#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jkt s ILE 2 N 0.00 3.04 -0.61 2.02 1.01 -0.90 -4.65 121.20 121.11 2jkt s ILE 2 Ca 0.00 0.03 0.24 0.00 0.00 0.00 0.00 60.65 60.92 2jkt s ILE 2 Cb 0.00 -3.09 0.14 0.00 0.01 0.00 0.00 42.46 39.53 2jkt s ILE 2 CO 0.00 -0.08 1.46 1.23 0.00 0.00 0.00 174.94 177.55 2jkt h GLY 3 N 18.69 0.00 -2.33 6.18 0.00 -1.45 -3.30 103.07 120.86 2jkt h GLY 3 Ca -0.27 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.08 2jkt h GLY 3 CO 1.13 0.00 0.14 -0.32 0.00 0.00 0.00 176.54 177.50 2jkt s GLY 4 N -3.75 -0.11 -0.22 4.60 0.00 -0.64 0.75 107.32 107.95 2jkt s GLY 4 Ca 0.07 -0.22 -0.11 0.00 0.00 0.00 0.00 44.72 44.46 2jkt s GLY 4 CO 0.69 -0.15 0.51 -2.27 0.00 0.00 0.00 173.10 171.88 2jkt s LEU 5 N -2.89 -0.50 0.01 0.66 2.96 -0.21 -2.44 118.68 116.27 2jkt s LEU 5 Ca 0.10 1.15 0.01 0.00 -0.22 0.00 0.00 54.13 55.17 2jkt s LEU 5 Cb -0.03 1.74 -0.01 0.00 0.50 0.00 0.00 46.19 48.38 2jkt s LEU 5 CO 0.02 -0.21 -0.03 -0.36 -1.32 0.00 0.00 176.35 174.44 2jkt s PHE 6 N 1.72 0.27 -0.07 5.38 0.08 0.11 -1.64 117.98 123.83 2jkt s PHE 6 Ca -0.08 -0.24 0.00 0.00 0.12 0.00 0.00 56.93 56.72 2jkt s PHE 6 Cb -0.08 -0.18 0.02 0.00 -0.57 0.00 0.00 43.02 42.22 2jkt s PHE 6 CO -0.15 -0.07 -0.05 0.42 -0.10 0.00 0.00 175.22 175.27 2jkt s ILE 7 N -0.65 0.67 0.22 0.64 1.01 -0.64 -0.71 121.20 121.75 2jkt s ILE 7 Ca -0.06 -0.13 0.09 0.00 0.00 0.00 0.00 60.65 60.56 2jkt s ILE 7 Cb -0.05 -0.72 -0.04 0.00 0.01 0.00 0.00 42.46 41.66 2jkt s ILE 7 CO -0.00 0.28 -0.07 -0.31 0.00 0.00 0.00 174.94 174.84 2jkt s TYR 8 N 1.37 2.62 0.69 3.97 1.51 0.27 0.08 117.35 127.87 2jkt s TYR 8 Ca -0.03 -0.23 -0.04 0.00 -1.01 0.00 0.00 57.07 55.76 2jkt s TYR 8 Cb -0.13 -1.22 0.09 0.00 -0.11 0.00 0.00 41.96 40.58 2jkt s TYR 8 CO -0.03 0.57 0.97 0.54 -1.11 0.00 0.00 175.55 176.50 2jkt s ASN 9 N -3.22 4.63 0.27 2.29 6.03 -0.98 -1.87 114.94 122.08 2jkt s ASN 9 Ca 0.28 0.06 -0.03 0.00 -1.03 0.00 0.00 52.86 52.14 2jkt s ASN 9 Cb -0.07 -0.63 0.58 0.00 -3.03 0.00 0.00 41.25 38.09 2jkt s ASN 9 CO 0.17 -1.67 1.62 1.12 -2.03 0.00 0.00 177.10 176.31 2jkt h HIS 10 N -0.50 0.04 0.00 1.54 2.07 -1.60 0.28 115.15 116.98 2jkt h HIS 10 Ca -0.41 0.06 -0.00 0.00 -2.85 0.00 0.00 60.37 57.16 2jkt h HIS 10 Cb 1.29 0.12 -0.00 0.00 2.57 0.00 0.00 27.41 31.38 2jkt h HIS 10 CO 0.04 -0.28 -0.02 0.87 -3.07 0.00 0.00 177.93 175.47 2jkt h LYS 11 N 0.11 0.00 0.00 5.12 1.57 -1.93 -3.46 116.57 117.98 2jkt h LYS 11 Ca 0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.27 2jkt h LYS 11 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.24 2jkt h LYS 11 CO -0.73 0.02 0.00 0.41 -0.57 0.00 0.00 179.45 178.58 2jkt n GLY 12 N -1.30 0.95 3.78 3.86 0.00 0.99 -5.05 105.19 108.42 2jkt n GLY 12 Ca -0.03 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 2jkt n GLY 12 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jkt s GLU 13 N -0.67 4.52 -0.21 1.61 2.02 -1.26 -4.83 118.70 119.88 2jkt s GLU 13 Ca 0.00 1.36 -0.28 0.00 0.02 0.00 0.00 54.97 56.08 2jkt s GLU 13 Cb 0.00 -2.76 0.00 0.00 0.10 0.00 0.00 34.13 31.47 2jkt s GLU 13 CO 0.00 0.21 0.96 0.08 0.02 0.00 0.00 175.26 176.53 2jkt s VAL 14 N -1.62 4.75 -0.21 2.63 1.01 -1.26 -2.33 120.40 123.36 2jkt s VAL 14 Ca 0.51 1.87 -0.21 0.00 0.00 0.00 0.00 61.98 64.16 2jkt s VAL 14 Cb -0.19 -4.24 -0.19 0.00 0.00 0.00 0.00 36.38 31.76 2jkt s VAL 14 CO 0.24 -0.11 0.18 0.18 0.00 0.00 0.00 175.10 175.59 2jkt n LEU 15 N 6.00 1.86 -4.08 3.92 4.77 0.11 -4.99 117.00 124.60 2jkt n LEU 15 Ca 0.09 0.42 -0.20 0.00 -0.03 0.00 0.00 56.01 56.29 2jkt n LEU 15 Cb 0.47 -0.96 -0.14 0.00 -2.33 0.00 0.00 43.42 40.46 2jkt n LEU 15 CO 0.50 0.29 -0.45 -0.63 -1.33 0.00 0.00 177.39 175.77 2jkt s ILE 16 N -2.37 0.93 -0.06 -0.08 1.01 -1.13 -4.98 121.20 114.52 2jkt s ILE 16 Ca -0.29 -0.65 -0.02 0.00 0.00 0.00 0.00 60.65 59.68 2jkt s ILE 16 Cb 0.06 -0.81 0.04 0.00 0.01 0.00 0.00 42.46 41.77 2jkt s ILE 16 CO 0.58 0.15 0.12 -0.55 0.00 0.00 0.00 174.94 175.25 2jkt s SER 17 N -0.57 0.26 -0.21 3.58 0.15 -1.26 -1.61 113.70 114.04 2jkt s SER 17 Ca 0.03 0.25 -0.04 0.00 0.70 0.00 0.00 55.95 56.89 2jkt s SER 17 Cb -0.06 0.14 0.09 0.00 -1.71 0.00 0.00 66.02 64.49 2jkt s SER 17 CO 0.00 -0.18 0.19 -0.13 1.20 0.00 0.00 173.24 174.32 2jkt s ARG 18 N 1.55 0.17 -0.13 5.44 1.81 -0.65 -5.00 118.95 122.13 2jkt s ARG 18 Ca -0.05 0.07 -0.08 0.00 -1.72 0.00 0.00 55.73 53.95 2jkt s ARG 18 Cb -0.12 -1.33 -0.04 0.00 -0.45 0.00 0.00 34.95 33.00 2jkt s ARG 18 CO -0.05 -0.70 0.15 0.08 -0.68 0.00 0.00 175.30 174.10 2jkt s VAL 19 N 2.27 5.46 0.00 3.52 1.01 -1.26 -1.04 120.40 130.35 2jkt s VAL 19 Ca 0.06 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.28 2jkt s VAL 19 Cb -0.16 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.79 2jkt s VAL 19 CO -0.14 0.58 0.63 -1.22 0.00 0.00 0.00 175.10 174.95 2jkt n TYR 20 N 2.33 0.00 -3.64 5.22 4.02 0.23 -4.95 117.16 120.36 2jkt n TYR 20 Ca -0.19 -0.19 -0.06 0.00 -0.01 0.00 0.00 57.90 57.45 2jkt n TYR 20 Cb 0.54 -0.02 -0.07 0.00 -0.02 0.00 0.00 39.34 39.77 2jkt n TYR 20 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 2jkt s ARG 21 N -0.38 0.54 0.62 -0.72 6.06 -1.18 -4.64 118.95 119.24 2jkt s ARG 21 Ca 0.00 0.85 0.29 0.00 -2.50 0.00 0.00 55.73 54.36 2jkt s ARG 21 Cb 0.00 0.15 1.52 0.00 0.06 0.00 0.00 34.95 36.69 2jkt s ARG 21 CO 0.00 -0.10 1.91 -0.44 -2.50 0.00 0.00 175.30 174.17 2jkt h ASP 22 N 5.91 0.00 -1.35 -2.12 3.32 -1.95 -3.01 116.42 117.21 2jkt h ASP 22 Ca -0.29 0.00 0.39 0.00 0.02 0.00 0.00 57.03 57.15 2jkt h ASP 22 Cb 1.20 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.69 2jkt h ASP 22 CO 0.16 0.00 1.02 0.44 -1.72 0.00 0.00 179.24 179.14 2jkt h ASP 23 N 0.00 0.00 0.00 6.45 3.32 -1.96 -3.38 116.42 120.85 2jkt h ASP 23 