#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 4.91 0.36 -0.61 -4.36 -1.12 -4.87 121.20 115.51 1kya s ILE 2 Ca 0.00 -0.53 -0.09 0.00 -0.26 0.00 0.00 60.65 59.76 1kya s ILE 2 Cb 0.00 -4.27 -0.07 0.00 1.25 0.00 0.00 42.46 39.37 1kya s ILE 2 CO 0.00 -0.77 -0.52 0.61 0.24 0.00 0.00 174.94 174.50 1kya n GLY 3 N 5.17 -1.16 0.53 6.27 0.00 -1.26 -3.56 105.19 111.18 1kya n GLY 3 Ca -0.07 -0.08 0.35 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.36 0.06 -5.00 1.61 0.11 -1.86 -3.37 132.00 123.20 1kya h PRO 4 Ca -0.14 -0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.31 1kya h PRO 4 Cb 0.49 -0.01 -0.27 0.00 0.11 0.00 0.00 31.00 31.32 1kya h PRO 4 CO 0.08 0.04 -0.71 0.14 -0.21 0.00 0.00 178.00 177.33 1kya s VAL 5 N -5.03 3.45 0.10 3.15 -7.23 -1.26 -1.22 120.40 112.36 1kya s VAL 5 Ca -0.06 -0.47 -0.26 0.00 -1.81 0.00 0.00 61.98 59.39 1kya s VAL 5 Cb 0.24 -2.57 0.08 0.00 0.56 0.00 0.00 36.38 34.68 1kya s VAL 5 CO 0.81 0.42 0.80 0.00 -0.31 0.00 0.00 175.10 176.82 1kya s ALA 6 N 1.48 -1.66 -0.11 1.32 0.00 -0.90 -5.00 121.76 116.89 1kya s ALA 6 Ca 0.06 0.55 -0.05 0.00 0.00 0.00 0.00 51.96 52.51 1kya s ALA 6 Cb -0.14 0.64 -0.04 0.00 0.00 0.00 0.00 23.12 23.58 1kya s ALA 6 CO -0.03 -0.82 0.09 -0.51 0.00 0.00 0.00 175.76 174.50 1kya s ASP 7 N -2.69 5.99 -0.43 0.00 1.01 -1.26 -1.13 116.67 118.15 1kya s ASP 7 Ca 0.06 0.36 0.03 0.00 0.71 0.00 0.00 52.55 53.71 1kya s ASP 7 Cb -0.02 -1.86 0.12 0.00 1.01 0.00 0.00 42.92 42.17 1kya s ASP 7 CO -0.06 0.40 0.18 -0.76 0.21 0.00 0.00 175.17 175.13 1kya s LEU 8 N -0.99 4.00 -0.40 1.23 1.43 0.17 -4.91 118.68 119.20 1kya s LEU 8 Ca 0.14 -2.57 -0.25 0.00 -1.03 0.00 0.00 54.13 50.43 1kya s LEU 8 Cb -0.12 -1.47 0.02 0.00 0.03 0.00 0.00 46.19 44.65 1kya s LEU 8 CO 0.04 -0.30 0.90 -0.89 0.23 0.00 0.00 176.35 176.32 1kya s THR 9 N 0.35 4.57 -0.20 5.49 2.01 -1.26 -0.55 115.64 126.05 1kya s THR 9 Ca 0.15 0.97 -0.17 0.00 0.31 0.00 0.00 61.69 62.94 1kya s THR 9 Cb -0.23 -4.34 -0.04 0.00 0.01 0.00 0.00 72.50 67.90 1kya s THR 9 CO -0.05 -0.62 0.46 -0.63 -0.69 0.00 0.00 174.62 173.09 1kya s ILE 10 N 3.50 5.15 0.30 1.82 -1.09 0.15 -1.13 121.20 129.90 1kya s ILE 10 Ca 0.36 0.84 0.01 0.00 -2.23 0.00 0.00 60.65 59.63 1kya s ILE 10 Cb -0.12 -3.79 -0.02 0.00 -1.58 0.00 0.00 42.46 36.96 1kya s ILE 10 CO 0.21 0.21 0.33 0.42 -1.23 0.00 0.00 174.94 174.88 1kya s THR 11 N 1.49 0.00 0.07 2.92 -4.23 -0.50 -0.59 115.64 114.80 1kya s THR 11 Ca 0.22 -1.82 0.01 0.00 -1.18 0.00 0.00 61.69 58.92 1kya s THR 11 Cb -0.15 -2.53 -0.04 0.00 1.34 0.00 0.00 72.50 71.12 1kya s THR 11 CO 0.09 0.00 0.15 0.20 -0.54 0.00 0.00 174.62 174.52 1kya s ASN 12 N -3.26 6.00 -0.16 3.99 0.02 -1.26 0.16 114.94 120.43 1kya s ASN 12 Ca 0.36 0.14 -0.30 0.00 -1.02 0.00 0.00 52.86 52.04 1kya s ASN 12 Cb 0.02 -1.75 0.12 0.00 0.02 0.00 0.00 41.25 39.66 1kya s ASN 12 CO 0.21 0.17 0.96 0.00 0.02 0.00 0.00 177.10 178.46 1kya s ALA 13 N -1.47 -1.92 0.19 0.60 0.00 -0.64 -4.89 121.76 113.64 1kya s ALA 13 Ca 0.32 1.58 -0.30 0.00 0.00 0.00 0.00 51.96 53.57 1kya s ALA 13 Cb -0.13 -0.69 -0.08 0.00 0.00 0.00 0.00 23.12 22.23 1kya s ALA 13 CO 0.25 -0.31 1.05 0.00 0.00 0.00 0.00 175.76 176.75 1kya s ALA 14 N -1.02 3.35 0.10 0.00 0.00 -1.26 -1.06 121.76 121.87 1kya s ALA 14 Ca -0.02 0.75 -0.07 0.00 0.00 0.00 0.00 51.96 52.62 1kya s ALA 14 Cb -0.01 -3.31 -0.01 0.00 0.00 0.00 0.00 23.12 19.79 1kya s ALA 14 CO 0.02 -0.10 0.16 0.54 0.00 0.00 0.00 175.76 176.38 1kya s VAL 15 N -0.48 0.13 -0.42 0.00 0.11 -0.02 -4.90 120.40 114.81 1kya s VAL 15 Ca 0.47 -1.40 0.08 0.00 -2.93 0.00 0.00 61.98 58.21 1kya s VAL 15 Cb -0.28 -1.55 0.31 0.00 -1.53 0.00 0.00 36.38 33.34 1kya s VAL 15 CO 0.34 -0.61 0.90 -1.54 -3.33 0.00 0.00 175.10 170.86 1kya n SER 16 N -0.07 -1.05 0.25 3.54 3.41 -1.26 -0.59 113.62 117.86 1kya n SER 16 Ca -0.12 -3.32 0.17 0.00 -0.26 0.00 0.00 58.87 55.34 1kya n SER 16 Cb 0.62 0.77 0.89 0.00 -0.26 0.00 0.00 64.21 66.24 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 3.21 0.00 -0.14 4.33 0.13 -1.81 -1.61 132.00 136.10 1kya h PRO 17 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 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 0.32 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.69 1kya n ASP 18 N -3.71 2.52 0.00 1.44 5.75 -1.26 -2.74 116.55 118.55 1kya n ASP 18 Ca -0.00 -2.19 0.00 0.00 -0.01 0.00 0.00 54.79 52.58 1kya n ASP 18 Cb 0.23 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.15 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 -0.24 2.84 3.63 6.12 0.00 -0.61 -4.36 105.19 112.57 1kya n GLY 19 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.80 3.30 0.04 1.61 5.36 -1.26 -4.98 117.98 119.25 1kya s PHE 20 Ca 0.00 0.45 -0.30 0.00 -0.96 0.00 0.00 56.93 56.12 1kya s PHE 20 Cb 0.00 -2.52 -0.04 0.00 -0.34 0.00 0.00 43.02 40.12 1kya s PHE 20 CO 0.00 -0.12 1.03 0.45 -1.46 0.00 0.00 175.22 175.12 1kya s SER 21 N 1.38 7.33 -0.18 6.13 0.15 -1.26 -4.05 113.70 123.19 1kya s SER 21 Ca 0.15 1.79 -0.26 0.00 0.70 0.00 0.00 55.95 58.33 1kya s SER 21 Cb -0.15 -2.58 0.07 0.00 -1.71 0.00 0.00 66.02 61.65 1kya s SER 21 CO 0.09 -0.26 0.67 0.00 1.20 0.00 0.00 173.24 174.94 1kya s ARG 22 N 0.74 0.88 0.51 5.44 1.04 0.24 -4.92 118.95 122.88 1kya s ARG 22 Ca 0.52 0.69 -0.22 0.00 -1.04 0.00 0.00 55.73 55.69 1kya s ARG 22 Cb -0.24 0.42 -0.06 0.00 -2.04 0.00 0.00 34.95 33.04 1kya s ARG 22 CO 0.29 -0.18 1.21 -0.65 -0.04 0.00 0.00 175.30 175.94 1kya s GLN 23 N -0.20 3.46 0.35 3.89 -1.52 -1.26 -0.84 119.66 123.54 1kya s GLN 23 Ca -0.04 1.88 -0.17 0.00 -1.95 0.00 0.00 55.36 55.08 1kya s GLN 23 Cb -0.03 -2.27 0.04 0.00 -0.22 0.00 0.00 33.01 30.53 1kya s GLN 23 CO 0.04 -0.83 0.75 0.00 -0.25 0.00 0.00 175.29 175.01 1kya s ALA 24 N -1.51 -0.81 -0.24 6.09 0.00 -0.22 -4.89 121.76 120.18 1kya s ALA 24 Ca 0.68 -0.66 -0.17 0.00 0.00 0.00 0.00 51.96 51.82 1kya s ALA 24 Cb -0.31 0.75 -0.03 0.00 0.00 0.00 0.00 23.12 23.52 1kya s ALA 24 CO 0.37 -0.99 0.45 0.08 0.00 0.00 0.00 175.76 175.66 1kya s VAL 25 N -2.81 5.14 0.11 0.00 1.01 -0.17 -1.63 120.40 122.05 1kya s VAL 25 Ca 0.15 0.76 0.10 0.00 0.00 0.00 0.00 61.98 63.00 1kya s VAL 25 Cb -0.05 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 1kya s VAL 25 CO 0.10 0.16 -0.26 -0.69 0.00 0.00 0.00 175.10 174.42 1kya s VAL 26 N 1.87 2.33 -0.23 2.92 1.01 0.12 -3.32 120.40 125.09 1kya s VAL 26 Ca 0.19 -1.67 -0.03 0.00 0.00 0.00 0.00 61.98 60.48 1kya s VAL 26 Cb -0.15 -2.02 0.01 0.00 0.00 0.00 0.00 36.38 34.22 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 -1.03 3.13 -1.27 2.92 1.01 0.31 -1.42 120.40 124.05 1kya s VAL 27 Ca 0.14 -0.73 -0.01 0.00 0.00 0.00 0.00 61.98 61.39 1kya s VAL 27 Cb -0.10 -2.49 0.00 0.00 0.00 0.00 0.00 36.38 33.79 1kya s VAL 27 CO 0.06 0.33 0.05 0.59 0.00 0.00 0.00 175.10 176.13 1kya n ASN 28 N 4.74 -4.50 0.00 3.32 4.13 -0.28 -1.98 115.26 120.70 1kya n ASN 28 Ca -0.18 0.09 0.00 0.00 1.68 0.00 0.00 54.58 56.18 1kya n ASN 28 Cb 0.49 -3.79 0.00 0.00 -1.54 0.00 0.00 39.78 34.95 1kya n ASN 28 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1kya n GLY 29 N -0.90 3.03 3.30 7.41 0.00 -1.26 -5.02 105.19 111.74 1kya n GLY 29 Ca -0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.71 1.28 -0.02 -0.02 0.00 -0.84 -4.99 107.32 100.03 1kya s GLY 30 Ca 0.00 -1.35 -0.07 0.00 0.00 0.00 0.00 44.72 43.30 1kya s GLY 30 CO 0.00 -1.38 0.50 -0.84 0.00 0.00 0.00 173.10 171.38 1kya h THR 31 N 3.67 0.00 -0.81 0.90 2.02 -1.83 0.91 112.91 117.77 1kya h THR 31 Ca -0.44 -0.27 -0.35 0.00 0.77 0.00 0.00 66.41 66.12 1kya h THR 31 Cb 1.19 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 1kya h THR 31 CO 0.46 0.00 1.33 -2.65 0.37 0.00 0.00 175.52 175.03 1kya n PRO 32 N -3.42 0.60 -0.76 6.66 -0.02 -1.26 -4.10 135.00 132.70 1kya n PRO 32 Ca -0.03 -0.20 -0.33 0.00 -2.02 0.00 0.00 63.50 60.91 1kya n PRO 32 Cb 0.10 -2.84 0.13 0.00 -0.02 0.00 0.00 33.50 30.87 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 6.24 -2.51 3.77 -1.23 0.00 0.40 -4.88 105.19 106.98 1kya n GLY 33 Ca 0.49 -0.72 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.30 3.76 -0.03 1.61 0.02 -1.26 -4.38 135.00 131.41 1kya s PRO 34 Ca 0.54 2.25 -0.30 0.00 0.02 0.00 0.00 61.00 63.51 1kya s PRO 34 Cb -0.14 -2.65 -0.06 0.00 0.02 0.00 0.00 34.50 31.68 1kya s PRO 34 CO 0.68 -0.70 1.57 -1.17 -0.33 0.00 0.00 177.00 177.06 1kya s LEU 35 N -2.69 4.32 -0.17 -5.54 2.96 -1.26 -4.48 118.68 111.82 1kya s LEU 35 Ca 0.60 2.21 -0.11 0.00 -0.22 0.00 0.00 54.13 56.61 1kya s LEU 35 Cb -0.40 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.70 1kya s LEU 35 CO 0.51 -0.87 0.18 -0.63 -1.32 0.00 0.00 176.35 174.23 1kya s ILE 36 N 3.47 5.38 0.18 6.68 1.01 -0.37 -2.80 121.20 134.75 1kya s ILE 36 Ca 0.70 0.31 0.01 0.00 0.00 0.00 0.00 60.65 61.67 1kya s ILE 36 Cb -0.33 -3.51 -0.05 0.00 0.01 0.00 0.00 42.46 38.58 1kya s ILE 36 CO 0.28 0.46 0.03 0.42 0.00 0.00 0.00 174.94 176.12 1kya s THR 37 N 0.15 0.54 0.00 2.92 -4.23 -1.23 -0.13 115.64 113.66 1kya s THR 37 Ca 0.12 -1.97 0.00 0.00 -1.18 0.00 0.00 61.69 58.66 1kya s THR 37 Cb -0.12 -2.17 0.00 0.00 1.34 0.00 0.00 72.50 71.55 1kya s THR 37 CO 0.01 -0.41 0.00 0.61 -0.54 0.00 0.00 174.62 174.29 1kya n GLY 38 N -0.24 -0.41 3.74 3.99 0.00 -0.87 -3.20 105.19 108.20 1kya n GLY 38 Ca -0.05 -0.94 -0.26 0.00 0.00 0.00 0.00 46.02 44.77 1kya n GLY 38 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1kya s ASN 39 N 0.00 5.16 0.15 1.61 0.01 -1.26 -0.34 114.94 120.26 1kya s ASN 39 Ca 0.00 -0.27 -0.34 0.00 -0.71 0.00 0.00 52.86 51.54 1kya s ASN 39 Cb 0.00 -1.23 -0.15 0.00 0.41 0.00 0.00 41.25 40.28 1kya s ASN 39 CO 0.00 0.07 1.51 0.80 -1.51 0.00 0.00 177.10 177.96 1kya n MET 40 N -0.31 1.89 0.00 -0.60 0.00 0.50 -0.95 117.12 117.65 1kya n MET 40 Ca -0.09 0.68 0.00 0.00 -0.00 0.00 0.00 57.70 58.29 1kya n MET 40 Cb 0.55 -2.41 0.00 0.00 0.00 0.00 0.00 33.22 31.36 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 3.11 3.26 3.70 -5.12 0.00 0.13 -4.95 105.19 105.33 1kya n GLY 41 Ca 0.17 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 1.59 -4.57 1.61 9.92 -0.12 -4.55 116.55 120.43 1kya n ASP 42 Ca 0.00 0.74 -0.39 0.00 -0.53 0.00 0.00 54.79 54.61 1kya n ASP 42 Cb 0.00 -1.53 -0.10 0.00 -0.64 0.00 0.00 41.12 38.85 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 -3.57 3.78 -0.13 -1.24 3.52 -1.26 -1.92 118.95 118.12 1kya s ARG 43 Ca 0.79 -0.36 -0.17 0.00 -0.13 0.00 0.00 55.73 55.86 1kya s ARG 43 Cb -0.35 -3.72 -0.04 0.00 -1.56 0.00 0.00 34.95 29.28 1kya s ARG 43 CO 0.44 -0.32 0.43 -0.06 -0.81 0.00 0.00 175.30 174.99 1kya s PHE 44 N 1.84 3.49 -0.48 5.12 0.40 0.17 -4.62 117.98 123.91 1kya s PHE 44 Ca 0.09 0.81 0.03 0.00 -0.60 0.00 0.00 56.93 57.26 1kya s PHE 44 Cb -0.16 -2.51 0.15 0.00 0.51 0.00 0.00 43.02 41.00 1kya s PHE 44 CO 0.11 0.17 0.29 -0.65 0.70 0.00 0.00 175.22 175.84 1kya s GLN 45 N 0.65 1.46 -0.41 0.44 -0.21 -0.36 -1.22 119.66 120.03 1kya s GLN 45 Ca 0.24 -2.27 -0.15 0.00 0.02 0.00 0.00 55.36 53.20 1kya s GLN 45 Cb -0.15 -2.44 0.02 0.00 1.00 0.00 0.00 33.01 31.44 1kya s GLN 45 CO 0.09 -1.21 0.29 -0.51 -2.12 0.00 0.00 175.29 171.83 1kya s LEU 46 N -0.01 5.08 -0.43 2.90 1.43 0.07 -2.11 118.68 125.61 1kya s LEU 46 Ca 0.21 -0.91 -0.22 0.00 -1.03 0.00 0.00 54.13 52.18 1kya s LEU 46 Cb -0.17 -2.15 0.02 0.00 0.03 0.00 0.00 46.19 43.92 1kya s LEU 46 CO -0.05 -0.44 0.71 0.21 0.23 0.00 0.00 176.35 177.01 1kya s ASN 47 N 1.67 6.39 -0.43 2.29 2.47 -0.29 -0.96 114.94 126.08 1kya s ASN 47 Ca 0.05 -0.14 -0.21 0.00 0.42 0.00 0.00 52.86 52.98 1kya s ASN 47 Cb -0.19 -2.35 0.02 0.00 -1.45 0.00 0.00 41.25 37.28 1kya s ASN 47 CO 0.10 -0.82 0.64 -0.69 -3.72 0.00 0.00 177.10 172.61 1kya s VAL 48 N 3.03 4.84 -0.45 -5.21 1.01 -0.35 0.44 120.40 123.72 1kya s VAL 48 Ca 0.27 0.16 -0.16 0.00 0.00 0.00 0.00 61.98 62.25 1kya s VAL 48 Cb -0.13 -4.19 0.05 0.00 0.00 0.00 0.00 36.38 32.11 1kya s VAL 48 CO 0.20 -0.56 0.38 -0.63 0.00 0.00 0.00 175.10 174.49 1kya s ILE 49 N 2.79 5.21 -0.60 2.22 1.01 0.29 -1.60 121.20 130.52 1kya s ILE 49 Ca 0.23 -0.81 -0.24 0.00 0.00 0.00 0.00 60.65 59.83 1kya s ILE 49 Cb -0.14 -4.05 0.05 0.00 0.01 0.00 0.00 42.46 38.33 1kya s ILE 49 CO 0.18 -0.47 0.97 -0.62 0.00 0.00 0.00 174.94 175.00 1kya s ASP 50 N 2.18 6.28 -0.28 3.58 3.68 -0.53 0.31 116.67 131.88 1kya s ASP 50 Ca 0.06 -0.56 0.08 0.00 2.13 0.00 0.00 52.55 54.26 1kya s ASP 50 Cb -0.21 -2.44 0.45 0.00 -1.45 0.00 0.00 42.92 39.27 1kya s ASP 50 CO 0.09 -1.33 1.25 0.59 0.13 0.00 0.00 175.17 175.90 1kya n ASN 51 N 7.64 3.88 -4.79 -0.34 3.02 0.25 -0.34 115.26 124.58 1kya n ASN 51 Ca -0.00 -3.80 -0.33 0.00 -0.03 0.00 0.00 54.58 50.42 1kya n ASN 51 Cb 0.47 -0.44 0.02 0.00 -0.61 0.00 0.00 39.78 39.22 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 -3.48 3.47 0.00 3.41 1.43 -1.15 -4.56 118.68 117.80 1kya s LEU 52 Ca 0.47 1.86 0.00 0.00 -1.03 0.00 0.00 54.13 55.43 1kya s LEU 52 Cb 0.40 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 42.08 1kya s LEU 52 CO 0.00 -1.28 0.01 0.35 0.23 0.00 0.00 176.35 175.66 1kya n THR 53 N -2.13 0.00 -3.22 5.49 -2.24 -1.26 -4.77 114.28 106.15 1kya n THR 53 Ca 0.09 -0.08 -0.45 0.00 -2.27 0.00 0.00 64.05 61.35 1kya n THR 53 Cb 0.53 1.15 -0.05 0.00 -2.10 0.00 0.00 70.33 69.85 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 -0.13 6.19 0.24 3.42 3.84 -1.26 -4.95 114.94 122.29 1kya s ASN 54 Ca 0.00 -1.45 -0.05 0.00 0.21 0.00 0.00 52.86 51.56 1kya s ASN 54 Cb 0.00 -2.25 0.32 0.00 -0.55 0.00 0.00 41.25 38.76 1kya s ASN 54 CO 0.00 -0.94 1.87 -0.74 -2.79 0.00 0.00 177.10 174.50 1kya h HIS 55 N 9.01 1.06 -0.00 0.43 -0.00 -1.93 -2.00 115.15 121.71 1kya h HIS 55 Ca -0.29 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.11 1kya h HIS 55 Cb 1.10 -0.35 -0.00 0.00 -0.00 0.00 0.00 27.41 28.16 1kya h HIS 55 CO 0.76 0.57 0.02 1.79 -0.00 0.00 0.00 177.93 181.07 1kya h THR 56 N 1.07 0.13 -0.16 6.26 1.35 -1.96 0.43 112.91 120.03 1kya h THR 56 Ca 0.37 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.23 1kya h THR 56 Cb 0.10 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 67.50 1kya h THR 56 CO -0.15 0.00 0.00 0.23 -0.25 0.00 0.00 175.52 175.35 1kya n MET 57 N -3.27 1.58 -1.86 4.72 2.81 -0.92 -4.62 117.12 115.56 1kya n MET 57 Ca -0.03 -1.62 -0.00 0.00 -1.81 0.00 0.00 57.70 54.24 1kya n MET 57 Cb 0.09 -1.29 -0.00 0.00 -0.71 0.00 0.00 33.22 31.30 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 0.80 -3.73 0.30 4.03 4.77 0.15 -4.82 117.00 118.49 1kya n LEU 58 Ca 0.10 0.48 0.04 0.00 -0.03 0.00 0.00 56.01 56.60 1kya n LEU 58 Cb 0.39 -1.71 0.21 0.00 -2.33 0.00 0.00 43.42 39.99 1kya n LEU 58 CO 0.09 -1.01 0.99 0.11 -1.33 0.00 0.00 177.39 176.24 1kya h LYS 59 N 0.97 0.00 -6.64 3.23 1.57 -1.73 -3.39 116.57 110.58 1kya h LYS 59 Ca -0.03 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 58.29 1kya h LYS 59 Cb 0.06 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.39 1kya h LYS 59 CO 0.03 0.00 -0.13 -1.12 -0.57 0.00 0.00 179.45 177.66 1kya s SER 60 N -3.29 5.91 0.16 0.86 0.01 -1.25 -3.64 113.70 112.46 1kya s SER 60 Ca -0.01 0.27 -0.23 0.00 1.31 0.00 0.00 55.95 57.29 1kya s SER 60 Cb 0.02 -1.58 0.07 0.00 0.21 0.00 0.00 66.02 64.74 1kya s SER 60 CO 0.07 -0.62 0.62 0.28 0.41 0.00 0.00 173.24 174.00 1kya s THR 61 N -2.49 0.00 -0.19 1.44 -1.32 -1.04 -4.94 115.64 107.10 1kya s THR 61 Ca 0.47 -0.05 -0.16 0.00 -1.21 0.00 0.00 61.69 60.74 1kya s THR 61 Cb -0.10 -1.05 0.05 0.00 -1.51 0.00 0.00 72.50 69.89 1kya s THR 61 CO 0.37 0.00 0.49 -0.55 -2.21 0.00 0.00 174.62 172.72 1kya s SER 62 N -2.75 -0.54 -0.10 8.08 0.15 -1.26 -0.02 113.70 117.27 1kya s SER 62 Ca 0.02 1.00 0.04 0.00 0.70 0.00 0.00 55.95 57.71 1kya s SER 62 Cb -0.01 0.98 -0.00 0.00 -1.71 0.00 0.00 66.02 65.28 1kya s SER 62 CO -0.12 -0.18 -0.24 -0.63 1.20 0.00 0.00 173.24 173.28 1kya s ILE 63 N 0.54 2.11 -0.08 6.45 1.01 -1.26 -0.20 121.20 129.77 1kya s ILE 63 Ca -0.02 -1.01 -0.05 0.00 0.00 0.00 0.00 60.65 59.58 1kya s ILE 63 Cb -0.04 -1.80 -0.04 0.00 0.01 0.00 0.00 42.46 40.59 1kya s ILE 63 CO -0.03 0.56 0.12 -2.28 0.00 0.00 0.00 174.94 173.31 1kya s HIS 64 N 0.29 3.48 -0.69 3.97 5.65 -0.70 -3.87 115.29 123.42 1kya s HIS 64 Ca -0.17 0.40 -0.09 0.00 0.25 0.00 0.00 55.06 55.45 