173.06 1kya s ILE 10 N 3.50 5.17 0.32 1.82 -1.09 0.17 -1.20 121.20 129.89 1kya s ILE 10 Ca 0.36 0.82 0.00 0.00 -2.23 0.00 0.00 60.65 59.60 1kya s ILE 10 Cb -0.11 -3.77 -0.01 0.00 -1.58 0.00 0.00 42.46 36.98 1kya s ILE 10 CO 0.21 0.25 0.37 0.42 -1.23 0.00 0.00 174.94 174.96 1kya s THR 11 N 1.25 0.00 0.02 2.92 -4.23 -0.53 -0.45 115.64 114.62 1kya s THR 11 Ca 0.22 -1.76 0.01 0.00 -1.18 0.00 0.00 61.69 58.97 1kya s THR 11 Cb -0.15 -2.55 -0.04 0.00 1.34 0.00 0.00 72.50 71.10 1kya s THR 11 CO 0.09 0.00 0.09 0.20 -0.54 0.00 0.00 174.62 174.46 1kya s ASN 12 N -3.26 5.72 -0.12 3.99 0.02 -1.26 0.11 114.94 120.14 1kya s ASN 12 Ca 0.34 0.12 -0.30 0.00 -1.02 0.00 0.00 52.86 52.00 1kya s ASN 12 Cb 0.01 -1.63 0.10 0.00 0.02 0.00 0.00 41.25 39.76 1kya s ASN 12 CO 0.21 0.24 0.87 0.00 0.02 0.00 0.00 177.10 178.44 1kya s ALA 13 N -1.28 -1.87 0.24 0.60 0.00 -0.73 -4.90 121.76 113.83 1kya s ALA 13 Ca 0.26 1.49 -0.30 0.00 0.00 0.00 0.00 51.96 53.41 1kya s ALA 13 Cb -0.12 -0.44 -0.09 0.00 0.00 0.00 0.00 23.12 22.47 1kya s ALA 13 CO 0.17 -0.33 1.08 0.00 0.00 0.00 0.00 175.76 176.69 1kya s ALA 14 N -1.12 3.39 0.12 0.00 0.00 -1.26 -1.04 121.76 121.85 1kya s ALA 14 Ca -0.05 0.84 -0.07 0.00 0.00 0.00 0.00 51.96 52.68 1kya s ALA 14 Cb -0.00 -3.32 -0.01 0.00 0.00 0.00 0.00 23.12 19.78 1kya s ALA 14 CO 0.05 -0.14 0.20 0.54 0.00 0.00 0.00 175.76 176.40 1kya s VAL 15 N -0.84 0.11 -0.43 0.00 0.11 0.41 -4.90 120.40 114.87 1kya s VAL 15 Ca 0.46 -1.41 0.08 0.00 -2.93 0.00 0.00 61.98 58.18 1kya s VAL 15 Cb -0.30 -1.66 0.30 0.00 -1.53 0.00 0.00 36.38 33.19 1kya s VAL 15 CO 0.38 -0.50 0.89 -1.54 -3.33 0.00 0.00 175.10 171.00 1kya n SER 16 N -0.12 -1.25 0.28 3.54 3.41 -1.26 -0.50 113.62 117.72 1kya n SER 16 Ca -0.10 -3.31 0.16 0.00 -0.26 0.00 0.00 58.87 55.36 1kya n SER 16 Cb 0.63 0.88 0.93 0.00 -0.26 0.00 0.00 64.21 66.38 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 3.32 0.00 -0.15 4.33 0.13 -1.82 -1.93 132.00 135.88 1kya h PRO 17 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1kya h PRO 17 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1kya h PRO 17 CO 0.31 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.68 1kya n ASP 18 N -3.74 2.60 0.00 1.44 5.75 -1.26 -2.82 116.55 118.53 1kya n ASP 18 Ca -0.02 -2.29 0.00 0.00 -0.01 0.00 0.00 54.79 52.47 1kya n ASP 18 Cb 0.15 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.03 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 -0.31 2.25 3.64 6.12 0.00 -0.72 -4.35 105.19 111.82 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 -2.57 3.30 0.03 1.61 5.36 -1.26 -4.98 117.98 119.46 1kya s PHE 20 Ca 0.00 0.40 -0.30 0.00 -0.96 0.00 0.00 56.93 56.07 1kya s PHE 20 Cb 0.00 -2.46 -0.04 0.00 -0.34 0.00 0.00 43.02 40.18 1kya s PHE 20 CO 0.00 -0.08 1.01 0.45 -1.46 0.00 0.00 175.22 175.14 1kya s SER 21 N 1.33 7.35 -0.14 6.13 0.15 -1.26 -4.05 113.70 123.20 1kya s SER 21 Ca 0.14 1.73 -0.25 0.00 0.70 0.00 0.00 55.95 58.26 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 -0.26 0.63 0.00 1.20 0.00 0.00 173.24 174.89 1kya s ARG 22 N 0.86 0.88 0.52 5.44 1.04 0.34 -4.92 118.95 123.12 1kya s ARG 22 Ca 0.52 0.55 -0.21 0.00 -1.04 0.00 0.00 55.73 55.55 1kya s ARG 22 Cb -0.23 0.42 -0.06 0.00 -2.04 0.00 0.00 34.95 33.04 1kya s ARG 22 CO 0.29 -0.20 1.17 -0.65 -0.04 0.00 0.00 175.30 175.86 1kya s GLN 23 N -0.43 3.41 0.35 3.89 -1.52 -1.26 -0.44 119.66 123.66 1kya s GLN 23 Ca -0.06 1.73 -0.17 0.00 -1.95 0.00 0.00 55.36 54.92 1kya s GLN 23 Cb -0.03 -2.14 0.05 0.00 -0.22 0.00 0.00 33.01 30.68 1kya s GLN 23 CO 0.05 -0.83 0.79 0.00 -0.25 0.00 0.00 175.29 175.05 1kya s ALA 24 N -1.64 -0.89 -0.24 6.09 0.00 -0.21 -4.88 121.76 119.99 1kya s ALA 24 Ca 0.71 -0.63 -0.15 0.00 0.00 0.00 0.00 51.96 51.88 1kya s ALA 24 Cb -0.27 0.71 -0.04 0.00 0.00 0.00 0.00 23.12 23.52 1kya s ALA 24 CO 0.32 -1.00 0.37 0.08 0.00 0.00 0.00 175.76 175.53 1kya s VAL 25 N -2.66 5.19 0.11 0.00 1.01 -0.32 -1.76 120.40 121.97 1kya s VAL 25 Ca 0.15 0.61 0.10 0.00 0.00 0.00 0.00 61.98 62.84 1kya s VAL 25 Cb -0.05 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 1kya s VAL 25 CO 0.10 0.20 -0.24 -0.69 0.00 0.00 0.00 175.10 174.47 1kya s VAL 26 N 1.73 2.44 -0.24 2.92 1.01 0.12 -3.37 120.40 125.01 1kya s VAL 26 Ca 0.16 -1.63 -0.03 0.00 0.00 0.00 0.00 61.98 60.49 1kya s VAL 26 Cb -0.15 -2.08 0.01 0.00 0.00 0.00 0.00 36.38 34.16 1kya s VAL 26 CO 0.09 0.13 -0.05 -0.69 0.00 0.00 0.00 175.10 174.58 1kya s VAL 27 N -1.05 3.11 -1.27 2.92 1.01 0.06 -1.45 120.40 123.72 1kya s VAL 27 Ca 0.15 -0.78 -0.03 0.00 0.00 0.00 0.00 61.98 61.32 1kya s VAL 27 Cb -0.10 -2.50 0.02 0.00 0.00 0.00 0.00 36.38 33.80 1kya s VAL 27 CO 0.07 0.30 0.20 0.59 0.00 0.00 0.00 175.10 176.26 1kya n ASN 28 N 4.73 -4.43 0.00 3.32 3.02 -0.34 -1.92 115.26 119.65 1kya n ASN 28 Ca -0.17 -0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.34 1kya n ASN 28 Cb 0.49 -3.70 0.00 0.00 -0.61 0.00 0.00 39.78 35.96 1kya n ASN 28 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kya n GLY 29 N -1.02 3.27 3.25 7.41 0.00 -1.26 -5.02 105.19 111.82 1kya n GLY 29 Ca -0.12 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.84 1.13 0.00 -0.02 0.00 -0.81 -4.99 107.32 99.79 1kya s GLY 30 Ca 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 44.72 43.48 1kya s GLY 30 CO 0.00 -1.27 0.47 2.41 0.00 0.00 0.00 173.10 174.71 1kya n THR 31 N 0.85 0.00 -1.54 0.90 -1.04 -1.26 -0.76 114.28 111.43 1kya n THR 31 Ca -0.18 0.93 -0.32 0.00 -2.04 0.00 0.00 64.05 62.44 1kya n THR 31 Cb 0.55 -1.84 -0.09 0.00 -1.82 0.00 0.00 70.33 67.14 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 -1.71 0.60 -0.78 -2.82 -0.02 -1.26 -4.13 135.00 124.88 1kya n PRO 32 Ca 0.00 -0.17 -0.34 0.00 -2.02 0.00 0.00 63.50 60.98 1kya n PRO 32 Cb 0.00 -2.81 0.13 0.00 -0.02 0.00 0.00 33.50 30.80 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 6.23 -2.57 3.76 -1.23 0.00 0.29 -4.89 105.19 106.78 1kya n GLY 33 Ca 0.49 -0.71 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 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 -3.25 3.55 -0.04 1.61 0.02 -1.26 -4.38 135.00 131.25 1kya s PRO 34 Ca 0.53 2.23 -0.30 0.00 0.02 0.00 0.00 61.00 63.48 1kya s PRO 34 Cb -0.14 -2.50 -0.05 0.00 0.02 0.00 0.00 34.50 31.82 1kya s PRO 34 CO 0.68 -0.87 1.53 -1.17 -0.33 0.00 0.00 177.00 176.85 1kya s LEU 35 N -2.99 4.31 -0.17 -5.54 2.96 -1.26 -4.44 118.68 111.54 1kya s LEU 35 Ca 0.64 2.17 -0.11 0.00 -0.22 0.00 0.00 54.13 56.61 1kya s LEU 35 Cb -0.40 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 42.70 1kya s LEU 35 CO 0.49 -0.84 0.19 -0.63 -1.32 0.00 0.00 176.35 174.24 1kya s ILE 36 N 3.32 5.38 0.18 6.68 1.01 -0.44 -2.81 121.20 134.53 1kya s ILE 36 Ca 0.68 0.32 0.01 0.00 0.00 0.00 0.00 60.65 61.67 1kya s ILE 36 Cb -0.32 -3.52 -0.05 0.00 0.01 0.00 0.00 42.46 38.59 1kya s ILE 36 CO 0.27 0.45 0.03 0.42 0.00 0.00 0.00 174.94 176.12 1kya s THR 37 N 0.15 0.56 -0.10 2.92 -4.23 -1.23 -0.29 115.64 113.43 1kya s THR 37 Ca 0.12 -1.98 -0.32 0.00 -1.18 0.00 0.00 61.69 58.34 1kya s THR 37 Cb -0.12 -2.22 0.12 0.00 1.34 0.00 0.00 72.50 71.61 1kya s THR 37 CO 0.01 -0.37 1.40 -0.83 -0.54 0.00 0.00 174.62 174.29 1kya s GLY 38 N -3.18 -0.31 0.16 3.99 0.00 -0.94 -3.13 107.32 103.90 1kya s GLY 38 Ca 0.27 0.42 0.07 0.00 0.00 0.00 0.00 44.72 45.48 1kya s GLY 38 CO 0.06 4.85 0.01 -1.31 0.00 0.00 0.00 173.10 176.71 1kya s ASN 39 N -3.67 4.90 0.15 1.64 0.01 -1.26 -0.28 114.94 116.43 1kya s ASN 39 Ca 0.27 -0.33 -0.34 0.00 -0.71 0.00 0.00 52.86 51.75 1kya s ASN 39 Cb 0.03 -1.09 -0.15 0.00 0.41 0.00 0.00 41.25 40.44 1kya s ASN 39 CO -0.04 0.10 1.46 0.80 -1.51 0.00 0.00 177.10 177.91 1kya n MET 40 N -0.02 1.79 0.00 -0.60 0.00 0.54 -0.90 117.12 117.93 1kya n MET 40 Ca -0.10 0.65 0.00 0.00 -0.00 0.00 0.00 57.70 58.25 1kya n MET 40 Cb 0.54 -2.34 0.00 0.00 0.00 0.00 0.00 33.22 31.42 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 2.88 3.28 3.69 -5.12 0.00 0.18 -4.94 105.19 105.16 1kya n GLY 41 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 1kya n GLY 41 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1kya n ASP 42 N 0.00 1.41 -4.57 1.61 9.92 -0.08 -4.57 116.55 120.27 1kya n ASP 42 Ca 0.00 0.72 -0.39 0.00 -0.53 0.00 0.00 54.79 54.59 1kya n ASP 42 Cb 0.00 -1.51 -0.11 0.00 -0.64 0.00 0.00 41.12 38.86 1kya n ASP 42 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1kya s ARG 43 N -3.60 3.81 -0.13 -1.24 3.52 -1.26 -1.95 118.95 118.10 1kya s ARG 43 Ca 0.78 -0.37 -0.17 0.00 -0.13 0.00 0.00 55.73 55.84 1kya s ARG 43 Cb -0.34 -3.71 -0.04 0.00 -1.56 0.00 0.00 34.95 29.29 1kya s ARG 43 CO 0.46 -0.28 0.41 -0.06 -0.81 0.00 0.00 175.30 175.01 1kya s PHE 44 N 1.80 3.50 -0.46 5.12 0.40 0.16 -4.62 117.98 123.87 1kya s PHE 44 Ca 0.08 0.79 0.03 0.00 -0.60 0.00 0.00 56.93 57.22 1kya s PHE 44 Cb -0.16 -2.47 0.14 0.00 0.51 0.00 0.00 43.02 41.03 1kya s PHE 44 CO 0.11 0.20 0.28 -0.65 0.70 0.00 0.00 175.22 175.85 1kya s GLN 45 N 0.55 1.37 -0.41 0.44 -0.21 -0.44 -1.23 119.66 119.72 1kya s GLN 45 Ca 0.23 -2.16 -0.13 0.00 0.02 0.00 0.00 55.36 53.31 1kya s GLN 45 Cb -0.14 -2.35 0.04 0.00 1.00 0.00 0.00 33.01 31.56 1kya s GLN 45 CO 0.08 -1.20 0.29 -0.51 -2.12 0.00 0.00 175.29 171.83 1kya s LEU 46 N 0.13 5.11 -0.42 2.90 1.43 -0.08 -1.98 118.68 125.78 1kya s LEU 46 Ca 0.20 -1.09 -0.22 0.00 -1.03 0.00 0.00 54.13 51.99 1kya s LEU 46 Cb -0.19 -2.11 0.02 0.00 0.03 0.00 0.00 46.19 43.94 1kya s LEU 46 CO -0.04 -0.48 0.74 0.21 0.23 0.00 0.00 176.35 177.01 1kya s ASN 47 N 1.89 6.42 -0.42 2.29 2.47 -0.33 -1.08 114.94 126.19 1kya s ASN 47 Ca 0.04 -0.04 -0.20 0.00 0.42 0.00 0.00 52.86 53.08 1kya s ASN 47 Cb -0.21 -2.37 0.02 0.00 -1.45 0.00 0.00 41.25 37.24 1kya s ASN 47 CO 0.07 -0.82 0.63 -0.69 -3.72 0.00 0.00 177.10 172.58 1kya s VAL 48 N 3.10 4.86 -0.44 -5.21 1.01 -0.32 0.23 120.40 123.63 1kya s VAL 48 Ca 0.28 0.20 -0.15 0.00 0.00 0.00 0.00 61.98 62.31 1kya s VAL 48 Cb -0.13 -4.16 0.04 0.00 0.00 0.00 0.00 36.38 32.13 1kya s VAL 48 CO 0.20 -0.52 0.34 -0.63 0.00 0.00 0.00 175.10 174.49 1kya s ILE 49 N 2.76 5.25 -0.61 2.22 1.01 0.38 -1.62 121.20 130.59 1kya s ILE 49 Ca 0.22 -0.82 -0.23 0.00 0.00 0.00 0.00 60.65 59.82 1kya s ILE 49 Cb -0.14 -4.01 0.06 0.00 0.01 0.00 0.00 42.46 38.37 1kya s ILE 49 CO 0.18 -0.42 0.95 -0.62 0.00 0.00 0.00 174.94 175.03 1kya s ASP 50 N 2.05 6.25 -0.30 3.58 3.68 -0.52 0.42 116.67 131.82 1kya s ASP 50 Ca 0.05 -0.68 0.07 0.00 2.13 0.00 0.00 52.55 54.12 1kya s ASP 50 Cb -0.21 -2.43 0.45 0.00 -1.45 0.00 0.00 42.92 39.29 1kya s ASP 50 CO 0.09 -1.34 1.25 0.59 0.13 0.00 0.00 175.17 175.89 1kya n ASN 51 N 7.60 4.43 -4.80 -0.34 3.02 0.40 -0.24 115.26 125.34 1kya n ASN 51 Ca -0.01 -3.78 -0.33 0.00 -0.03 0.00 0.00 54.58 50.43 1kya n ASN 51 Cb 0.46 -0.41 0.01 0.00 -0.61 0.00 0.00 39.78 39.23 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 -3.54 3.48 0.00 3.41 1.43 -1.17 -4.54 118.68 117.75 1kya s LEU 52 Ca 0.49 1.82 0.00 0.00 -1.03 0.00 0.00 54.13 55.41 1kya s LEU 52 Cb 0.41 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 42.10 1kya s LEU 52 CO 0.02 -1.19 0.02 0.35 0.23 0.00 0.00 176.35 175.78 1kya n THR 53 N -2.08 0.00 -3.34 5.49 -2.24 -1.26 -4.77 114.28 106.08 1kya n THR 53 Ca 0.09 -0.07 -0.45 0.00 -2.27 0.00 0.00 64.05 61.35 1kya n THR 53 Cb 0.53 1.30 -0.07 0.00 -2.10 0.00 0.00 70.33 69.99 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 -0.09 6.17 0.28 3.42 3.84 -1.26 -4.95 114.94 122.35 1kya s ASN 54 Ca 0.00 -1.42 -0.03 0.00 0.21 0.00 0.00 52.86 51.62 1kya s ASN 54 Cb 0.00 -2.20 0.41 0.00 -0.55 0.00 0.00 41.25 38.90 1kya s ASN 54 CO 0.00 -0.74 1.94 -0.74 -2.79 0.00 0.00 177.10 174.77 1kya h HIS 55 N 8.83 1.11 0.00 0.43 -0.00 -1.91 -1.75 115.15 121.87 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 1.11 -0.37 -0.00 0.00 -0.00 0.00 0.00 27.41 28.14 1kya h HIS 55 CO 0.68 0.67 -0.00 1.79 -0.00 0.00 0.00 177.93 181.07 1kya h THR 56 N 1.17 0.03 -0.20 6.26 1.35 -1.96 0.47 112.91 120.03 1kya h THR 56 Ca 0.35 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 66.06 1kya h THR 56 Cb -0.06 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 67.50 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 -3.12 1.84 -1.68 4.72 2.81 -0.99 -4.62 117.12 116.08 1kya n MET 57 Ca -0.02 -1.66 -0.01 0.00 -1.81 0.00 0.00 57.70 54.20 1kya n MET 57 Cb 0.13 -1.25 -0.01 0.00 -0.71 0.00 0.00 33.22 31.39 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 0.57 -2.70 0.06 4.03 4.77 0.16 -4.83 117.00 119.06 1kya n LEU 58 Ca 0.09 0.37 0.03 0.00 -0.03 0.00 0.00 56.01 56.48 1kya n LEU 58 Cb 0.36 -1.38 0.18 0.00 -2.33 0.00 0.00 43.42 40.25 1kya n LEU 58 CO 0.08 -0.65 0.61 0.29 -1.33 0.00 0.00 177.39 176.39 1kya n LYS 59 N 0.26 0.04 -3.21 3.23 5.02 -1.20 -4.55 118.16 117.76 1kya n LYS 59 Ca -0.06 0.49 -0.23 0.00 -2.02 0.00 0.00 58.31 56.48 1kya n LYS 59 Cb 0.10 -1.74 -0.00 0.00 -0.02 0.00 0.00 35.03 33.37 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 -3.18 6.06 0.18 4.39 0.01 -1.26 -3.50 113.70 116.41 1kya s SER 60 Ca -0.01 0.32 -0.21 0.00 1.31 0.00 0.00 55.95 57.37 1kya s SER 60 Cb 0.02 -1.74 0.05 0.00 0.21 0.00 0.00 66.02 64.56 1kya s SER 60 CO 0.06 -0.49 0.59 0.28 0.41 0.00 0.00 173.24 174.09 1kya s THR 61 N -2.41 0.01 -0.19 1.44 -1.32 -1.01 -4.94 115.64 107.22 1kya s THR 61 Ca 0.44 -0.35 -0.17 0.00 -1.21 0.00 0.00 61.69 60.40 1kya s THR 61 Cb -0.10 -1.27 0.05 0.00 -1.51 0.00 0.00 72.50 69.67 1kya s THR 61 CO 0.36 -0.05 0.51 -0.55 -2.21 0.00 0.00 174.62 172.68 1kya s SER 62 N -2.80 -0.55 -0.09 8.08 0.15 -1.26 0.12 113.70 117.34 1kya s SER 62 Ca 0.04 1.04 0.04 0.00 0.70 0.00 0.00 55.95 57.77 1kya s SER 62 Cb -0.02 1.03 0.00 0.00 -1.71 0.00 0.00 66.02 65.33 1kya s SER 62 CO -0.08 -0.18 -0.22 -0.63 1.20 0.00 0.00 173.24 173.33 1kya s ILE 63 N 0.42 1.91 -0.06 6.45 1.01 -1.26 -0.36 121.20 129.31 1kya s ILE 63 Ca -0.01 -0.93 -0.04 0.00 0.00 0.00 0.00 60.65 59.67 1kya s ILE 63 Cb -0.04 -1.65 -0.04 0.00 0.01 0.00 0.00 42.46 40.74 1kya s ILE 63 CO -0.01 0.53 0.12 -2.28 0.00 0.00 0.00 174.94 173.29 1kya s HIS 64 N 0.36 3.45 -0.68 3.97 5.65 -0.73 -3.82 115.29 123.49 1kya s HIS 64 Ca -0.17 0.36 -0.09 0.00 0.25 0.00 0.00 55.06 55.40 1kya s HIS 64 Cb -0.17 -1.84 0.18 0.00 -1.18 0.00 0.00 32.58 29.56 1kya s HIS 64 CO 0.08 0.63 0.57 -1.58 -0.65 0.00 0.00 174.74 173.79 1kya s TRP 65 N -1.12 3.56 -0.04 3.88 0.52 -1.25 -2.45 118.94 122.04 1kya s TRP 65 Ca 0.20 -2.20 -0.31 0.00 0.02 0.00 0.00 56.10 53.80 1kya s TRP 65 Cb -0.12 -3.54 -0.09 0.00 -1.15 0.00 0.00 33.47 28.57 1kya s TRP 65 CO 0.10 -0.94 2.00 1.58 0.02 0.00 0.00 176.95 179.71 1kya n HIS 66 N 4.01 2.36 0.00 -1.98 -0.00 0.12 -2.72 115.22 117.00 1kya n HIS 66 Ca 0.07 -0.24 0.00 0.00 0.46 0.00 0.00 57.72 58.01 1kya n HIS 66 Cb 0.42 -2.75 0.00 0.00 -0.12 0.00 0.00 29.99 27.54 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 4.78 2.48 3.71 1.57 0.00 -1.26 -3.65 105.19 112.82 1kya n GLY 67 Ca 0.23 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.34 3.19 0.34 1.61 0.08 -1.10 -4.90 117.98 115.86 1kya s PHE 68 Ca 0.00 0.93 0.22 0.00 0.12 0.00 0.00 56.93 58.20 1kya s PHE 68 Cb 0.00 -3.68 1.09 0.00 -0.57 0.00 0.00 43.02 39.86 1kya s PHE 68 CO 0.00 -2.39 1.94 0.74 -0.10 0.00 0.00 175.22 175.41 1kya h PHE 69 N 6.95 0.00 -3.39 0.36 0.04 -1.90 -3.41 116.94 115.60 1kya h PHE 69 Ca -0.42 0.00 -0.33 0.00 2.80 0.00 0.00 57.97 60.02 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 0.67 0.23 -0.43 1.04 -0.60 0.00 0.00 178.31 179.22 1kya n GLN 70 N -3.75 -1.94 -1.68 1.51 1.13 -1.26 -4.46 117.38 106.93 1kya n GLN 70 Ca -0.01 0.81 -0.44 0.00 -1.94 0.00 0.00 57.00 55.42 1kya n GLN 70 Cb 0.33 -5.45 -0.03 0.00 0.11 0.00 0.00 30.24 25.20 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 -2.91 2.64 -0.20 -1.09 4.81 -1.26 0.05 118.16 120.21 1kya n LYS 71 Ca -0.20 0.96 0.00 0.00 -0.87 0.00 0.00 58.31 58.21 