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 2jkt h ASP 23 Cb 0.96 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.51 2jkt h ASP 23 CO -0.00 0.00 0.00 -0.38 -1.72 0.00 0.00 179.24 177.14 2jkt n ILE 24 N -4.00 0.00 -0.13 0.35 2.08 -1.14 -4.99 119.36 111.53 2jkt n ILE 24 Ca 0.30 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.61 2jkt n ILE 24 Cb 1.45 -0.12 0.00 0.00 -0.75 0.00 0.00 39.64 40.22 2jkt n ILE 24 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2jkt n GLY 25 N 3.86 -3.59 0.44 7.39 0.00 -1.26 -4.33 105.19 107.70 2jkt n GLY 25 Ca 0.00 -1.95 0.24 0.00 0.00 0.00 0.00 46.02 44.31 2jkt n GLY 25 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2jkt h ARG 26 N 0.00 0.00 0.00 1.61 9.65 -1.99 -3.19 114.38 120.46 2jkt h ARG 26 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2jkt h ARG 26 Cb 0.00 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 2jkt h ARG 26 CO 0.00 0.00 0.00 0.09 2.80 0.00 0.00 179.97 182.86 2jkt n ASN 27 N -3.60 0.00 -4.57 -3.80 3.02 -1.26 -3.77 115.26 101.28 2jkt n ASN 27 Ca 0.13 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.45 2jkt n ASN 27 Cb 0.91 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 40.02 2jkt n ASN 27 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jkt s ALA 28 N -2.67 1.33 0.00 5.41 0.00 -1.21 -2.44 121.76 122.19 2jkt s ALA 28 Ca 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 51.96 50.41 2jkt s ALA 28 Cb 0.00 -4.62 0.00 0.00 0.00 0.00 0.00 23.12 18.50 2jkt s ALA 28 CO 0.00 -5.46 0.00 1.55 0.00 0.00 0.00 175.76 171.85 2jkt n VAL 29 N 8.21 0.00 0.04 0.00 3.14 -1.26 -4.78 118.33 123.68 2jkt n VAL 29 Ca 0.43 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.71 2jkt n VAL 29 Cb 0.46 0.00 0.03 0.00 -1.06 0.00 0.00 33.84 33.27 2jkt n VAL 29 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 2jkt h ASP 30 N 0.00 0.52 -0.39 6.55 3.58 -1.59 -1.78 116.42 123.31 2jkt h ASP 30 Ca 0.00 -0.33 0.08 0.00 0.42 0.00 0.00 57.03 57.20 2jkt h ASP 30 Cb 0.00 -0.15 -0.08 0.00 1.72 0.00 0.00 39.33 40.82 2jkt h ASP 30 CO 0.00 1.06 -0.13 0.00 -2.88 0.00 0.00 179.24 177.29 2jkt h ALA 31 N 0.93 0.21 -0.23 -0.78 0.00 -1.73 0.55 119.26 118.20 2jkt h ALA 31 Ca -0.02 0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.86 2jkt h ALA 31 Cb 1.26 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.41 2jkt h ALA 31 CO 0.12 -0.49 -0.55 0.35 0.00 0.00 0.00 179.25 178.68 2jkt h PHE 32 N -0.04 1.00 0.34 0.00 3.57 -1.84 -3.03 116.94 116.94 2jkt h PHE 32 Ca 0.19 -0.38 -0.00 0.00 3.53 0.00 0.00 57.97 61.31 2jkt h PHE 32 Cb 0.33 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 2jkt h PHE 32 CO -0.37 1.19 -0.33 -0.09 -2.23 0.00 0.00 178.31 176.47 2jkt h ARG 33 N 0.53 -0.68 -0.38 1.11 2.43 -0.47 0.16 114.38 117.08 2jkt h ARG 33 Ca -0.00 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2jkt h ARG 33 Cb 1.17 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.87 2jkt h ARG 33 CO 0.12 -0.45 0.00 1.55 -1.51 0.00 0.00 179.97 179.68 2jkt n VAL 34 N -5.45 0.51 0.00 0.20 3.14 0.10 -0.04 118.33 116.80 2jkt n VAL 34 Ca -0.10 -0.53 0.00 0.00 -2.96 0.00 0.00 64.34 60.75 2jkt n VAL 34 Cb 0.35 0.30 0.00 0.00 -1.06 0.00 0.00 33.84 33.43 2jkt n VAL 34 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 2jkt n ASN 35 N 0.68 3.02 -0.05 6.55 3.02 -1.13 -4.61 115.26 122.74 2jkt n ASN 35 Ca 0.14 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.58 2jkt n ASN 35 Cb 0.35 0.42 -0.04 0.00 -0.61 0.00 0.00 39.78 39.90 2jkt n ASN 35 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2jkt n VAL 36 N -1.21 0.64 -0.03 2.41 0.31 0.54 -4.37 118.33 116.63 2jkt n VAL 36 Ca 0.00 -0.13 -0.12 0.00 -0.01 0.00 0.00 64.34 64.08 2jkt n VAL 36 Cb 0.18 -1.66 -0.07 0.00 -0.91 0.00 0.00 33.84 31.37 2jkt n VAL 36 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2jkt h ILE 37 N -0.40 1.27 -1.44 2.52 2.04 -1.03 -3.07 117.51 117.41 2jkt h ILE 37 Ca -0.27 -0.86 -0.64 0.00 1.00 0.00 0.00 64.86 64.10 2jkt h ILE 37 Cb 1.20 1.67 -0.24 0.00 -0.74 0.00 0.00 36.82 38.71 2jkt h ILE 37 CO -0.16 0.24 0.79 1.41 0.00 0.00 0.00 178.15 180.43 2jkt n HIS 38 N -4.81 2.52 -2.59 1.37 8.25 0.94 -4.98 115.22 115.92 2jkt n HIS 38 Ca -0.06 -2.31 -0.38 0.00 -0.26 0.00 0.00 57.72 54.70 2jkt n HIS 38 Cb 0.21 -1.27 -0.05 0.00 1.12 0.00 0.00 29.99 30.00 2jkt n HIS 38 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jkt s ALA 39 N -3.19 3.24 0.00 -1.41 0.00 -1.16 -4.55 121.76 114.69 2jkt s ALA 39 Ca 0.54 0.72 0.00 0.00 0.00 0.00 0.00 51.96 53.22 2jkt s ALA 39 Cb 0.42 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 20.27 2jkt s ALA 39 CO -0.26 -0.07 0.00 0.54 0.00 0.00 0.00 175.76 175.97 2jkt n ARG 40 N 0.63 0.00 0.07 0.00 1.74 -1.26 -4.84 116.66 113.00 2jkt n ARG 40 Ca 0.02 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.22 2jkt n ARG 40 Cb 0.48 0.00 0.24 0.00 -1.02 0.00 0.00 32.46 32.16 2jkt n ARG 40 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2jkt n GLN 41 N -0.78 0.28 -2.39 5.56 6.02 -1.26 -4.86 117.38 119.94 2jkt n GLN 41 Ca 0.00 0.12 -0.42 0.00 -0.01 0.00 0.00 57.00 56.69 2jkt n GLN 41 Cb 0.00 -1.72 -0.03 0.00 1.02 0.00 0.00 30.24 29.52 2jkt n GLN 41 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 2jkt s GLN 42 N -3.15 4.32 -0.44 -1.09 2.00 -1.26 -4.98 119.66 115.06 2jkt s GLN 42 Ca 0.08 1.75 -0.29 0.00 -2.00 0.00 0.00 55.36 54.90 2jkt s GLN 42 Cb 0.13 -3.58 0.03 0.00 0.80 0.00 0.00 33.01 30.39 2jkt s GLN 42 CO 0.69 -0.50 1.14 0.14 -0.50 0.00 0.00 175.29 176.26 2jkt s VAL 43 N 2.36 4.25 0.61 1.34 -7.23 -1.26 -4.93 120.40 115.53 2jkt s VAL 43 Ca 0.58 1.31 -0.19 0.00 -1.81 0.00 0.00 61.98 61.87 2jkt s VAL 43 Cb -0.26 -4.55 -0.03 0.00 0.56 0.00 0.00 36.38 32.10 2jkt s VAL 43 CO 0.23 -0.90 