1kya s HIS 64 Cb -0.17 -1.87 0.18 0.00 -1.18 0.00 0.00 32.58 29.54 1kya s HIS 64 CO 0.08 0.65 0.57 -1.58 -0.65 0.00 0.00 174.74 173.82 1kya s TRP 65 N -1.08 3.56 -0.09 3.88 0.52 -1.25 -2.28 118.94 122.21 1kya s TRP 65 Ca 0.18 -2.25 -0.30 0.00 0.02 0.00 0.00 56.10 53.74 1kya s TRP 65 Cb -0.12 -3.53 -0.08 0.00 -1.15 0.00 0.00 33.47 28.59 1kya s TRP 65 CO 0.08 -0.93 2.06 1.58 0.02 0.00 0.00 176.95 179.76 1kya n HIS 66 N 3.93 2.25 0.00 -1.98 -0.00 0.25 -2.73 115.22 116.94 1kya n HIS 66 Ca 0.08 -0.20 0.00 0.00 0.46 0.00 0.00 57.72 58.05 1kya n HIS 66 Cb 0.42 -2.74 0.00 0.00 -0.12 0.00 0.00 29.99 27.55 1kya n HIS 66 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1kya n GLY 67 N 5.06 2.18 3.73 1.57 0.00 -1.26 -3.60 105.19 112.87 1kya n GLY 67 Ca 0.25 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.18 3.26 0.28 1.61 0.08 -1.11 -4.91 117.98 116.02 1kya s PHE 68 Ca 0.00 1.10 0.17 0.00 0.12 0.00 0.00 56.93 58.32 1kya s PHE 68 Cb 0.00 -3.63 0.77 0.00 -0.57 0.00 0.00 43.02 39.59 1kya s PHE 68 CO 0.00 -2.07 1.80 0.74 -0.10 0.00 0.00 175.22 175.58 1kya h PHE 69 N 6.11 0.00 -3.16 0.36 0.04 -1.90 -3.40 116.94 114.99 1kya h PHE 69 Ca -0.43 0.00 -0.36 0.00 2.80 0.00 0.00 57.97 59.97 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 0.64 0.37 -0.46 1.04 -0.60 0.00 0.00 178.31 179.30 1kya n GLN 70 N -3.76 -1.84 -1.67 1.51 1.13 -1.26 -4.45 117.38 107.05 1kya n GLN 70 Ca -0.01 0.89 -0.45 0.00 -1.94 0.00 0.00 57.00 55.49 1kya n GLN 70 Cb 0.45 -5.52 -0.04 0.00 0.11 0.00 0.00 30.24 25.24 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 2.59 -0.15 -1.09 4.81 -1.26 0.10 118.16 120.24 1kya n LYS 71 Ca -0.21 0.95 0.00 0.00 -0.87 0.00 0.00 58.31 58.17 1kya n LYS 71 Cb 0.66 -2.85 0.00 0.00 0.02 0.00 0.00 35.03 32.86 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 4.41 1.37 2.59 3.14 0.00 -1.26 -4.87 105.19 110.57 1kya n GLY 72 Ca 0.21 0.00 -0.11 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 1.56 0.15 2.61 -2.24 0.12 -4.28 114.28 110.19 1kya n THR 73 Ca 0.00 -3.47 0.18 0.00 -2.27 0.00 0.00 64.05 58.49 1kya n THR 73 Cb 0.00 0.32 0.78 0.00 -2.10 0.00 0.00 70.33 69.33 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 2.65 0.00 0.75 3.42 -1.24 -1.86 -0.44 115.58 118.87 1kya h ASN 74 Ca 0.02 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.03 1kya h ASN 74 Cb 1.24 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.29 1kya h ASN 74 CO 0.48 0.00 0.00 -2.67 -1.29 0.00 0.00 177.43 173.95 1kya n TRP 75 N -3.86 0.67 -0.24 0.67 4.27 -1.26 -2.55 117.44 115.13 1kya n TRP 75 Ca 0.04 0.25 0.09 0.00 -3.89 0.00 0.00 57.50 54.00 1kya n TRP 75 Cb 0.44 -0.91 0.25 0.00 -1.36 0.00 0.00 31.31 29.72 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 -1.72 2.30 0.18 -1.67 0.00 -0.17 -4.52 120.51 114.91 1kya n ALA 76 Ca 0.03 -1.21 0.03 0.00 0.00 0.00 0.00 53.44 52.29 1kya n ALA 76 Cb 0.24 -0.72 0.40 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 3.41 0.05 0.00 0.00 3.58 -1.59 -3.44 116.42 118.43 1kya h ASP 77 Ca 0.00 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.44 1kya h ASP 77 Cb 0.88 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.92 1kya h ASP 77 CO 0.00 0.33 0.00 0.61 -2.88 0.00 0.00 179.24 177.30 1kya n GLY 78 N -0.68 3.10 3.48 -0.78 0.00 -1.25 -3.80 105.19 105.26 1kya n GLY 78 Ca -0.02 -0.92 -0.60 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 0.34 -1.82 1.61 -0.02 -1.26 -4.46 135.00 129.40 1kya n PRO 79 Ca 0.00 0.11 -0.42 0.00 -2.02 0.00 0.00 63.50 61.17 1kya n PRO 79 Cb 0.00 -1.74 -0.03 0.00 -0.02 0.00 0.00 33.50 31.71 1kya n PRO 79 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1kya s ALA 80 N 5.07 3.87 0.00 3.55 0.00 -1.00 -1.24 121.76 132.01 1kya s ALA 80 Ca 1.11 1.50 0.00 0.00 0.00 0.00 0.00 51.96 54.57 1kya s ALA 80 Cb -1.33 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 18.12 1kya s ALA 80 CO 0.67 -0.86 0.00 1.19 0.00 0.00 0.00 175.76 176.76 1kya n PHE 81 N 3.91 0.00 -0.02 0.00 3.72 0.15 -4.75 117.46 120.48 1kya n PHE 81 Ca 0.15 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.48 1kya n PHE 81 Cb 0.37 -0.92 -0.02 0.00 -0.94 0.00 0.00 39.48 37.96 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 -2.39 0.88 0.12 4.37 -0.00 -0.76 -1.99 119.36 119.60 1kya n ILE 82 Ca 0.00 0.08 0.01 0.00 -0.00 0.00 0.00 62.75 62.85 1kya n ILE 82 Cb 0.19 -1.72 0.01 0.00 -0.00 0.00 0.00 39.64 38.11 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 -3.59 1.02 -3.62 4.38 4.13 -0.38 -0.86 115.26 116.35 1kya n ASN 83 Ca -0.12 -1.01 0.01 0.00 1.68 0.00 0.00 54.58 55.14 1kya n ASN 83 Cb 0.41 0.19 -0.01 0.00 -1.54 0.00 0.00 39.78 38.84 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 -0.43 0.38 0.22 3.52 -2.07 -1.23 -4.53 119.66 115.52 1kya s GLN 84 Ca 0.03 -0.20 -0.02 0.00 -1.82 0.00 0.00 55.36 53.35 1kya s GLN 84 Cb 0.02 0.13 -0.04 0.00 -1.09 0.00 0.00 33.01 32.03 1kya s GLN 84 CO 0.05 -0.17 0.43 0.00 -1.32 0.00 0.00 175.29 174.27 1kya s PRO 86 N -3.35 1.17 0.44 0.00 0.02 -1.26 -4.81 135.00 127.20 1kya s PRO 86 Ca 0.40 1.62 -0.18 0.00 0.02 0.00 0.00 61.00 62.86 1kya s PRO 86 Cb -0.11 -1.74 -0.09 0.00 0.02 0.00 0.00 34.50 32.58 1kya s PRO 86 CO 0.29 -2.54 0.91 0.42 -0.33 0.00 0.00 177.00 175.75 1kya s ILE 87 N -2.50 4.51 0.10 2.83 1.01 0.97 -4.76 121.20 123.36 1kya s ILE 87 Ca 0.69 1.26 0.02 0.00 0.00 0.00 0.00 60.65 62.62 1kya s ILE 87 Cb -0.25 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.54 1kya s ILE 87 CO 0.56 -0.42 0.19 -0.44 0.00 0.00 0.00 174.94 174.82 1kya s SER 88 N -2.52 6.06 0.54 3.58 0.01 -1.26 -2.51 113.70 117.59 1kya s SER 88 Ca 0.59 0.14 -0.22 0.00 1.31 0.00 0.00 55.95 57.77 1kya s SER 88 Cb -0.10 -1.77 -0.05 0.00 0.21 0.00 0.00 66.02 64.31 1kya s SER 88 CO 0.20 0.13 1.34 -0.24 0.41 0.00 0.00 173.24 175.08 1kya n SER 89 N 0.07 2.62 0.00 2.44 2.88 -1.24 -1.56 113.62 118.83 1kya n SER 89 Ca -0.07 0.99 0.00 0.00 -1.33 0.00 0.00 58.87 58.46 1kya n SER 89 Cb 0.52 -1.56 0.00 0.00 -0.75 0.00 0.00 64.21 62.42 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 0.78 0.72 3.31 0.46 0.00 0.54 -5.01 105.19 105.99 1kya n GLY 90 Ca 0.10 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.86 1.52 0.09 1.61 4.02 -0.60 -5.02 115.29 114.05 1kya s HIS 91 Ca 0.00 -0.77 0.03 0.00 1.02 0.00 0.00 55.06 55.34 1kya s HIS 91 Cb 0.00 -0.81 -0.03 0.00 -1.02 0.00 0.00 32.58 30.71 1kya s HIS 91 CO 0.00 0.11 -0.10 -1.54 1.02 0.00 0.00 174.74 174.24 1kya s SER 92 N -3.27 1.35 0.00 1.40 1.04 -1.26 -1.46 113.70 111.50 1kya s SER 92 Ca 0.23 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 55.89 1kya s SER 92 Cb 0.03 0.02 -0.00 0.00 0.10 0.00 0.00 66.02 66.16 1kya s SER 92 CO 0.06 -0.26 -0.02 0.12 0.98 0.00 0.00 173.24 174.12 1kya s PHE 93 N -2.31 0.16 -0.30 5.02 5.36 -0.63 -4.99 117.98 120.30 1kya s PHE 93 Ca 0.03 -0.08 -0.12 0.00 -0.96 0.00 0.00 56.93 55.80 1kya s PHE 93 Cb -0.04 -0.11 -0.04 0.00 -0.34 0.00 0.00 43.02 42.50 1kya s PHE 93 CO -0.00 -0.02 0.25 -1.17 -1.46 0.00 0.00 175.22 172.82 1kya s LEU 94 N -0.19 4.17 -0.40 6.12 2.96 -1.26 -1.21 118.68 128.87 1kya s LEU 94 Ca -0.01 -0.06 -0.19 0.00 -0.22 0.00 0.00 54.13 53.64 1kya s LEU 94 Cb -0.02 -2.20 0.01 0.00 0.50 0.00 0.00 46.19 44.49 1kya s LEU 94 CO -0.00 -0.14 0.57 -0.31 -1.32 0.00 0.00 176.35 175.16 1kya s TYR 95 N 1.83 3.13 -0.27 5.38 1.51 -0.13 -4.97 117.35 123.83 1kya s TYR 95 Ca 0.09 0.03 0.01 0.00 -1.01 0.00 0.00 57.07 56.19 1kya s TYR 95 Cb -0.16 -3.13 0.08 0.00 -0.11 0.00 0.00 41.96 38.63 1kya s TYR 95 CO 0.11 -0.71 0.00 0.34 -1.11 0.00 0.00 175.55 174.18 1kya s ASP 96 N 1.87 3.99 0.14 2.29 2.15 -1.26 -0.75 116.67 125.11 1kya s ASP 96 Ca 0.20 -1.42 -0.09 0.00 0.43 0.00 0.00 52.55 51.68 1kya s ASP 96 Cb -0.15 -1.16 -0.01 0.00 -0.30 0.00 0.00 42.92 41.31 1kya s ASP 96 CO 0.16 -0.30 0.26 0.72 -0.17 0.00 0.00 175.17 175.83 1kya s PHE 97 N 1.38 0.33 0.12 -5.34 -0.12 -0.36 -5.00 117.98 109.01 1kya s PHE 97 Ca 0.01 -0.72 0.07 0.00 -0.05 0.00 0.00 56.93 56.24 1kya s PHE 97 Cb -0.18 -0.06 -0.04 0.00 -0.63 0.00 0.00 43.02 42.10 1kya s PHE 97 CO -0.11 -0.67 -0.05 -0.65 -0.05 0.00 0.00 175.22 173.69 1kya s GLN 98 N -3.94 2.28 -0.63 1.99 -0.21 -1.26 0.46 119.66 118.36 1kya s GLN 98 Ca 0.14 -1.01 0.06 0.00 0.02 0.00 0.00 55.36 54.57 1kya s GLN 98 Cb 0.04 -2.37 0.21 0.00 1.00 0.00 0.00 33.01 31.89 1kya s GLN 98 CO -0.03 0.50 0.58 0.28 -2.12 0.00 0.00 175.29 174.50 1kya n VAL 99 N 0.46 1.45 -3.68 1.09 0.31 -0.81 -4.83 118.33 112.32 1kya n VAL 99 Ca -0.12 -4.80 -0.22 0.00 -0.01 0.00 0.00 64.34 59.19 1kya n VAL 99 Cb 0.53 -2.08 -0.01 0.00 -0.91 0.00 0.00 33.84 31.36 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 -1.70 3.42 0.00 5.55 0.04 -1.26 0.23 135.00 141.28 1kya s PRO 100 Ca 0.32 -0.60 0.00 0.00 0.04 0.00 0.00 61.00 60.76 1kya s PRO 100 Cb 0.06 -2.79 0.00 0.00 0.04 0.00 0.00 34.50 31.81 1kya s PRO 100 CO -0.11 0.27 0.00 -0.40 0.04 0.00 0.00 177.00 176.81 1kya n ASP 101 N -1.59 -3.21 -4.08 6.66 5.75 -1.26 -4.89 116.55 113.92 1kya n ASP 101 Ca -0.06 0.00 -0.19 0.00 -0.01 0.00 0.00 54.79 54.53 1kya n ASP 101 Cb 0.57 -2.74 -0.14 0.00 -1.03 0.00 0.00 41.12 37.78 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 -1.38 0.82 -0.28 0.11 -0.21 -1.26 -5.14 119.66 112.32 1kya s GLN 102 Ca 0.00 -0.56 -0.20 0.00 0.02 0.00 0.00 55.36 54.62 1kya s GLN 102 Cb 0.00 -0.78 0.12 0.00 1.00 0.00 0.00 33.01 33.35 1kya s GLN 102 CO 0.00 0.20 0.94 0.00 -2.12 0.00 0.00 175.29 174.31 1kya s ALA 103 N -0.61 -2.06 0.00 6.09 0.00 -1.26 -4.55 121.76 119.37 1kya s ALA 103 Ca 0.01 2.10 0.00 0.00 0.00 0.00 0.00 51.96 54.07 1kya s ALA 103 Cb -0.06 -1.52 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 0.00 175.76 175.87 1kya n GLY 104 N 3.13 0.09 3.66 0.00 0.00 0.02 -4.74 105.19 107.35 1kya n GLY 104 Ca -0.16 -1.22 -0.35 0.00 0.00 0.00 0.00 46.02 44.30 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 -3.79 4.76 0.00 2.61 2.01 -1.26 -1.68 115.64 118.29 1kya s THR 105 Ca 0.00 -0.05 0.00 0.00 0.31 0.00 0.00 61.69 61.95 1kya s THR 105 Cb 0.00 -3.12 0.00 0.00 0.01 0.00 0.00 72.50 69.39 1kya s THR 105 CO 0.00 0.49 0.00 0.49 -0.69 0.00 0.00 174.62 174.91 1kya n PHE 106 N 3.24 0.00 -3.56 4.92 3.72 0.25 -4.08 117.46 121.93 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 -1.48 -0.30 0.16 1.38 1.48 -1.24 -1.39 118.94 117.55 1kya s TRP 107 Ca 0.00 0.12 0.09 0.00 -1.06 0.00 0.00 56.10 55.25 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 -0.63 -0.20 1.52 -4.06 0.00 0.00 176.95 173.58 1kya s TYR 108 N -3.19 1.90 -0.16 1.66 1.13 0.96 -0.58 117.35 119.07 1kya s TYR 108 Ca 0.07 -0.44 -0.30 0.00 -1.41 0.00 0.00 57.07 54.98 1kya s TYR 108 Cb -0.01 -0.97 0.13 0.00 -1.10 0.00 0.00 41.96 40.02 1kya s TYR 108 CO -0.06 0.34 1.05 -3.38 -2.51 0.00 0.00 175.55 170.98 1kya s HIS 109 N -1.80 -0.31 0.45 -3.49 -3.43 -0.97 -0.50 115.29 105.24 1kya s HIS 109 Ca 0.15 0.48 -0.24 0.00 -0.80 0.00 0.00 55.06 54.65 1kya s HIS 109 Cb -0.07 0.47 -0.09 0.00 -1.43 0.00 0.00 32.58 31.46 1kya s HIS 109 CO 0.07 -0.31 1.07 0.45 -2.00 0.00 0.00 174.74 174.01 1kya n SER 110 N 0.54 1.53 -1.97 7.38 2.88 -0.00 -1.71 113.62 122.26 1kya n SER 110 Ca -0.08 1.02 -0.15 0.00 -1.33 0.00 0.00 58.87 58.33 1kya n SER 110 Cb 0.58 -1.40 0.05 0.00 -0.75 0.00 0.00 64.21 62.70 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 -0.59 2.02 -4.05 0.66 -0.00 0.72 -4.29 115.22 109.68 1kya n HIS 111 Ca 0.09 -2.05 -0.32 0.00 0.46 0.00 0.00 57.72 55.90 1kya n HIS 111 Cb 0.40 -0.30 -0.15 0.00 -0.12 0.00 0.00 29.99 29.82 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 -3.46 3.51 0.00 0.27 2.96 -1.26 -2.36 118.68 118.33 1kya s LEU 112 Ca 0.44 -1.40 0.00 0.00 -0.22 0.00 0.00 54.13 52.95 1kya s LEU 112 Cb 0.39 -1.57 0.00 0.00 0.50 0.00 0.00 46.19 45.51 1kya s LEU 112 CO 0.00 -0.20 0.00 -0.24 -1.32 0.00 0.00 176.35 174.59 1kya n SER 113 N 4.45 0.00 -1.58 3.68 2.88 -1.26 -2.11 113.62 119.68 1kya n SER 113 Ca -0.14 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.49 1kya n SER 113 Cb 0.42 0.00 0.35 0.00 -0.75 0.00 0.00 64.21 64.23 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 1.87 -0.01 2.46 -2.24 -1.26 -4.61 114.28 110.49 1kya n THR 114 Ca 0.00 -1.14 0.22 0.00 -2.27 0.00 0.00 64.05 60.85 1kya n THR 114 Cb 0.00 0.03 0.71 0.00 -2.10 0.00 0.00 70.33 68.96 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 3.86 0.00 0.00 -0.78 4.15 -1.74 -0.69 115.11 119.90 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 1.48 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.17 1kya h GLN 115 CO 0.26 0.00 0.00 0.10 -1.93 0.00 0.00 178.83 177.26 1kya h TYR 116 N 0.00 0.00 -0.05 3.99 -0.00 -1.79 -2.00 116.97 117.12 1kya h TYR 116 Ca 0.27 0.00 -0.14 0.00 0.00 0.00 0.00 58.73 58.86 1kya h TYR 116 Cb 1.12 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.83 1kya h TYR 116 CO 0.00 0.00 -0.60 0.00 -0.00 0.00 0.00 178.16 177.56 1kya n ASP 118 N -3.86 0.00 0.00 0.00 8.00 -0.76 -4.83 116.55 115.10 1kya n ASP 118 Ca -0.02 -1.26 0.00 0.00 0.71 0.00 0.00 54.79 54.22 1kya n ASP 118 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.71 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 1.21 3.57 0.44 0.00 -1.00 -1.00 105.19 109.17 1kya n GLY 119 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 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 3.44 -0.19 0.99 2.96 -1.21 -4.45 118.68 120.22 1kya s LEU 120 Ca 0.00 -1.67 -0.28 0.00 -0.22 0.00 0.00 54.13 51.96 1kya s LEU 120 Cb 0.00 -2.58 0.09 0.00 0.50 0.00 0.00 46.19 44.20 1kya s LEU 120 CO 0.00 -1.99 0.81 0.00 -1.32 0.00 0.00 176.35 173.85 1kya s ARG 121 N 5.46 0.80 0.09 1.98 1.70 -1.26 -0.82 118.95 126.90 1kya s ARG 121 Ca 0.58 0.58 -0.26 0.00 -0.47 0.00 0.00 55.73 56.17 1kya s ARG 121 Cb -0.00 0.39 0.08 0.00 -0.57 0.00 0.00 34.95 34.85 1kya s ARG 121 CO 0.03 -0.17 0.72 0.20 -1.08 0.00 0.00 175.30 174.99 1kya s GLY 122 N -0.33 -0.56 0.33 3.88 0.00 0.34 0.15 107.32 111.14 1kya s GLY 122 Ca -0.03 0.74 -0.26 0.00 0.00 0.00 0.00 44.72 45.16 1kya s GLY 122 CO 0.02 0.27 1.00 2.56 0.00 0.00 0.00 173.10 176.95 1kya s PRO 123 N -3.39 4.49 -0.10 2.90 0.04 -1.26 -0.03 135.00 137.66 1kya s PRO 123 Ca 0.02 1.48 -0.01 0.00 0.04 0.00 0.00 61.00 62.53 1kya s PRO 123 Cb -0.01 -2.83 0.03 0.00 0.04 0.00 0.00 34.50 31.72 1kya s PRO 123 CO -0.11 0.16 -0.05 0.12 0.04 0.00 0.00 177.00 177.17 1kya s PHE 124 N -1.51 1.17 -0.08 0.56 2.19 -0.49 -1.24 117.98 118.58 1kya s PHE 124 Ca 0.51 -0.52 0.04 0.00 0.33 0.00 0.00 56.93 57.29 1kya s PHE 124 Cb -0.23 -1.06 0.00 0.00 -1.31 0.00 0.00 43.02 40.43 1kya s PHE 124 CO 0.29 -0.44 -0.18 0.08 1.83 0.00 0.00 175.22 176.79 1kya s VAL 125 N 1.79 1.61 -0.30 3.12 1.01 0.82 0.84 120.40 129.29 1kya s VAL 125 Ca 0.05 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.26 1kya s VAL 125 Cb -0.12 -1.41 0.06 0.00 0.00 0.00 0.00 36.38 34.91 1kya s VAL 125 CO -0.07 0.46 -0.02 -0.69 0.00 0.00 0.00 175.10 174.78 1kya s VAL 126 N 0.38 2.68 0.58 2.92 1.01 -0.68 -2.05 120.40 125.24 1kya s VAL 126 Ca -0.14 -1.59 -0.15 0.00 0.00 0.00 0.00 61.98 60.10 1kya s VAL 126 Cb -0.16 -2.61 -0.05 0.00 0.00 0.00 0.00 36.38 33.57 1kya s VAL 126 CO 0.06 -0.16 1.03 -0.31 0.00 0.00 0.00 175.10 175.71 1kya s TYR 127 N 1.17 3.24 -0.30 5.22 2.02 0.54 -0.80 117.35 128.43 1kya s TYR 127 Ca -0.04 1.46 -0.02 0.00 -0.37 0.00 0.00 57.07 58.10 1kya s TYR 127 Cb -0.20 -2.89 0.05 0.00 -0.40 0.00 0.00 41.96 38.52 1kya s TYR 127 CO -0.03 -0.80 0.01 0.34 -1.57 0.00 0.00 175.55 173.49 1kya s ASP 128 N -3.13 4.92 0.58 2.29 -1.08 -1.26 -0.37 116.67 118.62 1kya s ASP 128 Ca 0.60 -1.26 0.29 0.00 -0.52 0.00 0.00 52.55 51.66 1kya s ASP 128 Cb -0.13 -1.72 1.47 0.00 -1.46 0.00 0.00 42.92 41.07 1kya s ASP 128 CO 0.38 -0.27 1.89 -0.65 0.52 0.00 0.00 175.17 177.04 1kya h PRO 129 N 8.01 0.00 -1.21 4.34 0.11 -1.97 -1.78 132.00 139.51 1kya h PRO 129 Ca -0.21 0.00 -0.50 0.00 0.11 0.00 0.00 66.00 65.40 1kya h PRO 129 Cb 1.06 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.76 1kya h PRO 129 CO 0.54 0.00 -0.89 0.27 -0.21 0.00 0.00 178.00 177.70 1kya n ASN 130 N -3.76 3.65 -4.68 -2.05 6.94 -1.26 -5.08 115.26 109.02 1kya n ASN 130 Ca 0.09 -3.34 -0.46 0.00 -0.02 0.00 0.00 54.58 