1kya n LYS 71 Cb 0.65 -2.86 0.00 0.00 0.02 0.00 0.00 35.03 32.84 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 4.29 1.51 2.60 3.14 0.00 -1.26 -4.87 105.19 110.60 1kya n GLY 72 Ca 0.19 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 1.55 -0.06 2.61 -2.24 0.11 -4.29 114.28 109.96 1kya n THR 73 Ca 0.00 -3.41 0.23 0.00 -2.27 0.00 0.00 64.05 58.60 1kya n THR 73 Cb 0.00 0.41 0.71 0.00 -2.10 0.00 0.00 70.33 69.35 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 2.63 0.00 0.53 3.42 -1.24 -1.86 0.05 115.58 119.10 1kya h ASN 74 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.02 1kya h ASN 74 Cb 1.26 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.31 1kya h ASN 74 CO 0.44 0.00 0.00 -2.67 -1.29 0.00 0.00 177.43 173.91 1kya n TRP 75 N -4.27 0.53 -0.13 0.67 4.27 -1.26 -2.35 117.44 114.90 1kya n TRP 75 Ca 0.13 0.22 0.09 0.00 -3.89 0.00 0.00 57.50 54.05 1kya n TRP 75 Cb 0.74 -0.85 0.22 0.00 -1.36 0.00 0.00 31.31 30.05 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 -1.68 2.31 0.20 -1.67 0.00 0.00 -4.52 120.51 115.15 1kya n ALA 76 Ca 0.02 -1.14 0.04 0.00 0.00 0.00 0.00 53.44 52.36 1kya n ALA 76 Cb 0.17 -0.68 0.42 0.00 0.00 0.00 0.00 19.45 19.36 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 3.27 0.00 0.00 0.00 3.58 -1.57 -3.43 116.42 118.27 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 0.85 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.90 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 -0.68 3.10 3.47 -0.78 0.00 -1.25 -3.76 105.19 105.29 1kya n GLY 78 Ca -0.02 -0.89 -0.63 0.00 0.00 0.00 0.00 46.02 44.48 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 0.08 -1.88 1.61 -0.02 -1.26 -4.44 135.00 129.09 1kya n PRO 79 Ca 0.00 0.03 -0.42 0.00 -2.02 0.00 0.00 63.50 61.09 1kya n PRO 79 Cb 0.00 -1.56 -0.03 0.00 -0.02 0.00 0.00 33.50 31.89 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 4.76 3.82 0.00 3.55 0.00 -1.01 -1.34 121.76 131.55 1kya s ALA 80 Ca 1.13 1.42 0.00 0.00 0.00 0.00 0.00 51.96 54.51 1kya s ALA 80 Cb -1.46 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 18.01 1kya s ALA 80 CO 0.72 -0.84 0.00 1.19 0.00 0.00 0.00 175.76 176.82 1kya n PHE 81 N 4.10 0.00 -0.03 0.00 3.72 0.12 -4.76 117.46 120.60 1kya n PHE 81 Ca 0.15 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.47 1kya n PHE 81 Cb 0.38 -0.81 -0.03 0.00 -0.94 0.00 0.00 39.48 38.08 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 -2.37 0.95 0.10 4.37 -0.00 -0.81 -2.09 119.36 119.51 1kya n ILE 82 Ca 0.00 0.06 0.01 0.00 -0.00 0.00 0.00 62.75 62.82 1kya n ILE 82 Cb 0.15 -1.76 0.01 0.00 -0.00 0.00 0.00 39.64 38.03 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 -3.68 1.07 -3.61 4.38 4.13 -0.45 -0.85 115.26 116.25 1kya n ASN 83 Ca -0.14 -1.03 -0.01 0.00 1.68 0.00 0.00 54.58 55.08 1kya n ASN 83 Cb 0.45 0.12 -0.01 0.00 -1.54 0.00 0.00 39.78 38.80 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 -0.33 0.25 0.26 3.52 -2.07 -1.22 -4.53 119.66 115.53 1kya s GLN 84 Ca 0.03 -0.12 -0.04 0.00 -1.82 0.00 0.00 55.36 53.41 1kya s GLN 84 Cb 0.02 0.10 -0.05 0.00 -1.09 0.00 0.00 33.01 31.99 1kya s GLN 84 CO 0.04 -0.11 0.50 0.00 -1.32 0.00 0.00 175.29 174.39 1kya s PRO 86 N -3.43 1.36 0.44 0.00 0.02 -1.26 -4.80 135.00 127.33 1kya s PRO 86 Ca 0.42 1.69 -0.21 0.00 0.02 0.00 0.00 61.00 62.92 1kya s PRO 86 Cb -0.11 -1.75 -0.11 0.00 0.02 0.00 0.00 34.50 32.55 1kya s PRO 86 CO 0.29 -2.41 0.96 0.42 -0.33 0.00 0.00 177.00 175.93 1kya s ILE 87 N -2.34 4.35 0.06 2.83 1.01 0.12 -4.75 121.20 122.48 1kya s ILE 87 Ca 0.71 1.44 0.00 0.00 0.00 0.00 0.00 60.65 62.80 1kya s ILE 87 Cb -0.27 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 1kya s ILE 87 CO 0.54 -0.34 0.18 -0.44 0.00 0.00 0.00 174.94 174.87 1kya s SER 88 N -2.24 6.20 0.49 3.58 0.01 -1.26 -2.41 113.70 118.07 1kya s SER 88 Ca 0.62 0.22 -0.23 0.00 1.31 0.00 0.00 55.95 57.88 1kya s SER 88 Cb -0.10 -1.87 -0.07 0.00 0.21 0.00 0.00 66.02 64.19 1kya s SER 88 CO 0.15 0.18 1.22 -0.24 0.41 0.00 0.00 173.24 174.96 1kya n SER 89 N 0.39 2.18 0.00 2.44 2.88 -1.23 -1.34 113.62 118.94 1kya n SER 89 Ca -0.06 1.01 0.00 0.00 -1.33 0.00 0.00 58.87 58.49 1kya n SER 89 Cb 0.51 -1.49 0.00 0.00 -0.75 0.00 0.00 64.21 62.48 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 0.91 0.78 3.33 0.46 0.00 0.67 -5.01 105.19 106.33 1kya n GLY 90 Ca 0.09 0.00 -0.17 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 -3.06 1.59 0.10 1.61 4.02 -0.45 -5.01 115.29 114.09 1kya s HIS 91 Ca 0.00 -0.73 0.03 0.00 1.02 0.00 0.00 55.06 55.39 1kya s HIS 91 Cb 0.00 -0.83 -0.04 0.00 -1.02 0.00 0.00 32.58 30.69 1kya s HIS 91 CO 0.00 0.18 -0.10 -1.54 1.02 0.00 0.00 174.74 174.30 1kya s SER 92 N -3.29 1.40 -0.01 1.40 1.04 -1.26 -1.44 113.70 111.53 1kya s SER 92 Ca 0.23 -0.83 -0.01 0.00 0.48 0.00 0.00 55.95 55.82 1kya s SER 92 Cb 0.02 0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.16 1kya s SER 92 CO 0.06 -0.29 0.03 0.12 0.98 0.00 0.00 173.24 174.14 1kya s PHE 93 N -2.58 0.00 -0.30 5.02 5.36 -0.64 -4.99 117.98 119.85 1kya s PHE 93 Ca 0.06 0.00 -0.12 0.00 -0.96 0.00 0.00 56.93 55.91 1kya s PHE 93 Cb -0.02 -0.02 -0.04 0.00 -0.34 0.00 0.00 43.02 42.60 1kya s PHE 93 CO -0.01 -0.05 0.21 -1.17 -1.46 0.00 0.00 175.22 172.74 1kya s LEU 94 N -0.23 4.18 -0.42 6.12 2.96 -1.26 -1.18 118.68 128.85 1kya s LEU 94 Ca -0.03 -0.13 -0.20 0.00 -0.22 0.00 0.00 54.13 53.56 1kya s LEU 94 Cb -0.02 -2.13 0.02 0.00 0.50 0.00 0.00 46.19 44.56 1kya s LEU 94 CO -0.00 -0.11 0.58 -0.31 -1.32 0.00 0.00 176.35 175.19 1kya s TYR 95 N 1.76 3.11 -0.27 5.38 1.51 -0.24 -4.97 117.35 123.62 1kya s TYR 95 Ca 0.07 -0.05 0.01 0.00 -1.01 0.00 0.00 57.07 56.09 1kya s TYR 95 Cb -0.16 -3.19 0.08 0.00 -0.11 0.00 0.00 41.96 38.58 1kya s TYR 95 CO 0.11 -0.77 0.00 0.34 -1.11 0.00 0.00 175.55 174.12 1kya s ASP 96 N 1.92 4.09 0.12 2.29 2.15 -1.26 -0.90 116.67 125.08 1kya s ASP 96 Ca 0.20 -1.50 -0.08 0.00 0.43 0.00 0.00 52.55 51.61 1kya s ASP 96 Cb -0.15 -1.20 -0.01 0.00 -0.30 0.00 0.00 42.92 41.26 1kya s ASP 96 CO 0.17 -0.31 0.21 0.72 -0.17 0.00 0.00 175.17 175.79 1kya s PHE 97 N 1.34 0.32 0.08 -5.34 -0.12 -0.37 -4.99 117.98 108.90 1kya s PHE 97 Ca 0.01 -0.73 0.05 0.00 -0.05 0.00 0.00 56.93 56.22 1kya s PHE 97 Cb -0.19 -0.11 -0.04 0.00 -0.63 0.00 0.00 43.02 42.06 1kya s PHE 97 CO -0.11 -0.61 -0.04 -0.65 -0.05 0.00 0.00 175.22 173.77 1kya s GLN 98 N -3.92 2.44 -0.66 1.99 -0.21 -1.26 0.39 119.66 118.42 1kya s GLN 98 Ca 0.11 -0.87 0.05 0.00 0.02 0.00 0.00 55.36 54.68 1kya s GLN 98 Cb 0.05 -2.48 0.19 0.00 1.00 0.00 0.00 33.01 31.77 1kya s GLN 98 CO -0.06 0.54 0.55 0.28 -2.12 0.00 0.00 175.29 174.49 1kya n VAL 99 N 0.74 1.56 -3.92 1.09 0.31 -0.82 -4.84 118.33 112.45 1kya n VAL 99 Ca -0.12 -4.84 -0.21 0.00 -0.01 0.00 0.00 64.34 59.16 1kya n VAL 99 Cb 0.52 -2.12 -0.02 0.00 -0.91 0.00 0.00 33.84 31.31 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 -1.62 3.44 0.00 5.55 0.04 -1.26 0.50 135.00 141.65 1kya s PRO 100 Ca 0.30 -0.73 0.00 0.00 0.04 0.00 0.00 61.00 60.61 1kya s PRO 100 Cb 0.02 -2.87 0.00 0.00 0.04 0.00 0.00 34.50 31.69 1kya s PRO 100 CO -0.13 0.40 0.00 -0.40 0.04 0.00 0.00 177.00 176.91 1kya n ASP 101 N -1.44 -3.87 -4.03 6.66 5.75 -1.26 -4.89 116.55 113.47 1kya n ASP 101 Ca -0.09 0.00 -0.18 0.00 -0.01 0.00 0.00 54.79 54.52 1kya n ASP 101 Cb 0.57 -2.83 -0.14 0.00 -1.03 0.00 0.00 41.12 37.69 1kya n ASP 101 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1kya s GLN 102 N -1.48 0.68 -0.28 0.11 -0.21 -1.26 -5.14 119.66 112.08 1kya s GLN 102 Ca 0.00 -0.41 -0.20 0.00 0.02 0.00 0.00 55.36 54.77 1kya s GLN 102 Cb 0.00 -0.64 0.12 0.00 1.00 0.00 0.00 33.01 33.49 1kya s GLN 102 CO 0.00 0.17 0.94 0.00 -2.12 0.00 0.00 175.29 174.27 1kya s ALA 103 N -0.42 -2.07 0.00 6.09 0.00 -1.26 -4.56 121.76 119.54 1kya s ALA 103 Ca 0.01 2.11 0.00 0.00 0.00 0.00 0.00 51.96 54.08 1kya s ALA 103 Cb -0.05 -1.53 0.00 0.00 0.00 0.00 0.00 23.12 21.54 1kya s ALA 103 CO -0.00 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 175.86 1kya n GLY 104 N 3.17 0.05 3.67 0.00 0.00 -0.15 -4.75 105.19 107.19 1kya n GLY 104 Ca -0.16 -1.16 -0.35 0.00 0.00 0.00 0.00 46.02 44.35 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 -3.90 4.82 0.00 2.61 2.01 -1.26 -1.74 115.64 118.18 1kya s THR 105 Ca 0.00 -0.03 0.00 0.00 0.31 0.00 0.00 61.69 61.97 1kya s THR 105 Cb 0.00 -3.14 0.00 0.00 0.01 0.00 0.00 72.50 69.37 1kya s THR 105 CO 0.00 0.50 0.00 0.49 -0.69 0.00 0.00 174.62 174.92 1kya n PHE 106 N 3.16 0.00 -3.58 4.92 3.72 0.21 -4.07 117.46 121.82 1kya n PHE 106 Ca -0.17 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.16 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 -1.58 -0.27 0.17 1.38 1.48 -1.24 -1.22 118.94 117.66 1kya s TRP 107 Ca 0.00 0.09 0.09 0.00 -1.06 0.00 0.00 56.10 55.22 1kya s TRP 107 Cb 0.00 0.56 -0.04 0.00 -1.16 0.00 0.00 33.47 32.83 1kya s TRP 107 CO 0.00 -0.60 -0.18 1.52 -4.06 0.00 0.00 176.95 173.63 1kya s TYR 108 N -3.11 1.85 -0.22 1.66 1.13 0.80 -0.70 117.35 118.75 1kya s TYR 108 Ca 0.07 -0.46 -0.30 0.00 -1.41 0.00 0.00 57.07 54.97 1kya s TYR 108 Cb -0.01 -0.92 0.16 0.00 -1.10 0.00 0.00 41.96 40.09 1kya s TYR 108 CO -0.06 0.34 1.18 -3.38 -2.51 0.00 0.00 175.55 171.13 1kya s HIS 109 N -2.06 -0.20 0.44 -3.49 -3.43 -1.02 -0.55 115.29 104.97 1kya s HIS 109 Ca 0.16 0.34 -0.24 0.00 -0.80 0.00 0.00 55.06 54.52 1kya s HIS 109 Cb -0.06 0.47 -0.10 0.00 -1.43 0.00 0.00 32.58 31.47 1kya s HIS 109 CO 0.07 -0.19 1.00 0.45 -2.00 0.00 0.00 174.74 174.07 1kya n SER 110 N 0.60 1.18 -2.07 7.38 2.88 0.15 -1.77 113.62 121.98 1kya n SER 110 Ca -0.05 1.01 -0.17 0.00 -1.33 0.00 0.00 58.87 58.33 1kya n SER 110 Cb 0.58 -1.35 0.04 0.00 -0.75 0.00 0.00 64.21 62.73 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 -0.60 2.25 -4.07 0.66 -0.00 0.52 -4.33 115.22 109.66 1kya n HIS 111 Ca 0.10 -2.13 -0.32 0.00 0.46 0.00 0.00 57.72 55.82 1kya n HIS 111 Cb 0.40 -0.31 -0.15 0.00 -0.12 0.00 0.00 29.99 29.81 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 -3.56 3.20 0.00 0.27 2.96 -1.26 -2.39 118.68 117.90 1kya s LEU 112 Ca 0.45 -1.27 0.00 0.00 -0.22 0.00 0.00 54.13 53.09 1kya s LEU 112 Cb 0.39 -1.52 0.00 0.00 0.50 0.00 0.00 46.19 45.56 1kya s LEU 112 CO 0.01 -0.16 0.00 -0.24 -1.32 0.00 0.00 176.35 174.64 1kya n SER 113 N 4.47 0.00 -1.26 3.68 2.88 -1.26 -2.02 113.62 120.12 1kya n SER 113 Ca -0.15 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.46 1kya n SER 113 Cb 0.43 0.00 0.27 0.00 -0.75 0.00 0.00 64.21 64.16 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 1.36 -0.04 2.46 -2.24 -1.26 -4.58 114.28 109.98 1kya n THR 114 Ca 0.00 -0.87 0.23 0.00 -2.27 0.00 0.00 64.05 61.13 1kya n THR 114 Cb 0.00 0.02 0.71 0.00 -2.10 0.00 0.00 70.33 68.95 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 3.04 0.00 0.00 -0.78 4.15 -1.72 -0.25 115.11 119.55 1kya h GLN 115 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1kya h GLN 115 Cb 1.15 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.84 1kya h GLN 115 CO 0.18 0.00 0.00 0.10 -1.93 0.00 0.00 178.83 177.18 1kya h TYR 116 N 0.00 0.00 -0.06 3.99 -0.00 -1.79 -1.84 116.97 117.27 1kya h TYR 116 Ca 0.29 0.00 -0.14 0.00 0.00 0.00 0.00 58.73 58.89 1kya h TYR 116 Cb 1.21 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.93 1kya h TYR 116 CO 0.00 0.00 -0.59 0.00 -0.00 0.00 0.00 178.16 177.57 1kya n ASP 118 N -3.88 0.00 0.00 0.00 8.00 -0.69 -4.84 116.55 115.14 1kya n ASP 118 Ca -0.02 -1.12 0.00 0.00 0.71 0.00 0.00 54.79 54.36 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 0.76 1.27 3.57 0.44 0.00 -1.01 -1.17 105.19 109.05 1kya n GLY 119 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 3.64 -0.23 0.99 2.96 -1.22 -4.36 118.68 120.47 1kya s LEU 120 Ca 0.00 -2.01 -0.26 0.00 -0.22 0.00 0.00 54.13 51.63 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 -1.51 0.75 0.00 -1.32 0.00 0.00 176.35 174.27 1kya s ARG 121 N 4.76 0.84 0.17 1.98 1.70 -1.26 -0.67 118.95 126.47 1kya s ARG 121 Ca 0.54 0.82 -0.23 0.00 -0.47 0.00 0.00 55.73 56.39 1kya s ARG 121 Cb 0.02 0.41 0.07 0.00 -0.57 0.00 0.00 34.95 34.87 1kya s ARG 121 CO 0.03 -0.14 0.61 0.20 -1.08 0.00 0.00 175.30 174.92 1kya s GLY 122 N 0.07 -0.59 0.35 3.88 0.00 0.28 0.10 107.32 111.42 1kya s GLY 122 Ca -0.02 0.44 -0.25 0.00 0.00 0.00 0.00 44.72 44.90 1kya s GLY 122 CO 0.02 0.14 0.99 2.56 0.00 0.00 0.00 173.10 176.82 1kya s PRO 123 N -3.76 4.41 -0.11 2.90 0.04 -1.26 -0.14 135.00 137.08 1kya s PRO 123 Ca 0.02 1.42 -0.01 0.00 0.04 0.00 0.00 61.00 62.46 1kya s PRO 123 Cb -0.01 -2.70 0.03 0.00 0.04 0.00 0.00 34.50 31.87 1kya s PRO 123 CO -0.12 0.10 -0.01 0.12 0.04 0.00 0.00 177.00 177.13 1kya s PHE 124 N -1.63 0.96 -0.08 0.56 2.19 -0.36 -1.33 117.98 118.29 1kya s PHE 124 Ca 0.53 -0.46 0.04 0.00 0.33 0.00 0.00 56.93 57.38 1kya s PHE 124 Cb -0.20 -0.96 0.00 0.00 -1.31 0.00 0.00 43.02 40.55 1kya s PHE 124 CO 0.26 -0.43 -0.20 0.08 1.83 0.00 0.00 175.22 176.75 1kya s VAL 125 N 1.88 1.75 -0.30 3.12 1.01 0.61 0.64 120.40 129.11 1kya s VAL 125 Ca 0.04 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.16 1kya s VAL 125 Cb -0.13 -1.52 0.06 0.00 0.00 0.00 0.00 36.38 34.79 1kya s VAL 125 CO -0.06 0.49 -0.02 -0.69 0.00 0.00 0.00 175.10 174.82 1kya s VAL 126 N 0.30 2.68 0.57 2.92 1.01 -0.71 -2.20 120.40 124.95 1kya s VAL 126 Ca -0.13 -1.59 -0.16 0.00 0.00 0.00 0.00 61.98 60.09 1kya s VAL 126 Cb -0.16 -2.61 -0.05 0.00 0.00 0.00 0.00 36.38 33.56 1kya s VAL 126 CO 0.06 -0.16 1.03 -0.31 0.00 0.00 0.00 175.10 175.72 1kya s TYR 127 N 1.17 3.18 -0.30 5.22 2.02 0.62 -0.98 117.35 128.28 1kya s TYR 127 Ca -0.04 1.49 -0.03 0.00 -0.37 0.00 0.00 57.07 58.11 1kya s TYR 127 Cb -0.20 -2.92 0.04 0.00 -0.40 0.00 0.00 41.96 38.49 1kya s TYR 127 CO -0.03 -0.82 0.02 0.34 -1.57 0.00 0.00 175.55 173.48 1kya s ASP 128 N -2.95 4.92 0.55 2.29 -1.08 -1.26 -0.34 116.67 118.80 1kya s ASP 128 Ca 0.61 -1.17 0.29 0.00 -0.52 0.00 0.00 52.55 51.77 1kya s ASP 128 Cb -0.14 -1.75 1.46 0.00 -1.46 0.00 0.00 42.92 41.04 1kya s ASP 128 CO 0.36 -0.25 1.91 -0.65 0.52 0.00 0.00 175.17 177.05 1kya h PRO 129 N 8.05 0.00 -1.31 4.34 0.11 -1.97 -1.89 132.00 139.33 1kya h PRO 129 Ca -0.23 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.35 1kya h PRO 129 Cb 1.07 0.00 -0.42 0.00 0.11 0.00 0.00 31.00 31.77 1kya h PRO 129 CO 0.55 0.00 -0.86 0.27 -0.21 0.00 0.00 178.00 177.76 1kya n ASN 130 N -4.11 3.87 -4.68 -2.05 6.94 -1.26 -5.08 115.26 108.88 1kya n ASN 130 Ca 0.14 -3.44 -0.45 0.00 -0.02 0.00 0.00 54.58 50.81 1kya n ASN 130 Cb 0.81 -0.47 -0.04 0.00 -2.36 0.00 0.00 39.78 37.72 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 -0.40 3.36 -0.21 0.53 -0.08 -0.71 -4.89 116.55 114.14 1kya n ASP 131 Ca 0.31 1.06 0.05 0.00 -1.51 0.00 0.00 54.79 54.70 1kya n ASP 131 Cb 0.72 -1.45 0.32 0.00 2.34 0.00 0.00 41.12 43.05 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 6.73 0.82 -0.61 -0.67 0.11 -1.98 -2.09 132.00 134.30 1kya h PRO 132 Ca -0.45 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1kya h PRO 132 Cb 1.25 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1kya h PRO 132 CO 0.91 0.54 0.00 0.00 -0.21 0.00 0.00 178.00 179.24 1kya n ALA 133 N -2.43 2.95 -0.31 -0.75 0.00 -1.26 -4.44 120.51 114.27 1kya n ALA 133 Ca 0.11 -1.07 0.03 0.00 0.00 0.00 0.00 53.44 52.52 1kya n ALA 133 Cb 0.20 -1.03 0.23 0.00 0.00 0.00 0.00 19.45 18.85 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 3.59 1.48 0.00 0.00 0.00 -1.75 -1.51 119.26 121.07 1kya h ALA 134 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1kya h ALA 134 Cb 1.09 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1kya h ALA 134 CO 0.17 0.39 0.00 -0.25 0.00 0.00 0.00 179.25 179.56 1kya n ASP 135 N -4.48 0.00 -0.30 0.00 8.00 -1.26 -2.86 116.55 115.65 1kya n ASP 135 Ca 0.13 0.21 0.13 0.00 0.71 0.00 0.00 54.79 55.98 1kya n ASP 135 