1.29 -0.13 -0.31 0.00 0.00 175.10 175.28 2jkt s ARG 44 N 4.33 2.81 0.05 4.82 0.52 -1.26 -5.05 118.95 125.17 2jkt s ARG 44 Ca 0.48 2.04 0.00 0.00 -0.52 0.00 0.00 55.73 57.74 2jkt s ARG 44 Cb -0.08 -1.97 -0.03 0.00 0.52 0.00 0.00 34.95 33.39 2jkt s ARG 44 CO 0.29 -1.39 -0.05 -1.12 0.02 0.00 0.00 175.30 173.05 2jkt s SER 45 N -1.34 0.63 0.16 0.23 0.01 -1.26 -5.09 113.70 107.04 2jkt s SER 45 Ca 0.79 -0.77 -0.15 0.00 1.31 0.00 0.00 55.95 57.12 2jkt s SER 45 Cb -0.36 0.12 0.09 0.00 0.21 0.00 0.00 66.02 66.07 2jkt s SER 45 CO 0.40 -0.41 1.76 -0.65 0.41 0.00 0.00 173.24 174.75 2jkt h PRO 46 N 3.80 0.32 -5.33 12.44 0.11 -1.94 -3.37 132.00 138.04 2jkt h PRO 46 Ca -0.34 -0.02 -0.64 0.00 0.11 0.00 0.00 66.00 65.11 2jkt h PRO 46 Cb 1.18 -0.07 -0.23 0.00 0.11 0.00 0.00 31.00 31.98 2jkt h PRO 46 CO 0.54 0.21 -0.70 0.54 -0.21 0.00 0.00 178.00 178.38 2jkt s VAL 47 N -6.15 3.57 -0.04 3.15 0.11 -1.26 -2.74 120.40 117.04 2jkt s VAL 47 Ca -0.13 -0.48 0.01 0.00 -2.93 0.00 0.00 61.98 58.45 2jkt s VAL 47 Cb 0.13 -2.54 0.02 0.00 -1.53 0.00 0.00 36.38 32.46 2jkt s VAL 47 CO 0.72 0.51 -0.02 0.42 -3.33 0.00 0.00 175.10 173.39 2jkt s THR 48 N 0.32 0.37 -0.03 5.04 -4.23 -1.12 -4.98 115.64 111.02 2jkt s THR 48 Ca -0.06 -0.03 -0.17 0.00 -1.18 0.00 0.00 61.69 60.25 2jkt s THR 48 Cb -0.15 -0.43 -0.05 0.00 1.34 0.00 0.00 72.50 73.21 2jkt s THR 48 CO 0.04 0.19 0.48 0.21 -0.54 0.00 0.00 174.62 175.00 2jkt s ASN 49 N 0.97 6.82 -0.33 3.99 3.84 -1.26 -1.95 114.94 127.01 2jkt s ASN 49 Ca -0.10 0.97 -0.01 0.00 0.21 0.00 0.00 52.86 53.93 2jkt s ASN 49 Cb -0.14 -2.29 0.13 0.00 -0.55 0.00 0.00 41.25 38.40 2jkt s ASN 49 CO -0.01 0.17 0.22 -0.63 -2.79 0.00 0.00 177.10 174.07 2jkt s ILE 50 N -0.35 -0.05 -0.21 -5.21 1.01 -0.18 -4.93 121.20 111.29 2jkt s ILE 50 Ca 0.26 -1.21 -0.01 0.00 0.00 0.00 0.00 60.65 59.69 2jkt s ILE 50 Cb -0.17 -1.00 -0.01 0.00 0.01 0.00 0.00 42.46 41.30 2jkt s ILE 50 CO 0.13 -0.81 0.18 0.00 0.00 0.00 0.00 174.94 174.45 2jkt n ALA 51 N 4.54 -0.76 -1.76 9.38 0.00 -1.26 -3.59 120.51 127.06 2jkt n ALA 51 Ca 0.05 0.02 -0.09 0.00 0.00 0.00 0.00 53.44 53.43 2jkt n ALA 51 Cb 0.41 -1.36 -0.02 0.00 0.00 0.00 0.00 19.45 18.47 2jkt n ALA 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jkt n ARG 52 N -1.77 -1.73 -4.60 0.00 1.74 -1.26 -4.93 116.66 104.11 2jkt n ARG 52 Ca -0.02 0.46 -0.29 0.00 -0.77 0.00 0.00 57.85 57.23 2jkt n ARG 52 Cb 0.52 -4.80 -0.17 0.00 -1.02 0.00 0.00 32.46 27.00 2jkt n ARG 52 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2jkt s THR 53 N -2.02 1.58 0.05 0.55 2.01 -1.24 -4.85 115.64 111.72 2jkt s THR 53 Ca 0.00 -0.71 -0.11 0.00 0.31 0.00 0.00 61.69 61.19 2jkt s THR 53 Cb 0.00 -1.42 -0.06 0.00 0.01 0.00 0.00 72.50 71.03 2jkt s THR 53 CO 0.00 0.46 0.39 -0.44 -0.69 0.00 0.00 174.62 174.33 2jkt s SER 54 N 0.84 6.67 -0.33 3.53 0.01 -0.60 -1.01 113.70 122.81 2jkt s SER 54 Ca -0.09 0.82 0.00 0.00 1.31 0.00 0.00 55.95 57.99 2jkt s SER 54 Cb -0.16 -2.19 0.10 0.00 0.21 0.00 0.00 66.02 63.99 2jkt s SER 54 CO 0.01 0.22 0.10 -0.36 0.41 0.00 0.00 173.24 173.62 2jkt s PHE 55 N -1.30 2.11 0.06 2.43 0.40 -0.82 -2.15 117.98 118.72 2jkt s PHE 55 Ca 0.30 -2.03 -0.29 0.00 -0.60 0.00 0.00 56.93 54.31 2jkt s PHE 55 Cb -0.15 -1.96 -0.05 0.00 0.51 0.00 0.00 43.02 41.38 2jkt s PHE 55 CO 0.16 -0.88 0.92 -0.06 0.70 0.00 0.00 175.22 176.06 2jkt s PHE 56 N 1.38 3.74 0.05 0.36 0.40 -0.62 -2.78 117.98 120.51 2jkt s PHE 56 Ca 0.11 1.69 -0.06 0.00 -0.60 0.00 0.00 56.93 58.07 2jkt s PHE 56 Cb -0.18 -3.02 -0.01 0.00 0.51 0.00 0.00 43.02 40.31 2jkt s PHE 56 CO -0.20 0.15 0.10 -3.38 0.70 0.00 0.00 175.22 172.59 2jkt s HIS 57 N 0.32 0.22 -0.05 0.36 -3.43 -1.11 0.35 115.29 111.96 2jkt s HIS 57 Ca 0.47 -0.56 -0.05 0.00 -0.80 0.00 0.00 55.06 54.11 2jkt s HIS 57 Cb -0.22 -0.15 0.01 0.00 -1.43 0.00 0.00 32.58 30.79 2jkt s HIS 57 CO 0.28 -0.39 0.14 0.14 -2.00 0.00 0.00 174.74 172.90 2jkt s VAL 58 N -2.91 0.01 0.12 -5.38 -7.23 -0.50 -4.87 120.40 99.65 2jkt s VAL 58 Ca -0.02 -0.06 -0.11 0.00 -1.81 0.00 0.00 61.98 59.98 2jkt s VAL 58 Cb 0.01 -0.22 -0.06 0.00 0.56 0.00 0.00 36.38 36.66 2jkt s VAL 58 CO -0.06 -0.03 0.46 -0.54 -0.31 0.00 0.00 175.10 174.62 2jkt s LYS 59 N -0.04 3.82 0.02 4.82 -0.14 -1.26 -1.50 119.74 125.45 2jkt s LYS 59 Ca -0.01 0.26 -0.00 0.00 -1.36 0.00 0.00 55.97 54.86 2jkt s LYS 59 Cb -0.02 -2.92 -0.00 0.00 -1.68 0.00 0.00 37.83 33.21 2jkt s LYS 59 CO 0.00 0.50 -0.00 -2.13 -0.76 0.00 0.00 175.35 172.96 2jkt n ARG 60 N 0.68 0.00 0.00 1.68 3.00 -0.66 -4.99 116.66 116.37 2jkt n ARG 60 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.79 2jkt n ARG 60 Cb 0.52 -0.13 0.00 0.00 0.00 0.00 0.00 32.46 32.85 2jkt n ARG 60 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2jkt n SER 61 N -2.72 0.00 -1.25 6.15 7.64 -1.26 -4.82 113.62 117.36 2jkt n SER 61 Ca -0.00 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.83 2jkt n SER 61 Cb 0.00 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.26 2jkt n SER 61 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2jkt n ASN 62 N 0.00 3.06 -4.21 6.43 3.02 -1.26 -4.80 115.26 117.49 2jkt n ASN 62 Ca 0.00 -2.39 -0.33 0.00 -0.03 0.00 0.00 54.58 51.83 2jkt n ASN 62 Cb 0.00 -0.58 -0.15 0.00 -0.61 0.00 0.00 39.78 38.43 2jkt n ASN 62 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2jkt s ILE 63 N -0.94 2.55 0.22 2.41 1.09 -1.26 -1.42 121.20 123.84 2jkt s ILE 63 Ca 0.15 -0.79 -0.25 0.00 -1.10 0.00 0.00 60.65 58.66 2jkt s ILE 63 Cb 0.12 -2.09 -0.09 0.00 -1.06 0.00 0.00 42.46 39.34 2jkt s ILE 63 CO 0.03 0.51 0.82 0.26 -0.10 0.00 0.00 174.94 176.45 2jkt s TRP 64 N 1.14 3.82 -0.15 3.97 0.52 -0.78 -1.66 118.94 125.80 2jkt s TRP 64 Ca 0.01 1.65 -0.08 0.00 0.02 0.00 0.00 56.10 57.70 2jkt s TRP 64 Cb -0.14 -2.79 0.06 0.00 -1.15 0.00 0.00 33.47 29.44 2jkt s TRP 64 CO -0.06 0.41 0.36 -0.48 0.02 0.00 0.00 176.95 177.21 2jkt s LEU 65 N -1.50 0.01 -0.02 2.99 2.34 -0.57 -0.56 118.68 121.38 2jkt s LEU 65 Ca 0.41 0.79 0.01 0.00 0.06 0.00 0.00 54.13 55.40 2jkt s LEU 65 Cb -0.21 1.17 0.01 0.00 -0.56 0.00 0.00 46.19 46.60 2jkt s LEU 65 CO 0.25 -0.19 -0.02 0.00 -1.06 0.00 0.00 176.35 175.33 2jkt s ALA 66 N 1.43 0.33 -0.04 1.48 0.00 0.11 -1.40 121.76 123.67 2jkt s ALA 66 Ca -0.09 -0.02 -0.09 0.00 0.00 0.00 0.00 51.96 51.76 2jkt s ALA 66 Cb -0.09 -0.20 -0.05 0.00 0.00 0.00 0.00 23.12 22.79 2jkt s ALA 66 CO -0.12 0.01 0.26 0.00 0.00 0.00 0.00 175.76 175.92 2jkt s ALA 67 N 0.42 3.82 -0.04 0.00 0.00 0.15 -0.71 121.76 125.40 2jkt s ALA 67 Ca -0.04 -0.50 0.06 0.00 0.00 0.00 0.00 51.96 51.48 2jkt s ALA 67 Cb -0.07 -2.12 -0.02 0.00 0.00 0.00 0.00 23.12 20.91 2jkt s ALA 67 CO -0.01 0.59 -0.22 0.08 0.00 0.00 0.00 175.76 176.21 2jkt s VAL 68 N -1.14 2.40 0.01 0.00 1.01 -1.02 -1.58 120.40 120.08 2jkt s VAL 68 Ca 0.22 -0.97 -0.02 0.00 0.00 0.00 0.00 61.98 61.21 2jkt s VAL 68 Cb -0.14 -1.88 -0.01 0.00 0.00 0.00 0.00 36.38 34.35 2jkt s VAL 68 CO 0.11 0.58 0.03 0.28 0.00 0.00 0.00 175.10 176.09 2jkt s THR 69 N -0.54 0.09 -2.11 3.92 -1.32 -0.91 -1.12 115.64 113.64 2jkt s THR 69 Ca 0.08 -0.75 0.19 0.00 -1.21 0.00 0.00 61.69 60.00 2jkt s THR 69 Cb -0.11 -0.29 0.08 0.00 -1.51 0.00 0.00 72.50 70.67 2jkt s THR 69 CO 0.00 -0.41 1.04 1.17 -2.21 0.00 0.00 174.62 174.21 2jkt n LYS 70 N 1.71 1.63 -2.95 7.08 4.81 -1.26 -1.55 118.16 127.63 2jkt n LYS 70 Ca -0.22 -1.31 -0.18 0.00 -0.87 0.00 0.00 58.31 55.72 2jkt n LYS 70 Cb 0.56 -1.37 0.03 0.00 0.02 0.00 0.00 35.03 34.27 2jkt n LYS 70 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 2jkt s GLN 71 N -1.87 2.63 -1.27 1.64 1.11 -1.26 -4.90 119.66 115.74 2jkt s GLN 71 Ca 0.19 -1.26 -0.08 0.00 0.01 0.00 0.00 55.36 54.22 2jkt s GLN 71 Cb 0.16 -2.68 0.17 0.00 -1.01 0.00 0.00 33.01 29.65 2jkt s GLN 71 CO 0.35 -0.51 1.91 -1.71 0.01 0.00 0.00 175.29 175.34 2jkt n ASN 72 N -2.04 5.53 -4.79 5.90 4.05 -1.26 -4.88 115.26 117.76 2jkt n ASN 72 Ca 0.10 -3.14 -0.30 0.00 0.45 0.00 0.00 54.58 51.69 2jkt n ASN 72 Cb 0.60 -1.45 0.09 0.00 1.23 0.00 0.00 39.78 40.25 2jkt n ASN 72 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 2jkt s VAL 73 N -0.06 3.17 -0.52 3.44 -7.23 -1.26 -4.94 120.40 113.00 2jkt s VAL 73 Ca 0.40 0.38 -0.27 0.00 -1.81 0.00 0.00 61.98 60.68 2jkt s VAL 73 Cb 0.10 -3.07 -0.03 0.00 0.56 0.00 0.00 36.38 33.94 2jkt s VAL 73 CO 0.00 -0.50 1.91 0.21 -0.31 0.00 0.00 175.10 176.42 2jkt s ASN 74 N -3.79 5.33 0.12 4.85 3.84 -1.26 -4.87 114.94 119.15 2jkt s ASN 74 Ca 0.61 0.70 -0.22 0.00 0.21 0.00 0.00 52.86 54.16 2jkt s ASN 74 Cb -0.15 -2.52 -0.06 0.00 -0.55 0.00 0.00 41.25 37.97 2jkt s ASN 74 CO 0.55 -2.26 1.70 0.00 -2.79 0.00 0.00 177.10 174.30 2jkt h ALA 75 N 14.99 0.03 -0.81 1.71 0.00 -2.01 -1.39 119.26 131.78 2jkt h ALA 75 Ca -0.28 0.05 0.18 0.00 0.00 0.00 0.00 54.91 54.86 2jkt h ALA 75 Cb 1.18 0.16 -0.11 0.00 0.00 0.00 0.00 17.79 19.01 2jkt h ALA 75 CO 1.16 -0.53 0.29 0.00 0.00 0.00 0.00 179.25 180.18 2jkt h ALA 76 N 1.03 1.18 -0.28 0.00 0.00 -2.02 -2.62 119.26 116.55 2jkt h ALA 76 Ca 0.07 0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.17 2jkt h ALA 76 Cb 0.17 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2jkt h ALA 76 CO -0.16 -0.31 0.09 1.98 0.00 0.00 0.00 179.25 180.85 2jkt h MET 77 N 0.36 0.20 0.00 0.00 -1.53 -1.65 -2.07 114.93 110.24 2jkt h MET 77 Ca 0.48 -0.01 -0.02 0.00 -3.44 0.00 0.00 59.70 56.70 2jkt h MET 77 Cb 0.84 -0.05 -0.00 0.00 -0.55 0.00 0.00 31.60 31.84 2jkt h MET 77 CO -0.50 0.14 -0.11 0.28 0.14 0.00 0.00 176.91 176.85 2jkt h VAL 78 N 0.21 0.95 -0.04 -5.77 2.07 -1.38 0.37 116.25 112.65 2jkt h VAL 78 Ca 0.12 -0.40 -0.17 0.00 0.82 0.00 0.00 66.70 67.08 2jkt h VAL 78 Cb 0.10 1.22 0.01 0.00 -1.52 0.00 0.00 31.29 31.10 2jkt h VAL 78 CO -0.13 0.11 -0.62 -0.26 0.02 0.00 0.00 177.57 176.68 2jkt h PHE 79 N 0.00 0.70 -0.88 1.57 0.05 -1.50 -0.17 116.94 116.71 2jkt h PHE 79 Ca -0.00 -0.35 0.09 0.00 3.82 0.00 0.00 57.97 61.52 2jkt h PHE 79 Cb 0.21 -0.09 -0.06 0.00 2.00 0.00 0.00 35.95 38.01 2jkt h PHE 79 CO 0.00 1.16 0.57 0.93 -0.18 0.00 0.00 178.31 180.79 2jkt h GLU 80 N 0.04 0.89 -0.09 1.51 4.39 -0.48 0.70 114.58 121.54 2jkt h GLU 80 Ca -0.07 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.51 2jkt h GLU 80 Cb 1.30 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 2jkt h GLU 80 CO 0.12 0.59 -0.23 0.35 -1.16 0.00 0.00 179.01 178.69 2jkt h PHE 81 N 0.91 0.40 -0.51 4.33 3.57 -0.34 -2.80 116.94 122.50 2jkt h PHE 81 Ca 0.40 -0.15 0.04 0.00 3.53 0.00 0.00 57.97 61.79 2jkt h PHE 81 Cb 0.34 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.98 2jkt h PHE 81 CO -0.00 0.84 0.34 -0.07 -2.23 0.00 0.00 178.31 177.19 2jkt h LEU 82 N -0.16 0.47 0.41 0.59 3.38 0.35 -0.24 115.31 120.10 2jkt h LEU 82 Ca -0.00 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2jkt h LEU 82 Cb 0.83 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2jkt h LEU 82 CO 0.05 0.32 -0.19 1.88 0.09 0.00 0.00 178.44 180.58 2jkt h TYR 83 N 0.54 -0.51 -0.53 1.13 0.05 0.34 -2.96 116.97 115.03 2jkt h TYR 83 Ca 0.21 -0.01 0.11 0.00 0.05 0.00 0.00 58.73 59.09 2jkt h TYR 83 Cb 0.17 0.17 -0.09 0.00 1.01 0.00 0.00 36.73 37.99 2jkt h TYR 83 CO -0.00 -0.20 -0.00 -0.22 -1.05 0.00 0.00 178.16 176.69 2jkt h LYS 84 N -0.79 0.11 0.00 4.88 3.64 -1.16 -0.95 116.57 122.31 2jkt h LYS 84 Ca -0.06 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2jkt h LYS 84 Cb 0.53 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 2jkt h LYS 84 CO 0.09 0.07 0.00 0.00 -2.27 0.00 0.00 179.45 177.34 2jkt h MET 85 N 0.11 0.00 0.03 1.90 -0.00 -1.03 0.47 114.93 116.42 