50.86 1kya n ASN 130 Cb 0.71 -0.46 -0.04 0.00 -2.36 0.00 0.00 39.78 37.62 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 3.37 -0.25 0.53 -0.08 -0.67 -4.89 116.55 114.15 1kya n ASP 131 Ca 0.29 1.04 0.07 0.00 -1.51 0.00 0.00 54.79 54.69 1kya n ASP 131 Cb 0.75 -1.44 0.32 0.00 2.34 0.00 0.00 41.12 43.09 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 7.10 0.80 -0.58 -0.67 0.11 -1.98 -1.82 132.00 134.96 1kya h PRO 132 Ca -0.46 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1kya h PRO 132 Cb 1.25 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1kya h PRO 132 CO 0.91 0.53 0.00 0.00 -0.21 0.00 0.00 178.00 179.24 1kya n ALA 133 N -2.43 2.84 -0.23 -0.75 0.00 -1.26 -4.43 120.51 114.25 1kya n ALA 133 Ca 0.14 -0.98 0.04 0.00 0.00 0.00 0.00 53.44 52.64 1kya n ALA 133 Cb 0.29 -1.01 0.30 0.00 0.00 0.00 0.00 19.45 19.02 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 1.59 0.00 0.00 0.00 -1.70 -1.44 119.26 121.30 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 0.97 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1kya h ALA 134 CO 0.14 0.30 0.00 -0.25 0.00 0.00 0.00 179.25 179.44 1kya n ASP 135 N -4.47 0.00 -0.21 0.00 8.00 -1.26 -2.94 116.55 115.66 1kya n ASP 135 Ca 0.11 0.41 0.13 0.00 0.71 0.00 0.00 54.79 56.15 1kya n ASP 135 Cb 0.17 -0.45 0.48 0.00 -0.02 0.00 0.00 41.12 41.30 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 -1.45 0.84 -3.74 0.64 4.77 -0.54 -4.95 117.00 112.57 1kya n LEU 136 Ca 0.04 -0.17 -0.10 0.00 -0.03 0.00 0.00 56.01 55.75 1kya n LEU 136 Cb 0.15 -0.14 -0.06 0.00 -2.33 0.00 0.00 43.42 41.05 1kya n LEU 136 CO 0.12 0.16 0.04 -0.72 -1.33 0.00 0.00 177.39 175.66 1kya s TYR 137 N -2.46 -0.04 -0.20 -1.77 -0.85 -1.15 -4.88 117.35 106.00 1kya s TYR 137 Ca 0.27 -0.32 0.08 0.00 -0.52 0.00 0.00 57.07 56.58 1kya s TYR 137 Cb 0.20 0.11 -0.18 0.00 0.38 0.00 0.00 41.96 42.47 1kya s TYR 137 CO 0.49 -0.63 -0.08 -0.25 -1.52 0.00 0.00 175.55 173.57 1kya n ASP 138 N -0.13 1.58 -4.23 -0.18 8.00 0.24 -4.97 116.55 116.85 1kya n ASP 138 Ca -0.16 -0.06 -0.30 0.00 0.71 0.00 0.00 54.79 54.98 1kya n ASP 138 Cb 0.63 0.25 -0.16 0.00 -0.02 0.00 0.00 41.12 41.82 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 -2.43 1.89 -0.42 2.53 1.01 -0.52 -5.00 120.40 117.46 1kya s VAL 139 Ca -0.20 -0.97 0.07 0.00 0.00 0.00 0.00 61.98 60.89 1kya s VAL 139 Cb 0.06 -1.61 0.18 0.00 0.00 0.00 0.00 36.38 35.02 1kya s VAL 139 CO 0.60 0.53 0.62 -0.62 0.00 0.00 0.00 175.10 176.22 1kya s ASP 140 N -0.05 -1.26 0.00 3.32 2.15 -1.26 -1.07 116.67 118.49 1kya s ASP 140 Ca -0.05 -0.97 0.00 0.00 0.43 0.00 0.00 52.55 51.95 1kya s ASP 140 Cb -0.14 1.82 0.00 0.00 -0.30 0.00 0.00 42.92 44.30 1kya s ASP 140 CO 0.04 -0.17 0.00 -0.46 -0.17 0.00 0.00 175.17 174.41 1kya n ASN 141 N 4.23 0.00 0.26 -0.34 0.23 -1.26 -5.02 115.26 113.37 1kya n ASN 141 Ca 0.12 0.00 0.11 0.00 -0.53 0.00 0.00 54.58 54.28 1kya n ASN 141 Cb 0.56 0.00 0.71 0.00 -2.08 0.00 0.00 39.78 38.96 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 -0.04 0.53 5.19 -2.01 -2.97 116.42 117.13 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 0.09 0.00 0.47 -3.12 0.00 0.00 179.24 176.68 1kya n ASP 143 N -4.02 1.63 -0.81 6.45 8.00 -1.26 -3.77 116.55 122.77 1kya n ASP 143 Ca -0.02 -1.56 0.07 0.00 0.71 0.00 0.00 54.79 53.98 1kya n ASP 143 Cb 0.17 -0.02 0.20 0.00 -0.02 0.00 0.00 41.12 41.45 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 0.28 1.22 -3.29 -3.53 -2.24 -1.12 -4.83 114.28 100.77 1kya n THR 144 Ca 0.18 -1.13 -0.38 0.00 -2.27 0.00 0.00 64.05 60.45 1kya n THR 144 Cb 0.37 0.38 -0.06 0.00 -2.10 0.00 0.00 70.33 68.91 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 -1.29 5.16 -0.20 2.28 1.01 -1.25 0.31 120.40 126.43 1kya s VAL 145 Ca 0.30 0.95 0.01 0.00 0.00 0.00 0.00 61.98 63.24 1kya s VAL 145 Cb 0.18 -3.82 0.04 0.00 0.00 0.00 0.00 36.38 32.77 1kya s VAL 145 CO 0.17 0.28 -0.13 -0.63 0.00 0.00 0.00 175.10 174.79 1kya s ILE 146 N 0.94 1.81 -0.07 2.22 1.01 0.11 -4.89 121.20 122.33 1kya s ILE 146 Ca 0.25 -1.05 -0.03 0.00 0.00 0.00 0.00 60.65 59.82 1kya s ILE 146 Cb -0.15 -1.81 -0.04 0.00 0.01 0.00 0.00 42.46 40.47 1kya s ILE 146 CO 0.10 0.25 0.06 0.42 0.00 0.00 0.00 174.94 175.77 1kya s THR 147 N 1.34 4.72 -0.14 2.92 -4.23 -1.26 -0.73 115.64 118.26 1kya s THR 147 Ca -0.00 -0.18 -0.00 0.00 -1.18 0.00 0.00 61.69 60.33 1kya s THR 147 Cb -0.16 -3.05 -0.01 0.00 1.34 0.00 0.00 72.50 70.62 1kya s THR 147 CO -0.09 0.54 -0.13 -0.76 -0.54 0.00 0.00 174.62 173.64 1kya s LEU 148 N -1.14 2.65 -0.02 4.79 1.43 -0.10 -0.78 118.68 125.51 1kya s LEU 148 Ca 0.16 -0.37 0.02 0.00 -1.03 0.00 0.00 54.13 52.91 1kya s LEU 148 Cb -0.12 -1.60 0.00 0.00 0.03 0.00 0.00 46.19 44.50 1kya s LEU 148 CO 0.06 0.13 -0.08 -0.69 0.23 0.00 0.00 176.35 176.00 1kya s VAL 149 N 0.54 0.65 -0.60 -1.59 1.01 0.56 -0.87 120.40 120.10 1kya s VAL 149 Ca -0.09 -0.31 -0.18 0.00 0.00 0.00 0.00 61.98 61.40 1kya s VAL 149 Cb -0.16 -0.57 0.11 0.00 0.00 0.00 0.00 36.38 35.77 1kya s VAL 149 CO 0.04 0.20 0.68 1.51 0.00 0.00 0.00 175.10 177.53 1kya s ASP 150 N 0.06 6.21 -0.15 3.32 -4.77 -1.26 0.50 116.67 120.58 1kya s ASP 150 Ca -0.01 -1.56 -0.17 0.00 -3.30 0.00 0.00 52.55 47.52 1kya s ASP 150 Cb -0.06 -2.28 -0.04 0.00 -1.09 0.00 0.00 42.92 39.44 1kya s ASP 150 CO -0.00 -1.05 0.43 0.86 0.70 0.00 0.00 175.17 176.11 1kya s TRP 151 N 2.41 3.45 0.07 2.11 -0.11 0.15 -4.80 118.94 122.22 1kya s TRP 151 Ca 0.11 0.76 0.04 0.00 1.22 0.00 0.00 56.10 58.23 1kya s TRP 151 Cb -0.24 -2.53 -0.04 0.00 -1.50 0.00 0.00 33.47 29.16 1kya s TRP 151 CO 0.05 0.11 0.03 0.71 -4.62 0.00 0.00 176.95 173.22 1kya s TYR 152 N 0.88 3.07 -0.12 5.86 1.51 -1.26 -1.58 117.35 125.72 1kya s TYR 152 Ca 0.23 0.03 0.15 0.00 -1.01 0.00 0.00 57.07 56.46 1kya s TYR 152 Cb -0.15 -1.59 -0.04 0.00 -0.11 0.00 0.00 41.96 40.07 1kya s TYR 152 CO 0.09 0.49 1.18 0.45 -1.11 0.00 0.00 175.55 176.65 1kya h HIS 153 N 3.56 0.00 -3.03 2.71 3.86 -1.98 -3.45 115.15 116.82 1kya h HIS 153 Ca -0.48 0.00 -0.66 0.00 -1.16 0.00 0.00 60.37 58.08 1kya h HIS 153 Cb 1.17 0.00 -0.12 0.00 1.06 0.00 0.00 27.41 29.52 1kya h HIS 153 CO 0.61 0.58 -0.55 0.08 0.86 0.00 0.00 177.93 179.52 1kya s VAL 154 N -2.92 4.95 0.79 2.45 1.01 -1.26 -4.94 120.40 120.48 1kya s VAL 154 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 61.98 61.85 1kya s VAL 154 Cb 0.08 -3.15 0.05 0.00 0.00 0.00 0.00 36.38 33.36 1kya s VAL 154 CO 0.78 0.57 1.03 0.00 0.00 0.00 0.00 175.10 177.48 1kya n ALA 155 N 2.42 -0.38 -0.10 5.51 0.00 -1.26 -4.70 120.51 122.01 1kya n ALA 155 Ca -0.19 -0.31 -0.06 0.00 0.00 0.00 0.00 53.44 52.89 1kya n ALA 155 Cb 0.54 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.84 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 -0.74 0.18 0.00 0.00 0.00 -1.92 -1.62 119.26 115.16 1kya h ALA 156 Ca -0.46 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1kya h ALA 156 Cb 1.31 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.42 1kya h ALA 156 CO 0.45 -0.49 0.00 1.63 0.00 0.00 0.00 179.25 180.84 1kya n LYS 157 N -5.31 0.27 -0.05 0.00 5.02 -1.26 -3.72 118.16 113.10 1kya n LYS 157 Ca 0.01 0.01 0.01 0.00 -2.02 0.00 0.00 58.31 56.32 1kya n LYS 157 Cb 0.22 -1.50 -0.16 0.00 -0.02 0.00 0.00 35.03 33.57 1kya n LYS 157 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1kya n LEU 158 N -1.36 0.00 0.00 -0.35 4.77 -0.88 -4.99 117.00 114.19 1kya n LEU 158 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1kya n LEU 158 Cb 0.27 0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1kya n LEU 158 CO 0.24 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 1kya n GLY 159 N 1.53 0.20 3.75 -0.72 0.00 -0.66 -4.95 105.19 104.33 1kya n GLY 159 Ca -0.18 -1.77 -0.33 0.00 0.00 0.00 0.00 46.02 43.74 1kya n GLY 159 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1kya s PRO 160 N 1.04 2.54 0.37 1.61 0.02 -1.26 -4.91 135.00 134.42 1kya s PRO 160 Ca 0.00 1.54 0.08 0.00 0.02 0.00 0.00 61.00 62.64 1kya s PRO 160 Cb 0.00 -1.91 0.73 0.00 0.02 0.00 0.00 34.50 33.35 1kya s PRO 160 CO 0.00 -1.48 1.90 0.00 -0.33 0.00 0.00 177.00 177.09 1kya h ALA 161 N -0.09 1.46 -2.85 -1.55 0.00 -1.96 -3.32 119.26 110.95 1kya h ALA 161 Ca -0.47 -0.21 -0.61 0.00 0.00 0.00 0.00 54.91 53.62 1kya h ALA 161 Cb 1.27 -0.10 -0.40 0.00 0.00 0.00 0.00 17.79 18.56 1kya h ALA 161 CO 0.52 0.38 -0.76 -0.06 0.00 0.00 0.00 179.25 179.33 1kya s PHE 162 N -4.75 1.99 0.29 0.00 0.08 -1.26 -4.84 117.98 109.49 1kya s PHE 162 Ca -0.06 -2.50 0.00 0.00 0.12 0.00 0.00 56.93 54.49 1kya s PHE 162 Cb 0.15 -1.77 0.68 0.00 -0.57 0.00 0.00 43.02 41.51 1kya s PHE 162 CO 0.74 -0.75 1.48 -2.30 -0.10 0.00 0.00 175.22 174.28 1kya n PRO 163 N 3.18 -0.08 -3.16 0.24 -0.02 -1.25 -4.88 135.00 129.03 1kya n PRO 163 Ca 0.15 1.43 -0.15 0.00 -2.02 0.00 0.00 63.50 62.91 1kya n PRO 163 Cb 0.37 -2.24 0.05 0.00 -0.02 0.00 0.00 33.50 31.66 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 -5.42 -2.85 0.00 2.45 7.94 -1.26 -4.92 117.00 112.94 1kya n LEU 164 Ca 0.21 -0.33 0.00 0.00 -1.11 0.00 0.00 56.01 54.78 1kya n LEU 164 Cb 0.69 -2.08 0.00 0.00 0.53 0.00 0.00 43.42 42.56 1kya n LEU 164 CO -0.08 0.40 0.00 0.61 -1.11 0.00 0.00 177.39 177.21 1kya n GLY 165 N -1.43 4.32 3.89 -3.96 0.00 -1.26 -4.12 105.19 102.63 1kya n GLY 165 Ca 0.00 -0.95 -0.30 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.36 3.68 0.15 4.61 0.00 -1.26 -4.91 121.76 123.68 1kya s ALA 166 Ca 0.00 -0.50 0.27 0.00 0.00 0.00 0.00 51.96 51.73 1kya s ALA 166 Cb 0.00 -2.25 1.10 0.00 0.00 0.00 0.00 23.12 21.97 1kya s ALA 166 CO 0.00 0.49 1.90 -0.44 0.00 0.00 0.00 175.76 177.71 1kya h ASP 167 N 2.37 0.00 -3.85 0.00 3.32 -1.66 -3.32 116.42 113.28 1kya h ASP 167 Ca -0.47 0.00 0.05 0.00 0.02 0.00 0.00 57.03 56.63 1kya h ASP 167 Cb 1.17 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.49 1kya h ASP 167 CO 0.69 0.15 0.45 0.00 -1.72 0.00 0.00 179.24 178.81 1kya s ALA 168 N -3.71 -1.92 -0.07 3.45 0.00 -0.89 -4.32 121.76 114.30 1kya s ALA 168 Ca 0.00 1.70 -0.16 0.00 0.00 0.00 0.00 51.96 53.50 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 0.60 -0.29 0.42 0.99 0.00 0.00 0.00 175.76 177.49 1kya s THR 169 N -0.50 5.13 -0.20 0.00 2.01 -1.26 -0.68 115.64 120.13 1kya s THR 169 Ca -0.01 0.85 -0.04 0.00 0.31 0.00 0.00 61.69 62.80 1kya s THR 169 Cb -0.02 -3.75 -0.02 0.00 0.01 0.00 0.00 72.50 68.72 1kya s THR 169 CO -0.01 0.45 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.60 1kya s LEU 170 N -0.17 3.12 -0.24 4.42 1.02 0.18 -4.14 118.68 122.87 1kya s LEU 170 Ca 0.24 -0.27 -0.04 0.00 0.02 0.00 0.00 54.13 54.08 1kya s LEU 170 Cb -0.16 -1.79 0.00 0.00 0.02 0.00 0.00 46.19 44.27 1kya s LEU 170 CO 0.11 0.04 -0.02 -0.63 0.02 0.00 0.00 176.35 175.87 1kya s ILE 171 N 1.12 3.42 -1.44 -0.59 1.01 0.12 -0.32 121.20 124.51 1kya s ILE 171 Ca 0.02 -0.64 -0.09 0.00 0.00 0.00 0.00 60.65 59.94 1kya s ILE 171 Cb -0.14 -2.64 0.05 0.00 0.01 0.00 0.00 42.46 39.73 1kya s ILE 171 CO 0.01 0.30 0.93 0.59 0.00 0.00 0.00 174.94 176.77 1kya n ASN 172 N 4.79 -3.95 0.00 3.58 4.13 0.04 -2.24 115.26 121.61 1kya n ASN 172 Ca -0.17 -0.76 0.00 0.00 1.68 0.00 0.00 54.58 55.33 1kya n ASN 172 Cb 0.49 -4.11 0.00 0.00 -1.54 0.00 0.00 39.78 34.63 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 -1.69 2.63 3.42 7.41 0.00 -1.26 -4.91 105.19 110.79 1kya n GLY 173 Ca -0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.24 1.53 0.00 1.61 1.02 -0.95 -4.61 119.74 118.10 1kya s LYS 174 Ca 0.00 -1.66 0.00 0.00 0.02 0.00 0.00 55.97 54.33 1kya s LYS 174 Cb 0.00 -1.55 0.00 0.00 -0.52 0.00 0.00 37.83 35.76 1kya s LYS 174 CO 0.00 0.29 0.00 0.41 -0.92 0.00 0.00 175.35 175.13 1kya n GLY 175 N -0.39 -1.57 3.22 -3.33 0.00 -1.11 0.12 105.19 102.13 1kya n GLY 175 Ca -0.07 -1.07 -0.19 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.77 0.97 0.25 1.61 0.52 -1.26 -4.05 118.95 115.22 1kya s ARG 176 Ca 0.00 -1.15 0.09 0.00 -0.52 0.00 0.00 55.73 54.14 1kya s ARG 176 Cb 0.00 -0.92 -0.04 0.00 0.52 0.00 0.00 34.95 34.51 1kya s ARG 176 CO 0.00 0.19 0.05 -1.54 0.02 0.00 0.00 175.30 174.02 1kya s SER 177 N -2.20 4.85 0.66 0.23 1.04 -1.26 -4.30 113.70 112.72 1kya s SER 177 Ca 0.06 -0.50 0.26 0.00 0.48 0.00 0.00 55.95 56.24 1kya s SER 177 Cb -0.07 -1.02 1.41 0.00 0.10 0.00 0.00 66.02 66.44 1kya s SER 177 CO 0.03 0.00 1.80 -0.65 0.98 0.00 0.00 173.24 175.40 1kya h PRO 178 N 1.89 0.00 -0.07 4.02 0.11 -1.93 0.83 132.00 136.85 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 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1kya h PRO 178 CO 0.60 0.00 0.00 0.45 -0.21 0.00 0.00 178.00 178.84 1kya n SER 179 N -2.86 2.74 -2.92 -2.05 2.88 -1.26 -4.55 113.62 105.60 1kya n SER 179 Ca -0.01 -1.84 -0.14 0.00 -1.33 0.00 0.00 58.87 55.55 1kya n SER 179 Cb 0.47 -0.03 0.00 0.00 -0.75 0.00 0.00 64.21 63.90 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 1.14 0.46 0.70 2.46 -1.04 0.28 -4.94 114.28 113.34 1kya n THR 180 Ca 0.12 -3.82 0.06 0.00 -2.04 0.00 0.00 64.05 58.37 1kya n THR 180 Cb 0.50 0.20 0.34 0.00 -1.82 0.00 0.00 70.33 69.55 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 0.10 0.21 0.13 12.58 -2.24 -1.22 -1.88 114.28 121.96 1kya n THR 181 Ca 0.17 0.05 0.08 0.00 -2.27 0.00 0.00 64.05 62.08 1kya n THR 181 Cb 0.74 -0.86 0.15 0.00 -2.10 0.00 0.00 70.33 68.26 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 0.58 -2.01 4.28 -2.24 -1.26 -4.85 114.28 107.70 1kya n THR 182 Ca 0.08 -0.79 -0.40 0.00 -2.27 0.00 0.00 64.05 60.67 1kya n THR 182 Cb 0.06 0.84 -0.01 0.00 -2.10 0.00 0.00 70.33 69.12 1kya n THR 182 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kya s ALA 183 N -1.11 3.47 0.31 6.98 0.00 -0.79 -4.93 121.76 125.69 1kya s ALA 183 Ca 0.26 1.35 -0.29 0.00 0.00 0.00 0.00 51.96 53.27 1kya s ALA 183 Cb 0.15 -3.52 -0.12 0.00 0.00 0.00 0.00 23.12 19.63 1kya s ALA 183 CO 0.21 -0.81 1.46 -0.25 0.00 0.00 0.00 175.76 176.36 1kya n ASP 184 N 0.55 3.34 -4.94 0.00 9.92 -1.26 -4.85 116.55 119.32 1kya n ASP 184 Ca 0.01 1.18 -0.21 0.00 -0.53 0.00 0.00 54.79 55.24 1kya n ASP 184 Cb 0.41 -1.54 -0.02 0.00 -0.64 0.00 0.00 41.12 39.33 1kya n ASP 184 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1kya s LEU 185 N -0.85 4.14 0.40 0.64 1.43 -1.26 -4.01 118.68 119.17 1kya s LEU 185 Ca 0.60 -0.05 -0.23 0.00 -1.03 0.00 0.00 54.13 53.41 1kya s LEU 185 Cb -0.54 -2.71 -0.09 0.00 0.03 0.00 0.00 46.19 42.88 1kya s LEU 185 CO 0.56 -0.12 1.01 -0.44 0.23 0.00 0.00 176.35 177.59 1kya s SER 186 N -3.97 6.87 -0.09 2.29 0.01 -1.26 -4.92 113.70 112.63 1kya s SER 186 Ca 0.35 1.92 0.03 0.00 1.31 0.00 0.00 55.95 59.56 1kya s SER 186 Cb -0.09 -2.57 0.01 0.00 0.21 0.00 0.00 66.02 63.58 1kya s SER 186 CO 0.28 -0.41 -0.19 -0.69 0.41 0.00 0.00 173.24 172.64 1kya s VAL 187 N -1.78 1.67 -0.24 3.43 1.01 -1.26 -1.08 120.40 122.14 1kya s VAL 187 Ca 0.58 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.75 1kya s VAL 187 Cb -0.18 -1.47 0.02 0.00 0.00 0.00 0.00 36.38 34.75 1kya s VAL 187 CO 0.23 0.47 -0.05 -0.63 0.00 0.00 0.00 175.10 175.13 1kya s ILE 188 N 0.51 3.06 0.13 2.22 1.01 0.21 -4.97 121.20 123.38 1kya s ILE 188 Ca -0.16 -0.87 -0.18 0.00 0.00 0.00 0.00 60.65 59.44 1kya s ILE 188 Cb -0.17 -2.52 -0.07 0.00 0.01 0.00 0.00 42.46 39.71 1kya s ILE 188 CO 0.06 0.25 0.60 -0.44 0.00 0.00 0.00 174.94 175.41 1kya s SER 189 N 1.37 6.98 0.02 3.58 0.01 -1.26 -1.16 113.70 123.24 1kya s SER 189 Ca 0.02 1.24 0.00 0.00 1.31 0.00 0.00 55.95 58.52 1kya s SER 189 Cb -0.16 -2.35 -0.02 0.00 0.21 0.00 0.00 66.02 63.70 1kya s SER 189 CO -0.04 0.16 -0.03 0.68 0.41 0.00 0.00 173.24 174.42 1kya s VAL 190 N -1.33 0.17 -0.07 3.43 -7.23 -1.08 -4.95 120.40 109.35 1kya s VAL 190 Ca 0.35 -0.82 0.02 0.00 -1.81 0.00 0.00 61.98 59.72 1kya s VAL 190 Cb -0.17 -0.29 -0.03 0.00 0.56 0.00 0.00 36.38 36.45 1kya s VAL 190 CO 0.20 -0.41 -0.10 0.42 -0.31 0.00 0.00 175.10 174.89 1kya s THR 191 N -1.26 3.39 0.19 5.32 -4.23 -1.26 -1.62 115.64 116.17 1kya s THR 191 Ca -0.13 -0.59 -0.31 0.00 -1.18 0.00 0.00 61.69 59.48 1kya s THR 191 Cb -0.09 -2.37 -0.16 0.00 1.34 0.00 0.00 72.50 71.22 1kya s THR 191 CO -0.01 0.59 0.98 -2.65 -0.54 0.00 0.00 174.62 172.99 1kya n PRO 192 N 2.39 0.83 -0.25 3.99 -0.02 -1.26 -1.67 135.00 139.00 1kya