Cb 0.17 -0.35 0.42 0.00 -0.02 0.00 0.00 41.12 41.34 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 1.13 -3.70 0.64 4.77 -0.57 -4.95 117.00 112.97 1kya n LEU 136 Ca 0.05 -0.31 -0.10 0.00 -0.03 0.00 0.00 56.01 55.62 1kya n LEU 136 Cb 0.12 -0.09 -0.05 0.00 -2.33 0.00 0.00 43.42 41.06 1kya n LEU 136 CO 0.11 0.20 0.09 -0.72 -1.33 0.00 0.00 177.39 175.74 1kya s TYR 137 N -2.38 -0.11 -0.22 -1.77 -0.85 -1.14 -4.87 117.35 106.01 1kya s TYR 137 Ca 0.28 -0.23 0.07 0.00 -0.52 0.00 0.00 57.07 56.66 1kya s TYR 137 Cb 0.20 0.17 -0.18 0.00 0.38 0.00 0.00 41.96 42.52 1kya s TYR 137 CO 0.47 -0.65 -0.12 -0.25 -1.52 0.00 0.00 175.55 173.48 1kya n ASP 138 N -0.14 1.58 -4.25 -0.18 8.00 0.10 -4.97 116.55 116.68 1kya n ASP 138 Ca -0.16 -0.09 -0.31 0.00 0.71 0.00 0.00 54.79 54.94 1kya n ASP 138 Cb 0.63 0.05 -0.16 0.00 -0.02 0.00 0.00 41.12 41.62 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 -2.47 1.99 -0.40 2.53 1.01 -0.56 -5.01 120.40 117.49 1kya s VAL 139 Ca -0.25 -1.03 0.07 0.00 0.00 0.00 0.00 61.98 60.77 1kya s VAL 139 Cb 0.07 -1.68 0.18 0.00 0.00 0.00 0.00 36.38 34.95 1kya s VAL 139 CO 0.62 0.55 0.64 -0.62 0.00 0.00 0.00 175.10 176.29 1kya s ASP 140 N -0.15 -1.52 0.00 3.32 2.15 -1.26 -1.27 116.67 117.93 1kya s ASP 140 Ca -0.03 -0.70 0.00 0.00 0.43 0.00 0.00 52.55 52.25 1kya s ASP 140 Cb -0.13 1.94 0.00 0.00 -0.30 0.00 0.00 42.92 44.43 1kya s ASP 140 CO 0.03 -0.18 0.00 -0.46 -0.17 0.00 0.00 175.17 174.40 1kya n ASN 141 N 4.48 0.00 0.26 -0.34 0.23 -1.26 -5.02 115.26 113.61 1kya n ASN 141 Ca 0.10 0.00 0.12 0.00 -0.53 0.00 0.00 54.58 54.28 1kya n ASN 141 Cb 0.57 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 -0.02 0.53 5.19 -2.01 -3.00 116.42 117.11 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 0.10 0.00 0.47 -3.12 0.00 0.00 179.24 176.69 1kya n ASP 143 N -3.78 1.79 -0.82 6.45 8.00 -1.26 -3.83 116.55 123.10 1kya n ASP 143 Ca -0.02 -1.60 0.07 0.00 0.71 0.00 0.00 54.79 53.95 1kya n ASP 143 Cb 0.21 -0.00 0.20 0.00 -0.02 0.00 0.00 41.12 41.50 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 0.40 1.13 -3.27 -3.53 -2.24 -1.13 -4.83 114.28 100.81 1kya n THR 144 Ca 0.18 -1.07 -0.38 0.00 -2.27 0.00 0.00 64.05 60.50 1kya n THR 144 Cb 0.40 0.43 -0.06 0.00 -2.10 0.00 0.00 70.33 69.00 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 -1.17 5.16 -0.18 2.28 1.01 -1.25 0.18 120.40 126.43 1kya s VAL 145 Ca 0.30 1.02 0.01 0.00 0.00 0.00 0.00 61.98 63.31 1kya s VAL 145 Cb 0.17 -3.85 0.03 0.00 0.00 0.00 0.00 36.38 32.73 1kya s VAL 145 CO 0.19 0.29 -0.14 -0.63 0.00 0.00 0.00 175.10 174.81 1kya s ILE 146 N 0.79 1.73 -0.09 2.22 1.01 0.86 -4.89 121.20 122.83 1kya s ILE 146 Ca 0.27 -0.88 -0.02 0.00 0.00 0.00 0.00 60.65 60.03 1kya s ILE 146 Cb -0.15 -1.68 -0.03 0.00 0.01 0.00 0.00 42.46 40.60 1kya s ILE 146 CO 0.11 0.35 0.01 0.42 0.00 0.00 0.00 174.94 175.84 1kya s THR 147 N 1.39 4.39 -0.17 2.92 -4.23 -1.26 -0.75 115.64 117.94 1kya s THR 147 Ca 0.02 -0.22 -0.01 0.00 -1.18 0.00 0.00 61.69 60.30 1kya s THR 147 Cb -0.14 -2.85 -0.01 0.00 1.34 0.00 0.00 72.50 70.84 1kya s THR 147 CO -0.10 0.61 -0.11 -0.76 -0.54 0.00 0.00 174.62 173.71 1kya s LEU 148 N -0.88 2.68 -0.02 4.79 1.43 -0.08 -0.67 118.68 125.94 1kya s LEU 148 Ca 0.13 -0.40 0.03 0.00 -1.03 0.00 0.00 54.13 52.87 1kya s LEU 148 Cb -0.11 -1.63 -0.00 0.00 0.03 0.00 0.00 46.19 44.47 1kya s LEU 148 CO 0.02 0.08 -0.11 -0.69 0.23 0.00 0.00 176.35 175.89 1kya s VAL 149 N 0.85 0.91 -0.64 -1.59 1.01 0.58 -0.96 120.40 120.56 1kya s VAL 149 Ca -0.03 -0.45 -0.18 0.00 0.00 0.00 0.00 61.98 61.31 1kya s VAL 149 Cb -0.15 -0.79 0.12 0.00 0.00 0.00 0.00 36.38 35.57 1kya s VAL 149 CO 0.00 0.27 0.73 1.51 0.00 0.00 0.00 175.10 177.61 1kya s ASP 150 N -0.01 6.29 -0.15 3.32 -4.77 -1.26 0.72 116.67 120.81 1kya s ASP 150 Ca -0.00 -1.67 -0.17 0.00 -3.30 0.00 0.00 52.55 47.41 1kya s ASP 150 Cb -0.07 -2.29 -0.04 0.00 -1.09 0.00 0.00 42.92 39.43 1kya s ASP 150 CO 0.00 -1.03 0.45 0.86 0.70 0.00 0.00 175.17 176.16 1kya s TRP 151 N 2.29 3.45 0.01 2.11 -0.11 0.31 -4.80 118.94 122.21 1kya s TRP 151 Ca 0.13 0.79 0.02 0.00 1.22 0.00 0.00 56.10 58.26 1kya s TRP 151 Cb -0.21 -2.55 -0.04 0.00 -1.50 0.00 0.00 33.47 29.17 1kya s TRP 151 CO 0.03 0.09 0.02 0.71 -4.62 0.00 0.00 176.95 173.18 1kya s TYR 152 N 0.93 3.11 -0.21 5.86 1.51 -1.26 -1.55 117.35 125.75 1kya s TYR 152 Ca 0.23 0.09 0.17 0.00 -1.01 0.00 0.00 57.07 56.56 1kya s TYR 152 Cb -0.15 -1.66 0.09 0.00 -0.11 0.00 0.00 41.96 40.12 1kya s TYR 152 CO 0.09 0.48 1.38 0.45 -1.11 0.00 0.00 175.55 176.85 1kya h HIS 153 N 4.12 0.00 -3.04 2.71 3.86 -1.98 -3.44 115.15 117.37 1kya h HIS 153 Ca -0.49 0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.05 1kya h HIS 153 Cb 1.17 0.00 -0.12 0.00 1.06 0.00 0.00 27.41 29.53 1kya h HIS 153 CO 0.62 0.40 -0.56 0.08 0.86 0.00 0.00 177.93 179.32 1kya s VAL 154 N -3.02 4.84 0.81 2.45 1.01 -1.26 -4.94 120.40 120.29 1kya s VAL 154 Ca 0.04 -0.04 -0.13 0.00 0.00 0.00 0.00 61.98 61.84 1kya s VAL 154 Cb 0.07 -3.09 0.08 0.00 0.00 0.00 0.00 36.38 33.44 1kya s VAL 154 CO 0.74 0.59 1.13 0.00 0.00 0.00 0.00 175.10 177.57 1kya n ALA 155 N 2.24 -0.24 -0.04 5.51 0.00 -1.26 -4.73 120.51 121.99 1kya n ALA 155 Ca -0.19 -0.34 -0.08 0.00 0.00 0.00 0.00 53.44 52.83 1kya n ALA 155 Cb 0.54 -2.21 -0.02 0.00 0.00 0.00 0.00 19.45 17.77 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 -0.93 -0.01 0.00 0.00 0.00 -1.92 -1.71 119.26 114.69 1kya h ALA 156 Ca -0.46 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1kya h ALA 156 Cb 1.30 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.44 1kya h ALA 156 CO 0.45 -0.59 0.00 1.63 0.00 0.00 0.00 179.25 180.75 1kya n LYS 157 N -5.32 0.37 -0.03 0.00 5.02 -1.26 -3.59 118.16 113.34 1kya n LYS 157 Ca -0.01 0.03 0.05 0.00 -2.02 0.00 0.00 58.31 56.35 1kya n LYS 157 Cb 0.23 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.59 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 -1.29 0.00 0.00 -0.35 4.77 -0.86 -5.00 117.00 114.27 1kya n LEU 158 Ca 0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1kya n LEU 158 Cb 0.22 0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1kya n LEU 158 CO 0.21 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 1kya n GLY 159 N 1.52 0.47 3.76 -0.72 0.00 -0.70 -4.95 105.19 104.56 1kya n GLY 159 Ca -0.11 -1.80 -0.34 0.00 0.00 0.00 0.00 46.02 43.77 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 1.34 2.63 0.39 1.61 0.02 -1.26 -4.91 135.00 134.82 1kya s PRO 160 Ca 0.00 1.52 0.09 0.00 0.02 0.00 0.00 61.00 62.64 1kya s PRO 160 Cb 0.00 -1.92 0.78 0.00 0.02 0.00 0.00 34.50 33.38 1kya s PRO 160 CO 0.00 -1.41 1.92 0.00 -0.33 0.00 0.00 177.00 177.19 1kya h ALA 161 N 0.02 1.51 -2.78 -1.55 0.00 -1.96 -3.31 119.26 111.19 1kya h ALA 161 Ca -0.47 -0.19 -0.60 0.00 0.00 0.00 0.00 54.91 53.64 1kya h ALA 161 Cb 1.26 -0.09 -0.40 0.00 0.00 0.00 0.00 17.79 18.56 1kya h ALA 161 CO 0.53 0.35 -0.78 -0.06 0.00 0.00 0.00 179.25 179.28 1kya s PHE 162 N -4.79 1.98 0.25 0.00 0.08 -1.26 -4.84 117.98 109.40 1kya s PHE 162 Ca -0.06 -2.55 -0.02 0.00 0.12 0.00 0.00 56.93 54.42 1kya s PHE 162 Cb 0.16 -1.70 0.52 0.00 -0.57 0.00 0.00 43.02 41.43 1kya s PHE 162 CO 0.73 -0.74 1.33 -2.30 -0.10 0.00 0.00 175.22 174.14 1kya n PRO 163 N 2.98 -0.07 -3.11 0.24 -0.02 -1.25 -4.88 135.00 128.89 1kya n PRO 163 Ca 0.18 1.30 -0.13 0.00 -2.02 0.00 0.00 63.50 62.83 1kya n PRO 163 Cb 0.39 -2.00 0.04 0.00 -0.02 0.00 0.00 33.50 31.91 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 -5.30 -2.78 0.00 2.45 7.94 -1.26 -4.93 117.00 113.12 1kya n LEU 164 Ca 0.17 -0.30 0.00 0.00 -1.11 0.00 0.00 56.01 54.77 1kya n LEU 164 Cb 0.54 -1.90 0.00 0.00 0.53 0.00 0.00 43.42 42.59 1kya n LEU 164 CO -0.08 0.36 0.00 0.61 -1.11 0.00 0.00 177.39 177.17 1kya n GLY 165 N -1.34 4.31 3.91 -3.96 0.00 -1.26 -4.11 105.19 102.74 1kya n GLY 165 Ca 0.01 -1.04 -0.30 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.51 3.76 0.16 4.61 0.00 -1.26 -4.91 121.76 123.62 1kya s ALA 166 Ca 0.00 -0.63 0.27 0.00 0.00 0.00 0.00 51.96 51.59 1kya s ALA 166 Cb 0.00 -2.13 1.09 0.00 0.00 0.00 0.00 23.12 22.09 1kya s ALA 166 CO 0.00 0.51 1.89 -0.44 0.00 0.00 0.00 175.76 177.73 1kya h ASP 167 N 2.34 0.00 -3.86 0.00 3.32 -1.65 -3.32 116.42 113.25 1kya h ASP 167 Ca -0.47 0.00 0.04 0.00 0.02 0.00 0.00 57.03 56.62 1kya h ASP 167 Cb 1.18 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.49 1kya h ASP 167 CO 0.70 0.16 0.42 0.00 -1.72 0.00 0.00 179.24 178.80 1kya s ALA 168 N -3.72 -1.91 -0.09 3.45 0.00 -0.87 -4.31 121.76 114.30 1kya s ALA 168 Ca 0.00 1.71 -0.17 0.00 0.00 0.00 0.00 51.96 53.51 1kya s ALA 168 Cb 0.10 -0.95 -0.05 0.00 0.00 0.00 0.00 23.12 22.22 1kya s ALA 168 CO 0.61 -0.29 0.44 0.99 0.00 0.00 0.00 175.76 177.51 1kya s THR 169 N -0.43 5.15 -0.21 0.00 2.01 -1.26 -0.53 115.64 120.37 1kya s THR 169 Ca -0.01 0.89 -0.06 0.00 0.31 0.00 0.00 61.69 62.82 1kya s THR 169 Cb -0.03 -3.77 -0.03 0.00 0.01 0.00 0.00 72.50 68.68 1kya s THR 169 CO -0.00 0.40 0.02 -0.76 -0.69 0.00 0.00 174.62 173.58 1kya s LEU 170 N 0.18 3.37 -0.24 4.42 1.02 0.22 -4.15 118.68 123.50 1kya s LEU 170 Ca 0.24 -0.16 -0.03 0.00 0.02 0.00 0.00 54.13 54.20 1kya s LEU 170 Cb -0.15 -1.86 0.01 0.00 0.02 0.00 0.00 46.19 44.20 1kya s LEU 170 CO 0.10 0.06 -0.04 -0.63 0.02 0.00 0.00 176.35 175.87 1kya s ILE 171 N 1.02 3.23 -1.39 -0.59 1.01 0.19 -0.30 121.20 124.35 1kya s ILE 171 Ca 0.02 -0.70 -0.05 0.00 0.00 0.00 0.00 60.65 59.92 1kya s ILE 171 Cb -0.14 -2.54 0.03 0.00 0.01 0.00 0.00 42.46 39.82 1kya s ILE 171 CO 0.02 0.32 0.80 0.59 0.00 0.00 0.00 174.94 176.67 1kya n ASN 172 N 4.76 -2.56 0.00 3.58 4.13 0.15 -2.26 115.26 123.06 1kya n ASN 172 Ca -0.17 -0.81 0.00 0.00 1.68 0.00 0.00 54.58 55.28 1kya n ASN 172 Cb 0.49 -3.98 0.00 0.00 -1.54 0.00 0.00 39.78 34.75 1kya n ASN 172 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1kya n GLY 173 N -1.64 2.84 3.43 7.41 0.00 -1.26 -4.89 105.19 111.08 1kya n GLY 173 Ca -0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.14 1.56 0.00 1.61 1.02 -0.96 -4.62 119.74 118.21 1kya s LYS 174 Ca 0.00 -1.71 0.00 0.00 0.02 0.00 0.00 55.97 54.28 1kya s LYS 174 Cb 0.00 -1.54 0.00 0.00 -0.52 0.00 0.00 37.83 35.77 1kya s LYS 174 CO 0.00 0.27 0.00 0.41 -0.92 0.00 0.00 175.35 175.11 1kya n GLY 175 N -0.54 -1.66 3.23 -3.33 0.00 -1.13 0.53 105.19 102.29 1kya n GLY 175 Ca -0.06 -1.10 -0.18 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 -1.81 1.00 0.23 1.61 0.52 -1.26 -4.07 118.95 115.17 1kya s ARG 176 Ca 0.00 -1.20 0.09 0.00 -0.52 0.00 0.00 55.73 54.10 1kya s ARG 176 Cb 0.00 -0.90 -0.04 0.00 0.52 0.00 0.00 34.95 34.52 1kya s ARG 176 CO 0.00 0.18 0.01 -1.54 0.02 0.00 0.00 175.30 173.97 1kya s SER 177 N -2.34 4.69 0.60 0.23 1.04 -1.26 -4.30 113.70 112.36 1kya s SER 177 Ca 0.07 -0.53 0.23 0.00 0.48 0.00 0.00 55.95 56.20 1kya s SER 177 Cb -0.06 -0.94 1.25 0.00 0.10 0.00 0.00 66.02 66.37 1kya s SER 177 CO 0.03 0.03 1.69 -0.65 0.98 0.00 0.00 173.24 175.31 1kya h PRO 178 N 2.14 0.00 -0.10 4.02 0.11 -1.93 0.75 132.00 137.00 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 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1kya h PRO 178 CO 0.59 0.00 0.00 0.45 -0.21 0.00 0.00 178.00 178.83 1kya n SER 179 N -2.68 2.66 -2.95 -2.05 2.88 -1.26 -4.57 113.62 105.64 1kya n SER 179 Ca -0.02 -1.80 -0.14 0.00 -1.33 0.00 0.00 58.87 55.59 1kya n SER 179 Cb 0.45 -0.05 -0.00 0.00 -0.75 0.00 0.00 64.21 63.86 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 1.05 0.36 0.75 2.46 -1.04 0.25 -4.94 114.28 113.18 1kya n THR 180 Ca 0.12 -3.90 0.06 0.00 -2.04 0.00 0.00 64.05 58.29 1kya n THR 180 Cb 0.47 0.15 0.37 0.00 -1.82 0.00 0.00 70.33 69.50 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 0.13 0.19 0.01 12.58 -2.24 -1.23 -1.95 114.28 121.77 1kya n THR 181 Ca 0.18 0.05 0.07 0.00 -2.27 0.00 0.00 64.05 62.08 1kya n THR 181 Cb 0.73 -0.84 0.16 0.00 -2.10 0.00 0.00 70.33 68.28 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 -1.08 0.71 -2.08 4.28 -2.24 -1.26 -4.85 114.28 107.76 1kya n THR 182 Ca 0.09 -0.86 -0.39 0.00 -2.27 0.00 0.00 64.05 60.62 1kya n THR 182 Cb 0.06 0.73 -0.00 0.00 -2.10 0.00 0.00 70.33 69.02 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 -1.07 3.13 0.34 6.98 0.00 -0.82 -4.93 121.76 125.39 1kya s ALA 183 Ca 0.27 1.16 -0.29 0.00 0.00 0.00 0.00 51.96 53.10 1kya s ALA 183 Cb 0.15 -3.47 -0.11 0.00 0.00 0.00 0.00 23.12 19.69 1kya s ALA 183 CO 0.20 -0.84 1.54 -0.51 0.00 0.00 0.00 175.76 176.15 1kya s ASP 184 N -0.93 6.36 0.26 0.00 1.11 -1.26 -4.86 116.67 117.36 1kya s ASP 184 Ca 0.60 3.00 0.06 0.00 0.18 0.00 0.00 52.55 56.39 1kya s ASP 184 Cb -0.36 -2.65 -0.03 0.00 1.07 0.00 0.00 42.92 40.95 1kya s ASP 184 CO 0.45 -0.89 0.34 -0.76 1.18 0.00 0.00 175.17 175.49 1kya s LEU 185 N -1.33 4.13 0.36 1.23 1.43 -1.26 -3.98 118.68 119.26 1kya s LEU 185 Ca 0.58 -0.06 -0.25 0.00 -1.03 0.00 0.00 54.13 53.37 1kya s LEU 185 Cb -0.47 -2.71 -0.10 0.00 0.03 0.00 0.00 46.19 42.95 1kya s LEU 185 CO 0.56 -0.13 0.99 -0.44 0.23 0.00 0.00 176.35 177.55 1kya s SER 186 N -3.98 7.07 -0.08 2.29 0.01 -1.26 -4.92 113.70 112.82 1kya s SER 186 Ca 0.36 1.91 0.04 0.00 1.31 0.00 0.00 55.95 59.56 1kya s SER 186 Cb -0.09 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.57 1kya s SER 186 CO 0.28 -0.27 -0.20 -0.69 0.41 0.00 0.00 173.24 172.77 1kya s VAL 187 N -1.69 1.74 -0.21 3.43 1.01 -1.26 -0.92 120.40 122.50 1kya s VAL 187 Ca 0.54 -0.84 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 1kya s VAL 187 Cb -0.19 -1.51 0.01 0.00 0.00 0.00 0.00 36.38 34.69 1kya s VAL 187 CO 0.24 0.49 -0.11 -0.63 0.00 0.00 0.00 175.10 175.09 1kya s ILE 188 N 0.37 2.72 0.11 2.22 1.01 0.16 -4.97 121.20 122.82 1kya s ILE 188 Ca -0.15 -0.81 -0.15 0.00 0.00 0.00 0.00 60.65 59.54 1kya s ILE 188 Cb -0.16 -2.25 -0.07 0.00 0.01 0.00 0.00 42.46 39.99 1kya s ILE 188 CO 0.06 0.41 0.51 -0.44 0.00 0.00 0.00 174.94 175.49 1kya s SER 189 N 1.36 6.84 0.01 3.58 0.01 -1.26 -0.99 113.70 123.25 1kya s SER 189 Ca 0.04 1.06 -0.01 0.00 1.31 0.00 0.00 55.95 58.34 1kya s SER 189 Cb -0.14 -2.28 -0.01 0.00 0.21 0.00 0.00 66.02 63.79 1kya s SER 189 CO -0.07 0.17 0.01 0.68 0.41 0.00 0.00 173.24 174.43 1kya s VAL 190 N -1.34 0.07 -0.09 3.43 -7.23 -1.09 -4.95 120.40 109.21 1kya s VAL 190 Ca 0.34 -0.61 0.00 0.00 -1.81 0.00 0.00 61.98 59.90 1kya s VAL 190 Cb -0.16 -0.21 -0.03 0.00 0.56 0.00 0.00 36.38 36.54 1kya s VAL 190 CO 0.18 -0.33 -0.07 0.42 -0.31 0.00 0.00 175.10 174.99 1kya s THR 191 N -1.00 3.65 0.21 5.32 -4.23 -1.26 -1.72 115.64 116.61 1kya s THR 191 Ca -0.11 -0.49 -0.29 0.00 -1.18 0.00 0.00 61.69 59.62 1kya s THR 191 Cb -0.07 -2.51 -0.16 0.00 1.34 0.00 0.00 72.50 71.10 1kya s THR 191 CO -0.00 0.58 0.78 -2.65 -0.54 0.00 0.00 174.62 172.78 1kya n PRO 192 N 2.53 0.55 -0.23 3.99 -0.02 -1.26 -1.49 135.00 139.07 1kya n PRO 192 Ca -0.18 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 1kya n PRO 192 Cb 0.53 -1.39 0.00 0.00 -0.02 0.00 0.00 33.50 32.61 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 1.72 2.01 3.89 -1.23 0.00 0.13 -4.99 105.19 106.71 1kya n GLY 193 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.05 3.65 -0.11 1.61 1.02 -0.55 -4.85 119.74 120.46 1kya s LYS 194 Ca 0.00 -0.01 -0.04 0.00 0.02 0.00 0.00 55.97 55.95 1kya s LYS 194 Cb 0.00 -2.94 -0.04 0.00 -0.52 0.00 0.00 37.83 34.34 1kya s LYS 194 CO 0.00 0.53 0.04 1.03 -0.92 0.00 0.00 175.35 176.03 1kya s ARG 195 N -2.26 3.21 -0.04 1.68 0.52 -1.26 -0.89 118.95 119.91 1kya s ARG 195 Ca 0.36 -0.34 0.05 0.00 -0.52 0.00 0.00 55.73 55.28 1kya s ARG 195 Cb -0.13 -2.93 -0.01 0.00 0.52 0.00 0.00 34.95 32.40 1kya s ARG 195 CO 0.21 0.66 -0.19 0.71 0.02 0.00 0.00 175.30 176.72 1kya s TYR 196 N -0.75 1.79 -0.69 -0.53 1.51 0.30 -0.72 117.35 118.25 1kya s TYR 196 Ca 0.12 -0.47 -0.18 0.00 -1.01 0.00 0.00 57.07 55.53 1kya s TYR 196 Cb -0.12 -1.19 0.13 0.00 -0.11 0.00 0.00 41.96 40.67 1kya s TYR 196 CO 0.02 -0.13 0.80 0.50 -1.11 0.00 0.00 175.55 175.63 1kya s ARG 197 N -0.12 3.23 0.03 -0.62 3.52 -0.40 -1.09 118.95 123.50 1kya s ARG 197 Ca -0.01 -1.57 -0.26 0.00 -0.13 0.00 0.00 55.73 53.77 1kya s ARG 197 Cb -0.11 -4.41 -0.05 0.00 -1.56 0.00 0.00 34.95 28.83 1kya s ARG 197 CO 0.02 -1.56 0.80 -0.06 -0.81 0.00 0.00 175.30 173.69 1kya s PHE 198 N 2.34 3.71 -0.46 5.12 0.08 -0.27 -4.73 117.98 123.76 1kya s PHE 198 Ca 0.17 1.49 -0.09 0.00 0.12 0.00 0.00 56.93 58.62 1kya s PHE 198 Cb -0.18 -2.87 0.11 0.00 -0.57 0.00 0.00 43.02 39.51 1kya s PHE 198 CO 0.01 0.20 0.32 1.03 -0.10 0.00 0.00 175.22 176.69 1kya s ARG 199 N 0.21 2.48 -0.26 0.44 0.52 0.13 -1.23 118.95 121.25 1kya s ARG 199 Ca 0.41 -1.71 -0.23 0.00 -0.52 0.00 0.00 55.73 53.68 1kya s ARG 199 Cb -0.20 -3.88 -0.01 0.00 0.52 0.00 0.00 34.95 31.38 1kya s ARG 199 CO 0.23 -1.14 0.78 -1.17 0.02 0.00 0.00 175.30 174.02 1kya s LEU 200 N 1.36 4.08 -0.06 2.53 2.96 0.39 -0.10 118.68 129.84 1kya s LEU 200 Ca 0.05 0.88 0.03 0.00 -0.22 0.00 0.00 54.13 54.87 1kya s LEU 200 Cb -0.25 -3.09 0.01 0.00 0.50 0.00 0.00 46.19 43.35 1kya s LEU 200 CO -0.00 -0.51 -0.13 -0.69 -1.32 0.00 0.00 176.35 173.70 1kya s VAL 201 N 2.80 1.20 -0.31 1.68 1.01 0.07 -1.21 120.40 125.64 1kya s VAL 201 Ca 0.32 -0.53 -0.15 0.00 0.00 0.00 0.00 61.98 61.63 1kya s VAL 201 Cb -0.15 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.13 1kya s VAL 201 CO 0.09 0.37 0.35 -0.55 0.00 0.00 0.00 175.10 175.35 1kya s SER 202 N 0.54 6.19 -0.22 3.32 0.15 -0.74 -0.90 113.70 122.04 1kya s SER 202 Ca -0.13 -0.00 0.15 0.00 0.70 0.00 0.00 55.95 56.67 1kya s SER 202 Cb -0.15 -2.19 0.72 0.00 -1.71 0.00 0.00 66.02 62.69 1kya s SER 202 CO 0.04 -0.25 1.63 0.18 1.20 0.00 0.00 173.24 176.04 1kya n LEU 203 N 5.33 5.08 -4.76 3.45 4.77 -0.13 -1.96 117.00 128.78 1kya n LEU 203 Ca -0.09 -2.97 -0.38 0.00 -0.03 0.00 0.00 56.01 52.54 1kya n LEU 203 Cb 0.50 -0.64 0.02 0.00 -2.33 0.00 0.00 43.42 40.97 1kya n LEU 203 CO 0.38 0.65 0.92 -0.55 -1.33 0.00 0.00 177.39 177.46 1kya s SER 204 N -1.21 5.73 0.04 -1.43 0.15 -1.21 -4.73 113.70 111.04 1kya s SER 204 Ca 0.50 2.56 0.17 0.00 0.70 0.00 0.00 55.95 59.88 1kya s SER 204 Cb 0.39 -2.62 -0.15 0.00 -1.71 0.00 0.00 66.02 61.93 1kya s SER 204 CO 0.13 -1.24 0.76 0.00 1.20 0.00 0.00 173.24 174.10 1kya n ASP 206 N -2.86 0.00 -4.77 0.00 -0.08 -1.26 -0.29 116.55 107.28 1kya n ASP 206 Ca -0.11 0.00 -0.40 0.00 -1.51 0.00 0.00 54.79 52.77 1kya n ASP 206 Cb 0.86 0.03 -0.01 0.00 2.34 0.00 0.00 41.12 44.34 1kya n ASP 206 CO 0.00 0.00 0.00 -2.84 0.12 0.00 0.00 177.20 174.48 1kya s PRO 207 N -1.14 4.07 0.12 -0.67 0.02 -1.26 -4.84 135.00 131.30 1kya s PRO 207 Ca 0.00 2.30 0.04 0.00 0.02 0.00 0.00 61.00 63.36 1kya s PRO 207 Cb 0.00 -2.88 -0.04 0.00 0.02 0.00 0.00 34.50 31.61 1kya s PRO 207 CO 0.00 -0.46 0.09 0.54 -0.33 0.00 0.00 177.00 176.83 1kya s ASN 208 N -0.51 5.41 0.05 2.53 6.03 -1.26 -3.83 114.94 123.36 1kya s ASN 208 Ca 0.54 -0.11 0.09 0.00 -1.03 0.00 0.00 52.86 52.35 1kya s ASN 208 Cb -0.41 -1.40 -0.03 0.00 -3.03 0.00 0.00 41.25 36.38 1kya s ASN 208 CO 0.54 0.12 -0.24 -0.31 -2.03 0.00 0.00 177.10 175.18 1kya s TYR 209 N -1.55 2.11 -0.51 1.54 2.02 0.88 -2.26 117.35 119.59 1kya s TYR 209 Ca 0.29 -0.40 -0.15 0.00 -0.37 0.00 0.00 57.07 56.44 1kya s TYR 209 Cb -0.11 -1.25 0.11 0.00 -0.40 0.00 0.00 41.96 40.31 1kya s TYR 209 CO 0.22 0.13 0.45 0.99 -1.57 0.00 0.00 175.55 175.77 1kya s THR 210 N -0.84 5.14 -0.16 -0.71 2.01 -0.36 0.44 115.64 121.17 1kya s THR 210 Ca 0.10 -1.35 -0.14 0.00 0.31 0.00 0.00 61.69 60.61 1kya s THR 210 Cb -0.10 -4.21 -0.05 0.00 0.01 0.00 0.00 72.50 68.16 1kya s THR 210 CO 0.02 -0.74 0.31 0.12 -0.69 0.00 0.00 174.62 173.64 1kya s PHE 211 N 1.60 3.47 0.13 4.92 5.36 0.38 -2.04 117.98 131.79 1kya s PHE 211 Ca 0.04 0.63 -0.13 0.00 -0.96 0.00 0.00 56.93 56.50 1kya s PHE 211 Cb -0.27 -2.36 0.02 0.00 -0.34 0.00 0.00 43.02 40.06 1kya s PHE 211 CO 0.04 0.23 0.35 -1.54 -1.46 0.00 0.00 175.22 172.85 1kya s SER 212 N 0.48 -0.11 -0.12 6.13 1.04 -0.18 -0.36 113.70 120.57 1kya s SER 212 Ca 0.18 -0.51 -0.01 0.00 0.48 0.00 0.00 55.95 56.09 1kya s SER 212 Cb -0.13 0.45 0.03 0.00 0.10 0.00 0.00 66.02 66.47 1kya s SER 212 CO 0.05 -0.86 -0.05 -0.63 0.98 0.00 0.00 173.24 172.72 1kya s ILE 213 N -3.85 0.90 0.19 -1.02 1.01 -1.26 -0.52 121.20 116.65 1kya s ILE 213 Ca 0.07 -0.32 -0.33 0.00 0.00 0.00 0.00 60.65 60.07 1kya s ILE 213 Cb 0.02 -1.01 -0.15 0.00 0.01 0.00 0.00 42.46 41.33 1kya s ILE 213 CO -0.09 0.25 1.34 0.47 0.00 0.00 0.00 174.94 176.92 1kya n ASP 214 N 4.97 2.21 0.00 3.58 8.00 -0.81 -1.78 116.55 132.72 1kya n ASP 214 Ca -0.11 1.13 0.00 0.00 0.71 0.00 0.00 54.79 56.52 1kya n ASP 214 Cb 0.49 -1.33 0.00 0.00 -0.02 0.00 0.00 41.12 40.26 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 2.30 0.54 3.23 0.44 0.00 -1.26 -4.78 105.19 105.66 1kya n GLY 215 Ca 0.14 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.60 1.53 0.46 1.61 3.76 -0.73 -4.92 115.29 114.40 1kya s HIS 216 Ca 0.00 -0.42 0.08 0.00 -0.15 0.00 0.00 55.06 54.57 1kya s HIS 216 Cb 0.00 -0.85 0.03 0.00 1.11 0.00 0.00 32.58 32.87 1kya s HIS 216 CO 0.00 0.13 0.63 -0.80 -0.85 0.00 0.00 174.74 173.85 1kya s ASN 217 N -1.72 5.51 -0.10 1.40 0.01 -1.26 -4.60 114.94 114.18 1kya s ASN 217 Ca 0.03 -0.53 -0.04 0.00 -0.71 0.00 0.00 52.86 51.61 1kya s ASN 217 Cb -0.10 -0.41 0.05 0.00 0.41 0.00 0.00 41.25 41.21 1kya s ASN 217 CO 0.03 -0.91 0.20 -0.04 -1.51 0.00 0.00 177.10 174.87 1kya s MET 218 N -4.43 0.11 -0.45 -0.60 -1.94 0.08 -4.76 119.30 107.32 1kya s MET 218 Ca 0.57 0.55 -0.15 0.00 -1.71 0.00 0.00 55.69 54.95 1kya s MET 218 Cb -0.09 -0.16 0.06 0.00 2.01 0.00 0.00 34.83 36.65 1kya s MET 218 CO 0.35 -0.23 0.36 0.99 -0.01 0.00 0.00 175.02 176.47 1kya s THR 219 N 1.81 5.19 0.12 2.05 2.01 -0.78 0.61 115.64 126.65 1kya s THR 219 Ca -0.03 -0.94 -0.31 0.00 0.31 0.00 0.00 61.69 60.71 1kya s THR 219 Cb -0.12 -4.03 -0.08 0.00 0.01 0.00 0.00 72.50 68.28 1kya s THR 219 CO -0.07 -0.48 1.37 -0.63 -0.69 0.00 0.00 174.62 174.11 1kya s ILE 220 N 1.64 3.35 0.00 1.82 1.01 0.26 -0.26 121.20 129.02 1kya s ILE 220 Ca 0.04 0.98 0.00 0.00 0.00 0.00 0.00 60.65 61.67 1kya s ILE 220 Cb -0.22 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.62 1kya s ILE 220 CO 0.08 0.08 0.43 2.30 0.00 0.00 0.00 174.94 177.83 1kya n ILE 221 N 3.83 0.15 -3.65 2.92 -5.35 0.27 -2.24 119.36 115.28 1kya n ILE 221 Ca 0.11 -0.38 -0.12 0.00 -0.27 0.00 0.00 62.75 62.09 1kya n ILE 221 Cb 0.43 1.22 -0.08 0.00 -1.74 0.00 0.00 39.64 39.47 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 -0.15 0.74 -0.09 6.28 2.12 -1.15 -1.36 118.70 125.09 1kya s GLU 222 Ca 0.00 0.98 -0.01 0.00 0.36 0.00 0.00 54.97 56.30 1kya s GLU 222 Cb 0.00 0.30 0.03 0.00 0.26 0.00 0.00 34.13 34.72 1kya s GLU 222 CO 0.00 -0.11 -0.01 -0.08 -0.54 0.00 0.00 175.26 174.52 1kya s THR 223 N 0.69 0.51 -1.49 -1.70 -1.32 -0.56 -1.73 115.64 110.04 1kya s THR 223 Ca -0.03 0.01 -0.07 0.00 -1.21 0.00 0.00 61.69 60.40 1kya s THR 223 Cb -0.05 -0.66 0.05 0.00 -1.51 0.00 0.00 72.50 70.34 1kya s THR 223 CO -0.04 0.26 0.63 0.47 -2.21 0.00 0.00 174.62 173.72 1kya n ASP 224 N 5.10 -1.86 0.00 8.08 9.92 -0.73 -0.84 116.55 136.23 1kya n ASP 224 Ca -0.08 -0.95 0.00 0.00 -0.53 0.00 0.00 54.79 53.23 1kya n ASP 224 Cb 0.50 -3.23 0.00 0.00 -0.64 0.00 0.00 41.12 37.75 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 -4.67 -2.24 7.64 -1.26 -4.47 113.62 105.74 1kya n SER 225 Ca -0.16 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.36 1kya n SER 225 Cb 0.61 -0.10 -0.09 0.00 -1.01 0.00 0.00 64.21 63.61 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 -3.60 5.36 0.19 0.44 1.09 -0.02 -4.63 121.20 120.03 1kya s ILE 226 Ca 0.00 0.18 -0.33 0.00 -1.10 0.00 0.00 60.65 59.40 1kya s ILE 226 Cb 0.00 -3.49 -0.13 0.00 -1.06 0.00 0.00 42.46 37.77 1kya s ILE 226 CO 0.00 0.35 1.63 0.59 -0.10 0.00 0.00 174.94 177.41 1kya n ASN 227 N 4.22 3.45 -4.30 3.58 3.02 -1.26 -1.49 115.26 122.47 1kya n ASN 227 Ca -0.15 1.08 -0.29 0.00 -0.03 0.00 0.00 54.58 55.18 1kya n ASN 227 Cb 0.52 -1.49 -0.15 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 0.94 1.98 0.33 3.41 2.01 -0.47 -0.22 115.64 123.63 1kya s THR 228 Ca 0.76 -1.21 -0.29 0.00 0.31 0.00 0.00 61.69 61.27 1kya s THR 228 Cb -0.61 -1.68 -0.12 0.00 0.01 0.00 0.00 72.50 70.11 1kya s THR 228 CO 0.36 0.42 1.43 0.00 -0.69 0.00 0.00 174.62 176.15 1kya n ALA 229 N 2.10 1.88 -1.63 7.40 0.00 0.44 -4.50 120.51 126.19 1kya n ALA 229 Ca -0.16 0.36 -0.48 0.00 0.00 0.00 0.00 53.44 53.15 1kya n ALA 229 Cb 0.52 -2.35 -0.05 0.00 0.00 0.00 0.00 19.45 17.57 1kya n ALA 229 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1kya n PRO 230 N 0.99 1.71 -3.78 0.00 -0.02 -1.26 -4.74 135.00 127.90 1kya n PRO 230 Ca 0.05 0.61 -0.24 0.00 -2.02 0.00 0.00 63.50 61.90 1kya n PRO 230 Cb 0.37 -2.32 -0.17 0.00 -0.02 0.00 0.00 33.50 31.35 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 0.69 0.74 -0.13 2.45 2.96 -0.95 -4.95 118.68 119.49 1kya s LEU 231 Ca 0.80 -0.23 -0.29 0.00 -0.22 0.00 0.00 54.13 54.19 1kya s LEU 231 Cb -0.80 -0.50 -0.01 0.00 0.50 0.00 0.00 46.19 45.38 1kya s LEU 231 CO 0.42 -0.21 0.98 -0.69 -1.32 0.00 0.00 176.35 175.53 1kya s VAL 232 N 1.93 4.79 0.13 1.68 1.01 -1.26 -0.58 120.40 128.11 1kya s VAL 232 Ca 0.04 1.97 0.06 0.00 0.00 0.00 0.00 61.98 64.04 1kya s VAL 232 Cb -0.13 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 1kya s VAL 232 CO -0.06 -0.00 -0.13 -0.69 0.00 0.00 0.00 175.10 174.21 1kya s VAL 233 N 2.12 1.30 -0.16 2.92 1.01 0.20 -4.97 120.40 122.83 1kya s VAL 233 Ca 0.46 -1.77 -0.07 0.00 0.00 0.00 0.00 61.98 60.60 1kya s VAL 233 Cb -0.18 -1.57 -0.23 0.00 0.00 0.00 0.00 36.38 34.39 1kya s VAL 233 CO 0.16 -0.47 0.22 -0.67 0.00 0.00 0.00 175.10 174.34 1kya n ASP 234 N 0.41 2.07 -3.61 3.32 2.03 0.87 -0.74 116.55 120.90 1kya n ASP 234 Ca -0.15 0.17 -0.12 0.00 0.52 0.00 0.00 54.79 55.21 1kya n ASP 234 Cb 0.58 -0.79 -0.05 0.00 -0.72 0.00 0.00 41.12 40.14 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 -6.94 -0.31 -0.08 1.67 1.04 -1.25 -4.64 113.70 103.20 1kya s SER 235 Ca -0.26 -0.14 0.03 0.00 0.48 0.00 0.00 55.95 56.05 1kya s SER 235 Cb 0.07 0.48 0.01 0.00 0.10 0.00 0.00 66.02 66.68 1kya s SER 235 CO 0.71 -0.80 -0.15 -0.63 0.98 0.00 0.00 173.24 173.35 1kya s ILE 236 N -3.30 1.34 -0.39 -1.02 1.01 0.52 -1.31 121.20 118.04 1kya s ILE 236 Ca -0.00 -0.59 -0.15 0.00 0.00 0.00 0.00 60.65 59.91 1kya s ILE 236 Cb 0.01 -1.21 0.01 0.00 0.01 0.00 0.00 42.46 41.28 1kya s ILE 236 CO -0.08 0.40 0.29 -1.58 0.00 0.00 0.00 174.94 173.97 1kya s GLN 237 N 0.64 3.11 -0.17 2.79 0.74 -1.26 0.14 119.66 125.65 1kya s GLN 237 Ca -0.15 -0.91 -0.02 0.00 0.05 0.00 0.00 55.36 54.34 1kya s GLN 237 Cb -0.16 -3.94 -0.01 0.00 1.10 0.00 0.00 33.01 30.00 1kya s GLN 237 CO 0.04 -0.68 -0.10 -1.50 -0.55 0.00 0.00 175.29 172.51 1kya s ILE 238 N 1.72 3.12 0.57 -2.34 2.07 0.17 -4.93 121.20 121.58 1kya s ILE 238 Ca 0.06 -0.61 -0.03 0.00 -1.41 0.00 0.00 60.65 58.66 1kya s ILE 238 Cb -0.18 -2.36 0.02 0.00 0.13 0.00 0.00 42.46 40.06 1kya s ILE 238 CO 0.10 0.48 0.84 -0.36 -1.91 0.00 0.00 174.94 174.10 1kya s PHE 239 N 0.89 3.13 0.06 3.50 0.40 -1.26 -0.08 117.98 124.61 1kya s PHE 239 Ca -0.02 0.41 -0.37 0.00 -0.60 0.00 0.00 56.93 56.34 1kya s PHE 239 Cb -0.15 -2.71 -0.17 0.00 0.51 0.00 0.00 43.02 40.50 1kya s PHE 239 CO 0.00 -0.81 1.36 0.00 0.70 0.00 0.00 175.22 176.47 1kya n ALA 240 N -2.48 -0.98 -0.24 5.36 0.00 -1.25 -1.49 120.51 119.43 1kya n ALA 240 Ca 0.05 0.51 0.00 0.00 0.00 0.00 0.00 53.44 54.00 1kya n ALA 240 Cb 0.58 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.96 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 2.66 0.00 -1.65 0.00 0.00 -0.83 -4.90 120.51 115.80 1kya n ALA 241 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.33 1kya n ALA 241 Cb 0.18 -0.08 0.08 0.00 0.00 0.00 0.00 19.45 19.63 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 -0.03 2.26 0.04 0.00 -0.21 -0.55 -4.73 119.66 116.43 1kya s GLN 242 Ca 0.00 0.57 -0.02 0.00 0.02 0.00 0.00 55.36 55.93 1kya s GLN 242 Cb 0.00 -1.94 -0.02 0.00 1.00 0.00 0.00 33.01 32.04 1kya s GLN 242 CO 0.00 -1.48 0.02 1.03 -2.12 0.00 0.00 175.29 172.73 1kya s ARG 243 N -5.22 0.52 -0.20 2.91 3.00 -1.26 -1.79 118.95 116.91 1kya s ARG 243 Ca 0.60 -0.89 -0.13 0.00 0.00 0.00 0.00 55.73 55.32 1kya s ARG 243 Cb -0.13 0.19 0.06 0.00 0.00 0.00 0.00 34.95 35.07 1kya s ARG 243 CO 0.53 -0.11 0.49 0.71 0.00 0.00 0.00 175.30 176.93 1kya s TYR 244 N -2.78 -0.70 -0.19 -0.53 2.02 -0.35 -1.77 117.35 113.06 1kya s TYR 244 Ca -0.04 1.50 -0.09 0.00 -0.37 0.00 0.00 57.07 58.07 1kya s TYR 244 Cb -0.00 0.34 -0.05 0.00 -0.40 0.00 0.00 41.96 41.85 1kya s TYR 244 CO -0.06 -0.37 0.11 -1.12 -1.57 0.00 0.00 175.55 172.54 1kya s SER 245 N 1.21 6.02 0.01 2.29 0.01 -0.70 -0.46 113.70 122.09 1kya s SER 245 Ca -0.08 0.20 0.02 0.00 1.31 0.00 0.00 55.95 57.40 1kya s SER 245 Cb -0.07 -2.04 -0.01 0.00 0.21 0.00 0.00 66.02 64.12 1kya s SER 245 CO -0.12 0.20 -0.06 0.72 0.41 0.00 0.00 173.24 174.39 1kya s PHE 246 N 0.23 0.55 -0.11 2.43 -0.12 -0.36 -0.57 117.98 120.03 1kya s PHE 246 Ca 0.07 -0.23 -0.13 0.00 -0.05 0.00 0.00 56.93 56.58 1kya s PHE 246 Cb -0.11 -0.34 -0.05 0.00 -0.63 0.00 0.00 43.02 41.88 1kya s PHE 246 CO -0.01 -0.03 0.32 0.08 -0.05 0.00 0.00 175.22 175.53 1kya s VAL 247 N -0.56 5.25 -0.08 -2.49 1.01 0.64 -1.11 120.40 123.06 1kya s VAL 247 Ca -0.02 0.61 0.03 0.00 0.00 0.00 0.00 61.98 62.60 1kya s VAL 247 Cb -0.05 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.71 1kya s VAL 247 CO 0.00 0.47 -0.15 -0.22 0.00 0.00 0.00 175.10 175.19 1kya s LEU 248 N -0.13 1.75 -0.26 3.92 0.20 -0.25 -1.87 118.68 122.04 1kya s LEU 248 Ca 0.19 -0.38 -0.11 0.00 0.69 0.00 0.00 54.13 54.52 1kya s LEU 248 Cb -0.14 -1.00 -0.05 0.00 -0.43 0.00 0.00 46.19 44.57 1kya s LEU 248 CO 0.07 0.06 0.20 -1.61 -0.29 0.00 0.00 176.35 174.78 1kya s GLU 249 N 0.65 4.00 -1.22 1.98 2.02 -1.26 -0.54 118.70 124.32 1kya s GLU 249 Ca -0.14 -0.26 -0.18 0.00 0.02 0.00 0.00 54.97 54.41 1kya s GLU 249 Cb -0.16 -3.62 -0.02 0.00 0.10 0.00 0.00 34.13 30.43 1kya s GLU 249 CO 0.04 -0.11 1.99 0.00 0.02 0.00 0.00 175.26 177.20 1kya n ALA 250 N 4.83 3.97 0.09 5.21 0.00 -0.07 -4.47 120.51 130.08 1kya n ALA 250 Ca -0.14 -3.62 0.05 0.00 0.00 0.00 0.00 53.44 49.74 1kya n ALA 250 Cb 0.52 -3.57 0.10 0.00 0.00 0.00 0.00 19.45 16.50 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 8.21 2.45 -4.86 0.00 0.23 -1.26 -0.70 115.26 119.34 1kya n ASN 251 Ca 0.50 -1.76 -0.22 0.00 -0.53 0.00 0.00 54.58 52.57 1kya n ASN 251 Cb 0.42 -0.13 0.07 0.00 -2.08 0.00 0.00 39.78 38.06 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 -0.95 2.18 0.37 -3.83 -1.52 -1.26 -5.01 119.66 109.63 1kya s GLN 252 Ca 0.18 -1.04 -0.28 0.00 -1.95 0.00 0.00 55.36 52.27 1kya s GLN 252 Cb 0.10 -2.45 -0.11 0.00 -0.22 0.00 0.00 33.01 30.33 1kya s GLN 252 CO 0.14 -1.01 1.48 0.00 -0.25 0.00 0.00 175.29 175.66 1kya n ALA 253 N -2.51 2.32 -1.68 6.09 0.00 -1.26 -4.85 120.51 118.62 1kya n ALA 253 Ca 0.12 0.34 -0.49 0.00 0.00 0.00 0.00 53.44 53.41 1kya n ALA 253 Cb 0.60 -2.41 -0.05 0.00 0.00 0.00 0.00 19.45 17.59 1kya n ALA 253 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1kya n VAL 254 N 0.54 0.57 -3.95 0.00 0.31 -1.26 -4.84 118.33 109.69 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 0.39 -1.85 0.01 0.00 -0.91 0.00 0.00 33.84 31.48 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 6.69 -0.95 -4.69 4.52 -0.08 -1.26 -4.87 116.55 115.91 1kya n ASP 255 Ca 0.23 -1.23 -0.35 0.00 -1.51 0.00 0.00 54.79 51.93 1kya n ASP 255 Cb 0.29 1.47 -0.09 0.00 2.34 0.00 0.00 41.12 45.13 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 -3.12 5.85 -0.02 1.67 0.01 -1.26 -2.15 114.94 115.91 1kya s ASN 256 Ca 0.22 