2jkt h MET 85 Ca 0.27 0.00 -0.30 0.00 -0.00 0.00 0.00 59.70 59.67 2jkt h MET 85 Cb 0.42 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 31.98 2jkt h MET 85 CO -0.45 0.00 -1.72 0.00 -0.00 0.00 0.00 176.91 174.74 2jkt h ASP 87 N 0.01 0.09 -0.52 0.00 3.32 -0.27 -1.15 116.42 117.91 2jkt h ASP 87 Ca -0.30 -0.30 0.07 0.00 0.02 0.00 0.00 57.03 56.53 2jkt h ASP 87 Cb 2.01 -0.03 -0.06 0.00 0.22 0.00 0.00 39.33 41.47 2jkt h ASP 87 CO 0.09 0.37 0.20 0.58 -1.72 0.00 0.00 179.24 178.75 2jkt h VAL 88 N -0.18 0.83 -0.20 -1.35 2.07 -1.35 -1.01 116.25 115.05 2jkt h VAL 88 Ca 0.02 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 2jkt h VAL 88 Cb 0.32 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 2jkt h VAL 88 CO 0.00 0.07 0.03 -0.03 0.02 0.00 0.00 177.57 177.66 2jkt h MET 89 N 0.38 0.28 0.00 1.57 -1.53 -1.44 -0.50 114.93 113.70 2jkt h MET 89 Ca 0.25 -0.04 0.00 0.00 -3.44 0.00 0.00 59.70 56.48 2jkt h MET 89 Cb 0.26 -0.05 0.00 0.00 -0.55 0.00 0.00 31.60 31.26 2jkt h MET 89 CO -0.25 0.28 -0.50 0.00 0.14 0.00 0.00 176.91 176.59 2jkt n ALA 90 N -2.50 2.91 0.16 0.39 0.00 -0.46 -2.78 120.51 118.23 2jkt n ALA 90 Ca -0.00 -0.23 0.04 0.00 0.00 0.00 0.00 53.44 53.25 2jkt n ALA 90 Cb 0.16 -1.21 0.16 0.00 0.00 0.00 0.00 19.45 18.55 2jkt n ALA 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jkt h ALA 91 N 2.61 0.79 0.00 0.00 0.00 0.25 -0.51 119.26 122.40 2jkt h ALA 91 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2jkt h ALA 91 Cb 0.70 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2jkt h ALA 91 CO 0.00 0.59 -1.50 0.66 0.00 0.00 0.00 179.25 178.99 2jkt n TYR 92 N -3.36 0.31 -2.53 0.00 4.02 -0.94 -4.74 117.16 109.93 2jkt n TYR 92 Ca 0.01 0.09 -0.02 0.00 -0.01 0.00 0.00 57.90 57.97 2jkt n TYR 92 Cb 0.64 -0.58 0.08 0.00 -0.02 0.00 0.00 39.34 39.46 2jkt n TYR 92 CO 0.00 0.00 0.00 1.97 -1.01 0.00 0.00 176.86 177.82 2jkt n PHE 93 N -2.28 -1.34 0.00 -0.72 1.16 -1.12 -4.38 117.46 108.78 2jkt n PHE 93 Ca -0.01 -1.16 0.00 0.00 -1.87 0.00 0.00 57.45 54.41 2jkt n PHE 93 Cb 0.53 1.19 0.00 0.00 -1.61 0.00 0.00 39.48 39.59 2jkt n PHE 93 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2jkt n GLY 94 N -1.01 3.72 3.68 4.97 0.00 -0.20 -4.53 105.19 111.82 2jkt n GLY 94 Ca -0.14 0.11 -0.44 0.00 0.00 0.00 0.00 46.02 45.54 2jkt n GLY 94 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2jkt n LYS 95 N 14.00 2.08 -1.29 1.61 3.00 -1.26 -4.21 118.16 132.09 2jkt n LYS 95 Ca 0.00 0.74 -0.24 0.00 -0.00 0.00 0.00 58.31 58.81 2jkt n LYS 95 Cb 0.00 -2.38 -0.03 0.00 0.00 0.00 0.00 35.03 32.63 2jkt n LYS 95 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 2jkt n ILE 96 N 1.51 3.15 -1.76 3.15 -0.00 -1.26 -4.82 119.36 119.34 2jkt n ILE 96 Ca 0.10 -2.53 -0.29 0.00 -0.00 0.00 0.00 62.75 60.02 2jkt n ILE 96 Cb 0.33 -1.51 0.09 0.00 -0.00 0.00 0.00 39.64 38.54 2jkt n ILE 96 CO 0.00 0.00 0.00 -0.94 -0.00 0.00 0.00 176.55 175.61 2jkt s SER 97 N 0.29 4.56 0.60 7.28 1.04 -1.26 -4.60 113.70 121.61 2jkt s SER 97 Ca 0.50 1.01 0.38 0.00 0.48 0.00 0.00 55.95 58.33 2jkt s SER 97 Cb 0.34 -1.65 1.81 0.00 0.10 0.00 0.00 66.02 66.62 2jkt s SER 97 CO -0.14 -1.89 2.15 -0.08 0.98 0.00 0.00 173.24 174.25 2jkt h GLU 98 N -1.04 0.00 0.18 4.02 4.81 -1.94 -2.81 114.58 117.80 2jkt h GLU 98 Ca -0.47 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.75 2jkt h GLU 98 Cb 1.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.68 2jkt h GLU 98 CO 0.63 0.00 -0.09 1.49 -0.73 0.00 0.00 179.01 180.32 2jkt h GLU 99 N 0.00 -0.23 0.00 1.92 4.57 -1.96 -2.97 114.58 115.90 2jkt h GLU 99 Ca -0.00 0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 2jkt h GLU 99 Cb 0.30 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.94 2jkt h GLU 99 CO 0.00 0.17 -0.05 -0.91 -1.18 0.00 0.00 179.01 177.04 2jkt h ASN 100 N -0.88 0.00 0.27 1.04 -0.26 -1.82 -2.38 115.58 111.55 2jkt h ASN 100 Ca -0.02 0.00 -0.34 0.00 -0.56 0.00 0.00 56.30 55.38 2jkt h ASN 100 Cb 0.51 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.78 2jkt h ASN 100 CO 0.04 0.05 -1.69 0.40 -1.06 0.00 0.00 177.43 175.17 2jkt h ILE 101 N 0.00 1.00 -0.06 2.81 2.04 -1.62 -3.21 117.51 118.47 2jkt h ILE 101 Ca -0.00 -2.60 0.02 0.00 1.00 0.00 0.00 64.86 63.28 2jkt h ILE 101 Cb 0.20 2.76 -0.00 0.00 -0.74 0.00 0.00 36.82 39.03 2jkt h ILE 101 CO 0.01 0.84 0.16 0.11 0.00 0.00 0.00 178.15 179.27 2jkt h LYS 102 N 0.10 0.00 -0.21 2.37 1.57 -1.27 -2.47 116.57 116.66 2jkt h LYS 102 Ca -0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 2jkt h LYS 102 Cb 2.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.39 2jkt h LYS 102 CO 0.17 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 179.14 2jkt n ASN 103 N -3.29 2.89 -0.76 0.86 4.13 -1.00 -4.44 115.26 113.66 2jkt n ASN 103 Ca -0.01 -1.91 0.00 0.00 1.68 0.00 0.00 54.58 54.34 2jkt n ASN 103 Cb 0.24 -0.13 -0.00 0.00 -1.54 0.00 0.00 39.78 38.35 2jkt n ASN 103 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2jkt n ASN 104 N 1.17 0.16 -0.30 6.41 4.13 -0.93 -4.72 115.26 121.17 2jkt n ASN 104 Ca 0.17 -1.83 0.03 0.00 1.68 0.00 0.00 54.58 54.63 2jkt n ASN 104 Cb 0.54 -0.16 0.09 0.00 -1.54 0.00 0.00 39.78 38.72 2jkt n ASN 104 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 2jkt n PHE 105 N 0.11 0.21 0.32 3.10 3.72 -1.19 -0.98 117.46 122.75 2jkt n PHE 105 Ca -0.01 0.98 -0.13 0.00 -0.05 0.00 0.00 57.45 58.25 2jkt n PHE 105 Cb 0.77 -0.91 -0.06 0.00 -0.94 0.00 0.00 39.48 38.33 2jkt n PHE 105 CO 0.00 0.00 0.00 -0.39 -0.05 0.00 0.00 176.76 176.32 2jkt h VAL 106 N 0.00 0.00 -0.85 -4.37 -1.51 -1.92 -0.44 116.25 107.16 2jkt h VAL 106 Ca 0.35 -0.06 0.21 0.00 -1.23 0.00 0.00 66.70 65.97 2jkt h VAL 106 Cb 0.55 0.00 -0.15 0.00 -2.13 0.00 0.00 31.29 29.57 2jkt h VAL 106 CO -0.82 0.00 0.07 