n PRO 192 Ca -0.18 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 1kya n PRO 192 Cb 0.53 -1.66 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 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 1.78 2.35 3.89 -1.23 0.00 0.21 -5.00 105.19 107.19 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 -0.01 3.63 -0.12 1.61 1.02 -0.67 -4.85 119.74 120.35 1kya s LYS 194 Ca 0.00 -0.04 -0.05 0.00 0.02 0.00 0.00 55.97 55.90 1kya s LYS 194 Cb 0.00 -2.96 -0.04 0.00 -0.52 0.00 0.00 37.83 34.31 1kya s LYS 194 CO 0.00 0.55 0.05 1.03 -0.92 0.00 0.00 175.35 176.06 1kya s ARG 195 N -2.21 3.35 -0.02 1.68 0.52 -1.26 -0.99 118.95 120.02 1kya s ARG 195 Ca 0.35 -0.32 0.06 0.00 -0.52 0.00 0.00 55.73 55.30 1kya s ARG 195 Cb -0.13 -3.00 -0.01 0.00 0.52 0.00 0.00 34.95 32.33 1kya s ARG 195 CO 0.21 0.62 -0.19 0.71 0.02 0.00 0.00 175.30 176.66 1kya s TYR 196 N -0.61 1.76 -0.69 -0.53 1.51 0.22 -0.59 117.35 118.41 1kya s TYR 196 Ca 0.11 -0.38 -0.18 0.00 -1.01 0.00 0.00 57.07 55.61 1kya s TYR 196 Cb -0.12 -1.14 0.13 0.00 -0.11 0.00 0.00 41.96 40.71 1kya s TYR 196 CO 0.02 -0.07 0.79 0.50 -1.11 0.00 0.00 175.55 175.68 1kya s ARG 197 N -0.33 3.23 -0.01 -0.62 3.52 -0.24 -1.16 118.95 123.35 1kya s ARG 197 Ca 0.04 -1.59 -0.26 0.00 -0.13 0.00 0.00 55.73 53.80 1kya s ARG 197 Cb -0.09 -4.40 -0.04 0.00 -1.56 0.00 0.00 34.95 28.86 1kya s ARG 197 CO 0.00 -1.54 0.80 -0.06 -0.81 0.00 0.00 175.30 173.69 1kya s PHE 198 N 2.26 3.66 -0.48 5.12 0.08 -0.13 -4.74 117.98 123.75 1kya s PHE 198 Ca 0.16 1.46 -0.10 0.00 0.12 0.00 0.00 56.93 58.57 1kya s PHE 198 Cb -0.19 -2.90 0.12 0.00 -0.57 0.00 0.00 43.02 39.49 1kya s PHE 198 CO 0.01 0.13 0.36 1.03 -0.10 0.00 0.00 175.22 176.65 1kya s ARG 199 N 0.55 2.55 -0.29 0.44 0.52 0.15 -1.28 118.95 121.57 1kya s ARG 199 Ca 0.42 -1.75 -0.24 0.00 -0.52 0.00 0.00 55.73 53.63 1kya s ARG 199 Cb -0.20 -3.97 0.00 0.00 0.52 0.00 0.00 34.95 31.30 1kya s ARG 199 CO 0.23 -1.21 0.84 -1.17 0.02 0.00 0.00 175.30 174.01 1kya s LEU 200 N 1.39 4.07 -0.07 2.53 2.96 0.21 0.08 118.68 129.85 1kya s LEU 200 Ca 0.05 0.79 0.03 0.00 -0.22 0.00 0.00 54.13 54.78 1kya s LEU 200 Cb -0.27 -3.16 0.01 0.00 0.50 0.00 0.00 46.19 43.27 1kya s LEU 200 CO -0.00 -0.63 -0.15 -0.69 -1.32 0.00 0.00 176.35 173.55 1kya s VAL 201 N 3.03 1.37 -0.30 1.68 1.01 0.10 -1.30 120.40 125.98 1kya s VAL 201 Ca 0.35 -0.62 -0.14 0.00 0.00 0.00 0.00 61.98 61.56 1kya s VAL 201 Cb -0.14 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 1kya s VAL 201 CO 0.12 0.40 0.33 -0.55 0.00 0.00 0.00 175.10 175.40 1kya s SER 202 N 0.51 6.17 -0.25 3.32 0.15 -0.74 -0.92 113.70 121.94 1kya s SER 202 Ca -0.14 0.01 0.13 0.00 0.70 0.00 0.00 55.95 56.65 1kya s SER 202 Cb -0.16 -2.18 0.69 0.00 -1.71 0.00 0.00 66.02 62.66 1kya s SER 202 CO 0.05 -0.22 1.65 0.18 1.20 0.00 0.00 173.24 176.10 1kya n LEU 203 N 5.29 5.19 -4.75 3.45 4.77 -0.05 -1.95 117.00 128.95 1kya n LEU 203 Ca -0.10 -3.12 -0.36 0.00 -0.03 0.00 0.00 56.01 52.40 1kya n LEU 203 Cb 0.50 -0.66 0.03 0.00 -2.33 0.00 0.00 43.42 40.97 1kya n LEU 203 CO 0.37 0.75 0.86 -0.55 -1.33 0.00 0.00 177.39 177.49 1kya s SER 204 N -1.35 5.24 0.00 -1.43 0.15 -1.22 -4.72 113.70 110.37 1kya s SER 204 Ca 0.50 2.43 0.24 0.00 0.70 0.00 0.00 55.95 59.82 1kya s SER 204 Cb 0.40 -2.60 0.21 0.00 -1.71 0.00 0.00 66.02 62.32 1kya s SER 204 CO 0.12 -1.56 1.25 0.00 1.20 0.00 0.00 173.24 174.24 1kya n ASP 206 N 0.51 -2.29 -4.64 0.00 -0.08 -1.26 -1.81 116.55 106.99 1kya n ASP 206 Ca 0.12 0.69 -0.47 0.00 -1.51 0.00 0.00 54.79 53.62 1kya n ASP 206 Cb 0.51 2.33 -0.04 0.00 2.34 0.00 0.00 41.12 46.26 1kya n ASP 206 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1kya n PRO 207 N -3.19 1.72 -3.96 -0.67 -0.02 -1.26 -4.63 135.00 122.98 1kya n PRO 207 Ca 0.00 0.61 -0.24 0.00 -2.02 0.00 0.00 63.50 61.86 1kya n PRO 207 Cb 0.00 -2.26 -0.03 0.00 -0.02 0.00 0.00 33.50 31.19 1kya n PRO 207 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1kya s ASN 208 N 0.40 6.28 0.01 2.55 4.22 -1.26 -4.05 114.94 123.08 1kya s ASN 208 Ca 0.74 0.11 0.07 0.00 -2.14 0.00 0.00 52.86 51.64 1kya s ASN 208 Cb -0.75 -1.86 -0.02 0.00 1.28 0.00 0.00 41.25 39.90 1kya s ASN 208 CO 0.47 -0.00 -0.22 -0.31 -2.04 0.00 0.00 177.10 175.00 1kya s TYR 209 N -1.85 1.93 -0.50 1.54 2.02 0.52 -2.28 117.35 118.73 1kya s TYR 209 Ca 0.34 -0.37 -0.17 0.00 -0.37 0.00 0.00 57.07 56.50 1kya s TYR 209 Cb -0.10 -1.21 0.08 0.00 -0.40 0.00 0.00 41.96 40.33 1kya s TYR 209 CO 0.28 0.02 0.49 0.99 -1.57 0.00 0.00 175.55 175.76 1kya s THR 210 N -0.62 5.11 -0.16 -0.71 2.01 -0.32 0.28 115.64 121.24 1kya s THR 210 Ca 0.08 -0.97 -0.12 0.00 0.31 0.00 0.00 61.69 61.00 1kya s THR 210 Cb -0.09 -4.22 -0.05 0.00 0.01 0.00 0.00 72.50 68.16 1kya s THR 210 CO 0.00 -0.71 0.23 0.12 -0.69 0.00 0.00 174.62 173.57 1kya s PHE 211 N 1.96 3.48 0.12 4.92 5.36 0.37 -1.92 117.98 132.27 1kya s PHE 211 Ca 0.07 0.53 -0.16 0.00 -0.96 0.00 0.00 56.93 56.41 1kya s PHE 211 Cb -0.24 -2.22 0.04 0.00 -0.34 0.00 0.00 43.02 40.26 1kya s PHE 211 CO 0.07 0.35 0.41 -1.54 -1.46 0.00 0.00 175.22 173.05 1kya s SER 212 N 0.12 -0.25 -0.13 6.13 1.04 -0.16 -0.37 113.70 120.07 1kya s SER 212 Ca 0.14 -0.30 -0.00 0.00 0.48 0.00 0.00 55.95 56.27 1kya s SER 212 Cb -0.12 0.48 0.03 0.00 0.10 0.00 0.00 66.02 66.50 1kya s SER 212 CO 0.03 -0.85 -0.07 -0.63 0.98 0.00 0.00 173.24 172.70 1kya s ILE 213 N -3.76 1.06 0.15 -1.02 1.01 -1.26 -0.38 121.20 116.99 1kya s ILE 213 Ca 0.03 -0.43 -0.34 0.00 0.00 0.00 0.00 60.65 59.91 1kya s ILE 213 Cb 0.02 -1.14 -0.15 0.00 0.01 0.00 0.00 42.46 41.19 1kya s ILE 213 CO -0.12 0.27 1.38 0.47 0.00 0.00 0.00 174.94 176.94 1kya n ASP 214 N 4.92 2.18 0.00 3.58 8.00 -0.75 -1.83 116.55 132.65 1kya n ASP 214 Ca -0.12 1.12 0.00 0.00 0.71 0.00 0.00 54.79 56.50 1kya n ASP 214 Cb 0.49 -1.30 0.00 0.00 -0.02 0.00 0.00 41.12 40.29 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 2.59 0.49 3.25 0.44 0.00 -1.26 -4.77 105.19 105.93 1kya n GLY 215 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.39 1.64 0.47 1.61 3.76 -0.76 -4.93 115.29 114.68 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 -0.91 0.03 0.00 1.11 0.00 0.00 32.58 32.81 1kya s HIS 216 CO 0.00 0.16 0.63 -0.80 -0.85 0.00 0.00 174.74 173.88 1kya s ASN 217 N -1.80 5.47 -0.09 1.40 0.01 -1.26 -4.62 114.94 114.05 1kya s ASN 217 Ca 0.04 -0.56 -0.04 0.00 -0.71 0.00 0.00 52.86 51.59 1kya s ASN 217 Cb -0.10 -0.36 0.05 0.00 0.41 0.00 0.00 41.25 41.25 1kya s ASN 217 CO 0.04 -0.94 0.19 -0.04 -1.51 0.00 0.00 177.10 174.84 1kya s MET 218 N -4.44 0.10 -0.46 -0.60 -1.94 0.14 -4.76 119.30 107.35 1kya s MET 218 Ca 0.57 0.53 -0.15 0.00 -1.71 0.00 0.00 55.69 54.93 1kya s MET 218 Cb -0.09 -0.18 0.07 0.00 2.01 0.00 0.00 34.83 36.64 1kya s MET 218 CO 0.35 -0.23 0.37 0.99 -0.01 0.00 0.00 175.02 176.48 1kya s THR 219 N 1.78 5.14 0.13 2.05 2.01 -0.90 0.11 115.64 125.97 1kya s THR 219 Ca -0.03 -1.04 -0.31 0.00 0.31 0.00 0.00 61.69 60.62 1kya s THR 219 Cb -0.12 -4.05 -0.08 0.00 0.01 0.00 0.00 72.50 68.26 1kya s THR 219 CO -0.07 -0.54 1.38 -0.63 -0.69 0.00 0.00 174.62 174.08 1kya s ILE 220 N 1.63 3.24 0.00 1.82 1.01 0.24 -0.35 121.20 128.80 1kya s ILE 220 Ca 0.04 0.92 0.00 0.00 0.00 0.00 0.00 60.65 61.61 1kya s ILE 220 Cb -0.23 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 38.65 1kya s ILE 220 CO 0.07 0.08 0.50 2.30 0.00 0.00 0.00 174.94 177.89 1kya n ILE 221 N 3.68 0.24 -3.63 2.92 -5.35 0.11 -2.25 119.36 115.08 1kya n ILE 221 Ca 0.11 -0.39 -0.11 0.00 -0.27 0.00 0.00 62.75 62.08 1kya n ILE 221 Cb 0.42 1.13 -0.07 0.00 -1.74 0.00 0.00 39.64 39.38 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 -0.24 0.77 -0.08 6.28 2.12 -1.17 -1.71 118.70 124.66 1kya s GLU 222 Ca 0.00 1.02 -0.01 0.00 0.36 0.00 0.00 54.97 56.34 1kya s GLU 222 Cb 0.00 0.32 0.03 0.00 0.26 0.00 0.00 34.13 34.73 1kya s GLU 222 CO 0.00 -0.11 -0.02 -0.08 -0.54 0.00 0.00 175.26 174.51 1kya s THR 223 N 0.72 0.57 -1.51 -1.70 -1.32 -0.56 -1.67 115.64 110.18 1kya s THR 223 Ca -0.03 -0.00 -0.07 0.00 -1.21 0.00 0.00 61.69 60.38 1kya s THR 223 Cb -0.05 -0.68 0.06 0.00 -1.51 0.00 0.00 72.50 70.31 1kya s THR 223 CO -0.05 0.29 0.59 0.47 -2.21 0.00 0.00 174.62 173.70 1kya n ASP 224 N 5.05 -1.64 0.00 8.08 9.92 -0.60 -0.84 116.55 136.51 1kya n ASP 224 Ca -0.09 -0.98 0.00 0.00 -0.53 0.00 0.00 54.79 53.18 1kya n ASP 224 Cb 0.50 -3.06 0.00 0.00 -0.64 0.00 0.00 41.12 37.92 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 -2.87 0.00 -4.65 -2.24 7.64 -1.26 -4.47 113.62 105.77 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 -0.12 -0.10 0.00 -1.01 0.00 0.00 64.21 63.60 1kya n SER 225 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1kya s ILE 226 N -3.64 5.21 0.19 0.44 1.09 -0.02 -4.64 121.20 119.83 1kya s ILE 226 Ca 0.00 0.13 -0.33 0.00 -1.10 0.00 0.00 60.65 59.35 1kya s ILE 226 Cb 0.00 -3.42 -0.13 0.00 -1.06 0.00 0.00 42.46 37.85 1kya s ILE 226 CO 0.00 0.37 1.64 0.59 -0.10 0.00 0.00 174.94 177.44 1kya n ASN 227 N 4.18 3.53 -4.35 3.58 3.02 -1.26 -1.50 115.26 122.46 1kya n ASN 227 Ca -0.15 1.08 -0.30 0.00 -0.03 0.00 0.00 54.58 55.17 1kya n ASN 227 Cb 0.52 -1.50 -0.15 0.00 -0.61 0.00 0.00 39.78 38.04 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 0.98 2.15 0.35 3.41 2.01 -0.69 -0.21 115.64 123.63 1kya s THR 228 Ca 0.76 -1.43 -0.29 0.00 0.31 0.00 0.00 61.69 61.05 1kya s THR 228 Cb -0.59 -1.84 -0.11 0.00 0.01 0.00 0.00 72.50 69.96 1kya s THR 228 CO 0.36 0.34 1.52 0.00 -0.69 0.00 0.00 174.62 176.15 1kya s ALA 229 N -0.83 3.63 0.11 7.40 0.00 0.34 -4.52 121.76 127.89 1kya s ALA 229 Ca 0.12 1.57 -0.35 0.00 0.00 0.00 0.00 51.96 53.29 1kya s ALA 229 Cb -0.10 -3.62 -0.15 0.00 0.00 0.00 0.00 23.12 19.25 1kya s ALA 229 CO 0.02 -1.02 1.46 -2.30 0.00 0.00 0.00 175.76 173.92 1kya n PRO 230 N 1.08 1.61 -3.76 0.00 -0.02 -1.26 -4.75 135.00 127.90 1kya n PRO 230 Ca 0.03 0.58 -0.25 0.00 -2.02 0.00 0.00 63.50 61.85 1kya n PRO 230 Cb 0.39 -2.28 -0.17 0.00 -0.02 0.00 0.00 33.50 31.41 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 0.79 0.80 -0.11 2.45 2.96 -0.95 -4.96 118.68 119.67 1kya s LEU 231 Ca 0.82 -0.34 -0.30 0.00 -0.22 0.00 0.00 54.13 54.10 1kya s LEU 231 Cb -0.83 -0.51 -0.01 0.00 0.50 0.00 0.00 46.19 45.34 1kya s LEU 231 CO 0.43 -0.23 1.04 -0.69 -1.32 0.00 0.00 176.35 175.59 1kya s VAL 232 N 1.93 4.69 0.13 1.68 1.01 -1.26 -0.59 120.40 127.99 1kya s VAL 232 Ca 0.03 1.97 0.06 0.00 0.00 0.00 0.00 61.98 64.04 1kya s VAL 232 Cb -0.14 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 31.94 1kya s VAL 232 CO -0.06 -0.01 -0.13 -0.69 0.00 0.00 0.00 175.10 174.20 1kya s VAL 233 N 2.13 1.33 -0.17 2.92 1.01 0.30 -4.96 120.40 122.96 1kya s VAL 233 Ca 0.49 -1.80 -0.07 0.00 0.00 0.00 0.00 61.98 60.60 1kya s VAL 233 Cb -0.19 -1.61 -0.22 0.00 0.00 0.00 0.00 36.38 34.35 1kya s VAL 233 CO 0.18 -0.48 0.18 -0.67 0.00 0.00 0.00 175.10 174.31 1kya n ASP 234 N 0.36 2.05 -3.65 3.32 2.03 0.50 -0.68 116.55 120.48 1kya n ASP 234 Ca -0.14 0.17 -0.11 0.00 0.52 0.00 0.00 54.79 55.23 1kya n ASP 234 Cb 0.58 -0.78 -0.05 0.00 -0.72 0.00 0.00 41.12 40.15 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 -6.93 -0.22 -0.07 1.67 1.04 -1.25 -4.64 113.70 103.29 1kya s SER 235 Ca -0.27 -0.26 0.02 0.00 0.48 0.00 0.00 55.95 55.92 1kya s SER 235 Cb 0.07 0.45 0.01 0.00 0.10 0.00 0.00 66.02 66.66 1kya s SER 235 CO 0.69 -0.80 -0.13 -0.63 0.98 0.00 0.00 173.24 173.35 1kya s ILE 236 N -3.48 1.23 -0.41 -1.02 1.01 0.50 -1.38 121.20 117.65 1kya s ILE 236 Ca 0.01 -0.53 -0.15 0.00 0.00 0.00 0.00 60.65 59.98 1kya s ILE 236 Cb 0.01 -1.12 0.02 0.00 0.01 0.00 0.00 42.46 41.39 1kya s ILE 236 CO -0.10 0.38 0.30 -1.58 0.00 0.00 0.00 174.94 173.94 1kya s GLN 237 N 0.68 2.96 -0.17 2.79 0.74 -1.26 0.14 119.66 125.54 1kya s GLN 237 Ca -0.14 -1.03 -0.02 0.00 0.05 0.00 0.00 55.36 54.21 1kya s GLN 237 Cb -0.16 -3.97 -0.01 0.00 1.10 0.00 0.00 33.01 29.97 1kya s GLN 237 CO 0.04 -0.75 -0.07 -1.50 -0.55 0.00 0.00 175.29 172.45 1kya s ILE 238 N 1.67 3.36 0.60 -2.34 2.07 0.14 -4.94 121.20 121.77 1kya s ILE 238 Ca 0.05 -0.53 -0.03 0.00 -1.41 0.00 0.00 60.65 58.73 1kya s ILE 238 Cb -0.19 -2.47 0.04 0.00 0.13 0.00 0.00 42.46 39.96 1kya s ILE 238 CO 0.10 0.48 0.87 -0.36 -1.91 0.00 0.00 174.94 174.11 1kya s PHE 239 N 0.82 2.96 0.08 3.50 0.40 -1.26 -0.35 117.98 124.13 1kya s PHE 239 Ca -0.02 0.25 -0.36 0.00 -0.60 0.00 0.00 56.93 56.20 1kya s PHE 239 Cb -0.15 -2.87 -0.15 0.00 0.51 0.00 0.00 43.02 40.36 1kya s PHE 239 CO 0.01 -1.01 1.48 0.00 0.70 0.00 0.00 175.22 176.40 1kya n ALA 240 N -2.56 0.02 -0.65 5.36 0.00 -1.26 -1.67 120.51 119.75 1kya n ALA 240 Ca 0.07 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.98 1kya n ALA 240 Cb 0.60 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.84 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 3.23 0.00 -1.68 0.00 0.00 -0.82 -4.89 120.51 116.34 1kya n ALA 241 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.33 1kya n ALA 241 Cb 0.23 -0.19 0.09 0.00 0.00 0.00 0.00 19.45 19.58 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 -0.16 1.99 0.03 0.00 -0.21 -0.67 -4.77 119.66 115.87 1kya s GLN 242 Ca 0.00 0.42 -0.07 0.00 0.02 0.00 0.00 55.36 55.72 1kya s GLN 242 Cb 0.00 -1.93 -0.00 0.00 1.00 0.00 0.00 33.01 32.08 1kya s GLN 242 CO 0.00 -1.64 0.14 1.03 -2.12 0.00 0.00 175.29 172.71 1kya s ARG 243 N -5.31 0.62 -0.19 2.91 3.00 -1.26 -1.79 118.95 116.93 1kya s ARG 243 Ca 0.61 -0.65 -0.15 0.00 0.00 0.00 0.00 55.73 55.55 1kya s ARG 243 Cb -0.13 0.25 0.05 0.00 0.00 0.00 0.00 34.95 35.12 1kya s ARG 243 CO 0.52 -0.16 0.48 0.71 0.00 0.00 0.00 175.30 176.86 1kya s TYR 244 N -2.41 -0.61 -0.15 -0.53 2.02 -0.42 -1.56 117.35 113.68 1kya s TYR 244 Ca -0.06 1.38 -0.06 0.00 -0.37 0.00 0.00 57.07 57.96 1kya s TYR 244 Cb -0.02 0.25 -0.04 0.00 -0.40 0.00 0.00 41.96 41.76 1kya s TYR 244 CO -0.03 -0.31 0.04 -1.12 -1.57 0.00 0.00 175.55 172.56 1kya s SER 245 N 0.74 5.50 0.01 2.29 0.01 -0.67 -0.62 113.70 120.95 1kya s SER 245 Ca -0.04 0.10 0.01 0.00 1.31 0.00 0.00 55.95 57.33 1kya s SER 245 Cb -0.05 -1.84 -0.01 0.00 0.21 0.00 0.00 66.02 64.33 1kya s SER 245 CO -0.05 0.24 -0.05 0.72 0.41 0.00 0.00 173.24 174.51 1kya s PHE 246 N -0.03 0.42 -0.13 2.43 -0.12 -0.41 -0.71 117.98 119.42 1kya s PHE 246 Ca 0.05 -0.21 -0.14 0.00 -0.05 0.00 0.00 56.93 56.58 1kya s PHE 246 Cb -0.12 -0.26 -0.05 0.00 -0.63 0.00 0.00 43.02 41.96 1kya s PHE 246 CO 0.01 -0.04 0.32 0.08 -0.05 0.00 0.00 175.22 175.54 1kya s VAL 247 N -0.52 5.27 -0.09 -2.49 1.01 0.53 -0.95 120.40 123.16 1kya s VAL 247 Ca -0.03 0.61 0.03 0.00 0.00 0.00 0.00 61.98 62.59 1kya s VAL 247 Cb -0.04 -3.65 0.01 0.00 0.00 0.00 0.00 36.38 32.69 1kya s VAL 247 CO -0.00 0.42 -0.20 -0.22 0.00 0.00 0.00 175.10 175.10 1kya s LEU 248 N 0.22 1.92 -0.26 3.92 0.20 -0.31 -2.11 118.68 122.27 1kya s LEU 248 Ca 0.18 -0.47 -0.11 0.00 0.69 0.00 0.00 54.13 54.42 1kya s LEU 248 Cb -0.14 -1.20 -0.05 0.00 -0.43 0.00 0.00 46.19 44.37 1kya s LEU 248 CO 0.06 0.11 0.20 -1.61 -0.29 0.00 0.00 176.35 174.81 1kya s GLU 249 N 0.51 4.01 -1.22 1.98 2.02 -1.26 -0.61 118.70 124.13 1kya s GLU 249 Ca -0.16 -0.26 -0.18 0.00 0.02 0.00 0.00 54.97 54.39 1kya s GLU 249 Cb -0.17 -3.60 -0.02 0.00 0.10 0.00 0.00 34.13 30.44 1kya s GLU 249 CO 0.06 -0.08 2.00 0.00 0.02 0.00 0.00 175.26 177.27 1kya n ALA 250 N 4.72 4.04 0.22 5.21 0.00 -0.16 -4.48 120.51 130.06 1kya n ALA 250 Ca -0.14 -3.62 0.06 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 16.49 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 8.06 2.41 -4.84 0.00 0.23 -1.26 -0.62 115.26 119.24 1kya n ASN 251 Ca 0.50 -1.71 -0.22 0.00 -0.53 0.00 0.00 54.58 52.62 1kya n ASN 251 Cb 0.42 -0.10 0.07 0.00 -2.08 0.00 0.00 39.78 38.09 1kya n ASN 251 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 1kya s GLN 252 N -1.00 2.12 0.38 -3.83 -1.52 -1.26 -5.01 119.66 109.54 1kya s GLN 252 Ca 0.19 -0.92 -0.28 0.00 -1.95 0.00 0.00 55.36 52.40 1kya s GLN 252 Cb 0.11 -2.40 -0.11 0.00 -0.22 0.00 0.00 33.01 30.39 1kya s GLN 252 CO 0.16 -1.08 1.46 0.00 -0.25 0.00 0.00 175.29 175.57 1kya n ALA 253 N -2.60 2.21 -1.67 6.09 0.00 -1.26 -4.85 120.51 118.43 1kya n ALA 253 Ca 0.11 0.34 -0.48 0.00 0.00 0.00 0.00 53.44 53.41 1kya n ALA 253 Cb 0.60 -2.40 -0.05 0.00 0.00 0.00 0.00 19.45 17.61 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 0.36 0.59 -3.89 0.00 0.31 -1.26 -4.84 118.33 109.60 1kya n VAL 254 Ca 0.02 -0.12 0.01 0.00 -0.01 0.00 0.00 64.34 64.24 1kya n VAL 254 Cb 0.39 -1.93 0.01 0.00 -0.91 0.00 0.00 33.84 31.40 1kya n VAL 254 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1kya n ASP 255 N 6.95 -0.86 -4.66 4.52 -0.08 -1.26 -4.86 116.55 116.30 1kya n ASP 255 Ca 0.23 -1.27 -0.35 0.00 -1.51 0.00 0.00 54.79 51.89 1kya n ASP 255 Cb 0.31 1.35 -0.09 0.00 2.34 0.00 0.00 41.12 45.03 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 -2.75 5.60 -0.01 1.67 0.01 -1.26 -2.15 114.94 116.04 1kya s ASN 256 Ca 0.18 0.12 0.06 0.00 -0.71 0.00 0.00 52.86 52.51 1kya s ASN 256 Cb -0.01 -1.89 -0.01 0.00 0.41 0.00 0.00 41.25 39.75 1kya s ASN 256 CO 0.01 0.23 -0.18 -0.31 -1.51 0.00 0.00 177.10 175.34 1kya s TYR 257 N 0.02 1.63 0.12 2.20 1.51 0.71 -4.48 117.35 119.06 1kya s TYR 257 Ca 0.05 -0.31 -0.31 0.00 -1.01 0.00 0.00 57.07 55.50 1kya s TYR 257 Cb -0.12 -1.05 -0.07 0.00 -0.11 0.00 0.00 41.96 40.61 1kya s TYR 257 CO 0.01 -0.03 1.25 -1.58 -1.11 0.00 0.00 175.55 174.09 1kya s TRP 258 N -0.42 3.38 -0.29 2.71 0.23 -1.26 -0.64 118.94 122.65 1kya s TRP 258 Ca 0.07 1.24 -0.08 0.00 -2.03 0.00 0.00 56.10 55.30 1kya s TRP 258 Cb -0.07 -3.50 -0.01 0.00 0.03 0.00 0.00 33.47 29.92 1kya s TRP 258 CO -0.01 -1.57 0.11 0.42 0.96 0.00 0.00 176.95 176.87 1kya s ILE 259 N 0.70 4.39 -0.11 2.03 1.01 -0.30 -1.80 121.20 127.13 1kya s ILE 259 Ca 0.58 -0.39 -0.03 0.00 0.00 0.00 0.00 60.65 60.81 1kya s ILE 259 Cb -0.33 -3.19 -0.03 0.00 0.01 0.00 0.00 42.46 38.92 1kya s ILE 259 CO 0.32 0.15 -0.00 -0.13 0.00 0.00 0.00 174.94 175.28 1kya s ARG 260 N 1.59 3.22 -0.42 2.79 0.52 0.49 -0.89 118.95 126.25 1kya s ARG 260 Ca 0.05 -0.43 0.03 0.00 -0.52 0.00 0.00 55.73 54.85 1kya s ARG 260 Cb -0.16 -2.85 0.15 0.00 0.52 0.00 0.00 34.95 32.61 1kya s ARG 260 CO 0.05 0.56 0.30 0.00 0.02 0.00 0.00 175.30 176.22 1kya s ALA 261 N -0.49 1.60 -0.28 2.13 0.00 -0.74 -0.99 121.76 122.99 1kya s ALA 261 Ca 0.08 -2.42 -0.23 0.00 0.00 0.00 0.00 51.96 49.40 1kya s ALA 261 Cb -0.12 -1.70 -0.01 0.00 0.00 0.00 0.00 23.12 21.29 1kya s ALA 261 CO 0.02 -2.04 0.74 1.21 0.00 0.00 0.00 175.76 175.69 1kya s ASN 262 N 0.29 6.66 0.55 0.00 2.47 -0.81 -4.74 114.94 119.36 1kya s ASN 262 Ca 0.25 0.74 -0.16 0.00 0.42 0.00 0.00 52.86 54.10 1kya s ASN 262 Cb -0.10 -2.39 -0.06 0.00 -1.45 0.00 0.00 41.25 37.25 1kya s ASN 262 CO -0.10 -0.51 1.02 -2.16 -3.72 0.00 0.00 177.10 171.63 1kya s PRO 263 N 2.77 3.64 0.52 0.43 0.04 -1.26 -1.17 135.00 139.98 1kya s PRO 263 Ca 0.30 1.09 0.31 0.00 0.04 0.00 0.00 61.00 62.74 1kya s PRO 263 Cb -0.15 -2.09 1.31 0.00 0.04 0.00 0.00 34.50 33.62 1kya s PRO 263 CO 0.10 -0.53 1.97 -2.95 0.04 0.00 0.00 177.00 175.63 1kya h ASN 264 N 0.72 0.00 -5.09 6.66 -1.07 -1.83 -3.45 115.58 111.52 1kya h ASN 264 Ca -0.47 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 55.89 1kya h ASN 264 Cb 1.20 0.00 -0.09 0.00 -2.07 0.00 0.00 38.32 37.36 1kya h ASN 264 CO 0.59 0.09 0.06 0.72 0.07 0.00 0.00 177.43 178.96 1kya s PHE 265 N -3.77 -0.09 0.00 4.14 -0.12 -1.26 -5.05 117.98 111.84 1kya s PHE 265 Ca 0.00 -0.27 0.00 0.00 -0.05 0.00 0.00 56.93 56.61 1kya s PHE 265 Cb 0.10 0.44 0.00 0.00 -0.63 0.00 0.00 43.02 42.93 1kya s PHE 265 CO 0.57 -0.99 0.00 0.41 -0.05 0.00 0.00 175.22 175.16 1kya n GLY 266 N -0.37 0.82 3.42 1.99 0.00 -1.26 -4.50 105.19 105.28 1kya n GLY 266 Ca -0.08 -1.49 -0.45 0.00 0.00 0.00 0.00 46.02 44.00 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 6.63 0.56 1.61 0.01 -1.25 -4.96 114.94 113.54 1kya s ASN 267 Ca 0.00 -2.15 -0.04 0.00 -0.71 0.00 0.00 52.86 49.95 1kya s ASN 267 Cb 0.00 -2.35 0.01 0.00 0.41 0.00 0.00 41.25 39.32 1kya s ASN 267 CO 0.00 -0.95 0.85 0.68 -1.51 0.00 0.00 177.10 176.16 1kya s VAL 268 N 2.10 3.68 0.00 1.60 -7.23 -1.26 -4.79 120.40 114.50 1kya s VAL 268 Ca 0.28 -0.13 0.00 0.00 -1.81 0.00 0.00 61.98 60.32 1kya s VAL 268 Cb -0.07 -3.44 0.00 0.00 0.56 0.00 0.00 36.38 33.43 1kya s VAL 268 CO -0.08 -0.42 0.00 0.61 -0.31 0.00 0.00 175.10 174.90 1kya n GLY 269 N -2.47 -2.18 0.29 2.32 0.00 -1.26 -4.80 105.19 97.09 1kya n GLY 269 Ca 0.04 -1.88 0.02 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.06 0.00 -1.70 1.61 3.72 -1.26 -4.55 117.46 115.22 1kya n PHE 270 Ca 0.00 -0.27 -0.44 0.00 -0.05 0.00 0.00 57.45 56.70 1kya n PHE 270 Cb 0.00 -0.07 -0.03 0.00 -0.94 0.00 0.00 39.48 38.44 1kya n PHE 270 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1kya n THR 271 N -0.37 0.15 -0.93 4.37 -1.04 -1.26 -0.78 114.28 114.43 1kya n THR 271 Ca 0.04 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1kya n THR 271 Cb 0.63 -1.76 0.00 0.00 -1.82 0.00 0.00 70.33 67.38 1kya n THR 271 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1kya n GLY 272 N 3.46 0.54 1.41 3.41 0.00 -1.26 -3.13 105.19 109.61 1kya n GLY 272 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.93 0.63 3.65 -0.02 0.00 0.04 -4.72 105.19 102.84 1kya n GLY 273 Ca 0.00 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 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 2.26 -1.20 -0.61 -4.36 -1.18 -3.42 121.20 110.69 1kya s ILE 274 Ca 0.00 0.09 -0.05 0.00 -0.26 0.00 0.00 60.65 60.43 1kya s ILE 274 Cb 0.00 -2.46 0.03 0.00 1.25 0.00 0.00 42.46 41.28 1kya s ILE 274 CO 0.00 -0.11 0.28 0.59 0.24 0.00 0.00 174.94 175.94 1kya n ASN 275 N -4.24 -4.03 -4.21 4.36 5.03 -1.26 -4.52 115.26 106.38 1kya n ASN 275 Ca 0.06 -0.11 -0.12 0.00 0.87 0.00 0.00 54.58 55.27 1kya n ASN 275 Cb 0.56 -3.36 -0.10 0.00 -1.02 0.00 0.00 39.78 35.85 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 -2.41 0.69 0.34 6.41 0.01 -1.22 -1.79 113.70 115.73 1kya s SER 276 Ca 0.21 -1.26 -0.09 0.00 1.31 0.00 0.00 55.95 56.12 1kya s SER 276 Cb -0.11 0.24 0.02 0.00 0.21 0.00 0.00 66.02 66.38 1kya s SER 276 CO 0.26 -0.70 0.58 0.00 0.41 0.00 0.00 173.24 173.79 1kya s ALA 277 N -3.91 0.07 -0.10 1.44 0.00 -0.07 -4.71 121.76 114.49 1kya s ALA 277 Ca 0.29 -1.14 0.03 0.00 0.00 0.00 0.00 51.96 51.14 1kya s ALA 277 Cb 0.07 0.98 0.01 0.00 0.00 0.00 0.00 23.12 24.18 1kya s ALA 277 CO 0.06 -0.87 -0.20 0.42 0.00 0.00 0.00 175.76 175.18 1kya s ILE 278 N -3.00 1.75 -0.35 0.00 1.01 -0.24 -1.15 121.20 119.22 1kya s ILE 278 Ca 0.24 -0.83 -0.14 0.00 0.00 0.00 0.00 60.65 59.93 1kya s ILE 278 Cb -0.02 -1.55 -0.01 0.00 0.01 0.00 0.00 42.46 40.89 1kya s ILE 278 CO 0.15 0.49 0.27 -0.22 0.00 0.00 0.00 174.94 175.64 1kya s LEU 279 N 0.58 4.61 -0.23 2.97 2.96 0.18 0.65 118.68 130.40 1kya s LEU 279 Ca -0.14 -0.47 0.02 0.00 -0.22 0.00 0.00 54.13 53.31 1kya s LEU 279 Cb -0.17 -2.18 0.04 0.00 0.50 0.00 0.00 46.19 44.39 1kya s LEU 279 CO 0.05 -0.29 -0.13 -0.60 -1.32 0.00 0.00 176.35 174.05 1kya s ARG 280 N 1.77 2.56 0.48 1.98 3.52 -0.31 -0.21 118.95 128.74 1kya s ARG 280 Ca 0.07 -1.13 -0.22 0.00 -0.13 0.00 0.00 55.73 54.31 1kya s ARG 280 Cb -0.18 -2.80 -0.07 0.00 -1.56 0.00 0.00 34.95 30.35 1kya s ARG 280 CO 0.11 -0.43 1.18 0.71 -0.81 0.00 0.00 175.30 176.06 1kya s TYR 281 N 1.19 2.79 0.28 5.12 1.51 -0.92 -2.65 117.35 124.68 1kya s TYR 281 Ca -0.03 1.52 -0.30 0.00 -1.01 0.00 0.00 57.07 57.25 1kya s TYR 281 Cb -0.17 -3.42 -0.11 0.00 -0.11 0.00 0.00 41.96 38.15 1kya s TYR 281 CO -0.08 -1.67 1.57 -0.51 -1.11 0.00 0.00 175.55 173.75 1kya s ASP 282 N -1.35 6.42 0.00 2.29 1.01 -0.64 -1.11 116.67 123.29 1kya s ASP 282 Ca 0.65 2.90 0.00 0.00 0.71 0.00 0.00 52.55 56.81 1kya s ASP 282 Cb -0.29 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.00 1kya s ASP 282 CO 0.35 -0.88 0.00 0.61 0.21 0.00 0.00 175.17 175.47 1kya n GLY 283 N 2.19 3.39 3.79 0.21 0.00 -1.26 -4.84 105.19 108.68 1kya n GLY 283 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.93 2.88 0.62 4.61 0.00 -0.26 -4.99 121.76 121.69 1kya s ALA 284 Ca 0.00 0.64 -0.15 0.00 0.00 0.00 0.00 51.96 52.45 1kya s ALA 284 Cb 0.00 -3.26 -0.02 0.00 0.00 0.00 0.00 23.12 19.83 1kya s ALA 284 CO 0.00 -0.34 1.08 0.00 0.00 0.00 0.00 175.76 176.50 1kya s ALA 285 N -1.92 2.63 -1.16 0.00 0.00 -1.26 -4.93 121.76 115.12 1kya s ALA 285 Ca 0.67 0.45 -0.19 0.00 0.00 0.00 0.00 51.96 52.89 1kya s ALA 285 Cb -0.18 -3.27 0.09 0.00 0.00 0.00 0.00 23.12 19.77 1kya s ALA 285 CO 0.21 -1.00 1.53 0.00 0.00 0.00 0.00 175.76 176.50 1kya s ALA 286 N -2.41 3.27 0.19 0.00 0.00 -1.26 -4.88 121.76 116.67 1kya s ALA 286 Ca 0.65 -2.79 -0.06 0.00 0.00 0.00 0.00 51.96 49.76 1kya s ALA 286 Cb -0.18 -4.45 -0.02 0.00 0.00 0.00 0.00 23.12 18.47 1kya s ALA 286 CO 0.39 -3.26 0.25 0.14 0.00 0.00 0.00 175.76 173.27 1kya s VAL 287 N 3.79 0.03 0.55 0.00 -7.23 -1.26 -5.15 120.40 111.13 1kya s VAL 287 Ca 0.47 -1.68 -0.17 0.00 -1.81 0.00 0.00 61.98 58.79 1kya s VAL 287 Cb 0.01 -2.19 -0.06 0.00 0.56 0.00 0.00 36.38 34.70 1kya s VAL 287 CO -0.01 -0.14 1.04 -1.61 -0.31 0.00 0.00 175.10 174.07 1kya s GLU 288 N -4.06 3.57 1.02 4.82 2.02 -1.26 -4.96 118.70 119.85 1kya s GLU 288 Ca 0.27 1.22 -0.15 0.00 0.02 0.00 0.00 54.97 56.32 1kya s GLU 288 Cb 0.04 -2.07 0.20 0.00 0.10 0.00 0.00 34.13 32.41 1kya s GLU 288 CO 0.07 -0.61 1.17 -2.14 0.02 0.00 0.00 175.26 173.77 1kya s PRO 289 N -3.80 0.21 0.00 0.39 0.02 -1.26 -4.98 135.00 125.57 1kya s PRO 289 Ca 0.64 0.03 0.00 0.00 0.02 0.00 0.00 61.00 61.69 1kya s PRO 289 Cb -0.15 -1.75 0.00 0.00 0.02 0.00 0.00 34.50 32.61 1kya s PRO 289 CO 0.31 -2.78 0.71 0.25 -0.33 0.00 0.00 177.00 175.15 1kya n THR 290 N -4.12 0.00 -2.31 0.99 -2.24 -1.26 -4.99 114.28 100.34 1kya n THR 290 Ca 0.10 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.54 1kya n THR 290 Cb 0.59 0.41 -0.01 0.00 -2.10 0.00 0.00 70.33 69.23 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 3.51 0.06 4.28 -4.23 -1.26 -5.03 115.64 112.97 1kya s THR 291 Ca 0.00 0.89 0.02 0.00 -1.18 0.00 0.00 61.69 61.42 1kya s THR 291 Cb 0.00 -3.35 -0.04 0.00 1.34 0.00 0.00 72.50 70.45 1kya s THR 291 CO 0.00 -0.25 0.10 0.42 -0.54 0.00 0.00 174.62 174.35 1kya s THR 292 N -1.99 4.70 0.20 3.99 -4.23 -1.26 -4.81 115.64 112.24 1kya s THR 292 Ca 0.69 -0.64 -0.30 0.00 -1.18 0.00 0.00 61.69 60.26 1kya s THR 292 Cb -0.19 -3.25 -0.08 0.00 1.34 0.00 0.00 72.50 70.32 1kya s THR 292 CO 0.26 0.17 1.00 -1.58 -0.54 0.00 0.00 174.62 173.93 1kya s GLN 293 N -2.29 4.73 0.34 3.99 0.74 -1.26 -4.76 119.66 121.16 1kya s GLN 293 Ca 0.29 1.57 0.08 0.00 0.05 0.00 0.00 55.36 57.35 1kya s GLN 293 Cb -0.12 -3.29 -0.05 0.00 1.10 0.00 0.00 33.01 30.65 1kya s GLN 293 CO 0.21 0.31 0.11 0.95 -0.55 0.00 0.00 175.29 176.33 1kya s THR 294 N -0.69 2.90 0.34 -0.34 -4.23 -1.26 -5.09 115.64 107.26 1kya s THR 294 Ca 0.45 -1.76 -0.29 0.00 -1.18 0.00 0.00 61.69 58.91 1kya s THR 294 Cb -0.27 -2.94 -0.11 0.00 1.34 0.00 0.00 72.50 70.53 1kya s THR 294 CO 0.33 -0.18 1.40 -0.89 -0.54 0.00 0.00 174.62 174.74 1kya s THR 295 N -2.45 2.43 -0.22 3.99 2.01 -1.26 -4.96 115.64 115.18 1kya s THR 295 Ca 0.37 0.43 -0.28 0.00 0.31 0.00 0.00 61.69 62.52 1kya s THR 295 Cb -0.02 -3.27 0.00 0.00 0.01 0.00 0.00 72.50 69.23 1kya s THR 295 CO 0.22 0.10 0.99 -0.55 -0.69 0.00 0.00 174.62 174.68 1kya s SER 296 N -0.25 7.05 0.00 3.53 0.15 -1.26 -4.90 113.70 118.02 1kya s SER 296 Ca 0.52 1.32 0.12 0.00 0.70 0.00 0.00 55.95 58.60 1kya s SER 296 Cb -0.43 -2.52 0.02 0.00 -1.71 0.00 0.00 66.02 61.39 1kya s SER 296 CO 0.56 -0.61 0.75 0.35 1.20 0.00 0.00 173.24 175.49 1kya n THR 297 N 5.22 0.00 -2.82 6.45 -2.24 -1.26 -4.64 114.28 115.00 1kya n THR 297 Ca 0.10 -0.41 -0.14 0.00 -2.27 0.00 0.00 64.05 61.33 1kya n THR 297 Cb 0.47 1.17 0.01 0.00 -2.10 0.00 0.00 70.33 69.88 1kya n THR 297 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kya n ALA 298 N 0.03 3.19 -1.73 6.98 0.00 -1.26 -5.01 120.51 122.71 1kya n ALA 298 Ca 0.06 -3.38 -0.40 0.00 0.00 0.00 0.00 53.44 49.71 1kya n ALA 298 Cb 0.27 -0.89 0.02 0.00 0.00 0.00 0.00 19.45 18.84 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 -0.00 2.04 -2.04 0.00 -0.02 -1.26 -0.37 135.00 133.35 1kya n PRO 299 Ca 0.17 0.73 -0.41 0.00 -2.02 0.00 0.00 63.50 61.97 1kya n PRO 299 Cb 0.74 -2.51 -0.02 0.00 -0.02 0.00 0.00 33.50 31.70 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 -2.27 4.40 -0.12 2.45 2.96 -0.48 -4.86 118.68 120.76 1kya s LEU 300 Ca 0.62 2.75 -0.02 0.00 -0.22 0.00 0.00 54.13 57.26 1kya s LEU 300 Cb -0.47 -3.65 0.04 0.00 0.50 0.00 0.00 46.19 42.61 1kya s LEU 300 CO 0.57 -0.64 0.01 0.21 -1.32 0.00 0.00 176.35 175.19 1kya s ASN 301 N -0.21 2.11 0.39 3.68 3.84 -1.26 -4.78 114.94 118.70 1kya s ASN 301 Ca 0.52 -0.38 0.22 0.00 0.21 0.00 0.00 52.86 53.44 1kya s ASN 301 Cb -0.41 -0.50 1.29 0.00 -0.55 0.00 0.00 41.25 41.07 1kya s ASN 301 CO 0.52 -0.24 1.63 -0.08 -2.79 0.00 0.00 177.10 176.15 1kya h GLU 302 N 8.30 0.15 -0.04 0.43 4.81 -1.94 1.04 114.58 127.33 1kya h GLU 302 Ca -0.19 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.05 1kya h GLU 302 Cb 1.12 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.47 1kya h GLU 302 CO 0.29 0.10 0.07 0.28 -0.73 0.00 0.00 179.01 179.02 1kya h VAL 303 N 0.15 0.32 -0.01 0.32 2.07 -1.95 0.04 116.25 117.20 1kya h VAL 303 Ca 0.79 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.31 1kya h VAL 303 Cb 2.16 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.88 1kya h VAL 303 CO -0.56 0.00 -0.11 0.59 0.02 0.00 0.00 177.57 177.52 1kya n ASN 304 N -3.54 1.03 -4.73 0.57 3.02 0.36 -4.86 115.26 107.10 1kya n ASN 304 Ca -0.02 -1.08 -0.39 0.00 -0.03 0.00 0.00 54.58 53.06 1kya n ASN 304 Cb 0.15 0.03 -0.05 0.00 -0.61 0.00 0.00 39.78 39.30 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 -2.26 4.33 0.03 3.41 1.43 -0.00 -5.00 118.68 120.62 1kya s LEU 305 Ca 0.33 1.06 0.02 0.00 -1.03 0.00 0.00 54.13 54.50 1kya s LEU 305 Cb 0.20 -2.91 -0.02 0.00 0.03 0.00 0.00 46.19 43.49 1kya s LEU 305 CO 0.43 -0.02 -0.06 -1.00 0.23 0.00 0.00 176.35 175.93 1kya s HIS 306 N 0.46 0.53 0.50 0.29 3.76 -1.26 -3.25 115.29 116.33 1kya s HIS 306 Ca 0.32 -0.38 -0.23 0.00 -0.15 0.00 0.00 55.06 54.62 1kya s HIS 306 Cb -0.17 -0.33 -0.07 0.00 1.11 0.00 0.00 32.58 33.12 1kya s HIS 306 CO 0.15 -0.07 1.32 -2.30 -0.85 0.00 0.00 174.74 172.99 1kya n PRO 307 N 1.92 1.79 -0.17 8.40 -0.02 -1.26 -0.51 135.00 145.16 1kya n PRO 307 Ca -0.20 0.65 -0.09 0.00 -2.02 0.00 0.00 63.50 61.84 1kya n PRO 307 Cb 0.56 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 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 1.67 0.79 -9.53 2.45 5.85 -0.83 -3.37 115.31 112.36 1kya h LEU 308 Ca -0.50 -0.28 -0.67 0.00 0.84 0.00 0.00 57.88 57.28 1kya h LEU 308 Cb 1.30 -0.21 -0.09 0.00 0.37 0.00 0.00 40.66 42.03 1kya h LEU 308 CO 0.58 0.87 -0.51 -0.69 -0.34 0.00 0.00 178.44 178.35 1kya s VAL 309 N -5.13 5.23 -0.02 1.05 1.01 -1.26 -4.82 120.40 116.47 1kya s VAL 309 Ca -0.13 0.11 -0.34 0.00 0.00 0.00 0.00 61.98 61.62 1kya s VAL 309 Cb 0.11 -3.28 -0.13 0.00 0.00 0.00 0.00 36.38 33.09 1kya s VAL 309 CO 0.81 0.60 1.78 0.00 0.00 0.00 0.00 175.10 178.29 1kya n ALA 310 N 2.15 0.96 -3.75 5.51 0.00 -1.26 -4.95 120.51 119.17 1kya n ALA 310 Ca -0.19 0.34 -0.27 0.00 0.00 0.00 0.00 53.44 53.32 1kya n ALA 310 Cb 0.54 -2.44 -0.17 0.00 0.00 0.00 0.00 19.45 17.39 1kya n ALA 310 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1kya s THR 311 N 3.08 0.52 0.30 0.00 2.01 -1.26 -5.12 115.64 115.16 1kya s THR 311 Ca 0.89 -0.39 -0.29 0.00 0.31 0.00 0.00 61.69 62.20 1kya s THR 311 Cb -0.70 -0.92 -0.11 0.00 0.01 0.00 0.00 72.50 70.78 1kya s THR 311 CO 0.48 -0.08 1.46 0.00 -0.69 0.00 0.00 174.62 175.80 1kya s ALA 312 N 1.88 3.63 -0.04 7.40 0.00 -1.26 -4.91 121.76 128.45 1kya s ALA 312 Ca 0.01 1.42 -0.30 0.00 0.00 0.00 0.00 51.96 53.09 1kya s ALA 312 Cb -0.16 -3.58 -0.03 0.00 0.00 0.00 0.00 23.12 19.36 1kya s ALA 312 CO -0.07 -0.84 1.12 0.08 0.00 0.00 0.00 175.76 176.04 1kya s VAL 313 N -0.39 4.45 0.52 0.00 1.01 -1.26 -4.98 120.40 119.75 1kya s VAL 313 Ca 0.57 1.76 -0.22 0.00 0.00 0.00 0.00 61.98 64.09 1kya s VAL 313 Cb -0.44 -4.13 -0.06 0.00 0.00 0.00 0.00 36.38 31.75 1kya s VAL 313 CO 0.50 0.05 1.19 -0.81 0.00 0.00 0.00 175.10 176.03 1kya n PRO 314 N 4.72 1.48 0.00 2.72 -0.04 -1.26 -4.71 135.00 137.90 1kya n PRO 314 Ca 0.09 0.54 0.00 0.00 -0.04 0.00 0.00 63.50 64.09 1kya n PRO 314 