0.17 0.06 0.00 -0.71 0.00 0.00 52.86 52.60 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 0.21 -0.21 -0.31 -1.51 0.00 0.00 177.10 175.28 1kya s TYR 257 N 0.15 1.96 0.10 2.20 1.51 0.11 -4.47 117.35 118.91 1kya s TYR 257 Ca 0.06 -0.42 -0.31 0.00 -1.01 0.00 0.00 57.07 55.40 1kya s TYR 257 Cb -0.12 -1.27 -0.07 0.00 -0.11 0.00 0.00 41.96 40.39 1kya s TYR 257 CO -0.00 -0.07 1.28 -1.58 -1.11 0.00 0.00 175.55 174.07 1kya s TRP 258 N -0.41 3.35 -0.33 2.71 0.23 -1.26 -0.71 118.94 122.52 1kya s TRP 258 Ca 0.06 1.17 -0.10 0.00 -2.03 0.00 0.00 56.10 55.20 1kya s TRP 258 Cb -0.09 -3.54 0.00 0.00 0.03 0.00 0.00 33.47 29.87 1kya s TRP 258 CO -0.00 -1.75 0.17 0.42 0.96 0.00 0.00 176.95 176.74 1kya s ILE 259 N 0.90 4.56 -0.11 2.03 1.01 -0.41 -1.92 121.20 127.26 1kya s ILE 259 Ca 0.60 -0.57 -0.03 0.00 0.00 0.00 0.00 60.65 60.65 1kya s ILE 259 Cb -0.33 -3.40 -0.03 0.00 0.01 0.00 0.00 42.46 38.71 1kya s ILE 259 CO 0.31 -0.03 0.02 -0.13 0.00 0.00 0.00 174.94 175.11 1kya s ARG 260 N 1.59 3.20 -0.44 2.79 0.52 0.33 -0.94 118.95 126.00 1kya s ARG 260 Ca 0.04 -0.38 0.03 0.00 -0.52 0.00 0.00 55.73 54.90 1kya s ARG 260 Cb -0.18 -2.89 0.16 0.00 0.52 0.00 0.00 34.95 32.56 1kya s ARG 260 CO 0.06 0.62 0.33 0.00 0.02 0.00 0.00 175.30 176.34 1kya s ALA 261 N -0.65 1.68 -0.31 2.13 0.00 -0.74 -1.01 121.76 122.87 1kya s ALA 261 Ca 0.11 -2.55 -0.26 0.00 0.00 0.00 0.00 51.96 49.26 1kya s ALA 261 Cb -0.12 -1.69 0.01 0.00 0.00 0.00 0.00 23.12 21.32 1kya s ALA 261 CO 0.02 -2.01 0.89 1.21 0.00 0.00 0.00 175.76 175.87 1kya s ASN 262 N 0.03 6.77 0.55 0.00 2.47 -0.87 -4.77 114.94 119.13 1kya s ASN 262 Ca 0.29 0.83 -0.17 0.00 0.42 0.00 0.00 52.86 54.22 1kya s ASN 262 Cb -0.03 -2.46 -0.06 0.00 -1.45 0.00 0.00 41.25 37.25 1kya s ASN 262 CO -0.15 -0.70 1.04 -2.16 -3.72 0.00 0.00 177.10 171.40 1kya s PRO 263 N 3.19 3.58 0.53 0.43 0.04 -1.26 -1.22 135.00 140.29 1kya s PRO 263 Ca 0.37 1.21 0.31 0.00 0.04 0.00 0.00 61.00 62.93 1kya s PRO 263 Cb -0.14 -2.07 1.42 0.00 0.04 0.00 0.00 34.50 33.75 1kya s PRO 263 CO 0.13 -0.60 2.02 -2.95 0.04 0.00 0.00 177.00 175.64 1kya h ASN 264 N 0.87 0.00 -5.09 6.66 -1.07 -1.83 -3.45 115.58 111.67 1kya h ASN 264 Ca -0.48 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 55.89 1kya h ASN 264 Cb 1.21 0.00 -0.09 0.00 -2.07 0.00 0.00 38.32 37.37 1kya h ASN 264 CO 0.59 0.08 0.06 0.72 0.07 0.00 0.00 177.43 178.95 1kya s PHE 265 N -3.85 -0.08 0.00 4.14 -0.12 -1.26 -5.05 117.98 111.75 1kya s PHE 265 Ca -0.01 -0.28 0.00 0.00 -0.05 0.00 0.00 56.93 56.59 1kya s PHE 265 Cb 0.11 0.44 0.00 0.00 -0.63 0.00 0.00 43.02 42.93 1kya s PHE 265 CO 0.56 -0.99 0.00 0.41 -0.05 0.00 0.00 175.22 175.15 1kya n GLY 266 N -0.37 0.89 3.44 1.99 0.00 -1.26 -4.49 105.19 105.38 1kya n GLY 266 Ca -0.08 -1.55 -0.44 0.00 0.00 0.00 0.00 46.02 43.95 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 6.50 0.52 1.61 0.01 -1.25 -4.96 114.94 113.37 1kya s ASN 267 Ca 0.00 -1.79 -0.02 0.00 -0.71 0.00 0.00 52.86 50.33 1kya s ASN 267 Cb 0.00 -2.39 0.01 0.00 0.41 0.00 0.00 41.25 39.28 1kya s ASN 267 CO 0.00 -1.13 0.78 0.68 -1.51 0.00 0.00 177.10 175.92 1kya s VAL 268 N 2.88 3.74 0.00 1.60 -7.23 -1.26 -4.79 120.40 115.34 1kya s VAL 268 Ca 0.28 -0.29 0.00 0.00 -1.81 0.00 0.00 61.98 60.16 1kya s VAL 268 Cb -0.09 -3.43 0.00 0.00 0.56 0.00 0.00 36.38 33.42 1kya s VAL 268 CO -0.04 -0.36 0.00 0.61 -0.31 0.00 0.00 175.10 175.00 1kya n GLY 269 N -2.32 -1.90 0.33 2.32 0.00 -1.26 -4.81 105.19 97.55 1kya n GLY 269 Ca 0.03 -1.85 0.02 0.00 0.00 0.00 0.00 46.02 44.22 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 -0.01 0.00 -1.71 1.61 3.72 -1.26 -4.56 117.46 115.25 1kya n PHE 270 Ca 0.00 -0.20 -0.43 0.00 -0.05 0.00 0.00 57.45 56.77 1kya n PHE 270 Cb 0.00 -0.06 -0.03 0.00 -0.94 0.00 0.00 39.48 38.45 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 -0.28 0.61 -0.96 4.37 -1.04 -1.26 -1.05 114.28 114.67 1kya n THR 271 Ca 0.03 -0.15 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 1kya n THR 271 Cb 0.64 -1.78 0.00 0.00 -1.82 0.00 0.00 70.33 67.37 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 2.77 0.36 1.70 3.41 0.00 -1.26 -3.07 105.19 109.09 1kya n GLY 272 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.52 0.55 3.65 -0.02 0.00 -0.21 -4.71 105.19 102.93 1kya n GLY 273 Ca 0.00 -0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.00 2.21 -1.09 -0.61 -4.36 -1.18 -3.41 121.20 110.76 1kya s ILE 274 Ca 0.00 0.07 -0.05 0.00 -0.26 0.00 0.00 60.65 60.41 1kya s ILE 274 Cb 0.00 -2.45 0.04 0.00 1.25 0.00 0.00 42.46 41.30 1kya s ILE 274 CO 0.00 -0.09 0.25 0.59 0.24 0.00 0.00 174.94 175.93 1kya n ASN 275 N -4.27 -3.59 -4.20 4.36 5.03 -1.26 -4.53 115.26 106.79 1kya n ASN 275 Ca 0.05 -0.08 -0.12 0.00 0.87 0.00 0.00 54.58 55.31 1kya n ASN 275 Cb 0.56 -3.02 -0.10 0.00 -1.02 0.00 0.00 39.78 36.19 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 -2.38 0.76 0.35 6.41 0.01 -1.22 -1.78 113.70 115.85 1kya s SER 276 Ca 0.20 -1.21 -0.05 0.00 1.31 0.00 0.00 55.95 56.21 1kya s SER 276 Cb -0.11 0.21 0.01 0.00 0.21 0.00 0.00 66.02 66.34 1kya s SER 276 CO 0.25 -0.66 0.52 0.00 0.41 0.00 0.00 173.24 173.76 1kya s ALA 277 N -3.86 0.51 -0.08 1.44 0.00 -0.12 -4.72 121.76 114.93 1kya s ALA 277 Ca 0.25 -1.38 0.03 0.00 0.00 0.00 0.00 51.96 50.86 1kya s ALA 277 Cb 0.07 1.08 0.01 0.00 0.00 0.00 0.00 23.12 24.28 1kya s ALA 277 CO 0.04 -0.82 -0.19 0.42 0.00 0.00 0.00 175.76 175.21 1kya s ILE 278 N -2.98 1.64 -0.34 0.00 1.01 -0.09 -1.29 121.20 119.14 1kya s ILE 278 Ca 0.28 -0.78 -0.12 0.00 0.00 0.00 0.00 60.65 60.03 1kya s ILE 278 Cb -0.01 -1.44 -0.01 0.00 0.01 0.00 0.00 42.46 41.00 1kya s ILE 278 CO 0.19 0.47 0.23 -0.22 0.00 0.00 0.00 174.94 175.60 1kya s LEU 279 N 0.48 4.52 -0.23 2.97 2.96 0.11 0.40 118.68 129.89 1kya s LEU 279 Ca -0.17 -0.52 0.01 0.00 -0.22 0.00 0.00 54.13 53.23 1kya s LEU 279 Cb -0.17 -2.11 0.04 0.00 0.50 0.00 0.00 46.19 44.45 1kya s LEU 279 CO 0.07 -0.26 -0.13 -0.60 -1.32 0.00 0.00 176.35 174.11 1kya s ARG 280 N 1.69 2.63 0.42 1.98 3.52 -0.16 0.04 118.95 129.07 1kya s ARG 280 Ca 0.06 -1.09 -0.24 0.00 -0.13 0.00 0.00 55.73 54.33 1kya s ARG 280 Cb -0.18 -2.80 -0.08 0.00 -1.56 0.00 0.00 34.95 30.33 1kya s ARG 280 CO 0.10 -0.41 1.14 0.71 -0.81 0.00 0.00 175.30 176.03 1kya s TYR 281 N 1.22 3.05 0.24 5.12 1.51 -0.92 -2.65 117.35 124.91 1kya s TYR 281 Ca -0.02 1.57 -0.31 0.00 -1.01 0.00 0.00 57.07 57.29 1kya s TYR 281 Cb -0.17 -3.33 -0.12 0.00 -0.11 0.00 0.00 41.96 38.23 1kya s TYR 281 CO -0.08 -1.24 1.69 -0.25 -1.11 0.00 0.00 175.55 174.57 1kya n ASP 282 N -0.14 3.98 0.00 2.29 8.00 -0.70 -0.83 116.55 129.14 1kya n ASP 282 Ca 0.05 1.09 0.00 0.00 0.71 0.00 0.00 54.79 56.64 1kya n ASP 282 Cb 0.48 -1.58 0.00 0.00 -0.02 0.00 0.00 41.12 39.99 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 3.41 2.45 3.80 0.44 0.00 -1.26 -4.85 105.19 109.18 1kya n GLY 283 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.59 2.96 0.60 4.61 0.00 -0.01 -4.98 121.76 122.35 1kya s ALA 284 Ca 0.00 0.54 -0.16 0.00 0.00 0.00 0.00 51.96 52.34 1kya s ALA 284 Cb 0.00 -3.21 -0.03 0.00 0.00 0.00 0.00 23.12 19.87 1kya s ALA 284 CO 0.00 -0.13 1.07 0.00 0.00 0.00 0.00 175.76 176.71 1kya s ALA 285 N -2.01 2.68 -1.19 0.00 0.00 -1.26 -4.93 121.76 115.05 1kya s ALA 285 Ca 0.64 0.45 -0.18 0.00 0.00 0.00 0.00 51.96 52.87 1kya s ALA 285 Cb -0.14 -3.26 0.10 0.00 0.00 0.00 0.00 23.12 19.82 1kya s ALA 285 CO 0.18 -0.89 1.56 0.00 0.00 0.00 0.00 175.76 176.61 1kya s ALA 286 N -2.38 3.38 0.20 0.00 0.00 -1.26 -4.88 121.76 116.82 1kya s ALA 286 Ca 0.65 -2.89 -0.04 0.00 0.00 0.00 0.00 51.96 49.67 1kya s ALA 286 Cb -0.17 -4.45 -0.03 0.00 0.00 0.00 0.00 23.12 18.47 1kya s ALA 286 CO 0.37 -3.20 0.22 0.14 0.00 0.00 0.00 175.76 173.28 1kya s VAL 287 N 3.60 0.01 0.57 0.00 -7.23 -1.26 -5.15 120.40 110.93 1kya s VAL 287 Ca 0.48 -1.82 -0.16 0.00 -1.81 0.00 0.00 61.98 58.67 1kya s VAL 287 Cb 0.01 -2.36 -0.05 0.00 0.56 0.00 0.00 36.38 34.54 1kya s VAL 287 CO 0.01 -0.05 1.04 -1.61 -0.31 0.00 0.00 175.10 174.18 1kya s GLU 288 N -4.11 3.48 0.94 4.82 2.02 -1.26 -4.96 118.70 119.64 1kya s GLU 288 Ca 0.33 1.17 -0.13 0.00 0.02 0.00 0.00 54.97 56.35 1kya s GLU 288 Cb 0.05 -2.06 0.15 0.00 0.10 0.00 0.00 34.13 32.38 1kya s GLU 288 CO 0.10 -0.67 1.14 -2.14 0.02 0.00 0.00 175.26 173.71 1kya s PRO 289 N -4.01 0.91 0.00 0.39 0.02 -1.26 -4.97 135.00 126.08 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 -0.15 -1.82 0.00 0.00 0.02 0.00 0.00 34.50 32.55 1kya s PRO 289 CO 0.34 -2.34 0.72 0.25 -0.33 0.00 0.00 177.00 175.64 1kya n THR 290 N -3.85 0.00 -2.15 0.99 -2.24 -1.26 -4.99 114.28 100.77 1kya n THR 290 Ca 0.07 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.51 1kya n THR 290 Cb 0.59 0.60 0.01 0.00 -2.10 0.00 0.00 70.33 69.43 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 3.25 0.06 4.28 -4.23 -1.26 -5.03 115.64 112.71 1kya s THR 291 Ca 0.00 0.73 0.02 0.00 -1.18 0.00 0.00 61.69 61.26 1kya s THR 291 Cb 0.00 -3.26 -0.04 0.00 1.34 0.00 0.00 72.50 70.54 1kya s THR 291 CO 0.00 -0.22 0.08 0.42 -0.54 0.00 0.00 174.62 174.35 1kya s THR 292 N -1.95 4.57 0.23 3.99 -4.23 -1.26 -4.82 115.64 112.18 1kya s THR 292 Ca 0.71 -0.67 -0.30 0.00 -1.18 0.00 0.00 61.69 60.25 1kya s THR 292 Cb -0.22 -3.17 -0.09 0.00 1.34 0.00 0.00 72.50 70.36 1kya s THR 292 CO 0.30 0.19 1.00 -1.58 -0.54 0.00 0.00 174.62 174.00 1kya s GLN 293 N -2.20 4.76 0.33 3.99 0.74 -1.26 -4.76 119.66 121.26 1kya s GLN 293 Ca 0.27 1.60 0.09 0.00 0.05 0.00 0.00 55.36 57.37 1kya s GLN 293 Cb -0.12 -3.26 -0.05 0.00 1.10 0.00 0.00 33.01 30.68 1kya s GLN 293 CO 0.20 0.36 0.05 0.95 -0.55 0.00 0.00 175.29 176.30 1kya s THR 294 N -0.98 2.87 0.33 -0.34 -4.23 -1.26 -5.10 115.64 106.94 1kya s THR 294 Ca 0.43 -1.88 -0.29 0.00 -1.18 0.00 0.00 61.69 58.78 1kya s THR 294 Cb -0.28 -2.85 -0.11 0.00 1.34 0.00 0.00 72.50 70.60 1kya s THR 294 CO 0.35 -0.22 1.43 -0.89 -0.54 0.00 0.00 174.62 174.74 1kya s THR 295 N -2.46 2.39 -0.20 3.99 2.01 -1.26 -4.96 115.64 115.15 1kya s THR 295 Ca 0.35 0.37 -0.29 0.00 0.31 0.00 0.00 61.69 62.44 1kya s THR 295 Cb -0.02 -3.24 0.00 0.00 0.01 0.00 0.00 72.50 69.26 1kya s THR 295 CO 0.20 0.08 1.00 -0.55 -0.69 0.00 0.00 174.62 174.67 1kya s SER 296 N -0.11 7.10 0.00 3.53 0.15 -1.26 -4.90 113.70 118.21 1kya s SER 296 Ca 0.54 1.37 0.11 0.00 0.70 0.00 0.00 55.95 58.67 1kya s SER 296 Cb -0.43 -2.53 0.05 0.00 -1.71 0.00 0.00 66.02 61.39 1kya s SER 296 CO 0.55 -0.59 0.78 0.35 1.20 0.00 0.00 173.24 175.53 1kya n THR 297 N 5.11 0.00 -2.88 6.45 -2.24 -1.26 -4.64 114.28 114.82 1kya n THR 297 Ca 0.10 -0.45 -0.14 0.00 -2.27 0.00 0.00 64.05 61.29 1kya n THR 297 Cb 0.47 1.19 0.00 0.00 -2.10 0.00 0.00 70.33 69.89 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 0.25 2.94 -1.74 6.98 0.00 -1.26 -5.01 120.51 122.67 1kya n ALA 298 Ca 0.06 -3.35 -0.40 0.00 0.00 0.00 0.00 53.44 49.75 1kya n ALA 298 Cb 0.27 -0.91 0.02 0.00 0.00 0.00 0.00 19.45 18.83 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 0.06 2.06 -2.13 0.00 -0.02 -1.26 -0.09 135.00 133.61 1kya n PRO 299 Ca 0.18 0.74 -0.41 0.00 -2.02 0.00 0.00 63.50 61.99 1kya n PRO 299 Cb 0.73 -2.56 -0.02 0.00 -0.02 0.00 0.00 33.50 31.63 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 -2.59 4.43 -0.13 2.45 2.96 -0.43 -4.86 118.68 120.52 1kya s LEU 300 Ca 0.63 2.63 -0.02 0.00 -0.22 0.00 0.00 54.13 57.16 1kya s LEU 300 Cb -0.46 -3.64 0.04 0.00 0.50 0.00 0.00 46.19 42.63 1kya s LEU 300 CO 0.56 -0.53 -0.00 0.21 -1.32 0.00 0.00 176.35 175.26 1kya s ASN 301 N -0.31 2.23 0.39 3.68 3.84 -1.26 -4.77 114.94 118.74 1kya s ASN 301 Ca 0.51 -0.42 0.22 0.00 0.21 0.00 0.00 52.86 53.38 1kya s ASN 301 Cb -0.39 -0.59 1.27 0.00 -0.55 0.00 0.00 41.25 40.98 1kya s ASN 301 CO 0.49 -0.22 1.64 -0.08 -2.79 0.00 0.00 177.10 176.14 1kya h GLU 302 N 8.26 0.17 -0.10 0.43 4.81 -1.94 1.08 114.58 127.29 1kya h GLU 302 Ca -0.20 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.05 1kya h GLU 302 Cb 1.12 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.46 1kya h GLU 302 CO 0.32 0.11 0.13 0.28 -0.73 0.00 0.00 179.01 179.12 1kya h VAL 303 N 0.17 0.41 -0.01 0.32 2.07 -1.95 0.63 116.25 117.89 1kya h VAL 303 Ca 0.78 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.30 1kya h VAL 303 Cb 2.11 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 32.77 1kya h VAL 303 CO -0.55 0.00 -0.06 0.59 0.02 0.00 0.00 177.57 177.56 1kya n ASN 304 N -3.68 0.98 -4.74 0.57 3.02 0.37 -4.86 115.26 106.92 1kya n ASN 304 Ca -0.00 -1.14 -0.39 0.00 -0.03 0.00 0.00 54.58 53.02 1kya n ASN 304 Cb 0.23 0.01 -0.05 0.00 -0.61 0.00 0.00 39.78 39.36 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 -2.17 4.34 0.01 3.41 1.43 0.21 -4.99 118.68 120.92 1kya s LEU 305 Ca 0.36 1.04 0.01 0.00 -1.03 0.00 0.00 54.13 54.51 1kya s LEU 305 Cb 0.21 -2.88 -0.01 0.00 0.03 0.00 0.00 46.19 43.54 1kya s LEU 305 CO 0.40 0.01 -0.04 -1.00 0.23 0.00 0.00 176.35 175.94 1kya s HIS 306 N 0.36 0.37 0.51 0.29 3.76 -1.26 -3.34 115.29 115.98 1kya s HIS 306 Ca 0.31 -0.27 -0.23 0.00 -0.15 0.00 0.00 55.06 54.72 1kya s HIS 306 Cb -0.17 -0.24 -0.07 0.00 1.11 0.00 0.00 32.58 33.22 1kya s HIS 306 CO 0.15 -0.06 1.26 -2.30 -0.85 0.00 0.00 174.74 172.94 1kya n PRO 307 N 2.31 1.66 -0.12 8.40 -0.02 -1.26 -0.42 135.00 145.54 1kya n PRO 307 Ca -0.18 0.60 -0.10 0.00 -2.02 0.00 0.00 63.50 61.80 1kya n PRO 307 Cb 0.57 -2.44 -0.02 0.00 -0.02 0.00 0.00 33.50 31.59 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 1.53 0.60 -9.63 2.45 5.85 -0.84 -3.36 115.31 111.90 1kya h LEU 308 Ca -0.49 -0.29 -0.67 0.00 0.84 0.00 0.00 57.88 57.27 1kya h LEU 308 Cb 1.31 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 42.11 1kya h LEU 308 CO 0.57 0.74 -0.47 -0.69 -0.34 0.00 0.00 178.44 178.25 1kya s VAL 309 N -5.08 5.49 0.04 1.05 1.01 -1.26 -4.81 120.40 116.84 1kya s VAL 309 Ca -0.13 0.23 -0.34 0.00 0.00 0.00 0.00 61.98 61.74 1kya s VAL 309 Cb 0.09 -3.41 -0.13 0.00 0.00 0.00 0.00 36.38 32.93 1kya s VAL 309 CO 0.77 0.61 1.72 0.00 0.00 0.00 0.00 175.10 178.21 1kya n ALA 310 N 2.01 1.08 -3.72 5.51 0.00 -1.26 -4.95 120.51 119.19 1kya n ALA 310 Ca -0.20 0.37 -0.25 0.00 0.00 0.00 0.00 53.44 53.36 1kya n ALA 310 Cb 0.55 -2.42 -0.17 0.00 0.00 0.00 0.00 19.45 17.41 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 2.44 0.31 0.25 0.00 2.01 -1.26 -5.13 115.64 114.27 1kya s THR 311 Ca 0.86 -0.18 -0.30 0.00 0.31 0.00 0.00 61.69 62.37 1kya s THR 311 Cb -0.69 -0.71 -0.10 0.00 0.01 0.00 0.00 72.50 71.00 1kya s THR 311 CO 0.45 -0.04 1.44 0.00 -0.69 0.00 0.00 174.62 175.77 1kya s ALA 312 N 1.97 3.62 -0.05 7.40 0.00 -1.26 -4.91 121.76 128.54 1kya s ALA 312 Ca 0.02 1.33 -0.30 0.00 0.00 0.00 0.00 51.96 53.01 1kya s ALA 312 Cb -0.15 -3.56 -0.03 0.00 0.00 0.00 0.00 23.12 19.38 1kya s ALA 312 CO -0.07 -0.75 1.20 0.08 0.00 0.00 0.00 175.76 176.23 1kya s VAL 313 N -0.05 4.24 0.52 0.00 1.01 -1.26 -4.98 120.40 119.89 1kya s VAL 313 Ca 0.59 1.57 -0.22 0.00 0.00 0.00 0.00 61.98 63.92 1kya s VAL 313 Cb -0.42 -4.01 -0.07 0.00 0.00 0.00 0.00 36.38 31.88 1kya s VAL 313 CO 0.44 0.00 1.15 -0.81 0.00 0.00 0.00 175.10 175.88 1kya n PRO 314 N 5.16 1.40 0.00 2.72 -0.04 -1.26 -4.71 135.00 138.27 1kya n PRO 314 Ca 0.11 0.52 0.00 0.00 -0.04 0.00 0.00 63.50 64.08 1kya n PRO 314 Cb 0.46 -2.31 0.00 0.00 -0.04 0.00 0.00 33.50 31.61 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 1.02 -0.79 3.44 0.55 0.00 -1.26 -4.93 105.19 103.21 1kya n GLY 315 Ca 0.11 -1.47 -0.30 0.00 0.00 0.00 0.00 46.02 44.36 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 3.62 -0.07 1.61 0.01 0.14 -5.02 113.70 109.98 1kya s SER 316 Ca 0.00 -0.59 -0.01 0.00 1.31 0.00 0.00 55.95 56.65 1kya s SER 316 Cb 0.00 -0.43 -0.04 0.00 0.21 0.00 0.00 66.02 65.75 1kya s SER 316 CO 0.00 0.20 1.17 -0.81 0.41 0.00 0.00 173.24 174.22 1kya n PRO 317 N 1.10 0.47 -3.72 12.44 -0.04 -1.26 -4.36 