0.25 -1.23 0.00 0.00 177.57 175.84 2jkt h LEU 107 N -0.89 -0.28 0.56 4.19 5.85 -1.64 -0.38 115.31 122.71 2jkt h LEU 107 Ca -0.08 0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 2jkt h LEU 107 Cb 0.64 0.36 0.01 0.00 0.37 0.00 0.00 40.66 42.03 2jkt h LEU 107 CO 0.14 -0.21 -0.27 0.40 -0.34 0.00 0.00 178.44 178.16 2jkt h ILE 108 N 0.11 0.16 -0.63 4.05 2.04 -1.03 0.10 117.51 122.31 2jkt h ILE 108 Ca 0.49 -0.44 0.17 0.00 1.00 0.00 0.00 64.86 66.08 2jkt h ILE 108 Cb 0.95 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 2jkt h ILE 108 CO -0.72 0.03 0.44 1.88 0.00 0.00 0.00 178.15 179.78 2jkt h TYR 109 N -1.13 0.12 0.03 1.37 0.05 -0.51 0.32 116.97 117.21 2jkt h TYR 109 Ca -0.08 0.00 -0.24 0.00 0.05 0.00 0.00 58.73 58.46 2jkt h TYR 109 Cb 0.62 -0.04 -0.03 0.00 1.01 0.00 0.00 36.73 38.29 2jkt h TYR 109 CO 0.01 0.04 -1.21 1.49 -1.05 0.00 0.00 178.16 177.44 2jkt h GLU 110 N 0.10 0.06 -0.66 4.88 4.81 -1.06 -3.15 114.58 119.55 2jkt h GLU 110 Ca 0.30 -0.10 -0.07 0.00 -0.13 0.00 0.00 59.36 59.37 2jkt h GLU 110 Cb 1.06 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.45 2jkt h GLU 110 CO -0.03 0.94 0.14 1.25 -0.73 0.00 0.00 179.01 180.58 2jkt h LEU 111 N 0.02 1.02 0.32 1.64 7.12 0.21 -3.27 115.31 122.36 2jkt h LEU 111 Ca -0.10 -0.24 -0.02 0.00 0.13 0.00 0.00 57.88 57.65 2jkt h LEU 111 Cb 1.86 -0.27 0.00 0.00 -0.53 0.00 0.00 40.66 41.73 2jkt h LEU 111 CO 0.13 1.00 -0.15 -0.07 -0.13 0.00 0.00 178.44 179.22 2jkt h LEU 112 N 0.99 -0.36 -3.77 2.25 3.38 -0.79 -2.61 115.31 114.41 2jkt h LEU 112 Ca 0.21 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 2jkt h LEU 112 Cb 0.39 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2jkt h LEU 112 CO 0.01 -0.16 0.02 0.47 0.09 0.00 0.00 178.44 178.87 2jkt n ASP 113 N -5.22 2.43 0.00 -0.43 10.43 -1.19 -1.67 116.55 120.89 2jkt n ASP 113 Ca -0.10 -1.71 0.00 0.00 2.57 0.00 0.00 54.79 55.55 2jkt n ASP 113 Cb 0.22 -0.55 0.00 0.00 1.84 0.00 0.00 41.12 42.64 2jkt n ASP 113 CO 0.00 0.00 0.00 1.21 -1.07 0.00 0.00 177.20 177.34 2jkt n GLU 114 N 1.99 0.00 -0.20 -1.24 4.07 -1.12 -4.83 120.64 119.32 2jkt n GLU 114 Ca 0.04 0.00 0.08 0.00 -0.06 0.00 0.00 57.16 57.23 2jkt n GLU 114 Cb 0.27 -0.10 0.24 0.00 -0.06 0.00 0.00 31.44 31.79 2jkt n GLU 114 CO 0.00 0.00 0.00 1.51 -0.06 0.00 0.00 177.13 178.58 2jkt n ILE 115 N -0.78 0.53 -3.16 6.31 0.13 -0.67 -4.74 119.36 116.98 2jkt n ILE 115 Ca 0.00 -0.57 0.05 0.00 -1.10 0.00 0.00 62.75 61.13 2jkt n ILE 115 Cb 0.00 0.38 -0.02 0.00 -0.84 0.00 0.00 39.64 39.16 2jkt n ILE 115 CO 0.00 0.00 0.00 -0.22 2.80 0.00 0.00 176.55 179.13 2jkt s LEU 116 N -1.15 -0.43 -0.22 9.51 2.96 -1.03 -2.59 118.68 125.73 2jkt s LEU 116 Ca 0.32 0.28 -0.02 0.00 -0.22 0.00 0.00 54.13 54.49 2jkt s LEU 116 Cb 0.17 1.37 0.01 0.00 0.50 0.00 0.00 46.19 48.24 2jkt s LEU 116 CO 0.23 -0.08 -0.09 -0.62 -1.32 0.00 0.00 176.35 174.47 2jkt s ASP 117 N 2.93 3.99 -1.63 3.68 2.15 -0.28 -4.47 116.67 123.05 2jkt s ASP 117 Ca -0.02 -0.62 0.00 0.00 0.43 0.00 0.00 52.55 52.35 2jkt s ASP 117 Cb -0.10 -1.65 0.00 0.00 -0.30 0.00 0.00 42.92 40.88 2jkt s ASP 117 CO -0.11 -0.05 0.00 0.33 -0.17 0.00 0.00 175.17 175.17 2jkt n PHE 118 N 4.71 -0.16 -0.27 -5.34 7.35 -1.26 -1.53 117.46 120.96 2jkt n PHE 118 Ca -0.18 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.51 2jkt n PHE 118 Cb 0.49 -2.88 0.00 0.00 0.35 0.00 0.00 39.48 37.44 2jkt n PHE 118 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2jkt n GLY 119 N -1.02 0.78 3.66 7.13 0.00 -1.24 -4.56 105.19 109.95 2jkt n GLY 119 Ca -0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 2jkt n GLY 119 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jkt s TYR 120 N -2.64 3.39 0.48 1.61 4.12 -0.58 -2.11 117.35 121.62 2jkt s TYR 120 Ca 0.00 0.90 -0.23 0.00 0.02 0.00 0.00 57.07 57.76 2jkt s TYR 120 Cb 0.00 -2.76 -0.07 0.00 -1.52 0.00 0.00 41.96 37.61 2jkt s TYR 120 CO 0.00 -0.14 1.24 -1.25 0.02 0.00 0.00 175.55 175.43 2jkt s PRO 121 N 1.76 3.58 -0.11 -1.71 0.04 -1.26 -1.13 135.00 136.18 2jkt s PRO 121 Ca 0.28 1.97 0.15 0.00 0.04 0.00 0.00 61.00 63.44 2jkt s PRO 121 Cb -0.16 -2.40 0.35 0.00 0.04 0.00 0.00 34.50 32.33 2jkt s PRO 121 CO 0.10 -0.75 1.17 0.94 0.04 0.00 0.00 177.00 178.50 2jkt n GLN 122 N -0.58 0.91 -2.50 4.56 -0.06 -1.07 -4.89 117.38 113.75 2jkt n GLN 122 Ca 0.08 -2.55 -0.02 0.00 -2.00 0.00 0.00 57.00 52.51 2jkt n GLN 122 Cb 0.46 -1.01 -0.02 0.00 -4.06 0.00 0.00 30.24 25.61 2jkt n GLN 122 CO 0.00 0.00 0.00 0.27 -0.20 0.00 0.00 177.06 177.13 2jkt n ASN 123 N -0.59 -4.56 0.00 1.69 6.94 -1.26 -4.86 115.26 112.61 2jkt n ASN 123 Ca 0.13 1.40 0.00 0.00 -0.02 0.00 0.00 54.58 56.08 2jkt n ASN 123 Cb 0.81 -3.95 0.00 0.00 -2.36 0.00 0.00 39.78 34.28 2jkt n ASN 123 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 2jkt n SER 124 N 1.96 0.00 -0.73 0.53 2.88 -1.26 -4.94 113.62 112.06 2jkt n SER 124 Ca -0.14 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.31 2jkt n SER 124 Cb 0.22 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.64 2jkt n SER 124 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2jkt n GLU 125 N 0.00 -0.65 -0.73 -1.46 1.02 -1.26 -2.98 120.64 114.58 2jkt n GLU 125 Ca 0.00 0.82 -0.03 0.00 -0.02 0.00 0.00 57.16 57.93 2jkt n GLU 125 Cb 0.00 -4.72 -0.01 0.00 -0.02 0.00 0.00 31.44 26.69 2jkt n GLU 125 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2jkt n THR 126 N -2.77 0.00 -2.09 2.62 -1.04 -1.26 -4.87 114.28 104.87 2jkt n THR 126 Ca -0.09 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.49 2jkt n THR 126 Cb 0.32 -0.64 -0.03 0.00 -1.82 0.00 0.00 70.33 68.17 2jkt n THR 126 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2jkt s GLY 127 N -1.24 1.05 -1.31 3.41 0.00 -1.16 -3.41 107.32 104.66 2jkt s GLY 127 