Cb 0.48 -2.36 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 1kya n PRO 314 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1kya n GLY 315 N 0.96 -0.69 3.43 0.55 0.00 -1.26 -4.93 105.19 103.24 1kya n GLY 315 Ca 0.10 -1.43 -0.30 0.00 0.00 0.00 0.00 46.02 44.40 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 3.59 -0.13 1.61 0.01 0.16 -5.02 113.70 109.91 1kya s SER 316 Ca 0.00 -0.58 -0.02 0.00 1.31 0.00 0.00 55.95 56.66 1kya s SER 316 Cb 0.00 -0.43 -0.04 0.00 0.21 0.00 0.00 66.02 65.76 1kya s SER 316 CO 0.00 0.21 1.26 -0.81 0.41 0.00 0.00 173.24 174.31 1kya n PRO 317 N 1.20 0.56 -3.70 12.44 -0.04 -1.26 -4.36 135.00 139.84 1kya n PRO 317 Ca -0.17 -0.46 -0.14 0.00 -0.04 0.00 0.00 63.50 62.70 1kya n PRO 317 Cb 0.52 -1.82 -0.08 0.00 -0.04 0.00 0.00 33.50 32.09 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 3.27 0.05 0.23 0.52 1.01 -1.26 -5.03 120.40 119.19 1kya s VAL 318 Ca 0.14 -0.39 -0.32 0.00 0.00 0.00 0.00 61.98 61.42 1kya s VAL 318 Cb 0.06 -0.75 -0.12 0.00 0.00 0.00 0.00 36.38 35.57 1kya s VAL 318 CO -0.00 -0.21 1.63 0.00 0.00 0.00 0.00 175.10 176.51 1kya n ALA 319 N 1.08 2.33 -0.34 5.51 0.00 -1.26 -0.76 120.51 127.07 1kya n ALA 319 Ca -0.21 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1kya n ALA 319 Cb 0.57 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.57 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 3.09 1.29 3.03 0.00 0.00 -1.26 -4.84 105.19 106.49 1kya n GLY 320 Ca 0.13 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.96 1kya n GLY 320 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kya n GLY 321 N -2.00 1.85 3.39 -0.02 0.00 0.06 -4.67 105.19 103.80 1kya n GLY 321 Ca 0.00 -0.52 -0.10 0.00 0.00 0.00 0.00 46.02 45.40 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 5.06 0.04 0.01 1.61 0.11 -1.26 0.36 120.40 126.33 1kya s VAL 322 Ca 0.29 -1.42 -0.25 0.00 -2.93 0.00 0.00 61.98 57.68 1kya s VAL 322 Cb 0.07 -1.97 -0.19 0.00 -1.53 0.00 0.00 36.38 32.77 1kya s VAL 322 CO 0.08 -0.20 1.42 0.44 -3.33 0.00 0.00 175.10 173.51 1kya h ASP 323 N 2.47 -0.00 -3.26 3.54 3.32 -1.69 -3.43 116.42 117.36 1kya h ASP 323 Ca -0.31 -0.33 -0.47 0.00 0.02 0.00 0.00 57.03 55.94 1kya h ASP 323 Cb 1.24 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 40.42 1kya h ASP 323 CO 0.45 0.33 -0.78 -0.22 -1.72 0.00 0.00 179.24 177.30 1kya s LEU 324 N -9.54 0.96 -0.09 1.55 0.20 -0.92 -5.01 118.68 105.83 1kya s LEU 324 Ca -0.15 -0.18 0.03 0.00 0.69 0.00 0.00 54.13 54.52 1kya s LEU 324 Cb 0.03 -0.62 -0.01 0.00 -0.43 0.00 0.00 46.19 45.16 1kya s LEU 324 CO 0.67 -0.14 -0.18 0.00 -0.29 0.00 0.00 176.35 176.41 1kya s ALA 325 N 1.68 2.43 -0.02 5.97 0.00 -1.26 -2.02 121.76 128.54 1kya s ALA 325 Ca 0.02 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 51.04 1kya s ALA 325 Cb -0.13 -0.95 0.00 0.00 0.00 0.00 0.00 23.12 22.05 1kya s ALA 325 CO -0.05 0.37 -0.08 0.42 0.00 0.00 0.00 175.76 176.41 1kya s ILE 326 N -0.02 0.69 -0.13 0.00 1.01 -0.07 -4.98 121.20 117.70 1kya s ILE 326 Ca -0.06 -0.32 -0.03 0.00 0.00 0.00 0.00 60.65 60.25 1kya s ILE 326 Cb -0.15 -0.61 -0.03 0.00 0.01 0.00 0.00 42.46 41.68 1kya s ILE 326 CO 0.05 0.22 -0.04 0.21 0.00 0.00 0.00 174.94 175.37 1kya s ASN 327 N 0.14 4.79 -0.50 3.58 3.84 -1.26 -1.63 114.94 123.89 1kya s ASN 327 Ca -0.02 -0.09 -0.13 0.00 0.21 0.00 0.00 52.86 52.83 1kya s ASN 327 Cb -0.07 -1.63 0.11 0.00 -0.55 0.00 0.00 41.25 39.11 1kya s ASN 327 CO 0.00 0.23 0.41 -0.04 -2.79 0.00 0.00 177.10 174.91 1kya s MET 328 N 0.02 2.78 -0.50 0.43 -1.94 0.22 -4.92 119.30 115.38 1kya s MET 328 Ca 0.00 -1.65 -0.18 0.00 -1.71 0.00 0.00 55.69 52.16 1kya s MET 328 Cb -0.13 -4.10 0.07 0.00 2.01 0.00 0.00 34.83 32.67 1kya s MET 328 CO 0.03 -1.21 0.54 0.00 -0.01 0.00 0.00 175.02 174.38 1kya s ALA 329 N 1.51 3.46 0.45 3.03 0.00 -1.26 -4.04 121.76 124.92 1kya s ALA 329 Ca 0.04 -1.95 -0.25 0.00 0.00 0.00 0.00 51.96 49.80 1kya s ALA 329 Cb -0.27 -3.26 -0.08 0.00 0.00 0.00 0.00 23.12 19.50 1kya s ALA 329 CO 0.02 -1.94 1.32 1.19 0.00 0.00 0.00 175.76 176.35 1kya n PHE 330 N 5.80 2.27 -3.58 0.00 3.72 -1.26 -2.31 117.46 122.11 1kya n PHE 330 Ca -0.09 0.47 -0.11 0.00 -0.05 0.00 0.00 57.45 57.67 1kya n PHE 330 Cb 0.44 -2.39 -0.03 0.00 -0.94 0.00 0.00 39.48 36.56 1kya n PHE 330 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1kya s ASN 331 N -0.59 -0.39 -0.17 4.37 3.04 -0.25 -4.65 114.94 116.30 1kya s ASN 331 Ca 0.63 -0.23 -0.13 0.00 0.04 0.00 0.00 52.86 53.17 1kya s ASN 331 Cb -0.47 0.57 0.05 0.00 -1.54 0.00 0.00 41.25 39.86 1kya s ASN 331 CO 0.56 -0.98 0.44 0.12 -3.04 0.00 0.00 177.10 174.20 1kya s PHE 332 N -3.80 -0.55 -0.09 0.43 5.36 -0.81 0.26 117.98 118.77 1kya s PHE 332 Ca 0.04 1.26 0.13 0.00 -0.96 0.00 0.00 56.93 57.40 1kya s PHE 332 Cb -0.01 0.22 0.23 0.00 -0.34 0.00 0.00 43.02 43.12 1kya s PHE 332 CO -0.09 -0.29 1.11 0.27 -1.46 0.00 0.00 175.22 174.77 1kya n ASN 333 N 3.44 1.55 0.00 6.13 0.23 -1.06 -4.92 115.26 120.63 1kya n ASN 333 Ca -0.17 -2.80 0.00 0.00 -0.53 0.00 0.00 54.58 51.07 1kya n ASN 333 Cb 0.56 -0.37 0.00 0.00 -2.08 0.00 0.00 39.78 37.90 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 -0.90 2.17 0.03 4.83 0.00 -1.26 -4.75 105.19 105.30 1kya n GLY 334 Ca 0.11 -0.61 0.07 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.89 2.61 -2.24 -1.26 -5.01 114.28 104.49 1kya n THR 335 Ca 0.00 -0.19 -0.11 0.00 -2.27 0.00 0.00 64.05 61.48 1kya n THR 335 Cb 0.00 1.01 -0.12 0.00 -2.10 0.00 0.00 70.33 69.13 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 -2.26 0.05 0.19 3.42 0.01 -1.26 -4.83 114.94 110.25 1kya s ASN 336 Ca 0.06 -0.14 0.00 0.00 -0.71 0.00 0.00 52.86 52.07 1kya s ASN 336 Cb 0.11 0.15 -0.04 0.00 0.41 0.00 0.00 41.25 41.87 1kya s ASN 336 CO 0.55 -0.20 0.36 -0.36 -1.51 0.00 0.00 177.10 175.94 1kya s PHE 337 N -0.78 3.48 0.03 2.20 0.08 0.11 -2.58 117.98 120.53 1kya s PHE 337 Ca -0.09 0.28 0.02 0.00 0.12 0.00 0.00 56.93 57.26 1kya s PHE 337 Cb -0.05 -1.80 -0.02 0.00 -0.57 0.00 0.00 43.02 40.58 1kya s PHE 337 CO 0.00 0.42 -0.06 -0.06 -0.10 0.00 0.00 175.22 175.41 1kya s PHE 338 N -1.84 0.56 -0.16 0.36 0.08 0.14 -4.18 117.98 112.94 1kya s PHE 338 Ca 0.37 -0.41 -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 -0.08 0.04 0.42 -0.10 0.00 0.00 175.22 175.79 1kya s ILE 339 N -1.11 0.36 -1.26 0.64 1.01 0.14 -1.09 121.20 119.89 1kya s ILE 339 Ca -0.08 -0.32 -0.03 0.00 0.00 0.00 0.00 60.65 60.22 1kya s ILE 339 Cb -0.08 -0.82 0.01 0.00 0.01 0.00 0.00 42.46 41.57 1kya s ILE 339 CO 0.00 -0.12 1.00 0.59 0.00 0.00 0.00 174.94 176.41 1kya n ASN 340 N 5.12 -2.96 -0.06 3.58 5.03 -0.98 -2.12 115.26 122.87 1kya n ASN 340 Ca -0.08 -0.64 -0.01 0.00 0.87 0.00 0.00 54.58 54.72 1kya n ASN 340 Cb 0.48 -4.91 -0.00 0.00 -1.02 0.00 0.00 39.78 34.33 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 -1.41 0.32 3.20 7.41 0.00 -1.26 -5.00 105.19 108.45 1kya n GLY 341 Ca -0.21 -0.04 -0.25 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.57 1.55 -0.28 4.61 0.00 -0.90 -5.08 121.76 120.09 1kya s ALA 342 Ca 0.00 -0.87 -0.00 0.00 0.00 0.00 0.00 51.96 51.09 1kya s ALA 342 Cb 0.00 -0.35 0.05 0.00 0.00 0.00 0.00 23.12 22.82 1kya s ALA 342 CO 0.00 0.36 -0.05 0.45 0.00 0.00 0.00 175.76 176.53 1kya s SER 343 N -0.72 4.65 0.39 0.00 0.15 -1.26 0.23 113.70 117.14 1kya s SER 343 Ca 0.07 -1.25 -0.26 0.00 0.70 0.00 0.00 55.95 55.21 1kya s SER 343 Cb -0.08 -1.65 -0.11 0.00 -1.71 0.00 0.00 66.02 62.47 1kya s SER 343 CO 0.00 -0.22 1.09 0.33 1.20 0.00 0.00 173.24 175.65 1kya n PHE 344 N 4.57 1.51 -3.61 3.44 7.35 -0.06 -4.93 117.46 125.74 1kya n PHE 344 Ca -0.14 0.57 -0.08 0.00 -0.76 0.00 0.00 57.45 57.04 1kya n PHE 344 Cb 0.44 -2.28 -0.09 0.00 0.35 0.00 0.00 39.48 37.89 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 -1.20 -0.66 -0.13 -2.13 -1.32 -1.26 -3.95 115.64 104.99 1kya s THR 345 Ca 0.61 0.13 -0.41 0.00 -1.21 0.00 0.00 61.69 60.81 1kya s THR 345 Cb -0.57 -0.70 -0.18 0.00 -1.51 0.00 0.00 72.50 69.54 1kya s THR 345 CO 0.58 0.04 1.36 -2.65 -2.21 0.00 0.00 174.62 171.74 1kya n PRO 346 N 5.39 0.47 -2.07 7.08 -0.02 -1.26 -4.58 135.00 140.01 1kya n PRO 346 Ca -0.08 0.17 -0.31 0.00 -2.02 0.00 0.00 63.50 61.27 1kya n PRO 346 Cb 0.50 -1.74 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 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 1.33 3.64 0.21 0.52 0.04 -1.26 -4.98 135.00 134.50 1kya s PRO 347 Ca 0.94 0.69 -0.02 0.00 0.04 0.00 0.00 61.00 62.64 1kya s PRO 347 Cb -1.21 -2.14 0.17 0.00 0.04 0.00 0.00 34.50 31.36 1kya s PRO 347 CO 0.61 -0.47 1.56 1.79 0.04 0.00 0.00 177.00 180.53 1kya h THR 348 N -0.05 1.31 -3.82 1.26 1.35 -1.93 -3.41 112.91 107.62 1kya h THR 348 Ca -0.45 -1.65 -0.63 0.00 -0.55 0.00 0.00 66.41 63.13 1kya h THR 348 Cb 1.19 1.62 -0.16 0.00 -1.73 0.00 0.00 68.15 69.07 1kya h THR 348 CO 0.62 0.52 -0.50 -0.69 -0.25 0.00 0.00 175.52 175.22 1kya s VAL 349 N -4.16 5.31 0.37 6.82 1.01 -1.26 -5.02 120.40 123.47 1kya s VAL 349 Ca -0.07 0.20 -0.27 0.00 0.00 0.00 0.00 61.98 61.83 1kya s VAL 349 Cb 0.12 -3.53 -0.11 0.00 0.00 0.00 0.00 36.38 32.85 1kya s VAL 349 CO 0.83 0.27 1.26 -0.81 0.00 0.00 0.00 175.10 176.65 1kya n PRO 350 N 4.90 2.00 -0.30 2.72 -0.04 -1.26 -4.68 135.00 138.34 1kya n PRO 350 Ca -0.14 0.70 0.19 0.00 -0.04 0.00 0.00 63.50 64.22 1kya n PRO 350 Cb 0.52 -2.32 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 2.31 0.63 -0.43 0.52 2.07 -1.17 0.79 116.25 120.96 1kya h VAL 351 Ca -0.47 -0.17 -0.04 0.00 0.82 0.00 0.00 66.70 66.85 1kya h VAL 351 Cb 1.29 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1kya h VAL 351 CO 0.61 0.09 0.10 0.25 0.02 0.00 0.00 177.57 178.64 1kya h LEU 352 N 0.48 0.66 -0.82 2.57 6.46 -1.31 -2.19 115.31 121.17 1kya h LEU 352 Ca 0.54 -0.24 -0.10 0.00 -0.12 0.00 0.00 57.88 57.97 1kya h LEU 352 Cb 1.24 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.98 1kya h LEU 352 CO -0.27 0.73 -0.17 0.25 -0.62 0.00 0.00 178.44 178.36 1kya h LEU 353 N 0.57 0.69 -0.39 2.25 5.85 -1.21 -1.13 115.31 121.93 1kya h LEU 353 Ca 0.14 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.67 1kya h LEU 353 Cb 0.32 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 1kya h LEU 353 CO 0.00 0.87 0.18 1.56 -0.34 0.00 0.00 178.44 180.71 1kya h GLN 354 N 0.62 0.36 -0.46 1.25 4.20 -0.69 0.87 115.11 121.26 1kya h GLN 354 Ca 0.10 -0.02 -0.13 0.00 0.06 0.00 0.00 58.65 58.66 1kya h GLN 354 Cb 0.64 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 1kya h GLN 354 CO 0.04 0.24 -0.22 0.82 -0.67 0.00 0.00 178.83 179.04 1kya h ILE 355 N 0.37 1.27 -0.06 2.54 2.04 -1.13 -0.45 117.51 122.09 1kya h ILE 355 Ca 0.17 -1.39 -0.07 0.00 1.00 0.00 0.00 64.86 64.58 1kya h ILE 355 Cb 0.09 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 1kya h ILE 355 CO -0.13 0.48 -0.27 0.40 0.00 0.00 0.00 178.15 178.62 1kya h ILE 356 N 0.81 1.22 -0.00 -0.67 2.04 -0.91 -2.37 117.51 117.63 1kya h ILE 356 Ca 0.10 -1.05 0.00 0.00 1.00 0.00 0.00 64.86 64.91 1kya h ILE 356 Cb 0.80 1.49 0.00 0.00 -0.74 0.00 0.00 36.82 38.37 1kya h ILE 356 CO 0.07 0.31 -0.02 -1.20 0.00 0.00 0.00 178.15 177.31 1kya n SER 357 N -4.18 0.22 0.00 1.72 7.64 0.27 -4.87 113.62 114.42 1kya n SER 357 Ca -0.02 -0.81 0.00 0.00 1.01 0.00 0.00 58.87 59.05 1kya n SER 357 Cb 0.35 -0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 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 1.12 1.16 3.66 0.23 0.00 -0.89 -5.06 105.19 105.40 1kya n GLY 358 Ca 0.20 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.49 0.06 4.61 0.00 -0.20 -4.87 120.51 119.62 1kya n ALA 359 Ca 0.00 0.44 0.09 0.00 0.00 0.00 0.00 53.44 53.97 1kya n ALA 359 Cb 0.00 -2.17 -0.14 0.00 0.00 0.00 0.00 19.45 17.14 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 4.14 0.60 -2.82 0.00 7.27 -1.26 -4.67 117.38 120.63 1kya n GLN 360 Ca 0.23 -0.16 -0.05 0.00 0.07 0.00 0.00 57.00 57.09 1kya n GLN 360 Cb 0.16 -1.43 0.02 0.00 2.41 0.00 0.00 30.24 31.40 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 -2.09 -1.40 -0.33 1.69 6.94 -1.26 -4.91 115.26 113.90 1kya n ASN 361 Ca -0.03 -1.93 -0.04 0.00 -0.02 0.00 0.00 54.58 52.56 1kya n ASN 361 Cb 0.47 2.32 0.09 0.00 -2.36 0.00 0.00 39.78 40.29 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 1.14 -0.85 -2.53 0.00 -1.93 -2.28 119.26 114.81 1kya h ALA 362 Ca -0.21 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.64 1kya h ALA 362 Cb 0.79 -0.36 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 1kya h ALA 362 CO 0.26 0.64 0.56 -0.56 0.00 0.00 0.00 179.25 180.15 1kya h GLN 363 N 1.24 0.94 0.03 0.00 -0.00 -1.96 -3.01 115.11 112.35 1kya h GLN 363 Ca 0.31 -0.06 -0.00 0.00 -0.00 0.00 0.00 58.65 58.91 1kya h GLN 363 Cb 0.02 -0.21 0.00 0.00 -0.00 0.00 0.00 27.48 27.28 1kya h GLN 363 CO -0.05 0.62 -0.01 -0.44 -0.00 0.00 0.00 178.83 178.95 1kya h ASP 364 N 0.97 -0.03 -2.18 0.06 3.32 -1.88 -3.47 116.42 113.22 1kya h ASP 364 Ca 0.36 -0.69 -0.63 0.00 0.02 0.00 0.00 57.03 56.09 1kya h ASP 364 Cb 0.18 0.01 0.09 0.00 0.22 0.00 0.00 39.33 39.83 1kya h ASP 364 CO -0.13 0.72 0.26 0.18 -1.72 0.00 0.00 179.24 178.55 1kya n LEU 365 N -4.74 1.76 -4.63 1.55 4.77 -0.89 -4.96 117.00 109.86 1kya n LEU 365 Ca -0.09 1.15 -0.29 0.00 -0.03 0.00 0.00 56.01 56.76 1kya n LEU 365 Cb 0.35 -1.26 -0.09 0.00 -2.33 0.00 0.00 43.42 40.09 1kya n LEU 365 CO 0.31 -1.26 -0.38 -0.76 -1.33 0.00 0.00 177.39 173.97 1kya s LEU 366 N 0.56 3.21 0.47 2.23 1.43 -1.26 -4.03 118.68 121.30 1kya s LEU 366 Ca 0.68 -0.33 -0.21 0.00 -1.03 0.00 0.00 54.13 53.23 1kya s LEU 366 Cb -0.78 -1.96 -0.08 0.00 0.03 0.00 0.00 46.19 43.40 1kya s LEU 366 CO 0.54 0.16 1.06 -2.16 0.23 0.00 0.00 176.35 176.18 1kya s PRO 367 N -2.40 3.83 0.35 1.29 0.04 -1.26 -4.73 135.00 132.11 1kya s PRO 367 Ca 0.24 1.45 -0.28 0.00 0.04 0.00 0.00 61.00 62.45 1kya s PRO 367 Cb -0.11 -2.20 -0.10 0.00 0.04 0.00 0.00 34.50 32.13 1kya s PRO 367 CO 0.16 -0.42 1.27 0.45 0.04 0.00 0.00 177.00 178.50 1kya s SER 368 N -1.82 6.72 0.00 6.66 0.15 -1.26 -2.93 113.70 121.22 1kya s SER 368 Ca 0.66 2.61 0.00 0.00 0.70 0.00 0.00 55.95 59.92 1kya s SER 368 Cb -0.19 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.48 1kya s SER 368 CO 0.23 -0.56 0.00 0.61 1.20 0.00 0.00 173.24 174.72 1kya n GLY 369 N 0.80 1.95 0.34 9.45 0.00 -1.26 -4.82 105.19 111.65 1kya n GLY 369 Ca 0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.07 1kya n GLY 369 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1kya n SER 370 N 0.00 1.86 -4.34 1.61 7.64 -1.15 -4.71 113.62 114.53 1kya n SER 370 Ca 0.00 -1.47 -0.32 0.00 1.01 0.00 0.00 58.87 58.09 1kya n SER 370 Cb 0.00 -0.03 -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 -0.72 2.55 -0.03 0.44 1.01 -1.25 -0.12 120.40 122.28 1kya s VAL 371 Ca 0.10 -0.88 0.07 0.00 0.00 0.00 0.00 61.98 61.27 1kya s VAL 371 Cb 0.07 -1.99 -0.02 0.00 0.00 0.00 0.00 36.38 34.44 1kya s VAL 371 CO 0.10 0.56 -0.22 -0.31 0.00 0.00 0.00 175.10 175.23 1kya s TYR 372 N -0.11 2.06 0.08 5.22 1.51 -0.33 -4.87 117.35 120.92 1kya s TYR 372 Ca -0.04 -0.44 -0.22 0.00 -1.01 0.00 0.00 57.07 55.36 1kya s TYR 372 Cb -0.14 -1.33 -0.07 0.00 -0.11 0.00 0.00 41.96 40.31 1kya s TYR 372 CO 0.04 -0.07 0.66 -1.12 -1.11 0.00 0.00 175.55 173.95 1kya s SER 373 N -0.42 7.17 -0.11 2.29 0.01 -1.26 -0.04 113.70 121.33 1kya s SER 373 Ca 0.06 1.38 0.00 0.00 1.31 0.00 0.00 55.95 58.70 1kya s SER 373 Cb -0.10 -2.42 0.02 0.00 0.21 0.00 0.00 66.02 63.74 1kya s SER 373 CO 0.00 0.19 -0.09 -0.76 0.41 0.00 0.00 173.24 172.99 1kya s LEU 374 N -0.83 1.32 0.43 2.44 1.02 -0.68 -4.91 118.68 117.47 1kya s LEU 374 Ca 0.33 -0.33 -0.24 0.00 0.02 0.00 0.00 54.13 53.91 1kya s LEU 374 Cb -0.20 -0.89 -0.08 0.00 0.02 0.00 0.00 46.19 45.03 1kya s LEU 374 CO 0.21 -0.09 1.16 -2.16 0.02 0.00 0.00 176.35 175.49 1kya s PRO 375 N 1.54 3.89 0.85 1.29 0.04 -1.26 0.26 135.00 141.60 1kya s PRO 375 Ca 0.02 1.78 -0.11 0.00 0.04 0.00 0.00 61.00 62.73 1kya s PRO 375 Cb -0.13 -2.51 0.10 0.00 0.04 0.00 0.00 34.50 32.00 1kya s PRO 375 CO -0.07 -0.44 1.09 -1.54 0.04 0.00 0.00 177.00 176.08 1kya s SER 376 N -1.29 3.92 -1.18 6.66 1.04 -1.26 -4.09 113.70 117.50 1kya s SER 376 Ca 0.61 1.54 -0.32 0.00 0.48 0.00 0.00 55.95 58.26 1kya s SER 376 Cb -0.29 -2.24 0.04 0.00 