135.00 139.62 1kya n PRO 317 Ca -0.17 -0.34 -0.14 0.00 -0.04 0.00 0.00 63.50 62.82 1kya n PRO 317 Cb 0.53 -1.72 -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 3.02 0.04 0.22 0.52 1.01 -1.26 -5.02 120.40 118.94 1kya s VAL 318 Ca 0.13 -0.37 -0.32 0.00 0.00 0.00 0.00 61.98 61.42 1kya s VAL 318 Cb 0.06 -0.68 -0.13 0.00 0.00 0.00 0.00 36.38 35.63 1kya s VAL 318 CO -0.00 -0.20 1.53 0.00 0.00 0.00 0.00 175.10 176.43 1kya n ALA 319 N 1.29 1.68 -0.30 5.51 0.00 -1.26 -0.67 120.51 126.76 1kya n ALA 319 Ca -0.21 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1kya n ALA 319 Cb 0.56 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.65 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 2.73 1.32 3.04 0.00 0.00 -1.26 -4.84 105.19 106.17 1kya n GLY 320 Ca 0.13 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.99 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 1.76 3.41 -0.02 0.00 0.16 -4.67 105.19 103.82 1kya n GLY 321 Ca 0.00 -0.43 -0.10 0.00 0.00 0.00 0.00 46.02 45.50 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 5.11 0.05 0.03 1.61 0.11 -1.26 0.23 120.40 126.28 1kya s VAL 322 Ca 0.25 -1.31 -0.25 0.00 -2.93 0.00 0.00 61.98 57.73 1kya s VAL 322 Cb 0.06 -1.88 -0.17 0.00 -1.53 0.00 0.00 36.38 32.85 1kya s VAL 322 CO 0.07 -0.21 1.45 0.44 -3.33 0.00 0.00 175.10 173.52 1kya h ASP 323 N 2.44 -0.16 -3.25 3.54 3.32 -1.71 -3.43 116.42 117.17 1kya h ASP 323 Ca -0.30 -0.19 -0.49 0.00 0.02 0.00 0.00 57.03 56.06 1kya h ASP 323 Cb 1.24 0.04 -0.37 0.00 0.22 0.00 0.00 39.33 40.46 1kya h ASP 323 CO 0.44 0.10 -0.79 -0.22 -1.72 0.00 0.00 179.24 177.06 1kya s LEU 324 N -9.70 1.08 -0.09 1.55 0.20 -0.91 -5.01 118.68 105.80 1kya s LEU 324 Ca -0.15 -0.23 0.03 0.00 0.69 0.00 0.00 54.13 54.47 1kya s LEU 324 Cb 0.03 -0.70 -0.02 0.00 -0.43 0.00 0.00 46.19 45.08 1kya s LEU 324 CO 0.63 -0.12 -0.18 0.00 -0.29 0.00 0.00 176.35 176.39 1kya s ALA 325 N 1.61 2.47 -0.03 5.97 0.00 -1.26 -1.90 121.76 128.61 1kya s ALA 325 Ca 0.02 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 51.03 1kya s ALA 325 Cb -0.13 -0.96 0.01 0.00 0.00 0.00 0.00 23.12 22.03 1kya s ALA 325 CO -0.06 0.38 -0.06 0.42 0.00 0.00 0.00 175.76 176.44 1kya s ILE 326 N -0.08 0.59 -0.15 0.00 1.01 -0.03 -4.98 121.20 117.56 1kya s ILE 326 Ca -0.04 -0.24 -0.05 0.00 0.00 0.00 0.00 60.65 60.33 1kya s ILE 326 Cb -0.14 -0.55 -0.03 0.00 0.01 0.00 0.00 42.46 41.74 1kya s ILE 326 CO 0.04 0.20 0.02 0.21 0.00 0.00 0.00 174.94 175.41 1kya s ASN 327 N 0.36 5.27 -0.65 3.58 3.84 -1.26 -1.68 114.94 124.39 1kya s ASN 327 Ca -0.05 0.03 -0.14 0.00 0.21 0.00 0.00 52.86 52.92 1kya s ASN 327 Cb -0.09 -1.80 0.17 0.00 -0.55 0.00 0.00 41.25 38.98 1kya s ASN 327 CO 0.00 0.22 0.58 -0.04 -2.79 0.00 0.00 177.10 175.08 1kya s MET 328 N 0.05 3.14 -0.64 0.43 -1.94 0.29 -4.92 119.30 115.72 1kya s MET 328 Ca 0.03 -2.06 -0.26 0.00 -1.71 0.00 0.00 55.69 51.69 1kya s MET 328 Cb -0.13 -4.27 0.04 0.00 2.01 0.00 0.00 34.83 32.48 1kya s MET 328 CO 0.02 -1.29 1.15 0.00 -0.01 0.00 0.00 175.02 174.89 1kya s ALA 329 N 0.91 2.96 0.35 3.03 0.00 -1.26 -4.10 121.76 123.65 1kya s ALA 329 Ca 0.10 -1.21 -0.27 0.00 0.00 0.00 0.00 51.96 50.58 1kya s ALA 329 Cb -0.21 -4.04 -0.09 0.00 0.00 0.00 0.00 23.12 18.78 1kya s ALA 329 CO -0.02 -2.84 1.18 -0.06 0.00 0.00 0.00 175.76 174.01 1kya s PHE 330 N 4.94 3.20 0.18 0.00 0.08 -1.26 -0.69 117.98 124.43 1kya s PHE 330 Ca 0.35 1.56 -0.18 0.00 0.12 0.00 0.00 56.93 58.78 1kya s PHE 330 Cb -0.10 -3.42 0.04 0.00 -0.57 0.00 0.00 43.02 38.97 1kya s PHE 330 CO 0.19 -1.22 0.52 1.21 -0.10 0.00 0.00 175.22 175.82 1kya s ASN 331 N -0.94 -0.31 -0.19 1.36 3.04 -0.20 -4.65 114.94 113.06 1kya s ASN 331 Ca 0.52 -0.37 -0.14 0.00 0.04 0.00 0.00 52.86 52.92 1kya s ASN 331 Cb -0.33 0.57 0.06 0.00 -1.54 0.00 0.00 41.25 40.01 1kya s ASN 331 CO 0.42 -1.01 0.47 0.12 -3.04 0.00 0.00 177.10 174.06 1kya s PHE 332 N -3.84 -0.62 -0.16 0.43 5.36 -0.77 0.12 117.98 118.51 1kya s PHE 332 Ca 0.07 1.38 0.15 0.00 -0.96 0.00 0.00 56.93 57.56 1kya s PHE 332 Cb -0.01 0.27 0.42 0.00 -0.34 0.00 0.00 43.02 43.36 1kya s PHE 332 CO -0.06 -0.32 1.21 0.27 -1.46 0.00 0.00 175.22 174.86 1kya n ASN 333 N 3.58 1.54 0.00 6.13 0.23 -1.02 -4.93 115.26 120.79 1kya n ASN 333 Ca -0.18 -3.42 0.00 0.00 -0.53 0.00 0.00 54.58 50.45 1kya n ASN 333 Cb 0.56 -0.47 0.00 0.00 -2.08 0.00 0.00 39.78 37.79 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 -0.71 2.23 0.00 4.83 0.00 -1.26 -4.71 105.19 105.58 1kya n GLY 334 Ca 0.16 -0.64 0.08 0.00 0.00 0.00 0.00 46.02 45.62 1kya n GLY 334 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1kya n THR 335 N 0.00 0.00 -4.02 2.61 -2.24 -1.26 -5.01 114.28 104.36 1kya n THR 335 Ca 0.00 -0.17 -0.13 0.00 -2.27 0.00 0.00 64.05 61.47 1kya n THR 335 Cb 0.00 0.79 -0.13 0.00 -2.10 0.00 0.00 70.33 68.88 1kya n THR 335 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1kya s ASN 336 N -2.92 0.37 0.24 3.42 0.01 -1.26 -4.84 114.94 109.95 1kya s ASN 336 Ca 0.03 -0.16 -0.02 0.00 -0.71 0.00 0.00 52.86 52.00 1kya s ASN 336 Cb 0.12 -0.01 -0.05 0.00 0.41 0.00 0.00 41.25 41.73 1kya s ASN 336 CO 0.70 -0.03 0.46 -0.36 -1.51 0.00 0.00 177.10 176.35 1kya s PHE 337 N -0.39 3.48 0.03 2.20 0.08 -0.06 -2.44 117.98 120.88 1kya s PHE 337 Ca -0.02 0.45 0.02 0.00 0.12 0.00 0.00 56.93 57.50 1kya s PHE 337 Cb -0.03 -1.95 -0.02 0.00 -0.57 0.00 0.00 43.02 40.45 1kya s PHE 337 CO -0.00 0.30 -0.06 -0.06 -0.10 0.00 0.00 175.22 175.29 1kya s PHE 338 N -1.96 0.55 -0.16 0.36 0.08 0.12 -4.19 117.98 112.79 1kya s PHE 338 Ca 0.40 -0.44 -0.03 0.00 0.12 0.00 0.00 56.93 56.98 1kya s PHE 338 Cb -0.11 -0.34 0.05 0.00 -0.57 0.00 0.00 43.02 42.05 1kya s PHE 338 CO 0.29 -0.09 0.05 0.42 -0.10 0.00 0.00 175.22 175.80 1kya s ILE 339 N -1.21 0.23 -1.28 0.64 1.01 0.13 -1.03 121.20 119.69 1kya s ILE 339 Ca -0.09 -0.24 -0.03 0.00 0.00 0.00 0.00 60.65 60.29 1kya s ILE 339 Cb -0.09 -0.72 0.01 0.00 0.01 0.00 0.00 42.46 41.67 1kya s ILE 339 CO 0.00 -0.14 0.99 0.59 0.00 0.00 0.00 174.94 176.38 1kya n ASN 340 N 5.17 -3.07 -0.02 3.58 5.03 0.14 -2.05 115.26 124.04 1kya n ASN 340 Ca -0.07 -0.65 -0.00 0.00 0.87 0.00 0.00 54.58 54.72 1kya n ASN 340 Cb 0.48 -4.83 -0.00 0.00 -1.02 0.00 0.00 39.78 34.42 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 -1.45 0.27 3.21 7.41 0.00 -1.26 -5.00 105.19 108.37 1kya n GLY 341 Ca -0.20 -0.01 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.52 1.65 -0.28 4.61 0.00 -0.87 -5.08 121.76 120.27 1kya s ALA 342 Ca 0.00 -0.90 -0.01 0.00 0.00 0.00 0.00 51.96 51.05 1kya s ALA 342 Cb 0.00 -0.39 0.04 0.00 0.00 0.00 0.00 23.12 22.77 1kya s ALA 342 CO 0.00 0.39 -0.04 0.45 0.00 0.00 0.00 175.76 176.57 1kya s SER 343 N -0.66 4.62 0.38 0.00 0.15 -1.26 0.17 113.70 117.10 1kya s SER 343 Ca 0.07 -1.13 -0.26 0.00 0.70 0.00 0.00 55.95 55.32 1kya s SER 343 Cb -0.08 -1.68 -0.11 0.00 -1.71 0.00 0.00 66.02 62.44 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 1.90 -3.58 3.44 7.35 -0.15 -4.94 117.46 126.11 1kya n PHE 344 Ca -0.15 0.55 -0.10 0.00 -0.76 0.00 0.00 57.45 57.00 1kya n PHE 344 Cb 0.45 -2.35 -0.10 0.00 0.35 0.00 0.00 39.48 37.83 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 -1.16 -0.60 -0.25 -2.13 -1.32 -1.26 -3.95 115.64 104.97 1kya s THR 345 Ca 0.59 0.12 -0.43 0.00 -1.21 0.00 0.00 61.69 60.76 1kya s THR 345 Cb -0.56 -0.67 -0.20 0.00 -1.51 0.00 0.00 72.50 69.56 1kya s THR 345 CO 0.60 0.02 1.38 -2.65 -2.21 0.00 0.00 174.62 171.76 1kya n PRO 346 N 5.38 0.14 -2.25 7.08 -0.02 -1.26 -4.58 135.00 139.48 1kya n PRO 346 Ca -0.07 0.05 -0.31 0.00 -2.02 0.00 0.00 63.50 61.15 1kya n PRO 346 Cb 0.50 -1.57 -0.02 0.00 -0.02 0.00 0.00 33.50 32.39 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 1.70 3.78 0.24 0.52 0.04 -1.26 -4.97 135.00 135.05 1kya s PRO 347 Ca 0.98 0.79 -0.01 0.00 0.04 0.00 0.00 61.00 62.80 1kya s PRO 347 Cb -1.35 -2.15 0.28 0.00 0.04 0.00 0.00 34.50 31.32 1kya s PRO 347 CO 0.69 -0.36 1.66 1.79 0.04 0.00 0.00 177.00 180.83 1kya h THR 348 N 0.43 1.27 -3.81 1.26 1.35 -1.92 -3.41 112.91 108.08 1kya h THR 348 Ca -0.46 -1.33 -0.63 0.00 -0.55 0.00 0.00 66.41 63.44 1kya h THR 348 Cb 1.19 1.31 -0.16 0.00 -1.73 0.00 0.00 68.15 68.75 1kya h THR 348 CO 0.62 0.43 -0.48 -0.69 -0.25 0.00 0.00 175.52 175.16 1kya s VAL 349 N -4.52 5.30 0.38 6.82 1.01 -1.26 -5.02 120.40 123.11 1kya s VAL 349 Ca -0.08 0.23 -0.27 0.00 0.00 0.00 0.00 61.98 61.87 1kya s VAL 349 Cb 0.13 -3.55 -0.11 0.00 0.00 0.00 0.00 36.38 32.85 1kya s VAL 349 CO 0.81 0.26 1.26 -0.81 0.00 0.00 0.00 175.10 176.62 1kya n PRO 350 N 4.94 1.98 -0.28 2.72 -0.04 -1.26 -4.69 135.00 138.38 1kya n PRO 350 Ca -0.13 0.70 0.18 0.00 -0.04 0.00 0.00 63.50 64.21 1kya n PRO 350 Cb 0.52 -2.33 0.47 0.00 -0.04 0.00 0.00 33.50 32.12 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 2.28 0.67 -0.51 0.52 2.07 -1.20 0.39 116.25 120.47 1kya h VAL 351 Ca -0.47 -0.17 -0.05 0.00 0.82 0.00 0.00 66.70 66.84 1kya h VAL 351 Cb 1.29 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 1kya h VAL 351 CO 0.61 0.09 0.14 0.25 0.02 0.00 0.00 177.57 178.68 1kya h LEU 352 N 0.49 0.76 -0.80 2.57 6.46 -1.31 -2.03 115.31 121.45 1kya h LEU 352 Ca 0.50 -0.22 -0.11 0.00 -0.12 0.00 0.00 57.88 57.93 1kya h LEU 352 Cb 1.14 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.86 1kya h LEU 352 CO -0.23 0.78 -0.32 0.25 -0.62 0.00 0.00 178.44 178.30 1kya h LEU 353 N 0.70 0.55 -0.39 2.25 5.85 -1.32 -1.18 115.31 121.77 1kya h LEU 353 Ca 0.16 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.68 1kya h LEU 353 Cb 0.31 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 1kya h LEU 353 CO -0.00 0.84 0.23 1.56 -0.34 0.00 0.00 178.44 180.73 1kya h GLN 354 N 0.45 0.45 -0.46 1.25 4.20 -0.64 0.10 115.11 120.47 1kya h GLN 354 Ca 0.05 -0.03 -0.14 0.00 0.06 0.00 0.00 58.65 58.60 1kya h GLN 354 Cb 0.78 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.45 1kya h GLN 354 CO 0.06 0.30 -0.26 0.82 -0.67 0.00 0.00 178.83 179.08 1kya h ILE 355 N 0.47 1.27 -0.10 2.54 2.04 -1.17 -0.44 117.51 122.10 1kya h ILE 355 Ca 0.16 -1.43 -0.07 0.00 1.00 0.00 0.00 64.86 64.52 1kya h ILE 355 Cb 0.01 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 1kya h ILE 355 CO -0.07 0.49 -0.25 0.40 0.00 0.00 0.00 178.15 178.72 1kya h ILE 356 N 0.84 1.23 -0.00 -0.67 2.04 -0.93 -2.34 117.51 117.67 1kya h ILE 356 Ca 0.10 -1.06 0.00 0.00 1.00 0.00 0.00 64.86 64.90 1kya h ILE 356 Cb 0.85 1.43 0.00 0.00 -0.74 0.00 0.00 36.82 38.36 1kya h ILE 356 CO 0.08 0.32 -0.00 -1.20 0.00 0.00 0.00 178.15 177.34 1kya n SER 357 N -4.18 0.03 0.00 1.72 7.64 0.32 -4.87 113.62 114.28 1kya n SER 357 Ca -0.01 -0.46 0.00 0.00 1.01 0.00 0.00 58.87 59.41 1kya n SER 357 Cb 0.35 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 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 1.19 1.13 3.66 0.23 0.00 -0.88 -5.06 105.19 105.45 1kya n GLY 358 Ca 0.18 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.64 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 0.06 4.61 0.00 -0.20 -4.87 120.51 119.52 1kya n ALA 359 Ca 0.00 0.44 0.09 0.00 0.00 0.00 0.00 53.44 53.98 1kya n ALA 359 Cb 0.00 -2.15 -0.14 0.00 0.00 0.00 0.00 19.45 17.15 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 4.16 0.60 -3.12 0.00 7.27 -1.26 -4.67 117.38 120.37 1kya n GLN 360 Ca 0.23 -0.16 -0.06 0.00 0.07 0.00 0.00 57.00 57.08 1kya n GLN 360 Cb 0.15 -1.44 0.02 0.00 2.41 0.00 0.00 30.24 31.38 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 -2.11 -1.63 -0.32 1.69 6.94 -1.26 -4.91 115.26 113.65 1kya n ASN 361 Ca -0.03 -2.08 -0.03 0.00 -0.02 0.00 0.00 54.58 52.42 1kya n ASN 361 Cb 0.48 2.71 0.09 0.00 -2.36 0.00 0.00 39.78 40.70 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 1.11 -0.96 -2.53 0.00 -1.93 -2.39 119.26 114.56 1kya h ALA 362 Ca -0.24 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 54.70 1kya h ALA 362 Cb 0.92 -0.36 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 1kya h ALA 362 CO 0.31 0.52 0.62 -0.56 0.00 0.00 0.00 179.25 180.13 1kya h GLN 363 N 1.19 0.98 0.03 0.00 -0.00 -1.96 -2.98 115.11 112.38 1kya h GLN 363 Ca 0.32 -0.06 -0.00 0.00 -0.00 0.00 0.00 58.65 58.91 1kya h GLN 363 Cb -0.14 -0.22 0.00 0.00 -0.00 0.00 0.00 27.48 27.12 1kya h GLN 363 CO -0.07 0.65 -0.02 -0.44 -0.00 0.00 0.00 178.83 178.95 1kya h ASP 364 N 1.01 -0.04 -2.20 0.06 3.32 -1.87 -3.46 116.42 113.23 1kya h ASP 364 Ca 0.45 -0.64 -0.63 0.00 0.02 0.00 0.00 57.03 56.23 1kya h ASP 364 Cb 0.36 0.01 0.09 0.00 0.22 0.00 0.00 39.33 40.01 1kya h ASP 364 CO -0.20 0.66 0.31 0.18 -1.72 0.00 0.00 179.24 178.46 1kya n LEU 365 N -4.77 1.90 -4.66 1.55 4.77 -0.94 -4.96 117.00 109.90 1kya n LEU 365 Ca -0.09 1.15 -0.29 0.00 -0.03 0.00 0.00 56.01 56.75 1kya n LEU 365 Cb 0.33 -1.27 -0.08 0.00 -2.33 0.00 0.00 43.42 40.06 1kya n LEU 365 CO 0.31 -1.16 -0.35 -0.76 -1.33 0.00 0.00 177.39 174.10 1kya s LEU 366 N 0.50 3.33 0.44 2.23 1.43 -1.26 -4.04 118.68 121.32 1kya s LEU 366 Ca 0.69 -0.28 -0.22 0.00 -1.03 0.00 0.00 54.13 53.29 1kya s LEU 366 Cb -0.78 -2.06 -0.09 0.00 0.03 0.00 0.00 46.19 43.30 1kya s LEU 366 CO 0.53 0.16 1.05 -2.16 0.23 0.00 0.00 176.35 176.16 1kya s PRO 367 N -2.44 3.97 0.32 1.29 0.04 -1.26 -4.73 135.00 132.20 1kya s PRO 367 Ca 0.25 1.44 -0.29 0.00 0.04 0.00 0.00 61.00 62.45 1kya s PRO 367 Cb -0.11 -2.31 -0.10 0.00 0.04 0.00 0.00 34.50 32.02 1kya s PRO 367 CO 0.17 -0.30 1.31 0.45 0.04 0.00 0.00 177.00 178.67 1kya s SER 368 N -1.77 6.78 0.00 6.66 0.15 -1.26 -2.87 113.70 121.40 1kya s SER 368 Ca 0.63 2.68 0.00 0.00 0.70 0.00 0.00 55.95 59.95 1kya s SER 368 Cb -0.19 -2.65 0.00 0.00 -1.71 0.00 0.00 66.02 61.47 1kya s SER 368 CO 0.24 -0.53 0.00 0.61 1.20 0.00 0.00 173.24 174.75 1kya n GLY 369 N 0.90 1.90 0.38 9.45 0.00 -1.26 -4.84 105.19 111.73 1kya n GLY 369 Ca 0.00 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 1.96 -4.36 1.61 7.64 -1.14 -4.73 113.62 114.60 1kya n SER 370 Ca 0.00 -1.51 -0.32 0.00 1.01 0.00 0.00 58.87 58.05 1kya n SER 370 Cb 0.00 -0.04 -0.15 0.00 -1.01 0.00 0.00 64.21 63.01 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 -0.79 2.65 -0.03 0.44 1.01 -1.25 -0.01 120.40 122.42 1kya s VAL 371 Ca 0.12 -0.84 0.06 0.00 0.00 0.00 0.00 61.98 61.32 1kya s VAL 371 Cb 0.08 -2.04 -0.01 0.00 0.00 0.00 0.00 36.38 34.41 1kya s VAL 371 CO 0.11 0.56 -0.21 -0.31 0.00 0.00 0.00 175.10 175.25 1kya s TYR 372 N -0.17 1.99 0.11 5.22 1.51 -0.35 -4.87 117.35 120.79 1kya s TYR 372 Ca -0.02 -0.45 -0.24 0.00 -1.01 0.00 0.00 57.07 55.35 1kya s TYR 372 Cb -0.14 -1.29 -0.07 0.00 -0.11 0.00 0.00 41.96 40.35 1kya s TYR 372 CO 0.03 -0.09 0.72 -1.12 -1.11 0.00 0.00 175.55 173.99 1kya s SER 373 N -0.36 7.26 -0.11 2.29 0.01 -1.26 -0.02 113.70 121.51 1kya s SER 373 Ca 0.04 1.50 0.00 0.00 1.31 0.00 0.00 55.95 58.80 1kya s SER 373 Cb -0.10 -2.46 0.02 0.00 0.21 0.00 0.00 66.02 63.70 1kya s SER 373 CO 0.00 0.17 -0.10 -0.76 0.41 0.00 0.00 173.24 172.96 1kya s LEU 374 N -0.82 1.38 0.41 2.44 1.02 -0.59 -4.91 118.68 117.61 1kya s LEU 374 Ca 0.35 -0.34 -0.24 0.00 0.02 0.00 0.00 54.13 53.91 1kya s LEU 374 Cb -0.22 -0.91 -0.08 0.00 0.02 0.00 0.00 46.19 45.00 1kya s LEU 374 CO 0.24 -0.08 1.15 -2.16 0.02 0.00 0.00 176.35 175.52 1kya s PRO 375 N 1.46 4.01 0.84 1.29 0.04 -1.26 0.04 135.00 141.41 1kya s PRO 375 Ca 0.01 1.77 -0.11 0.00 0.04 0.00 0.00 61.00 62.71 1kya s PRO 375 Cb -0.13 -2.60 0.10 0.00 0.04 0.00 0.00 34.50 31.91 1kya s PRO 375 CO -0.06 -0.34 1.09 -1.54 0.04 0.00 0.00 177.00 176.19 1kya s SER 376 N -1.25 3.96 -1.25 6.66 1.04 -1.26 -4.02 113.70 117.57 1kya s SER 376 Ca 0.59 1.61 -0.29 0.00 0.48 0.00 0.00 55.95 58.34 1kya s SER 376 Cb -0.29 -2.30 0.03 0.00 0.10 0.00 0.00 66.02 63.57 1kya s SER 376 CO 0.36 -2.35 0.60 -3.20 0.98 0.00 0.00 173.24 169.64 1kya n ASN 377 N -3.70 -3.53 -4.03 7.02 5.15 -0.11 -4.95 115.26 111.11 1kya n ASN 377 Ca 0.08 -1.27 -0.08 0.00 -0.60 0.00 0.00 