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 44.72 45.07 2jkt s GLY 127 CO 0.00 3.09 0.00 0.00 0.00 0.00 0.00 173.10 176.19 2jkt n ALA 128 N 9.17 -0.30 0.51 3.20 0.00 -1.26 -4.79 120.51 127.04 2jkt n ALA 128 Ca 0.20 0.19 0.11 0.00 0.00 0.00 0.00 53.44 53.94 2jkt n ALA 128 Cb 0.46 -1.39 0.43 0.00 0.00 0.00 0.00 19.45 18.95 2jkt n ALA 128 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jkt n LEU 129 N -2.02 0.41 -0.17 0.00 4.77 -1.22 -2.47 117.00 116.29 2jkt n LEU 129 Ca -0.13 0.59 -0.05 0.00 -0.03 0.00 0.00 56.01 56.39 2jkt n LEU 129 Cb 0.46 -0.51 0.05 0.00 -2.33 0.00 0.00 43.42 41.08 2jkt n LEU 129 CO 0.19 -0.36 1.04 0.50 -1.33 0.00 0.00 177.39 177.43 2jkt h LYS 130 N 0.00 0.54 -1.16 3.23 3.64 -1.87 0.19 116.57 121.14 2jkt h LYS 130 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2jkt h LYS 130 Cb 0.39 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2jkt h LYS 130 CO 0.00 0.36 0.00 0.25 -2.27 0.00 0.00 179.45 177.79 2jkt n THR 131 N -4.84 0.63 0.00 1.00 -2.24 -1.03 -2.40 114.28 105.39 2jkt n THR 131 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 2jkt n THR 131 Cb 0.11 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 67.55 2jkt n THR 131 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2jkt n PHE 132 N 0.54 0.00 -3.06 4.78 3.01 -0.92 -4.98 117.46 116.83 2jkt n PHE 132 Ca 0.00 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 58.02 2jkt n PHE 132 Cb 0.35 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.81 2jkt n PHE 132 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 2jkt s ILE 133 N -0.45 5.31 -0.14 4.37 -1.09 0.61 -4.86 121.20 124.96 2jkt s ILE 133 Ca 0.00 -2.82 0.00 0.00 -2.23 0.00 0.00 60.65 55.60 2jkt s ILE 133 Cb 0.00 -4.81 0.00 0.00 -1.58 0.00 0.00 42.46 36.07 2jkt s ILE 133 CO 0.00 -1.48 0.86 0.35 -1.23 0.00 0.00 174.94 173.44 2jkt n THR 134 N 4.09 0.80 -4.25 2.92 -2.24 -1.26 -4.82 114.28 109.53 2jkt n THR 134 Ca 0.32 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.96 2jkt n THR 134 Cb 0.42 -0.90 -0.10 0.00 -2.10 0.00 0.00 70.33 67.65 2jkt n THR 134 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2jkt s GLN 135 N -0.07 1.09 0.00 -0.78 2.00 -1.26 -5.14 119.66 115.50 2jkt s GLN 135 Ca 0.00 -1.50 0.00 0.00 -2.00 0.00 0.00 55.36 51.86 2jkt s GLN 135 Cb 0.00 -0.44 0.00 0.00 0.80 0.00 0.00 33.01 33.37 2jkt s GLN 135 CO 0.00 -0.04 0.00 1.04 -0.50 0.00 0.00 175.29 175.79 2jkt n GLN 136 N -0.23 0.00 0.00 1.67 1.13 -1.26 -5.01 117.38 113.68 2jkt n GLN 136 Ca -0.08 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.98 2jkt n GLN 136 Cb 0.62 -0.03 0.00 0.00 0.11 0.00 0.00 30.24 30.94 2jkt n GLN 136 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2jkt n GLY 137 N 0.51 1.05 3.46 1.08 0.00 -1.26 -5.09 105.19 104.94 2jkt n GLY 137 Ca 0.00 -0.29 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 2jkt n GLY 137 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jkt s ILE 138 N 0.00 4.56 0.94 -0.61 1.01 -1.26 -4.98 121.20 120.86 2jkt s ILE 138 Ca 0.00 -1.20 -0.13 0.00 0.00 0.00 0.00 60.65 59.32 2jkt s ILE 138 Cb 0.00 -4.78 0.16 0.00 0.01 0.00 0.00 42.46 37.85 2jkt s ILE 138 CO 0.00 -1.53 1.14 -1.59 0.00 0.00 0.00 174.94 172.96 2jkt s LYS 139 N 3.23 0.88 0.00 2.79 0.00 -1.26 -4.92 119.74 120.45 2jkt s LYS 139 Ca 0.31 0.23 0.00 0.00 0.00 0.00 0.00 55.97 56.51 2jkt s LYS 139 Cb -0.08 -1.81 0.00 0.00 0.00 0.00 0.00 37.83 35.94 2jkt s LYS 139 CO -0.05 -2.36 0.00 0.45 0.00 0.00 0.00 175.35 173.39 2jkt n SER 140 N -3.87 0.00 -3.13 0.03 2.88 -1.26 -5.10 113.62 103.17 2jkt n SER 140 Ca 0.07 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.53 2jkt n SER 140 Cb 0.59 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.06 2jkt n SER 140 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 2jkt s GLN 141 N -1.19 2.13 0.00 -1.46 0.74 -1.26 -4.52 119.66 114.09 2jkt s GLN 141 Ca 0.00 -1.36 0.00 0.00 0.05 0.00 0.00 55.36 54.05 2jkt s GLN 141 Cb 0.00 0.61 0.00 0.00 1.10 0.00 0.00 33.01 34.72 2jkt s GLN 141 CO 0.00 -0.99 0.00 -0.89 -0.55 0.00 0.00 175.29 172.86 2jkt n ILE 159 N -0.52 0.00 -3.05 -2.34 5.41 -1.26 -5.14 119.36 112.46 2jkt n ILE 159 Ca -0.07 0.00 -0.00 0.00 1.00 0.00 0.00 62.75 63.68 2jkt n ILE 159 Cb 0.60 0.00 -0.00 0.00 -0.71 0.00 0.00 39.64 39.53 2jkt n ILE 159 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2jkt n GLY 160 N 0.00 -1.31 3.82 7.39 0.00 -1.26 -4.37 105.19 109.46 2jkt n GLY 160 Ca 0.00 0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 2jkt n GLY 160 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2jkt s TRP 161 N -1.19 3.04 -0.22 1.61 0.23 -1.26 -3.93 118.94 117.22 2jkt s TRP 161 Ca -0.00 1.33 -0.05 0.00 -2.03 0.00 0.00 56.10 55.35 2jkt s TRP 161 Cb 0.00 -2.95 0.11 0.00 0.03 0.00 0.00 33.47 30.66 2jkt s TRP 161 CO 0.24 -1.39 0.41 0.50 0.96 0.00 0.00 176.95 177.67 2jkt s ARG 162 N -5.09 0.34 0.38 4.98 3.52 -1.26 -4.42 118.95 117.41 2jkt s ARG 162 Ca 0.59 0.84 -0.24 0.00 -0.13 0.00 0.00 55.73 56.78 2jkt s ARG 162 Cb -0.14 0.02 -0.12 0.00 -1.56 0.00 0.00 34.95 33.15 2jkt s ARG 162 CO 0.55 -0.42 0.76 0.54 -0.81 0.00 0.00 175.30 175.92 2jkt n ARG 163 N 5.38 0.89 -2.18 5.12 5.12 -1.26 -4.92 116.66 124.81 2jkt n ARG 163 Ca -0.06 0.32 -0.36 0.00 -1.93 0.00 0.00 57.85 55.82 2jkt n ARG 163 Cb 0.50 -1.69 0.01 0.00 -1.16 0.00 0.00 32.46 30.12 2jkt n ARG 163 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 2jkt s GLU 164 N -1.67 3.42 -1.30 5.56 2.56 -1.26 -4.06 118.70 121.95 2jkt s GLU 164 Ca 0.63 1.75 -0.05 0.00 0.00 0.00 0.00 54.97 57.30 2jkt s GLU 164 Cb -0.63 -2.15 0.01 0.00 2.00 0.00 0.00 34.13 33.36 2jkt s GLU 164 CO 0.58 -0.83 1.07 0.41 -0.56 0.00 0.00 175.26 175.93 2jkt n GLY 165 N 0.37 -0.45 3.77 -1.50 0.00 -1.26 -4.99 105.19 101.12 2jkt