0.10 0.00 0.00 66.02 63.63 1kya s SER 376 CO 0.36 -2.36 0.68 -3.20 0.98 0.00 0.00 173.24 169.70 1kya n ASN 377 N -3.71 -4.27 -3.93 7.02 5.15 -0.15 -4.94 115.26 110.43 1kya n ASN 377 Ca 0.07 -1.26 -0.09 0.00 -0.60 0.00 0.00 54.58 52.70 1kya n ASN 377 Cb 0.55 -1.75 -0.08 0.00 -0.53 0.00 0.00 39.78 37.96 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 -3.48 -0.02 -0.11 5.20 0.00 -1.26 -4.94 121.76 117.15 1kya s ALA 378 Ca 0.46 -0.72 -0.14 0.00 0.00 0.00 0.00 51.96 51.56 1kya s ALA 378 Cb -0.25 0.36 -0.05 0.00 0.00 0.00 0.00 23.12 23.19 1kya s ALA 378 CO 0.96 -0.42 0.34 -0.51 0.00 0.00 0.00 175.76 176.13 1kya s ASP 379 N -2.64 6.56 -0.02 0.00 1.01 -1.26 -1.37 116.67 118.95 1kya s ASP 379 Ca 0.02 0.67 0.07 0.00 0.71 0.00 0.00 52.55 54.02 1kya s ASP 379 Cb 0.04 -2.21 -0.02 0.00 1.01 0.00 0.00 42.92 41.74 1kya s ASP 379 CO -0.09 0.17 -0.24 -0.63 0.21 0.00 0.00 175.17 174.59 1kya s ILE 380 N -0.03 1.89 -0.09 0.77 1.01 0.73 -2.10 121.20 123.37 1kya s ILE 380 Ca 0.20 -1.02 0.01 0.00 0.00 0.00 0.00 60.65 59.84 1kya s ILE 380 Cb -0.14 -1.57 0.02 0.00 0.01 0.00 0.00 42.46 40.78 1kya s ILE 380 CO 0.07 0.53 -0.10 -0.70 0.00 0.00 0.00 174.94 174.74 1kya s GLU 381 N -0.53 1.62 0.00 2.79 2.12 -0.86 -1.20 118.70 122.65 1kya s GLU 381 Ca 0.08 -0.34 0.07 0.00 0.36 0.00 0.00 54.97 55.14 1kya s GLU 381 Cb -0.09 -1.47 -0.02 0.00 0.26 0.00 0.00 34.13 32.80 1kya s GLU 381 CO -0.01 -0.10 -0.23 0.42 -0.54 0.00 0.00 175.26 174.81 1kya s ILE 382 N 1.09 1.81 -0.05 -3.70 1.01 0.51 -0.90 121.20 120.98 1kya s ILE 382 Ca -0.06 -1.07 0.05 0.00 0.00 0.00 0.00 60.65 59.56 1kya s ILE 382 Cb -0.14 -1.52 -0.01 0.00 0.01 0.00 0.00 42.46 40.80 1kya s ILE 382 CO -0.01 0.42 -0.20 -0.94 0.00 0.00 0.00 174.94 174.21 1kya s SER 383 N -0.77 2.45 -0.72 3.58 1.04 -0.65 -0.57 113.70 118.06 1kya s SER 383 Ca 0.09 -0.40 0.04 0.00 0.48 0.00 0.00 55.95 56.16 1kya s SER 383 Cb -0.09 -0.66 0.25 0.00 0.10 0.00 0.00 66.02 65.61 1kya s SER 383 CO 0.00 0.19 0.83 0.49 0.98 0.00 0.00 173.24 175.73 1kya n PHE 384 N 3.06 3.46 -1.60 5.02 3.72 0.00 -0.61 117.46 130.51 1kya n PHE 384 Ca -0.18 -3.95 -0.48 0.00 -0.05 0.00 0.00 57.45 52.79 1kya n PHE 384 Cb 0.53 -0.70 -0.05 0.00 -0.94 0.00 0.00 39.48 38.32 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 1.10 1.80 -1.73 -1.08 -0.02 -1.26 -3.98 135.00 129.84 1kya n PRO 385 Ca 0.28 0.60 -0.42 0.00 -2.02 0.00 0.00 63.50 61.93 1kya n PRO 385 Cb 0.39 -2.69 -0.01 0.00 -0.02 0.00 0.00 33.50 31.17 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 8.47 1.92 -3.64 3.55 0.00 -1.11 -4.66 120.51 125.05 1kya n ALA 386 Ca 0.29 0.37 -0.14 0.00 0.00 0.00 0.00 53.44 53.97 1kya n ALA 386 Cb 0.30 -2.36 -0.13 0.00 0.00 0.00 0.00 19.45 17.26 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 -0.57 -0.42 -1.33 0.00 2.01 -1.26 -4.62 115.64 109.45 1kya s THR 387 Ca 0.60 0.23 0.00 0.00 0.31 0.00 0.00 61.69 62.83 1kya s THR 387 Cb -0.54 -0.48 0.00 0.00 0.01 0.00 0.00 72.50 71.49 1kya s THR 387 CO 0.56 0.08 0.58 0.00 -0.69 0.00 0.00 174.62 175.15 1kya n ALA 388 N 5.35 1.07 0.29 7.40 0.00 -1.26 -0.59 120.51 132.77 1kya n ALA 388 Ca -0.06 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.52 1kya n ALA 388 Cb 0.50 -0.81 0.66 0.00 0.00 0.00 0.00 19.45 19.79 1kya n ALA 388 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kya h ALA 389 N 1.62 1.00 -3.35 0.00 0.00 -1.95 -3.35 119.26 113.23 1kya h ALA 389 Ca 0.00 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 54.25 1kya h ALA 389 Cb 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 17.47 1kya h ALA 389 CO 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 179.25 178.68 1kya s ALA 390 N -3.57 3.31 0.67 0.00 0.00 0.24 -1.91 121.76 120.50 1kya s ALA 390 Ca 0.00 -3.11 -0.16 0.00 0.00 0.00 0.00 51.96 48.69 1kya s ALA 390 Cb 0.09 -2.28 0.01 0.00 0.00 0.00 0.00 23.12 20.93 1kya s ALA 390 CO 0.35 -1.98 1.18 -2.14 0.00 0.00 0.00 175.76 173.18 1kya s PRO 391 N 0.05 2.53 0.00 0.00 0.02 -1.26 -4.12 135.00 132.22 1kya s PRO 391 Ca 0.15 1.68 0.00 0.00 0.02 0.00 0.00 61.00 62.86 1kya s PRO 391 Cb -0.23 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.40 1kya s PRO 391 CO -0.02 -1.52 0.00 0.41 -0.33 0.00 0.00 177.00 175.54 1kya n GLY 392 N 0.20 0.73 3.60 0.52 0.00 -1.26 -5.06 105.19 103.90 1kya n GLY 392 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 1kya n GLY 392 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kya n ALA 393 N -1.22 -0.22 -2.53 4.61 0.00 -1.26 -4.36 120.51 115.52 1kya n ALA 393 Ca 0.00 -0.12 -0.41 0.00 0.00 0.00 0.00 53.44 52.92 1kya n ALA 393 Cb 0.00 -2.08 -0.04 0.00 0.00 0.00 0.00 19.45 17.33 1kya n ALA 393 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1kya s PRO 394 N -3.03 4.56 -0.35 0.00 0.04 -1.26 -5.05 135.00 129.90 1kya s PRO 394 Ca 0.74 1.25 -0.23 0.00 0.04 0.00 0.00 61.00 62.80 1kya s PRO 394 Cb -0.37 -3.42 0.01 0.00 0.04 0.00 0.00 34.50 30.76 1kya s PRO 394 CO 0.49 0.11 0.77 -1.01 0.04 0.00 0.00 177.00 177.40 1kya s HIS 395 N 0.48 3.13 -0.51 0.56 3.76 -1.26 -4.85 115.29 116.61 1kya s HIS 395 Ca 0.45 0.58 -0.28 0.00 -0.15 0.00 0.00 55.06 55.66 1kya s HIS 395 Cb -0.21 -3.33 0.03 0.00 1.11 0.00 0.00 32.58 30.18 1kya s HIS 395 CO 0.25 -0.69 1.11 -2.14 -0.85 0.00 0.00 174.74 172.42 1kya s PRO 396 N 3.02 3.61 0.07 8.40 0.02 -1.26 -1.69 135.00 147.17 1kya s PRO 396 Ca 0.31 0.36 -0.15 0.00 0.02 0.00 0.00 61.00 61.53 1kya s PRO 396 Cb -0.13 -3.95 -0.06 0.00 0.02 0.00 0.00 34.50 30.37 1kya s PRO 396 CO 0.16 -1.45 0.49 -0.06 -0.33 0.00 0.00 177.00 175.81 1kya s PHE 397 N 4.45 3.70 -0.01 6.54 0.40 0.09 0.42 117.98 133.56 1kya s PHE 397 Ca 0.44 1.06 0.06 0.00 -0.60 0.00 0.00 56.93 57.89 1kya s PHE 397 Cb -0.08 -2.35 -0.02 0.00 0.51 0.00 0.00 43.02 41.09 1kya s PHE 397 CO 0.28 0.56 -0.20 -1.58 0.70 0.00 0.00 175.22 174.98 1kya s HIS 398 N -1.23 1.79 -0.12 0.36 5.65 0.88 -1.35 115.29 121.28 1kya s HIS 398 Ca 0.30 -0.34 0.02 0.00 0.25 0.00 0.00 55.06 55.28 1kya s HIS 398 Cb -0.17 -1.15 -0.01 0.00 -1.18 0.00 0.00 32.58 30.08 1kya s HIS 398 CO 0.17 -0.02 -0.17 -1.17 -0.65 0.00 0.00 174.74 172.89 1kya s LEU 399 N -0.52 2.47 0.43 8.88 0.20 -1.08 -1.73 118.68 127.33 1kya s LEU 399 Ca 0.08 -0.41 -0.08 0.00 0.69 0.00 0.00 54.13 54.40 1kya s LEU 399 Cb -0.08 -1.53 -0.05 0.00 -0.43 0.00 0.00 46.19 44.10 1kya s LEU 399 CO -0.01 0.17 0.77 -1.00 -0.29 0.00 0.00 176.35 175.99 1kya s HIS 400 N 0.31 3.51 0.00 5.38 3.76 -0.34 -4.29 115.29 123.62 1kya s HIS 400 Ca -0.13 0.95 0.00 0.00 -0.15 0.00 0.00 55.06 55.73 1kya s HIS 400 Cb -0.17 -2.38 0.00 0.00 1.11 0.00 0.00 32.58 31.14 1kya s HIS 400 CO 0.07 -0.16 0.00 0.41 -0.85 0.00 0.00 174.74 174.21 1kya n GLY 401 N -1.63 1.08 3.36 -2.22 0.00 -1.26 -4.75 105.19 99.78 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 -2.19 0.19 -0.08 1.61 4.02 -1.26 -4.72 115.29 112.85 1kya s HIS 402 Ca 0.00 -0.55 0.00 0.00 1.02 0.00 0.00 55.06 55.53 1kya s HIS 402 Cb 0.00 0.08 -0.03 0.00 -1.02 0.00 0.00 32.58 31.61 1kya s HIS 402 CO 0.00 -0.74 -0.07 0.00 1.02 0.00 0.00 174.74 174.95 1kya s ALA 403 N -3.92 2.94 0.29 -1.40 0.00 -1.26 -4.76 121.76 113.65 1kya s ALA 403 Ca 0.12 -0.89 0.10 0.00 0.00 0.00 0.00 51.96 51.30 1kya s ALA 403 Cb 0.02 -1.26 -0.05 0.00 0.00 0.00 0.00 23.12 21.84 1kya s ALA 403 CO -0.03 0.50 -0.08 -0.59 0.00 0.00 0.00 175.76 175.55 1kya s PHE 404 N -0.55 2.50 -0.12 0.00 -0.12 0.68 -4.83 117.98 115.53 1kya s PHE 404 Ca 0.08 -0.32 -0.15 0.00 -0.05 0.00 0.00 56.93 56.49 1kya s PHE 404 Cb -0.12 -1.18 -0.05 0.00 -0.63 0.00 0.00 43.02 41.05 1kya s PHE 404 CO 0.02 0.63 0.38 0.00 -0.05 0.00 0.00 175.22 176.20 1kya s ALA 405 N -2.45 3.57 -0.93 1.99 0.00 0.65 -0.88 121.76 123.70 1kya s ALA 405 Ca 0.32 -0.32 -0.15 0.00 0.00 0.00 0.00 51.96 51.80 1kya s ALA 405 Cb -0.04 -2.48 0.19 0.00 0.00 0.00 0.00 23.12 20.78 1kya s ALA 405 CO 0.18 0.13 1.01 0.08 0.00 0.00 0.00 175.76 177.15 1kya s VAL 406 N 0.26 5.26 0.41 0.00 1.01 -0.84 -1.12 120.40 125.37 1kya s VAL 406 Ca 0.21 -2.24 0.14 0.00 0.00 0.00 0.00 61.98 60.09 1kya s VAL 406 Cb -0.14 -4.65 0.14 0.00 0.00 0.00 0.00 36.38 31.73 1kya s VAL 406 CO 0.08 -1.29 1.91 -0.37 0.00 0.00 0.00 175.10 175.43 1kya h VAL 407 N 5.06 1.19 -3.27 2.92 -1.51 -1.52 -3.41 116.25 115.70 1kya h VAL 407 Ca 0.16 -0.96 -0.40 0.00 -1.23 0.00 0.00 66.70 64.26 1kya h VAL 407 Cb 1.00 1.52 -0.39 0.00 -2.13 0.00 0.00 31.29 31.29 1kya h VAL 407 CO 0.96 0.28 -0.75 -0.60 -1.23 0.00 0.00 177.57 176.23 1kya s ARG 408 N -4.40 0.15 0.37 5.19 3.52 -1.01 0.21 118.95 122.98 1kya s ARG 408 Ca -0.03 0.25 -0.01 0.00 -0.13 0.00 0.00 55.73 55.81 1kya s ARG 408 Cb 0.15 -0.78 -0.03 0.00 -1.56 0.00 0.00 34.95 32.73 1kya s ARG 408 CO 0.71 -0.35 0.59 -1.12 -0.81 0.00 0.00 175.30 174.32 1kya s SER 409 N 2.10 6.29 0.44 -2.12 0.01 -1.26 -2.01 113.70 117.15 1kya s SER 409 Ca 0.05 0.54 -0.25 0.00 1.31 0.00 0.00 55.95 57.59 1kya s SER 409 Cb -0.12 -2.07 -0.08 0.00 0.21 0.00 0.00 66.02 63.95 1kya s SER 409 CO -0.04 -0.35 1.40 0.00 0.41 0.00 0.00 173.24 174.66 1kya s ALA 410 N -2.40 3.25 -0.86 1.44 0.00 -1.26 -2.46 121.76 119.47 1kya s ALA 410 Ca 0.41 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.79 1kya s ALA 410 Cb -0.10 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.45 1kya s ALA 410 CO 0.38 -1.12 0.00 0.41 0.00 0.00 0.00 175.76 175.43 1kya n GLY 411 N 0.59 0.74 3.18 0.00 0.00 -1.26 -4.97 105.19 103.47 1kya n GLY 411 Ca 0.05 -0.62 -0.13 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.82 -0.16 0.00 1.61 0.15 -1.03 -5.03 113.70 106.41 1kya s SER 412 Ca 0.00 0.14 0.14 0.00 0.70 0.00 0.00 55.95 56.93 1kya s SER 412 Cb 0.00 0.36 0.28 0.00 -1.71 0.00 0.00 66.02 64.95 1kya s SER 412 CO 0.00 -0.33 1.18 0.35 1.20 0.00 0.00 173.24 175.64 1kya n THR 413 N 1.78 0.59 -2.98 6.45 -2.24 -1.26 -4.66 114.28 111.96 1kya n THR 413 Ca -0.19 -0.80 -0.36 0.00 -2.27 0.00 0.00 64.05 60.43 1kya n THR 413 Cb 0.56 0.83 -0.06 0.00 -2.10 0.00 0.00 70.33 69.56 1kya n THR 413 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1kya s VAL 414 N -1.08 4.44 -0.32 2.28 1.01 -1.26 -5.05 120.40 120.42 1kya s VAL 414 Ca 0.25 1.48 -0.00 0.00 0.00 0.00 0.00 61.98 63.70 1kya s VAL 414 Cb 0.14 -3.90 0.07 0.00 0.00 0.00 0.00 36.38 32.68 1kya s VAL 414 CO 0.19 0.17 0.02 -0.31 0.00 0.00 0.00 175.10 175.17 1kya s TYR 415 N -1.58 3.39 -0.47 5.22 1.51 -1.26 -4.31 117.35 119.85 1kya s TYR 415 Ca 0.46 -2.20 -0.16 0.00 -1.01 0.00 0.00 57.07 54.15 1kya s TYR 415 Cb -0.17 -2.36 0.06 0.00 -0.11 0.00 0.00 41.96 39.38 1kya s TYR 415 CO 0.22 -0.87 0.45 1.21 -1.11 0.00 0.00 175.55 175.45 1kya s ASN 416 N 1.27 6.17 0.00 2.29 3.84 0.13 -4.90 114.94 123.74 1kya s ASN 416 Ca -0.02 -1.14 0.25 0.00 0.21 0.00 0.00 52.86 52.16 1kya s ASN 416 Cb -0.20 -2.21 0.32 0.00 -0.55 0.00 0.00 41.25 38.61 1kya s ASN 416 CO -0.03 -0.68 1.33 -1.22 -2.79 0.00 0.00 177.10 173.70 1kya n TYR 417 N 5.47 0.00 -0.04 0.43 4.01 -1.26 -4.22 117.16 121.55 1kya n TYR 417 Ca -0.10 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.58 1kya n TYR 417 Cb 0.45 -0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.43 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 1.10 3.37 0.00 7.72 2.03 -1.26 -4.33 116.55 125.18 1kya n ASP 418 Ca 0.15 -0.03 0.00 0.00 0.52 0.00 0.00 54.79 55.42 1kya n ASP 418 Cb 0.56 0.04 0.00 0.00 -0.72 0.00 0.00 41.12 41.00 1kya n ASP 418 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1kya n ASN 419 N -2.63 1.55 -4.76 1.67 4.05 -1.26 -4.79 115.26 109.08 1kya n ASN 419 Ca -0.14 -1.71 -0.39 0.00 0.45 0.00 0.00 54.58 52.79 1kya n ASN 419 Cb 0.67 0.00 0.02 0.00 1.23 0.00 0.00 39.78 41.70 1kya n ASN 419 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1kya s PRO 420 N -0.71 3.56 0.80 1.20 0.04 -1.26 -4.41 135.00 134.22 1kya s PRO 420 Ca 0.00 2.24 -0.11 0.00 0.04 0.00 0.00 61.00 63.17 1kya s PRO 420 Cb 0.00 -2.51 0.07 0.00 0.04 0.00 0.00 34.50 32.10 1kya s PRO 420 CO 0.00 -0.86 1.09 0.96 0.04 0.00 0.00 177.00 178.23 1kya s ILE 421 N -1.28 3.20 0.06 0.56 -5.25 -1.20 -4.54 121.20 112.75 1kya s ILE 421 Ca 0.64 0.39 0.06 0.00 -0.99 0.00 0.00 60.65 60.75 1kya s ILE 421 Cb -0.40 -2.98 -0.04 0.00 2.95 0.00 0.00 42.46 41.99 1kya s ILE 421 CO 0.50 -0.51 -0.12 -0.36 -1.79 0.00 0.00 174.94 172.66 1kya s PHE 422 N -3.00 2.70 0.19 1.37 0.08 -1.26 -1.98 117.98 116.09 1kya s PHE 422 Ca 0.61 -0.17 -0.22 0.00 0.12 0.00 0.00 56.93 57.27 1kya s PHE 422 Cb -0.16 -1.48 0.07 0.00 -0.57 0.00 0.00 43.02 40.89 1kya s PHE 422 CO 0.56 0.36 1.01 -0.98 -0.10 0.00 0.00 175.22 176.07 1kya s ARG 423 N -1.79 1.36 0.00 0.44 1.70 -0.06 -4.67 118.95 115.93 1kya s ARG 423 Ca 0.18 -0.86 0.04 0.00 -0.47 0.00 0.00 55.73 54.62 1kya s ARG 423 Cb -0.11 0.39 -0.02 0.00 -0.57 0.00 0.00 34.95 34.64 1kya s ARG 423 CO 0.09 -0.63 0.30 -0.40 -1.08 0.00 0.00 175.30 173.58 1kya n ASP 424 N -1.13 0.52 -3.92 -2.89 5.68 -1.26 -0.23 116.55 113.32 1kya n ASP 424 Ca -0.04 -0.76 -0.23 0.00 -0.50 0.00 0.00 54.79 53.26 1kya n ASP 424 Cb 0.60 0.73 -0.17 0.00 -1.14 0.00 0.00 41.12 41.13 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 -1.11 0.81 -0.02 2.12 1.01 -1.26 -2.65 120.40 119.30 1kya s VAL 425 Ca 0.03 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.78 1kya s VAL 425 Cb 0.03 -0.81 0.01 0.00 0.00 0.00 0.00 36.38 35.61 1kya s VAL 425 CO 0.14 0.30 -0.03 0.54 0.00 0.00 0.00 175.10 176.05 1kya s VAL 426 N 1.14 0.36 0.07 2.92 0.11 -0.46 -4.94 120.40 119.60 1kya s VAL 426 Ca -0.07 -0.10 -0.31 0.00 -2.93 0.00 0.00 61.98 58.57 1kya s VAL 426 Cb -0.14 -0.36 -0.07 0.00 -1.53 0.00 0.00 36.38 34.28 1kya s VAL 426 CO -0.01 0.14 1.33 -0.55 -3.33 0.00 0.00 175.10 172.68 1kya s SER 427 N 0.44 6.91 -0.18 3.54 0.15 -1.26 -0.73 113.70 122.57 1kya s SER 427 Ca -0.05 2.17 0.06 0.00 0.70 0.00 0.00 55.95 58.83 1kya s SER 427 Cb -0.08 -2.58 0.45 0.00 -1.71 0.00 0.00 66.02 62.10 1kya s SER 427 CO -0.00 -0.61 1.32 0.35 1.20 0.00 0.00 173.24 175.50 1kya n THR 428 N 4.12 1.82 -4.80 6.45 -2.24 -0.68 -4.20 114.28 114.74 1kya n THR 428 Ca 0.11 -0.91 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 1kya n THR 428 Cb 0.44 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 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 0.11 0.97 3.19 3.38 0.00 -1.26 -4.37 105.19 107.21 1kya n GLY 429 Ca 0.22 -0.74 -0.09 0.00 0.00 0.00 0.00 46.02 45.40 1kya n GLY 429 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1kya s THR 430 N 0.00 0.13 0.53 2.61 -4.23 -1.26 -4.13 115.64 109.30 1kya s THR 430 Ca 0.00 -1.08 0.33 0.00 -1.18 0.00 0.00 61.69 59.76 1kya s THR 430 Cb 0.00 -1.17 0.33 0.00 1.34 0.00 0.00 72.50 73.00 1kya s THR 430 CO 0.00 -0.60 2.01 -0.65 -0.54 0.00 0.00 174.62 174.84 1kya h PRO 431 N 3.05 0.00 0.00 3.99 0.11 -1.92 -3.05 132.00 134.18 1kya h PRO 431 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 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 0.53 0.00 -0.45 0.00 -0.21 0.00 0.00 178.00 177.87 1kya n ALA 432 N -1.92 3.06 1.07 -0.75 0.00 -1.26 -3.01 120.51 117.69 1kya n ALA 432 Ca -0.02 -0.26 0.12 0.00 0.00 0.00 0.00 53.44 53.28 1kya n ALA 432 Cb 0.23 -1.21 0.09 0.00 0.00 0.00 0.00 19.45 18.57 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 -1.64 3.48 -2.38 0.00 0.00 -1.16 -4.94 120.51 113.86 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 0.38 -0.88 -0.01 0.00 0.00 0.00 0.00 19.45 18.94 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 1.40 -0.43 3.56 0.00 0.00 -1.16 -4.90 105.19 103.65 1kya n GLY 434 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 1kya n GLY 434 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1kya n ASP 435 N -1.98 -0.19 -2.69 1.61 8.00 -1.21 -4.93 116.55 115.16 1kya n ASP 435 Ca -0.24 0.61 -0.07 0.00 0.71 0.00 0.00 54.79 55.80 1kya n ASP 435 Cb 0.68 -1.34 0.11 0.00 -0.02 0.00 0.00 41.12 40.55 1kya n ASP 435 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1kya n ASN 436 N -1.39 -1.37 -4.47 -2.24 5.15 -1.26 -2.74 115.26 106.94 1kya n ASN 436 Ca 0.12 -2.46 -0.57 0.00 -0.60 0.00 0.00 54.58 51.07 1kya n ASN 436 Cb 0.50 0.76 -0.07 0.00 -0.53 0.00 0.00 39.78 40.44 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 -0.64 0.26 -4.25 3.44 0.31 -1.26 -4.58 118.33 111.61 1kya n VAL 437 