54.58 52.72 1kya n ASN 377 Cb 0.54 -1.87 -0.09 0.00 -0.53 0.00 0.00 39.78 37.83 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 -3.64 0.32 -0.13 5.20 0.00 -1.26 -4.94 121.76 117.32 1kya s ALA 378 Ca 0.42 -1.04 -0.13 0.00 0.00 0.00 0.00 51.96 51.21 1kya s ALA 378 Cb -0.22 0.31 -0.05 0.00 0.00 0.00 0.00 23.12 23.16 1kya s ALA 378 CO 0.96 -0.39 0.30 -0.51 0.00 0.00 0.00 175.76 176.13 1kya s ASP 379 N -2.81 6.50 -0.02 0.00 1.01 -1.26 -1.25 116.67 118.83 1kya s ASP 379 Ca 0.05 0.59 0.07 0.00 0.71 0.00 0.00 52.55 53.98 1kya s ASP 379 Cb 0.06 -2.18 -0.02 0.00 1.01 0.00 0.00 42.92 41.79 1kya s ASP 379 CO -0.10 0.17 -0.25 -0.63 0.21 0.00 0.00 175.17 174.58 1kya s ILE 380 N 0.03 1.96 -0.08 0.77 1.01 0.79 -2.15 121.20 123.52 1kya s ILE 380 Ca 0.18 -1.06 0.01 0.00 0.00 0.00 0.00 60.65 59.79 1kya s ILE 380 Cb -0.14 -1.63 0.02 0.00 0.01 0.00 0.00 42.46 40.73 1kya s ILE 380 CO 0.06 0.55 -0.11 -0.70 0.00 0.00 0.00 174.94 174.74 1kya s GLU 381 N -0.55 1.69 0.00 2.79 2.12 -0.80 -1.20 118.70 122.76 1kya s GLU 381 Ca 0.09 -0.38 0.07 0.00 0.36 0.00 0.00 54.97 55.11 1kya s GLU 381 Cb -0.10 -1.51 -0.02 0.00 0.26 0.00 0.00 34.13 32.77 1kya s GLU 381 CO -0.01 -0.07 -0.21 0.42 -0.54 0.00 0.00 175.26 174.85 1kya s ILE 382 N 1.01 1.69 -0.04 -3.70 1.01 0.40 -0.85 121.20 120.72 1kya s ILE 382 Ca -0.08 -1.01 0.05 0.00 0.00 0.00 0.00 60.65 59.62 1kya s ILE 382 Cb -0.15 -1.43 -0.01 0.00 0.01 0.00 0.00 42.46 40.89 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 -0.71 2.50 -0.73 3.58 1.04 -0.68 -0.49 113.70 118.22 1kya s SER 383 Ca 0.08 -0.41 0.04 0.00 0.48 0.00 0.00 55.95 56.14 1kya s SER 383 Cb -0.08 -0.64 0.24 0.00 0.10 0.00 0.00 66.02 65.63 1kya s SER 383 CO -0.00 0.20 0.79 0.49 0.98 0.00 0.00 173.24 175.69 1kya n PHE 384 N 3.01 3.49 -1.60 5.02 3.72 -0.03 -0.54 117.46 130.53 1kya n PHE 384 Ca -0.17 -4.02 -0.47 0.00 -0.05 0.00 0.00 57.45 52.73 1kya n PHE 384 Cb 0.53 -0.70 -0.05 0.00 -0.94 0.00 0.00 39.48 38.31 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 1.24 1.86 -1.67 -1.08 -0.02 -1.26 -3.99 135.00 130.08 1kya n PRO 385 Ca 0.27 0.61 -0.42 0.00 -2.02 0.00 0.00 63.50 61.94 1kya n PRO 385 Cb 0.39 -2.76 -0.03 0.00 -0.02 0.00 0.00 33.50 31.08 1kya n PRO 385 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1kya n ALA 386 N 8.76 1.77 -3.85 3.55 0.00 -1.09 -4.67 120.51 124.99 1kya n ALA 386 Ca 0.29 0.24 -0.27 0.00 0.00 0.00 0.00 53.44 53.70 1kya n ALA 386 Cb 0.32 -2.67 -0.17 0.00 0.00 0.00 0.00 19.45 16.94 1kya n ALA 386 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1kya s THR 387 N 4.02 0.91 -0.02 0.00 2.01 -1.26 -4.45 115.64 116.85 1kya s THR 387 Ca 0.87 -0.52 0.06 0.00 0.31 0.00 0.00 61.69 62.41 1kya s THR 387 Cb -0.44 -1.14 0.06 0.00 0.01 0.00 0.00 72.50 70.98 1kya s THR 387 CO 0.41 0.09 0.99 0.00 -0.69 0.00 0.00 174.62 175.41 1kya n ALA 388 N 4.94 0.40 0.28 7.40 0.00 -1.26 0.54 120.51 132.81 1kya n ALA 388 Ca -0.11 0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.50 1kya n ALA 388 Cb 0.48 -0.48 0.51 0.00 0.00 0.00 0.00 19.45 19.97 1kya n ALA 388 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kya n ALA 389 N -1.38 1.35 -3.91 0.00 0.00 -1.26 -3.93 120.51 111.38 1kya n ALA 389 Ca -0.00 0.13 -0.32 0.00 0.00 0.00 0.00 53.44 53.25 1kya n ALA 389 Cb 0.42 -1.34 -0.13 0.00 0.00 0.00 0.00 19.45 18.40 1kya n ALA 389 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kya s ALA 390 N -3.41 3.27 0.65 0.00 0.00 0.19 -1.84 121.76 120.63 1kya s ALA 390 Ca 0.01 -3.09 -0.17 0.00 0.00 0.00 0.00 51.96 48.72 1kya s ALA 390 Cb 0.08 -2.23 -0.00 0.00 0.00 0.00 0.00 23.12 20.96 1kya s ALA 390 CO 0.28 -1.96 1.18 -2.14 0.00 0.00 0.00 175.76 173.13 1kya s PRO 391 N 0.07 2.68 0.00 0.00 0.02 -1.25 -4.17 135.00 132.34 1kya s PRO 391 Ca 0.15 1.69 0.00 0.00 0.02 0.00 0.00 61.00 62.86 1kya s PRO 391 Cb -0.23 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.38 1kya s PRO 391 CO -0.02 -1.40 0.00 0.41 -0.33 0.00 0.00 177.00 175.65 1kya n GLY 392 N 0.21 0.93 3.71 0.52 0.00 -1.26 -5.07 105.19 104.24 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 0.03 4.61 0.00 -1.26 -4.29 121.76 120.94 1kya s ALA 393 Ca 0.00 1.02 -0.28 0.00 0.00 0.00 0.00 51.96 52.70 1kya s ALA 393 Cb 0.00 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.56 1kya s ALA 393 CO 0.00 -1.96 0.90 -1.25 0.00 0.00 0.00 175.76 173.44 1kya s PRO 394 N -3.78 4.57 -0.34 0.00 0.04 -1.26 -5.05 135.00 129.18 1kya s PRO 394 Ca 0.78 1.28 -0.24 0.00 0.04 0.00 0.00 61.00 62.86 1kya s PRO 394 Cb -0.33 -3.42 0.01 0.00 0.04 0.00 0.00 34.50 30.80 1kya s PRO 394 CO 0.45 0.09 0.82 -1.01 0.04 0.00 0.00 177.00 177.39 1kya s HIS 395 N 0.53 3.14 -0.43 0.56 3.76 -1.26 -4.85 115.29 116.74 1kya s HIS 395 Ca 0.46 0.70 -0.27 0.00 -0.15 0.00 0.00 55.06 55.80 1kya s HIS 395 Cb -0.21 -3.39 0.02 0.00 1.11 0.00 0.00 32.58 30.12 1kya s HIS 395 CO 0.26 -0.69 1.01 -2.14 -0.85 0.00 0.00 174.74 172.33 1kya s PRO 396 N 3.13 3.73 0.03 8.40 0.02 -1.26 -1.46 135.00 147.59 1kya s PRO 396 Ca 0.33 0.50 -0.10 0.00 0.02 0.00 0.00 61.00 61.75 1kya s PRO 396 Cb -0.13 -3.87 -0.05 0.00 0.02 0.00 0.00 34.50 30.46 1kya s PRO 396 CO 0.16 -1.17 0.36 -0.06 -0.33 0.00 0.00 177.00 175.96 1kya s PHE 397 N 3.91 3.62 -0.02 6.54 0.40 0.03 0.40 117.98 132.85 1kya s PHE 397 Ca 0.42 0.78 0.05 0.00 -0.60 0.00 0.00 56.93 57.58 1kya s PHE 397 Cb -0.10 -2.15 -0.01 0.00 0.51 0.00 0.00 43.02 41.28 1kya s PHE 397 CO 0.25 0.58 -0.16 -1.58 0.70 0.00 0.00 175.22 175.01 1kya s HIS 398 N -1.28 1.47 -0.12 0.36 5.65 0.63 -1.31 115.29 120.70 1kya s HIS 398 Ca 0.29 -0.31 0.01 0.00 0.25 0.00 0.00 55.06 55.30 1kya s HIS 398 Cb -0.14 -0.96 -0.01 0.00 -1.18 0.00 0.00 32.58 30.28 1kya s HIS 398 CO 0.16 -0.05 -0.16 -1.17 -0.65 0.00 0.00 174.74 172.86 1kya s LEU 399 N -0.28 2.56 0.39 8.88 0.20 -1.10 -1.73 118.68 127.61 1kya s LEU 399 Ca 0.04 -0.37 -0.09 0.00 0.69 0.00 0.00 54.13 54.39 1kya s LEU 399 Cb -0.07 -1.56 -0.06 0.00 -0.43 0.00 0.00 46.19 44.07 1kya s LEU 399 CO -0.00 0.18 0.74 -1.00 -0.29 0.00 0.00 176.35 175.98 1kya s HIS 400 N 0.26 3.48 0.00 5.38 3.76 -0.41 -4.29 115.29 123.47 1kya s HIS 400 Ca -0.11 0.97 0.00 0.00 -0.15 0.00 0.00 55.06 55.77 1kya s HIS 400 Cb -0.16 -2.38 0.00 0.00 1.11 0.00 0.00 32.58 31.15 1kya s HIS 400 CO 0.06 -0.08 0.00 0.41 -0.85 0.00 0.00 174.74 174.28 1kya n GLY 401 N -1.31 1.36 3.30 -2.22 0.00 -1.26 -4.74 105.19 100.32 1kya n GLY 401 Ca 0.02 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 -2.34 0.22 -0.07 1.61 4.02 -1.26 -4.71 115.29 112.76 1kya s HIS 402 Ca 0.00 -0.60 -0.00 0.00 1.02 0.00 0.00 55.06 55.47 1kya s HIS 402 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 32.58 31.53 1kya s HIS 402 CO 0.00 -0.67 -0.03 0.00 1.02 0.00 0.00 174.74 175.06 1kya s ALA 403 N -3.91 3.17 0.30 -1.40 0.00 -1.26 -4.75 121.76 113.90 1kya s ALA 403 Ca 0.11 -0.86 0.11 0.00 0.00 0.00 0.00 51.96 51.32 1kya s ALA 403 Cb 0.03 -1.36 -0.05 0.00 0.00 0.00 0.00 23.12 21.74 1kya s ALA 403 CO -0.05 0.59 -0.12 -0.59 0.00 0.00 0.00 175.76 175.59 1kya s PHE 404 N -0.89 2.42 -0.15 0.00 -0.12 0.66 -4.84 117.98 115.07 1kya s PHE 404 Ca 0.14 -0.35 -0.15 0.00 -0.05 0.00 0.00 56.93 56.51 1kya s PHE 404 Cb -0.11 -1.16 -0.04 0.00 -0.63 0.00 0.00 43.02 41.07 1kya s PHE 404 CO 0.03 0.65 0.36 0.00 -0.05 0.00 0.00 175.22 176.20 1kya s ALA 405 N -2.49 3.55 -0.93 1.99 0.00 0.62 -0.72 121.76 123.78 1kya s ALA 405 Ca 0.31 -0.36 -0.16 0.00 0.00 0.00 0.00 51.96 51.75 1kya s ALA 405 Cb -0.03 -2.48 0.17 0.00 0.00 0.00 0.00 23.12 20.77 1kya s ALA 405 CO 0.17 0.06 1.04 0.08 0.00 0.00 0.00 175.76 177.10 1kya s VAL 406 N 0.52 5.08 0.38 0.00 1.01 -0.90 -1.02 120.40 125.47 1kya s VAL 406 Ca 0.20 -2.02 0.14 0.00 0.00 0.00 0.00 61.98 60.30 1kya s VAL 406 Cb -0.14 -4.68 0.13 0.00 0.00 0.00 0.00 36.38 31.68 1kya s VAL 406 CO 0.06 -1.35 1.87 -0.37 0.00 0.00 0.00 175.10 175.31 1kya h VAL 407 N 5.32 1.18 -3.26 2.92 -1.51 -1.56 -3.41 116.25 115.92 1kya h VAL 407 Ca 0.16 -1.10 -0.40 0.00 -1.23 0.00 0.00 66.70 64.13 1kya h VAL 407 Cb 1.01 1.60 -0.39 0.00 -2.13 0.00 0.00 31.29 31.38 1kya h VAL 407 CO 1.00 0.31 -0.75 -0.60 -1.23 0.00 0.00 177.57 176.30 1kya s ARG 408 N -4.26 0.11 0.41 5.19 3.52 -1.03 0.19 118.95 123.08 1kya s ARG 408 Ca -0.03 0.24 -0.01 0.00 -0.13 0.00 0.00 55.73 55.80 1kya s ARG 408 Cb 0.14 -0.83 -0.02 0.00 -1.56 0.00 0.00 34.95 32.68 1kya s ARG 408 CO 0.71 -0.38 0.64 -1.12 -0.81 0.00 0.00 175.30 174.34 1kya s SER 409 N 2.11 6.13 0.43 -2.12 0.01 -1.26 -2.12 113.70 116.89 1kya s SER 409 Ca 0.04 0.49 -0.26 0.00 1.31 0.00 0.00 55.95 57.53 1kya s SER 409 Cb -0.13 -1.90 -0.08 0.00 0.21 0.00 0.00 66.02 64.11 1kya s SER 409 CO -0.04 -0.49 1.39 0.00 0.41 0.00 0.00 173.24 174.51 1kya s ALA 410 N -2.48 3.26 -0.82 1.44 0.00 -1.26 -2.52 121.76 119.38 1kya s ALA 410 Ca 0.44 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.79 1kya s ALA 410 Cb -0.10 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.46 1kya s ALA 410 CO 0.38 -1.07 0.00 0.41 0.00 0.00 0.00 175.76 175.49 1kya n GLY 411 N 0.60 0.84 3.12 0.00 0.00 -1.26 -4.97 105.19 103.52 1kya n GLY 411 Ca 0.04 -0.66 -0.12 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.87 -0.10 -0.01 1.61 0.15 -1.05 -5.03 113.70 106.40 1kya s SER 412 Ca 0.00 0.08 0.13 0.00 0.70 0.00 0.00 55.95 56.86 1kya s SER 412 Cb 0.00 0.31 0.38 0.00 -1.71 0.00 0.00 66.02 65.00 1kya s SER 412 CO 0.00 -0.27 1.32 0.35 1.20 0.00 0.00 173.24 175.84 1kya n THR 413 N 2.01 1.04 -3.26 6.45 -2.24 -1.26 -4.67 114.28 112.34 1kya n THR 413 Ca -0.19 -1.02 -0.35 0.00 -2.27 0.00 0.00 64.05 60.22 1kya n THR 413 Cb 0.57 0.48 -0.06 0.00 -2.10 0.00 0.00 70.33 69.22 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 -1.05 4.76 -0.33 2.28 1.01 -1.26 -5.06 120.40 120.75 1kya s VAL 414 Ca 0.29 0.96 -0.00 0.00 0.00 0.00 0.00 61.98 63.23 1kya s VAL 414 Cb 0.15 -3.76 0.08 0.00 0.00 0.00 0.00 36.38 32.85 1kya s VAL 414 CO 0.19 0.18 0.05 -0.31 0.00 0.00 0.00 175.10 175.21 1kya s TYR 415 N -1.54 3.46 -0.46 5.22 1.51 -1.26 -4.31 117.35 119.98 1kya s TYR 415 Ca 0.41 -2.34 -0.17 0.00 -1.01 0.00 0.00 57.07 53.96 1kya s TYR 415 Cb -0.15 -2.55 0.04 0.00 -0.11 0.00 0.00 41.96 39.19 1kya s TYR 415 CO 0.20 -0.89 0.48 1.21 -1.11 0.00 0.00 175.55 175.43 1kya s ASN 416 N 1.30 6.19 0.00 2.29 3.84 0.13 -4.90 114.94 123.79 1kya s ASN 416 Ca 0.01 -0.87 0.24 0.00 0.21 0.00 0.00 52.86 52.45 1kya s ASN 416 Cb -0.20 -2.23 0.26 0.00 -0.55 0.00 0.00 41.25 38.52 1kya s ASN 416 CO -0.04 -0.68 1.30 -1.22 -2.79 0.00 0.00 177.10 173.67 1kya n TYR 417 N 5.68 0.13 -0.03 0.43 4.01 -1.26 -4.25 117.16 121.87 1kya n TYR 417 Ca -0.08 -0.06 -0.03 0.00 -0.16 0.00 0.00 57.90 57.56 1kya n TYR 417 Cb 0.46 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.46 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 1.37 3.67 -0.00 7.72 2.03 -1.26 -4.37 116.55 125.71 1kya n ASP 418 Ca 0.15 -0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.44 1kya n ASP 418 Cb 0.60 0.05 0.00 0.00 -0.72 0.00 0.00 41.12 41.05 1kya n ASP 418 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1kya n ASN 419 N -2.55 1.65 -4.76 1.67 5.03 -1.26 -4.79 115.26 110.25 1kya n ASN 419 Ca -0.09 -1.83 -0.38 0.00 0.87 0.00 0.00 54.58 53.15 1kya n ASN 419 Cb 0.61 -0.00 0.02 0.00 -1.02 0.00 0.00 39.78 39.38 1kya n ASN 419 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1kya s PRO 420 N -0.83 3.54 0.81 3.52 0.04 -1.26 -4.43 135.00 136.38 1kya s PRO 420 Ca 0.00 2.13 -0.11 0.00 0.04 0.00 0.00 61.00 63.05 1kya s PRO 420 Cb 0.00 -2.45 0.08 0.00 0.04 0.00 0.00 34.50 32.17 1kya s PRO 420 CO 0.00 -0.84 1.09 0.96 0.04 0.00 0.00 177.00 178.25 1kya s ILE 421 N -1.34 3.10 0.05 0.56 -5.25 -1.21 -4.54 121.20 112.56 1kya s ILE 421 Ca 0.65 0.36 0.06 0.00 -0.99 0.00 0.00 60.65 60.73 1kya s ILE 421 Cb -0.37 -2.97 -0.03 0.00 2.95 0.00 0.00 42.46 42.03 1kya s ILE 421 CO 0.46 -0.47 -0.12 -0.36 -1.79 0.00 0.00 174.94 172.66 1kya s PHE 422 N -3.03 2.71 0.22 1.37 0.08 -1.26 -2.12 117.98 115.96 1kya s PHE 422 Ca 0.61 -0.16 -0.22 0.00 0.12 0.00 0.00 56.93 57.29 1kya s PHE 422 Cb -0.16 -1.50 0.07 0.00 -0.57 0.00 0.00 43.02 40.86 1kya s PHE 422 CO 0.56 0.34 0.96 -0.98 -0.10 0.00 0.00 175.22 175.99 1kya s ARG 423 N -1.66 1.48 0.00 0.44 1.70 0.11 -4.66 118.95 116.35 1kya s ARG 423 Ca 0.17 -0.92 0.06 0.00 -0.47 0.00 0.00 55.73 54.57 1kya s ARG 423 Cb -0.11 0.44 -0.04 0.00 -0.57 0.00 0.00 34.95 34.67 1kya s ARG 423 CO 0.08 -0.69 0.32 -0.40 -1.08 0.00 0.00 175.30 173.54 1kya n ASP 424 N -1.03 0.50 -3.95 -2.89 5.68 -1.26 -0.25 116.55 113.36 1kya n ASP 424 Ca -0.05 -0.75 -0.24 0.00 -0.50 0.00 0.00 54.79 53.25 1kya n ASP 424 Cb 0.60 0.81 -0.17 0.00 -1.14 0.00 0.00 41.12 41.22 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 -1.32 0.91 -0.02 2.12 1.01 -1.26 -2.72 120.40 119.12 1kya s VAL 425 Ca 0.03 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 61.71 1kya s VAL 425 Cb 0.04 -0.89 0.01 0.00 0.00 0.00 0.00 36.38 35.55 1kya s VAL 425 CO 0.20 0.32 -0.02 0.54 0.00 0.00 0.00 175.10 176.13 1kya s VAL 426 N 1.05 0.27 0.04 2.92 0.11 -0.43 -4.95 120.40 119.42 1kya s VAL 426 Ca -0.08 -0.04 -0.31 0.00 -2.93 0.00 0.00 61.98 58.62 1kya s VAL 426 Cb -0.14 -0.30 -0.06 0.00 -1.53 0.00 0.00 36.38 34.35 1kya s VAL 426 CO -0.01 0.13 1.35 -0.55 -3.33 0.00 0.00 175.10 172.69 1kya s SER 427 N 0.54 6.90 -0.17 3.54 0.15 -1.26 -0.79 113.70 122.60 1kya s SER 427 Ca -0.06 2.14 0.05 0.00 0.70 0.00 0.00 55.95 58.78 1kya s SER 427 Cb -0.09 -2.57 0.39 0.00 -1.71 0.00 0.00 66.02 62.04 1kya s SER 427 CO -0.01 -0.64 1.29 0.35 1.20 0.00 0.00 173.24 175.43 1kya n THR 428 N 4.31 1.75 -3.80 6.45 -2.24 -0.54 -4.18 114.28 116.03 1kya n THR 428 Ca 0.12 -0.84 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 1kya n THR 428 Cb 0.44 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 68.13 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 0.02 0.93 3.19 3.38 0.00 -1.26 -4.36 105.19 107.09 1kya n GLY 429 Ca 0.22 -0.70 -0.08 0.00 0.00 0.00 0.00 46.02 45.45 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 0.15 -0.08 2.61 -4.23 -1.26 -4.13 115.64 108.70 1kya s THR 430 Ca 0.00 -1.31 0.26 0.00 -1.18 0.00 0.00 61.69 59.46 1kya s THR 430 Cb 0.00 -1.39 0.26 0.00 1.34 0.00 0.00 72.50 72.71 1kya s THR 430 CO 0.00 -0.70 1.78 -0.65 -0.54 0.00 0.00 174.62 174.51 1kya h PRO 431 N 2.82 0.00 0.00 3.99 0.11 -1.93 -3.07 132.00 133.92 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 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1kya h PRO 431 CO 0.58 0.00 -0.48 0.00 -0.21 0.00 0.00 178.00 177.89 1kya n ALA 432 N -1.83 3.30 1.06 -0.75 0.00 -1.26 -3.12 120.51 117.91 1kya n ALA 432 Ca -0.01 -0.31 0.11 0.00 0.00 0.00 0.00 53.44 53.24 1kya n ALA 432 Cb 0.06 -1.16 0.09 0.00 0.00 0.00 0.00 19.45 18.43 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 -1.57 3.52 -2.58 0.00 0.00 -1.16 -4.95 120.51 113.77 1kya n ALA 433 Ca 0.05 -0.58 -0.20 0.00 0.00 0.00 0.00 53.44 52.71 1kya n ALA 433 Cb 0.36 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.93 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 1.41 -0.51 3.61 0.00 0.00 -1.18 -4.90 105.19 103.62 1kya n GLY 434 Ca 0.10 0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.12 0.39 -2.69 1.61 8.00 -1.19 -4.93 116.55 115.61 1kya n ASP 435 Ca -0.20 0.63 -0.06 0.00 0.71 0.00 0.00 54.79 55.87 1kya n ASP 435 Cb 0.66 -1.41 0.11 0.00 -0.02 0.00 0.00 41.12 40.45 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 -1.96 -1.23 -4.43 -2.24 5.15 -1.26 -2.66 115.26 106.63 1kya n ASN 436 Ca 0.13 -2.43 -0.58 0.00 -0.60 0.00 0.00 54.58 51.10 1kya n ASN 436 Cb 0.50 0.68 -0.08 0.00 -0.53 0.00 0.00 39.78 40.36 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 -0.70 0.09 -4.31 3.44 0.31 -1.26 -4.55 118.33 111.35 1kya n VAL 437 Ca -0.04 -0.02 -0.19 0.00 -0.01 0.00 0.00 64.34 64.08 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 -0.05 0.66 0.22 2.52 2.01 -0.90 -0.85 115.64 119.26 1kya s THR 438 Ca 0.88 -0.31 0.05 0.00 0.31 0.00 0.00 61.69 62.62 1kya s THR 438 Cb -1.24 -0.58 -0.05 0.00 0.01 0.00 0.00 72.50 70.64 1kya s THR 438 CO 0.56 0.20 -0.05 0.27 -0.69 0.00 0.00 174.62 174.91 1kya s ILE 439 N 0.10 1.30 0.02 1.82 -4.36 0.35 -1.74 121.20 118.69 1kya s ILE 439 Ca -0.01 -2.08 -0.03 0.00 -0.26 0.00 0.00 60.65 58.27 1kya s ILE 439 Cb -0.06 -2.23 -0.01 0.00 1.25 0.00 0.00 42.46 41.40 1kya s ILE 439 CO 0.00 -0.44 0.03 -0.13 0.24 0.00 0.00 174.94 174.64 1kya s ARG 440 N -3.78 0.39 0.09 0.37 0.52 -0.19 -0.46 118.95 115.89 1kya s ARG 440 Ca 0.26 -0.57 -0.26 0.00 -0.52 0.00 0.00 55.73 54.64 1kya s ARG 440 Cb 0.04 0.15 0.07 0.00 0.52 0.00 0.00 34.95 35.72 1kya s ARG 440 CO 0.08 -0.08 0.62 -0.59 0.02 0.00 0.00 175.30 175.35 1kya s PHE 441 N -1.56 -0.58 -0.15 -0.53 -0.71 -0.34 -0.28 117.98 113.84 1kya s PHE 441 Ca -0.15 0.59 -0.08 0.00 -1.04 0.00 0.00 56.93 56.26 1kya s PHE 441 Cb -0.08 0.51 -0.04 0.00 -1.21 0.00 0.00 43.02 42.19 1kya s PHE 441 CO -0.01 -0.77 0.11 -0.98 -1.34 0.00 0.00 175.22 172.24 1kya s ARG 442 N -2.92 3.75 -0.97 1.99 3.03 -1.26 -0.15 118.95 122.42 1kya s ARG 442 Ca -0.03 -0.22 -0.24 0.00 2.03 0.00 0.00 55.73 57.28 1kya s ARG 442 Cb -0.01 -3.24 0.01 0.00 -1.03 0.00 0.00 34.95 30.68 1kya s ARG 442 CO -0.06 0.53 1.63 0.95 -1.13 0.00 0.00 175.30 177.23 1kya s THR 443 N -0.32 3.74 -0.17 4.99 -4.23 -0.38 -4.68 115.64 114.59 1kya s THR 443 Ca 0.11 -0.59 0.10 0.00 -1.18 0.00 0.00 61.69 60.12 1kya s THR 443 Cb -0.12 -4.66 0.19 0.00 1.34 0.00 0.00 72.50 69.26 1kya s THR 443 CO 0.01 -1.56 1.13 -0.90 -0.54 0.00 0.00 174.62 172.75 1kya n ASP 444 N 10.81 2.42 -3.50 3.99 5.75 -1.26 -0.93 116.55 133.83 1kya n ASP 444 Ca 0.35 -2.49 -0.28 0.00 -0.01 0.00 0.00 54.79 52.36 1kya n ASP 444 Cb 0.49 -0.23 -0.14 0.00 -1.03 0.00 0.00 41.12 40.21 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 -1.76 3.23 0.29 -1.12 3.84 -1.26 -5.06 114.94 113.10 1kya s ASN 445 Ca 0.18 -1.59 -0.30 0.00 0.21 0.00 0.00 52.86 51.36 1kya s ASN 445 Cb 0.15 -0.32 -0.11 0.00 -0.55 0.00 0.00 41.25 40.41 1kya s ASN 445 CO 0.04 -0.39 1.58 -2.84 -2.79 0.00 0.00 177.10 172.69 1kya s PRO 446 N 1.73 4.13 0.00 0.43 0.02 -1.26 -4.86 135.00 135.20 1kya s PRO 446 Ca 0.12 2.56 0.00 0.00 0.02 0.00 0.00 61.00 63.70 1kya s PRO 446 Cb -0.18 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.31 1kya s PRO 446 CO -0.23 -0.61 0.00 0.41 -0.33 0.00 0.00 177.00 176.24 1kya n GLY 447 N 2.06 3.10 3.69 0.52 0.00 0.19 -4.79 105.19 109.96 1kya n GLY 447 Ca 0.08 -1.80 -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 -1.99 4.38 -0.03 1.61 0.04 -1.26 -1.36 135.00 136.39 1kya s PRO 448 Ca 0.00 1.07 0.05 0.00 0.04 0.00 0.00 61.00 62.16 1kya s PRO 448 Cb 0.00 -3.52 -0.01 0.00 0.04 0.00 0.00 34.50 31.01 1kya s PRO 448 CO 0.00 -0.19 -0.19 -1.58 0.04 0.00 0.00 177.00 175.09 1kya s TRP 449 N 1.64 1.75 0.48 0.56 0.52 0.33 -4.88 118.94 119.33 1kya s TRP 449 Ca 0.41 -0.43 -0.19 0.00 0.02 0.00 0.00 56.10 55.91 1kya s TRP 449 Cb -0.18 -1.15 -0.09 0.00 -1.15 0.00 0.00 33.47 30.90 1kya s TRP 449 CO 0.16 -0.11 0.98 0.12 0.02 0.00 0.00 176.95 178.13 1kya s PHE 450 N -0.20 3.29 -0.13 -1.98 2.19 -1.26 -0.23 117.98 119.67 1kya s PHE 450 Ca 0.01 1.55 -0.04 0.00 0.33 0.00 0.00 56.93 58.79 1kya s PHE 450 Cb -0.10 -2.87 0.06 0.00 -1.31 0.00 0.00 43.02 38.81 1kya s PHE 450 CO 0.01 -0.35 0.18 -1.17 1.83 0.00 0.00 175.22 175.71 1kya s LEU 451 N -3.59 -0.06 0.24 6.12 2.96 -0.41 -1.28 118.68 122.65 1kya s LEU 451 Ca 0.62 0.10 -0.22 0.00 -0.22 0.00 0.00 54.13 54.41 1kya s LEU 451 Cb -0.11 0.28 0.03 0.00 0.50 0.00 0.00 46.19 46.89 1kya s LEU 451 CO 0.21 -0.28 0.76 -1.38 -1.32 0.00 0.00 176.35 174.35 1kya s HIS 452 N 2.29 -0.20 0.29 5.38 -3.43 -0.70 -0.28 115.29 118.64 1kya s HIS 452 Ca 0.04 -0.21 -0.29 0.00 -0.80 0.00 0.00 55.06 53.80 1kya s HIS 452 Cb -0.13 0.69 -0.10 0.00 -1.43 0.00 0.00 32.58 31.61 1kya s HIS 452 CO -0.08 -1.13 1.10 0.00 -2.00 0.00 0.00 174.74 172.63 1kya n HIS 454 N 1.12 0.83 -2.79 0.00 -0.00 0.16 -4.41 115.22 110.12 1kya n HIS 454 Ca -0.01 -0.34 -0.43 0.00 0.46 0.00 0.00 57.72 57.40 1kya n HIS 454 Cb 0.45 -0.12 -0.03 0.00 -0.12 0.00 0.00 29.99 30.16 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 -1.64 4.32 0.36 3.57 1.01 -1.26 -4.66 121.20 122.90 1kya s ILE 455 Ca 0.31 -0.76 0.18 0.00 0.00 0.00 0.00 60.65 60.37 1kya s ILE 455 Cb 0.19 -4.81 0.35 0.00 0.01 0.00 0.00 42.46 38.20 1kya s ILE 455 CO 0.16 -1.60 1.64 -0.78 0.00 0.00 0.00 174.94 174.36 1kya h ASP 456 N 9.41 0.44 0.19 3.58 -0.00 -0.89 0.71 116.42 129.86 1kya h ASP 456 Ca -0.05 0.20 -0.02 0.00 -0.00 0.00 0.00 57.03 57.17 1kya h ASP 456 Cb 1.04 0.17 -0.00 0.00 -0.00 0.00 0.00 39.33 40.54 1kya h ASP 456 CO 1.21 -0.22 -0.09 -0.26 -0.00 0.00 0.00 179.24 179.88 1kya h PHE 457 N 0.22 0.00 0.06 0.28 0.04 -1.89 0.78 116.94 116.44 1kya h PHE 457 Ca 0.77 0.00 -0.28 0.00 2.80 0.00 0.00 57.97 61.26 1kya h PHE 457 Cb 1.90 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 40.03 1kya h PHE 457 CO -0.01 0.09 -1.46 0.45 -0.60 0.00 0.00 178.31 176.78 1kya h HIS 458 N 0.00 0.25 -0.12 -0.55 3.86 0.07 -3.06 115.15 115.60 1kya h HIS 458 Ca -0.00 -0.18 -0.01 0.00 -1.16 0.00 0.00 60.37 59.02 1kya h HIS 458 Cb 0.21 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.66 1kya h HIS 458 CO 0.00 1.22 0.04 1.25 0.86 0.00 0.00 177.93 181.30 1kya h LEU 459 N 0.04 0.18 -2.29 2.43 6.46 -0.76 -1.40 115.31 119.95 1kya h LEU 459 Ca -0.20 -0.19 0.04 0.00 -0.12 0.00 0.00 57.88 57.40 1kya h LEU 459 Cb 1.96 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 41.84 1kya h LEU 459 CO 0.13 0.32 0.16 -0.33 -0.62 0.00 0.00 178.44 178.11 1kya h GLU 460 N 0.02 0.00 -0.57 1.25 5.08 -0.96 0.52 114.58 119.92 1kya h GLU 460 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1kya h GLU 460 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1kya h GLU 460 CO -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 1kya n ALA 461 N -2.31 2.72 -0.34 3.43 0.00 -0.68 -4.92 120.51 118.41 1kya n ALA 461 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 53.44 52.43 1kya n ALA 461 Cb 0.27 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 1.05 0.77 2.50 0.00 0.00 0.17 -0.88 105.19 108.81 1kya n GLY 462 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.22 2.24 -4.05 1.61 7.35 -0.62 -0.97 117.46 120.80 1kya n PHE 463 Ca 0.00 -2.69 -0.10 0.00 -0.76 0.00 0.00 57.45 53.91 1kya n PHE 463 Cb 0.00 -2.23 -0.07 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 2.83 0.13 0.13 3.13 0.00 -1.26 -2.65 121.76 124.07 1kya s ALA 464 Ca 0.58 -1.09 -0.12 0.00 0.00 0.00 0.00 51.96 51.33 1kya s ALA 464 Cb 0.15 1.14 0.01 0.00 0.00 0.00 0.00 23.12 24.43 1kya s ALA 464 CO -0.05 -0.78 0.30 0.08 0.00 0.00 0.00 175.76 175.32 1kya s VAL 465 N -4.05 0.09 -0.03 0.00 1.01 0.62 -4.28 120.40 113.77 1kya s VAL 465 Ca 0.26 -1.01 0.06 0.00 0.00 0.00 0.00 61.98 61.29 1kya s VAL 465 Cb 0.01 -1.42 -0.01 0.00 0.00 0.00 0.00 36.38 34.96 1kya s VAL 465 CO 0.09 -0.43 -0.21 -0.69 0.00 0.00 0.00 175.10 173.86 1kya s VAL 466 N -3.87 1.73 -0.31 2.92 1.01 0.98 -1.29 120.40 121.56 1kya s VAL 466 Ca 0.07 -0.91 -0.06 0.00 0.00 0.00 0.00 61.98 61.08 1kya s VAL 466 Cb 0.03 -1.45 0.03 0.00 0.00 0.00 0.00 36.38 34.99 1kya s VAL 466 CO -0.08 0.49 0.07 -0.36 0.00 0.00 0.00 175.10 175.22 1kya s PHE 467 N -0.31 3.20 -0.83 5.22 0.08 0.69 -1.22 117.98 124.81 1kya s PHE 467 Ca 0.03 -1.33 -0.20 0.00 0.12 0.00 0.00 56.93 55.55 1kya s PHE 467 Cb -0.10 -2.24 0.11 0.00 -0.57 0.00 0.00 43.02 40.22 1kya s PHE 467 CO 0.01 -0.69 1.05 0.00 -0.10 0.00 0.00 175.22 175.49 1kya s ALA 468 N 1.41 3.30 -0.20 5.36 0.00 0.97 -0.51 121.76 132.08 1kya s ALA 468 Ca -0.00 -2.47 -0.26 0.00 0.00 0.00 0.00 51.96 49.23 1kya s ALA 468 Cb -0.19 -3.96 -0.01 0.00 0.00 0.00 0.00 23.12 18.97 1kya s ALA 468 CO 0.02 -2.88 0.89 -2.00 0.00 0.00 0.00 175.76 171.78 1kya s GLU 469 N 3.08 4.26 -0.97 0.00 2.12 -0.46 -1.53 118.70 125.20 1kya s GLU 469 Ca 0.28 1.10 -0.12 0.00 0.36 0.00 0.00 54.97 56.58 1kya s GLU 469 Cb -0.10 -3.61 0.01 0.00 0.26 0.00 0.00 34.13 30.69 1kya s GLU 469 CO -0.03 -0.46 0.68 -3.47 -0.54 0.00 0.00 175.26 171.44 1kya n ASP 470 N 5.72 -5.25 -0.29 -1.70 2.03 0.11 -0.64 116.55 116.53 1kya n ASP 470 Ca 0.07 -0.92 0.12 0.00 0.52 0.00 0.00 54.79 54.57 1kya n ASP 470 Cb 0.48 -2.60 0.28 0.00 -0.72 0.00 0.00 41.12 38.55 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 -1.06 0.47 -0.61 5.18 2.04 -1.81 -2.33 117.51 119.39 1kya h ILE 471 Ca -0.57 -0.12 0.05 0.00 1.00 0.00 0.00 64.86 65.22 1kya h ILE 471 Cb 1.34 0.08 -0.05 0.00 -0.74 0.00 0.00 36.82 37.44 1kya h ILE 471 CO 0.42 0.07 0.33 -0.65 0.00 0.00 0.00 178.15 178.31 1kya h PRO 472 N 0.36 0.60 0.00 2.37 0.11 -1.91 -2.39 132.00 131.14 1kya h PRO 472 Ca 0.53 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.60 1kya h PRO 472 Cb 0.99 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1kya h PRO 472 CO -0.54 0.40 -0.05 -0.25 -0.21 0.00 0.00 178.00 177.35 1kya n ASP 473 N -4.82 0.28 -0.01 -2.05 8.00 -0.91 -4.42 116.55 112.62 1kya n ASP 473 Ca 0.07 0.47 -0.13 0.00 0.71 0.00 0.00 54.79 55.91 1kya n ASP 473 Cb 0.16 -0.52 -0.08 0.00 -0.02 0.00 0.00 41.12 40.65 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 -0.51 2.53 2.07 -1.06 0.27 116.25 119.55 1kya h VAL 474 Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 1kya h VAL 474 Cb 0.58 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 1kya h VAL 474 CO 0.00 0.00 0.29 0.00 0.02 0.00 0.00 177.57 177.88 1kya h ALA 475 N -0.49 0.65 -0.44 1.67 0.00 -1.77 -1.62 119.26 117.25 1kya h ALA 475 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1kya h ALA 475 Cb 0.57 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1kya h ALA 475 CO -0.37 -0.03 -0.20 0.66 0.00 0.00 0.00 179.25 179.32 1kya h SER 476 N 0.57 0.94 0.51 0.00 4.64 -1.78 -3.14 113.55 115.29 1kya h SER 476 Ca 0.21 -0.40 -0.07 0.00 -0.47 0.00 0.00 61.79 61.07 1kya h SER 476 Cb 0.06 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.88 1kya h SER 476 CO -0.11 1.13 -0.33 0.00 -0.87 0.00 0.00 176.83 176.65 1kya h ALA 477 N 0.84 1.24 -2.32 5.18 0.00 -0.26 -3.36 119.26 120.58 1kya h ALA 477 Ca 0.10 -0.30 -0.61 0.00 0.00 0.00 0.00 54.91 54.11 1kya h ALA 477 Cb 0.76 -0.05 -0.42 0.00 0.00 0.00 0.00 17.79 18.08 1kya h ALA 477 CO 0.06 0.41 -0.55 0.09 0.00 0.00 0.00 179.25 179.26 1kya n ASN 478 N -3.83 3.74 -4.67 0.00 4.13 -0.63 -4.31 115.26 109.69 1kya n ASN 478 Ca -0.01 -3.41 -0.45 0.00 1.68 0.00 0.00 54.58 52.38 1kya n ASN 478 Cb 0.41 -0.70 -0.03 0.00 -1.54 0.00 0.00 39.78 37.91 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 1.02 2.07 -4.31 3.52 -0.02 -1.26 -4.89 135.00 131.14 1kya n PRO 479 Ca 0.28 0.74 -0.34 0.00 -2.02 0.00 0.00 63.50 62.16 1kya n PRO 479 Cb 0.40 -2.44 -0.11 0.00 -0.02 0.00 0.00 33.50 31.33 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 0.34 4.21 0.65 -1.45 -7.23 -1.26 -4.95 120.40 110.71 1kya s VAL 480 Ca 0.73 -0.25 -0.15 0.00 -1.81 0.00 0.00 61.98 60.49 1kya s VAL 480 Cb -0.67 -2.84 -0.00 0.00 0.56 0.00 0.00 36.38 33.43 1kya s VAL 480 CO 0.45 0.52 1.10 -2.16 -0.31 0.00 0.00 175.10 174.70 1kya s PRO 481 N 0.00 2.85 0.23 4.82 0.04 -1.26 -4.88 135.00 136.81 1kya s PRO 481 Ca 0.02 1.36 -0.07 0.00 0.04 0.00 0.00 61.00 62.35 1kya s PRO 481 Cb -0.13 -1.96 0.38 0.00 0.04 0.00 0.00 34.50 32.84 1kya s PRO 481 CO 0.02 -1.20 1.69 -0.56 0.04 0.00 0.00 177.00 176.99 1kya h GLN 482 N 0.05 0.25 -0.87 4.56 -0.00 -1.99 -0.22 115.11 116.90 1kya h GLN 482 Ca -0.47 -0.02 0.17 0.00 -0.00 0.00 0.00 58.65 58.34 1kya h GLN 482 Cb 1.24 -0.06 -0.07 0.00 -0.00 0.00 0.00 27.48 28.60 1kya h GLN 482 CO 0.54 0.17 0.57 0.00 -0.00 0.00 0.00 178.83 180.11 1kya h ALA 483 N 1.56 2.03 -0.28 0.06 0.00 -1.99 -0.88 119.26 119.75 1kya h ALA 483 Ca 0.37 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.21 1kya h ALA 483 Cb 0.60 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1kya h ALA 483 CO -0.47 -0.28 -0.16 2.35 0.00 0.00 0.00 179.25 180.69 1kya h TRP 484 N 0.52 0.71 0.00 0.00 7.01 -1.40 -2.68 115.95 120.11 1kya h TRP 484 Ca 0.44 -0.18 0.00 0.00 2.11 0.00 0.00 58.89 61.26 1kya h TRP 484 Cb 0.92 -0.16 0.00 0.00 -2.10 0.00 0.00 29.16 27.82 1kya h TRP 484 CO -0.00 0.86 0.00 -1.13 -2.79 0.00 0.00 178.44 175.38 1kya n SER 485 N -4.40 0.65 0.07 2.65 3.41 -0.42 -2.14 113.62 113.44 1kya n SER 485 Ca -0.03 0.67 0.06 0.00 -0.26 0.00 0.00 58.87 59.31 1kya n SER 485 Cb 0.38 -0.81 -0.04 0.00 -0.26 0.00 0.00 64.21 63.48 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 -2.24 0.84 -0.17 4.04 8.00 -0.66 -4.45 116.55 121.90 1kya n ASP 486 Ca 0.02 0.35 -0.09 0.00 0.71 0.00 0.00 54.79 55.77 1kya n ASP 486 Cb 0.21 0.34 -0.04 0.00 -0.02 0.00 0.00 41.12 41.61 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 -1.45 -0.26 0.64 4.07 -1.10 -2.50 115.31 114.70 1kya h LEU 487 Ca -0.08 0.23 -0.01 0.00 0.08 0.00 0.00 57.88 58.11 1kya h LEU 487 Cb 1.27 0.65 -0.01 0.00 1.08 0.00 0.00 40.66 43.65 1kya h LEU 487 CO 0.02 -0.35 0.12 0.00 -1.08 0.00 0.00 178.44 177.16 1kya h PRO 489 N 0.29 0.80 -0.05 0.00 0.11 -1.75 0.18 132.00 131.58 1kya h PRO 489 Ca 0.09 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 66.01 1kya h PRO 489 Cb 0.13 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.04 1kya h PRO 489 CO -0.01 0.53 -0.59 0.00 -0.21 0.00 0.00 178.00 177.72 1kya h THR 490 N 0.83 1.40 -0.02 -1.15 1.03 -1.36 -2.85 112.91 110.79 1kya h THR 490 Ca 0.33 -1.98 -0.24 0.00 -0.01 0.00 0.00 66.41 64.52 1kya h THR 490 Cb 0.17 2.02 0.02 0.00 -1.07 0.00 0.00 68.15 69.29 1kya h THR 490 CO -0.17 0.58 -0.92 0.22 -0.01 0.00 0.00 175.52 175.22 1kya h TYR 491 N 0.12 0.95 0.00 0.00 3.20 -0.37 -3.28 116.97 117.60 1kya h TYR 491 Ca -0.01 -0.51 -0.04 0.00 3.14 0.00 0.00 58.73 61.32 1kya h TYR 491 Cb 1.08 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.23 1kya h TYR 491 CO 0.01 1.34 -0.20 -0.44 -1.64 0.00 0.00 178.16 177.23 1kya h ASP 492 N 0.30 0.00 1.17 -2.11 3.32 -0.72 -2.77 116.42 115.61 1kya h ASP 492 Ca -0.11 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.90 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 0.20 -0.18 0.00 -1.72 0.00 0.00 179.24 177.72 1kya h ALA 493 N 1.80 0.97 -2.88 3.45 0.00 -1.56 -3.45 119.26 117.59 1kya h ALA 493 Ca -0.00 -0.17 -0.53 0.00 0.00 0.00 0.00 54.91 54.21 1kya h ALA 493 Cb 0.69 -0.03 0.10 0.00 0.00 0.00 0.00 17.79 18.55 1kya h ALA 493 CO 0.03 0.23 0.57 1.03 0.00 0.00 0.00 179.25 181.10 1kya s ARG 494 N -3.50 3.51 0.38 0.00 1.81 -1.05 -5.01 118.95 115.09 1kya s ARG 494 Ca 0.02 2.06 -0.21 0.00 -1.72 0.00 0.00 55.73 55.88 1kya s ARG 494 Cb 0.09 -2.40 -0.10 0.00 -0.45 0.00 0.00 34.95 32.09 1kya s ARG 494 CO 0.64 -0.84 0.90 -0.51 -0.68 0.00 0.00 175.30 174.81 1kya s ASP 495 N -1.06 7.00 0.30 0.23 1.01 -1.26 -4.94 116.67 117.95 1kya s ASP 495 Ca 0.66 1.64 0.10 0.00 0.71 0.00 0.00 52.55 55.66 1kya s ASP 495 Cb -0.36 -2.51 0.95 0.00 1.01 0.00 0.00 42.92 42.01 1kya s ASP 495 CO 0.43 -0.25 1.41 -2.65 0.21 0.00 0.00 175.17 174.32 1kya n PRO 496 N -0.27 -0.06 -0.09 8.23 -0.02 -1.26 -1.94 135.00 139.58 1kya n PRO 496 Ca 0.05 1.28 -0.18 0.00 -2.02 0.00 0.00 63.50 62.63 1kya n PRO 496 Cb 0.53 -2.17 -0.13 0.00 -0.02 0.00 0.00 33.50 31.71 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 -5.16 1.89 -0.24 2.55 3.41 -1.26 -4.21 113.62 110.59 1kya n SER 497 Ca 0.28 -0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 1kya n SER 497 Cb 0.92 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 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 -3.28 0.04 0.00 4.04 8.00 -0.82 -4.84 116.55 119.69 1kya n ASP 498 Ca -0.41 -0.18 0.00 0.00 0.71 0.00 0.00 54.79 54.91 1kya n ASP 498 Cb 1.02 -0.02 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