Ca -0.03 -0.06 -0.18 0.00 -0.01 0.00 0.00 64.34 64.05 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 -0.13 0.58 0.21 2.52 2.01 -0.85 -0.82 115.64 119.16 1kya s THR 438 Ca 0.87 -0.26 0.05 0.00 0.31 0.00 0.00 61.69 62.66 1kya s THR 438 Cb -1.22 -0.52 -0.05 0.00 0.01 0.00 0.00 72.50 70.72 1kya s THR 438 CO 0.57 0.18 -0.06 0.27 -0.69 0.00 0.00 174.62 174.89 1kya s ILE 439 N 0.14 1.28 0.00 1.82 -4.36 0.26 -1.61 121.20 118.73 1kya s ILE 439 Ca -0.02 -2.08 -0.04 0.00 -0.26 0.00 0.00 60.65 58.25 1kya s ILE 439 Cb -0.06 -2.19 -0.00 0.00 1.25 0.00 0.00 42.46 41.45 1kya s ILE 439 CO -0.00 -0.47 0.07 -0.13 0.24 0.00 0.00 174.94 174.65 1kya s ARG 440 N -3.78 0.35 0.08 0.37 0.52 -0.27 -0.36 118.95 115.86 1kya s ARG 440 Ca 0.25 -0.36 -0.23 0.00 -0.52 0.00 0.00 55.73 54.87 1kya s ARG 440 Cb 0.04 0.14 0.06 0.00 0.52 0.00 0.00 34.95 35.70 1kya s ARG 440 CO 0.07 -0.07 0.55 -0.59 0.02 0.00 0.00 175.30 175.28 1kya s PHE 441 N -1.10 -0.47 -0.15 -0.53 -0.71 -0.34 -0.25 117.98 114.42 1kya s PHE 441 Ca -0.12 0.43 -0.08 0.00 -1.04 0.00 0.00 56.93 56.13 1kya s PHE 441 Cb -0.07 0.41 -0.04 0.00 -1.21 0.00 0.00 43.02 42.11 1kya s PHE 441 CO 0.00 -0.72 0.11 -0.98 -1.34 0.00 0.00 175.22 172.30 1kya s ARG 442 N -2.89 3.74 -0.96 1.99 3.03 -1.26 -0.20 118.95 122.40 1kya s ARG 442 Ca -0.03 -0.21 -0.24 0.00 2.03 0.00 0.00 55.73 57.28 1kya s ARG 442 Cb -0.00 -3.24 0.01 0.00 -1.03 0.00 0.00 34.95 30.69 1kya s ARG 442 CO -0.05 0.54 1.64 0.95 -1.13 0.00 0.00 175.30 177.24 1kya s THR 443 N -0.34 3.73 -0.15 4.99 -4.23 -0.47 -4.67 115.64 114.50 1kya s THR 443 Ca 0.11 -0.57 0.11 0.00 -1.18 0.00 0.00 61.69 60.16 1kya s THR 443 Cb -0.12 -4.64 0.21 0.00 1.34 0.00 0.00 72.50 69.30 1kya s THR 443 CO 0.01 -1.54 1.13 -0.90 -0.54 0.00 0.00 174.62 172.78 1kya n ASP 444 N 10.90 2.42 -3.50 3.99 5.75 -1.26 -0.98 116.55 133.86 1kya n ASP 444 Ca 0.35 -2.61 -0.28 0.00 -0.01 0.00 0.00 54.79 52.24 1kya n ASP 444 Cb 0.49 -0.27 -0.14 0.00 -1.03 0.00 0.00 41.12 40.18 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 -1.97 3.20 0.28 -1.12 3.84 -1.26 -5.06 114.94 112.84 1kya s ASN 445 Ca 0.21 -1.53 -0.30 0.00 0.21 0.00 0.00 52.86 51.45 1kya s ASN 445 Cb 0.17 -0.29 -0.11 0.00 -0.55 0.00 0.00 41.25 40.48 1kya s ASN 445 CO 0.03 -0.39 1.56 -2.84 -2.79 0.00 0.00 177.10 172.67 1kya s PRO 446 N 1.80 4.16 0.00 0.43 0.02 -1.26 -4.86 135.00 135.29 1kya s PRO 446 Ca 0.12 2.50 0.00 0.00 0.02 0.00 0.00 61.00 63.64 1kya s PRO 446 Cb -0.18 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.29 1kya s PRO 446 CO -0.25 -0.58 0.00 0.41 -0.33 0.00 0.00 177.00 176.25 1kya n GLY 447 N 2.25 3.04 3.69 0.52 0.00 0.20 -4.78 105.19 110.11 1kya n GLY 447 Ca 0.08 -1.77 -0.41 0.00 0.00 0.00 0.00 46.02 43.92 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 -1.93 4.36 -0.03 1.61 0.04 -1.26 -1.27 135.00 136.51 1kya s PRO 448 Ca 0.00 1.00 0.05 0.00 0.04 0.00 0.00 61.00 62.09 1kya s PRO 448 Cb 0.00 -3.53 -0.01 0.00 0.04 0.00 0.00 34.50 31.00 1kya s PRO 448 CO 0.00 -0.18 -0.18 -1.58 0.04 0.00 0.00 177.00 175.10 1kya s TRP 449 N 1.64 1.69 0.43 0.56 0.52 0.51 -4.88 118.94 119.41 1kya s TRP 449 Ca 0.39 -0.40 -0.21 0.00 0.02 0.00 0.00 56.10 55.91 1kya s TRP 449 Cb -0.17 -1.11 -0.11 0.00 -1.15 0.00 0.00 33.47 30.93 1kya s TRP 449 CO 0.15 -0.09 0.95 0.12 0.02 0.00 0.00 176.95 178.10 1kya s PHE 450 N -0.22 3.32 -0.08 -1.98 5.36 -1.26 -0.30 117.98 122.81 1kya s PHE 450 Ca 0.02 1.59 -0.03 0.00 -0.96 0.00 0.00 56.93 57.55 1kya s PHE 450 Cb -0.09 -2.84 0.04 0.00 -0.34 0.00 0.00 43.02 39.79 1kya s PHE 450 CO 0.01 -0.13 0.12 -1.17 -1.46 0.00 0.00 175.22 172.59 1kya s LEU 451 N -3.24 0.06 0.22 6.12 2.96 -0.24 -1.20 118.68 123.35 1kya s LEU 451 Ca 0.62 0.09 -0.23 0.00 -0.22 0.00 0.00 54.13 54.39 1kya s LEU 451 Cb -0.09 0.06 0.04 0.00 0.50 0.00 0.00 46.19 46.70 1kya s LEU 451 CO 0.14 -0.26 0.81 -1.38 -1.32 0.00 0.00 176.35 174.34 1kya s HIS 452 N 2.23 -0.18 0.19 5.38 -3.43 -0.71 -0.32 115.29 118.45 1kya s HIS 452 Ca 0.04 -0.20 -0.30 0.00 -0.80 0.00 0.00 55.06 53.80 1kya s HIS 452 Cb -0.13 0.67 -0.08 0.00 -1.43 0.00 0.00 32.58 31.62 1kya s HIS 452 CO -0.05 -1.06 1.09 0.00 -2.00 0.00 0.00 174.74 172.72 1kya n HIS 454 N 2.21 0.35 -2.79 0.00 -0.00 0.17 -4.37 115.22 110.78 1kya n HIS 454 Ca 0.02 -0.16 -0.43 0.00 0.46 0.00 0.00 57.72 57.61 1kya n HIS 454 Cb 0.46 -0.03 -0.03 0.00 -0.12 0.00 0.00 29.99 30.27 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 -1.68 4.34 0.36 3.57 1.01 -1.26 -4.58 121.20 122.96 1kya s ILE 455 Ca 0.15 -0.88 0.18 0.00 0.00 0.00 0.00 60.65 60.10 1kya s ILE 455 Cb 0.09 -4.83 0.35 0.00 0.01 0.00 0.00 42.46 38.07 1kya s ILE 455 CO 0.09 -1.62 1.61 -0.78 0.00 0.00 0.00 174.94 174.24 1kya h ASP 456 N 9.36 0.34 0.13 3.58 -0.00 -1.59 0.82 116.42 129.07 1kya h ASP 456 Ca 0.00 0.24 -0.01 0.00 -0.00 0.00 0.00 57.03 57.26 1kya h ASP 456 Cb 1.04 0.24 -0.00 0.00 -0.00 0.00 0.00 39.33 40.60 1kya h ASP 456 CO 1.22 -0.33 -0.05 -0.26 -0.00 0.00 0.00 179.24 179.81 1kya h PHE 457 N 0.11 0.00 0.05 0.28 0.04 -1.89 0.13 116.94 115.67 1kya h PHE 457 Ca 0.79 0.00 -0.29 0.00 2.80 0.00 0.00 57.97 61.28 1kya h PHE 457 Cb 1.99 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 40.11 1kya h PHE 457 CO -0.04 0.05 -1.54 0.45 -0.60 0.00 0.00 178.31 176.63 1kya h HIS 458 N 0.00 0.19 -0.08 -0.55 3.86 0.31 -3.11 115.15 115.77 1kya h HIS 458 Ca -0.00 -0.14 -0.01 0.00 -1.16 0.00 0.00 60.37 59.06 1kya h HIS 458 Cb 0.13 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 28.59 1kya h HIS 458 CO 0.00 1.20 0.03 1.25 0.86 0.00 0.00 177.93 181.27 1kya h LEU 459 N 0.03 0.12 -2.31 2.43 6.46 -0.76 -1.57 115.31 119.70 1kya h LEU 459 Ca -0.23 -0.18 0.04 0.00 -0.12 0.00 0.00 57.88 57.39 1kya h LEU 459 Cb 1.97 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 41.86 1kya h LEU 459 CO 0.12 0.27 0.16 -0.33 -0.62 0.00 0.00 178.44 178.03 1kya h GLU 460 N -0.04 0.00 -0.62 1.25 5.08 -0.88 0.09 114.58 119.47 1kya h GLU 460 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1kya h GLU 460 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 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 -2.30 2.97 -0.40 3.43 0.00 -0.75 -4.93 120.51 118.54 1kya n ALA 461 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 53.44 52.25 1kya n ALA 461 Cb 0.27 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.69 1kya n ALA 461 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kya n GLY 462 N 0.93 0.74 2.57 0.00 0.00 0.02 -0.71 105.19 108.73 1kya n GLY 462 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.15 2.00 -4.04 1.61 7.35 -0.67 -0.88 117.46 120.69 1kya n PHE 463 Ca 0.00 -2.45 -0.10 0.00 -0.76 0.00 0.00 57.45 54.14 1kya n PHE 463 Cb 0.00 -2.06 -0.06 0.00 0.35 0.00 0.00 39.48 37.71 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 3.11 0.05 0.11 3.13 0.00 -1.26 -2.67 121.76 124.23 1kya s ALA 464 Ca 0.53 -1.05 -0.14 0.00 0.00 0.00 0.00 51.96 51.30 1kya s ALA 464 Cb 0.14 1.13 0.02 0.00 0.00 0.00 0.00 23.12 24.42 1kya s ALA 464 CO -0.03 -0.80 0.33 0.08 0.00 0.00 0.00 175.76 175.34 1kya s VAL 465 N -4.05 0.09 -0.04 0.00 1.01 0.57 -4.28 120.40 113.70 1kya s VAL 465 Ca 0.26 -0.76 0.06 0.00 0.00 0.00 0.00 61.98 61.54 1kya s VAL 465 Cb 0.01 -1.20 -0.01 0.00 0.00 0.00 0.00 36.38 35.17 1kya s VAL 465 CO 0.10 -0.42 -0.23 -0.69 0.00 0.00 0.00 175.10 173.86 1kya s VAL 466 N -3.73 1.84 -0.31 2.92 1.01 0.83 -1.08 120.40 121.89 1kya s VAL 466 Ca 0.03 -0.97 -0.06 0.00 0.00 0.00 0.00 61.98 60.98 1kya s VAL 466 Cb 0.03 -1.55 0.02 0.00 0.00 0.00 0.00 36.38 34.88 1kya s VAL 466 CO -0.11 0.52 0.07 -0.36 0.00 0.00 0.00 175.10 175.22 1kya s PHE 467 N -0.30 3.19 -0.83 5.22 0.08 0.59 -1.18 117.98 124.74 1kya s PHE 467 Ca 0.02 -1.25 -0.20 0.00 0.12 0.00 0.00 56.93 55.63 1kya s PHE 467 Cb -0.11 -2.24 0.11 0.00 -0.57 0.00 0.00 43.02 40.21 1kya s PHE 467 CO 0.01 -0.66 1.04 0.00 -0.10 0.00 0.00 175.22 175.52 1kya s ALA 468 N 1.43 3.31 -0.23 5.36 0.00 0.94 -0.36 121.76 132.22 1kya s ALA 468 Ca 0.00 -2.49 -0.26 0.00 0.00 0.00 0.00 51.96 49.22 1kya s ALA 468 Cb -0.18 -3.95 -0.00 0.00 0.00 0.00 0.00 23.12 18.99 1kya s ALA 468 CO 0.02 -2.87 0.87 -2.00 0.00 0.00 0.00 175.76 171.78 1kya s GLU 469 N 3.02 4.22 -0.91 0.00 2.12 -0.40 -1.69 118.70 125.06 1kya s GLU 469 Ca 0.28 1.04 -0.08 0.00 0.36 0.00 0.00 54.97 56.57 1kya s GLU 469 Cb -0.10 -3.63 0.00 0.00 0.26 0.00 0.00 34.13 30.67 1kya s GLU 469 CO -0.03 -0.51 0.67 -3.47 -0.54 0.00 0.00 175.26 171.38 1kya n ASP 470 N 5.93 -5.47 -0.27 -1.70 2.03 0.14 -0.62 116.55 116.59 1kya n ASP 470 Ca 0.07 -0.83 0.08 0.00 0.52 0.00 0.00 54.79 54.63 1kya n ASP 470 Cb 0.47 -2.73 0.23 0.00 -0.72 0.00 0.00 41.12 38.37 1kya n ASP 470 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1kya h ILE 471 N -0.71 0.51 -0.48 5.18 2.04 -1.81 -2.43 117.51 119.81 1kya h ILE 471 Ca -0.52 -0.12 0.07 0.00 1.00 0.00 0.00 64.86 65.29 1kya h ILE 471 Cb 1.31 0.14 -0.06 0.00 -0.74 0.00 0.00 36.82 37.48 1kya h ILE 471 CO 0.39 0.06 0.15 -0.65 0.00 0.00 0.00 178.15 178.11 1kya h PRO 472 N 0.34 0.31 0.00 2.37 0.11 -1.91 -2.26 132.00 130.96 1kya h PRO 472 Ca 0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.56 1kya h PRO 472 Cb 0.83 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1kya h PRO 472 CO -0.51 0.20 0.00 -0.25 -0.21 0.00 0.00 178.00 177.23 1kya n ASP 473 N -5.03 0.11 -0.00 -2.05 8.00 -0.95 -4.40 116.55 112.23 1kya n ASP 473 Ca 0.05 0.51 -0.11 0.00 0.71 0.00 0.00 54.79 55.95 1kya n ASP 473 Cb 0.20 -0.54 -0.07 0.00 -0.02 0.00 0.00 41.12 40.69 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 -0.37 2.53 2.07 -1.04 0.29 116.25 119.72 1kya h VAL 474 Ca 0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 1kya h VAL 474 Cb 0.51 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.24 1kya h VAL 474 CO 0.00 0.00 0.13 0.00 0.02 0.00 0.00 177.57 177.72 1kya h ALA 475 N -0.61 0.43 -0.49 1.67 0.00 -1.77 -1.61 119.26 116.88 1kya h ALA 475 Ca 0.02 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1kya h ALA 475 Cb 0.50 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1kya h ALA 475 CO -0.32 -0.27 -0.05 0.66 0.00 0.00 0.00 179.25 179.28 1kya h SER 476 N 0.28 0.89 0.40 0.00 4.64 -1.79 -3.12 113.55 114.84 1kya h SER 476 Ca 0.17 -0.33 -0.07 0.00 -0.47 0.00 0.00 61.79 61.09 1kya h SER 476 Cb 0.15 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 61.99 1kya h SER 476 CO -0.18 1.01 -0.34 0.00 -0.87 0.00 0.00 176.83 176.45 1kya h ALA 477 N 0.91 1.36 -2.37 5.18 0.00 -0.20 -3.36 119.26 120.77 1kya h ALA 477 Ca 0.13 -0.31 -0.62 0.00 0.00 0.00 0.00 54.91 54.11 1kya h ALA 477 Cb 0.59 -0.05 -0.41 0.00 0.00 0.00 0.00 17.79 17.91 1kya h ALA 477 CO 0.04 0.42 -0.50 0.09 0.00 0.00 0.00 179.25 179.30 1kya n ASN 478 N -4.02 3.79 -4.68 0.00 4.13 -0.63 -4.34 115.26 109.52 1kya n ASN 478 Ca -0.02 -3.39 -0.44 0.00 1.68 0.00 0.00 54.58 52.41 1kya n ASN 478 Cb 0.39 -0.73 -0.03 0.00 -1.54 0.00 0.00 39.78 37.87 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 1.13 2.13 -4.46 3.52 -0.02 -1.26 -4.89 135.00 131.16 1kya n PRO 479 Ca 0.28 0.76 -0.34 0.00 -2.02 0.00 0.00 63.50 62.18 1kya n PRO 479 Cb 0.39 -2.44 -0.12 0.00 -0.02 0.00 0.00 33.50 31.31 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 0.02 3.79 0.66 -1.45 -7.23 -1.26 -4.94 120.40 109.98 1kya s VAL 480 Ca 0.68 -0.40 -0.15 0.00 -1.81 0.00 0.00 61.98 60.30 1kya s VAL 480 Cb -0.63 -2.65 0.00 0.00 0.56 0.00 0.00 36.38 33.66 1kya s VAL 480 CO 0.49 0.50 1.13 -2.16 -0.31 0.00 0.00 175.10 174.75 1kya s PRO 481 N 0.31 2.73 0.21 4.82 0.04 -1.26 -4.86 135.00 136.99 1kya s PRO 481 Ca -0.04 1.48 -0.11 0.00 0.04 0.00 0.00 61.00 62.37 1kya s PRO 481 Cb -0.14 -1.93 0.29 0.00 0.04 0.00 0.00 34.50 32.75 1kya s PRO 481 CO 0.03 -1.32 1.67 -0.56 0.04 0.00 0.00 177.00 176.86 1kya h GLN 482 N 0.09 0.12 -0.95 4.56 -0.00 -1.99 -0.55 115.11 116.39 1kya h GLN 482 Ca -0.47 -0.01 0.21 0.00 -0.00 0.00 0.00 58.65 58.38 1kya h GLN 482 Cb 1.26 -0.03 -0.08 0.00 -0.00 0.00 0.00 27.48 28.63 1kya h GLN 482 CO 0.54 0.08 0.62 0.00 -0.00 0.00 0.00 178.83 180.06 1kya h ALA 483 N 1.55 2.13 -0.31 0.06 0.00 -1.99 -0.24 119.26 120.46 1kya h ALA 483 Ca 0.32 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.15 1kya h ALA 483 Cb 0.51 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1kya h ALA 483 CO -0.51 -0.45 -0.22 2.35 0.00 0.00 0.00 179.25 180.42 1kya h TRP 484 N 0.46 0.81 0.00 0.00 7.01 -1.46 -2.59 115.95 120.19 1kya h TRP 484 Ca 0.51 -0.22 0.00 0.00 2.11 0.00 0.00 58.89 61.29 1kya h TRP 484 Cb 1.19 -0.18 0.00 0.00 -2.10 0.00 0.00 29.16 28.07 1kya h TRP 484 CO -0.00 0.94 0.00 -1.13 -2.79 0.00 0.00 178.44 175.46 1kya n SER 485 N -4.31 0.42 0.04 2.65 3.41 -0.20 -2.32 113.62 113.31 1kya n SER 485 Ca -0.03 0.60 0.03 0.00 -0.26 0.00 0.00 58.87 59.21 1kya n SER 485 Cb 0.43 -0.69 -0.07 0.00 -0.26 0.00 0.00 64.21 63.62 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 -1.96 0.77 -0.21 4.04 8.00 -0.63 -4.47 116.55 122.08 1kya n ASP 486 Ca 0.03 0.33 -0.08 0.00 0.71 0.00 0.00 54.79 55.77 1kya n ASP 486 Cb 0.21 0.38 -0.04 0.00 -0.02 0.00 0.00 41.12 41.66 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 -1.51 -0.37 0.64 4.07 -1.08 -2.56 115.31 114.51 1kya h LEU 487 Ca -0.13 0.25 -0.01 0.00 0.08 0.00 0.00 57.88 58.07 1kya h LEU 487 Cb 1.43 0.69 -0.02 0.00 1.08 0.00 0.00 40.66 43.84 1kya h LEU 487 CO 0.03 -0.33 0.21 0.00 -1.08 0.00 0.00 178.44 177.26 1kya h PRO 489 N 0.47 0.88 -0.01 0.00 0.11 -1.74 0.10 132.00 131.81 1kya h PRO 489 Ca 0.13 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 66.05 1kya h PRO 489 Cb 0.04 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 30.94 1kya h PRO 489 CO -0.02 0.58 -0.63 0.00 -0.21 0.00 0.00 178.00 177.72 1kya h THR 490 N 0.90 1.44 0.04 -1.15 1.03 -1.37 -2.83 112.91 110.98 1kya h THR 490 Ca 0.30 -2.14 -0.25 0.00 -0.01 0.00 0.00 66.41 64.31 1kya h THR 490 Cb 0.03 2.15 0.02 0.00 -1.07 0.00 0.00 68.15 69.28 1kya h THR 490 CO -0.12 0.62 -1.00 0.22 -0.01 0.00 0.00 175.52 175.22 1kya h TYR 491 N 0.03 0.93 0.00 0.00 3.20 -0.57 -3.28 116.97 117.28 1kya h TYR 491 Ca -0.01 -0.54 -0.05 0.00 3.14 0.00 0.00 58.73 61.28 1kya h TYR 491 Cb 1.12 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.29 1kya h TYR 491 CO 0.00 1.37 -0.23 -0.44 -1.64 0.00 0.00 178.16 177.23 1kya h ASP 492 N 0.23 0.00 1.17 -2.11 3.32 -0.86 -2.75 116.42 115.41 1kya h ASP 492 Ca -0.14 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.89 1kya h ASP 492 Cb 1.68 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.23 1kya h ASP 492 CO 0.20 0.23 -0.13 0.00 -1.72 0.00 0.00 179.24 177.82 1kya h ALA 493 N 1.77 0.99 -2.87 3.45 0.00 -1.56 -3.45 119.26 117.59 1kya h ALA 493 Ca -0.00 -0.12 -0.53 0.00 0.00 0.00 0.00 54.91 54.26 1kya h ALA 493 Cb 0.70 -0.02 0.10 0.00 0.00 0.00 0.00 17.79 18.56 1kya h ALA 493 CO 0.03 0.16 0.57 1.03 0.00 0.00 0.00 179.25 181.04 1kya s ARG 494 N -3.54 3.58 0.37 0.00 1.81 -1.04 -5.01 118.95 115.13 1kya s ARG 494 Ca 0.02 2.06 -0.22 0.00 -1.72 0.00 0.00 55.73 55.87 1kya s ARG 494 Cb 0.09 -2.44 -0.10 0.00 -0.45 0.00 0.00 34.95 32.04 1kya s ARG 494 CO 0.62 -0.78 0.91 -0.51 -0.68 0.00 0.00 175.30 174.85 1kya s ASP 495 N -1.03 7.05 0.28 0.23 1.01 -1.26 -4.94 116.67 118.01 1kya s ASP 495 Ca 0.65 1.67 0.07 0.00 0.71 0.00 0.00 52.55 55.65 1kya s ASP 495 Cb -0.36 -2.53 0.83 0.00 1.01 0.00 0.00 42.92 41.88 1kya s ASP 495 CO 0.44 -0.23 1.35 -2.65 0.21 0.00 0.00 175.17 174.29 1kya n PRO 496 N -0.16 -0.06 -0.07 8.23 -0.02 -1.26 -1.79 135.00 139.87 1kya n PRO 496 Ca 0.04 1.25 -0.18 0.00 -2.02 0.00 0.00 63.50 62.60 1kya n PRO 496 Cb 0.53 -2.08 -0.13 0.00 -0.02 0.00 0.00 33.50 31.80 1kya n PRO 496 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1kya n SER 497 N -5.14 1.86 -0.25 2.55 3.41 -1.26 -4.19 113.62 110.59 1kya n SER 497 Ca 0.25 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.88 1kya n SER 497 Cb 0.82 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 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 -3.30 0.07 0.00 4.04 8.00 -0.74 -4.85 116.55 119.77 1kya n ASP 498 Ca -0.38 -0.27 0.00 0.00 0.71 0.00 0.00 54.79 54.85 1kya n ASP 498 Cb 1.03 -0.03 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