n GLY 165 Ca 0.10 0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.91 2jkt n GLY 165 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2jkt s ILE 166 N -3.35 3.30 -0.01 -0.61 -0.00 -1.26 -4.97 121.20 114.30 2jkt s ILE 166 Ca 0.31 1.21 0.04 0.00 -0.00 0.00 0.00 60.65 62.21 2jkt s ILE 166 Cb -0.14 -3.73 -0.01 0.00 -0.00 0.00 0.00 42.46 38.58 2jkt s ILE 166 CO 0.74 0.21 -0.13 -0.54 -0.00 0.00 0.00 174.94 175.22 2jkt s LYS 167 N -1.86 1.11 0.05 0.37 1.02 -1.26 -2.33 119.74 116.84 2jkt s LYS 167 Ca 0.50 -0.46 0.03 0.00 0.02 0.00 0.00 55.97 56.05 2jkt s LYS 167 Cb -0.32 -1.06 -0.03 0.00 -0.52 0.00 0.00 37.83 35.91 2jkt s LYS 167 CO 0.41 0.26 -0.09 0.71 -0.92 0.00 0.00 175.35 175.72 2jkt s TYR 168 N -0.24 0.79 0.00 3.18 4.12 -1.26 -4.93 117.35 119.01 2jkt s TYR 168 Ca 0.04 -0.52 0.00 0.00 0.02 0.00 0.00 57.07 56.61 2jkt s TYR 168 Cb -0.06 -0.46 0.00 0.00 -1.52 0.00 0.00 41.96 39.92 2jkt s TYR 168 CO -0.00 -0.06 0.47 2.89 0.02 0.00 0.00 175.55 178.87 2jkt n ARG 169 N 1.33 0.00 -3.63 -0.62 1.85 -1.26 -4.78 116.66 109.56 2jkt n ARG 169 Ca -0.22 0.22 -0.21 0.00 -1.00 0.00 0.00 57.85 56.64 2jkt n ARG 169 Cb 0.55 -0.97 -0.04 0.00 -1.05 0.00 0.00 32.46 30.95 2jkt n ARG 169 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2jkt s ARG 170 N -0.94 2.50 -0.44 2.89 0.52 -1.26 -5.11 118.95 117.11 2jkt s ARG 170 Ca 0.00 -1.57 -0.09 0.00 -0.52 0.00 0.00 55.73 53.55 2jkt s ARG 170 Cb 0.00 -2.33 0.10 0.00 0.52 0.00 0.00 34.95 33.23 2jkt s ARG 170 CO 0.00 -0.18 0.29 -0.80 0.02 0.00 0.00 175.30 174.63 2jkt s ASN 171 N -4.10 5.65 0.34 0.23 0.01 -1.26 -4.84 114.94 110.96 2jkt s ASN 171 Ca 0.47 -1.69 0.09 0.00 -0.71 0.00 0.00 52.86 51.02 2jkt s ASN 171 Cb -0.02 -1.99 -0.05 0.00 0.41 0.00 0.00 41.25 39.60 2jkt s ASN 171 CO 0.27 -0.60 0.05 -1.83 -1.51 0.00 0.00 177.10 173.48 2jkt s GLU 172 N 1.39 2.16 -0.18 -0.60 -1.05 -0.45 0.10 118.70 120.07 2jkt s GLU 172 Ca 0.04 -1.69 -0.18 0.00 -0.15 0.00 0.00 54.97 52.99 2jkt s GLU 172 Cb -0.24 -2.00 0.05 0.00 -0.44 0.00 0.00 34.13 31.50 2jkt s GLU 172 CO 0.01 0.13 0.51 -0.48 0.95 0.00 0.00 175.26 176.37 2jkt s LEU 173 N -3.75 0.06 0.16 1.83 0.05 -0.29 -2.13 118.68 114.60 2jkt s LEU 173 Ca 0.36 0.99 0.07 0.00 0.05 0.00 0.00 54.13 55.60 2jkt s LEU 173 Cb -0.01 1.76 -0.04 0.00 -2.05 0.00 0.00 46.19 45.85 2jkt s LEU 173 CO 0.20 -0.20 -0.02 -0.36 -0.55 0.00 0.00 176.35 175.43 2jkt s PHE 174 N 0.19 2.82 -0.30 3.48 0.40 0.25 -3.25 117.98 121.57 2jkt s PHE 174 Ca -0.01 -0.14 -0.03 0.00 -0.60 0.00 0.00 56.93 56.15 2jkt s PHE 174 Cb -0.04 -1.38 0.11 0.00 0.51 0.00 0.00 43.02 42.22 2jkt s PHE 174 CO 0.01 0.51 0.15 -0.51 0.70 0.00 0.00 175.22 176.07 2jkt s LEU 175 N -2.83 0.57 -0.26 -0.37 1.43 -0.67 -2.11 118.68 114.44 2jkt s LEU 175 Ca 0.27 -1.39 -0.16 0.00 -1.03 0.00 0.00 54.13 51.82 2jkt s LEU 175 Cb -0.10 -0.32 -0.04 0.00 0.03 0.00 0.00 46.19 45.77 2jkt s LEU 175 CO 0.18 -0.42 0.41 -1.81 0.23 0.00 0.00 176.35 174.93 2jkt s ASP 176 N 1.98 6.32 -0.58 2.29 -0.00 -0.68 -1.67 116.67 124.34 2jkt s ASP 176 Ca 0.10 0.38 -0.15 0.00 -0.00 0.00 0.00 52.55 52.88 2jkt s ASP 176 Cb -0.17 -2.23 0.14 0.00 -0.00 0.00 0.00 42.92 40.66 2jkt s ASP 176 CO -0.32 -0.19 0.53 -0.69 -0.00 0.00 0.00 175.17 174.50 2jkt s VAL 177 N 1.99 5.22 -0.33 -1.27 1.01 -0.36 -1.68 120.40 124.97 2jkt s VAL 177 Ca 0.17 -1.65 -0.11 0.00 0.00 0.00 0.00 61.98 60.40 2jkt s VAL 177 Cb -0.16 -4.33 -0.00 0.00 0.00 0.00 0.00 36.38 31.89 2jkt s VAL 177 CO 0.09 -0.89 0.18 -0.76 0.00 0.00 0.00 175.10 173.73 2jkt s LEU 178 N 1.39 4.30 -0.03 3.92 1.43 -0.19 -0.90 118.68 128.60 2jkt s LEU 178 Ca 0.05 -0.58 0.04 0.00 -1.03 0.00 0.00 54.13 52.62 2jkt s LEU 178 Cb -0.27 -2.04 -0.00 0.00 0.03 0.00 0.00 46.19 43.91 2jkt s LEU 178 CO 0.01 -0.24 -0.15 -1.61 0.23 0.00 0.00 176.35 174.59 2jkt s GLU 179 N 1.63 1.54 -0.35 1.70 2.02 -0.52 -2.90 118.70 121.82 2jkt s GLU 179 Ca 0.05 -0.54 -0.01 0.00 0.02 0.00 0.00 54.97 54.49 2jkt s GLU 179 Cb -0.17 -1.38 0.09 0.00 0.10 0.00 0.00 34.13 32.77 2jkt s GLU 179 CO 0.07 0.23 0.09 0.45 0.02 0.00 0.00 175.26 176.13 2jkt s SER 180 N 0.01 4.99 -0.08 -0.19 0.15 -0.65 0.85 113.70 118.78 2jkt s SER 180 Ca -0.02 -1.82 -0.20 0.00 0.70 0.00 0.00 55.95 54.61 2jkt s SER 180 Cb -0.10 -1.73 -0.04 0.00 -1.71 0.00 0.00 66.02 62.43 2jkt s SER 180 CO 0.01 -0.41 0.56 0.54 1.20 0.00 0.00 173.24 175.14 2jkt s VAL 181 N 1.11 5.09 0.32 4.45 0.11 -0.80 -1.58 120.40 129.09 2jkt s VAL 181 Ca 0.04 1.14 0.09 0.00 -2.93 0.00 0.00 61.98 60.32 2jkt s VAL 181 Cb -0.21 -3.89 -0.04 0.00 -1.53 0.00 0.00 36.38 30.70 2jkt s VAL 181 CO -0.04 0.34 0.08 0.20 -3.33 0.00 0.00 175.10 172.34 2jkt s ASN 182 N 0.43 4.56 -0.25 3.54 -0.87 0.11 -1.54 114.94 120.93 2jkt s ASN 182 Ca 0.30 -0.77 -0.27 0.00 -1.57 0.00 0.00 52.86 50.55 2jkt s ASN 182 Cb -0.16 -0.74 0.15 0.00 -0.02 0.00 0.00 41.25 40.47 2jkt s ASN 182 CO 0.14 -0.19 1.15 -0.22 -2.57 0.00 0.00 177.10 175.40 2jkt s LEU 183 N -3.77 -0.29 -0.26 0.60 2.96 -1.06 -2.86 118.68 114.00 2jkt s LEU 183 Ca 0.35 0.46 -0.02 0.00 -0.22 0.00 0.00 54.13 54.71 2jkt s LEU 183 Cb -0.03 1.61 0.08 0.00 0.50 0.00 0.00 46.19 48.35 2jkt s LEU 183 CO 0.21 -0.17 0.07 -0.22 -1.32 0.00 0.00 176.35 174.93 2jkt s LEU 184 N -0.39 1.76 0.05 -0.68 2.96 -0.50 -1.62 118.68 120.27 2jkt s LEU 184 Ca 0.03 -1.30 0.01 0.00 -0.22 0.00 0.00 54.13 52.65 2jkt s LEU 184 Cb -0.03 -0.75 -0.04 0.00 0.50 0.00 0.00 46.19 45.87 2jkt s LEU 184 CO -0.06 -0.37 0.11 -0.32 -1.32 0.00 0.00 176.35 174.39 2jkt s MET 185 N 1.72 3.06 0.35 1.98 1.75 -0.56 -1.37 119.30 126.24 2jkt s MET 185 Ca 0.05 -0.58 -0.17 0.00 -1.25 0.00 0.00 55.69 53.75 2jkt s MET 185 Cb -0.17 -2.84 -0.10 0.00 2.84 0.00 0.00 34.83 34.56 2jkt s MET 185 CO -0.19 0.60 0.80 0.45 -0.65 0.00 0.00 175.02 176.03 2jkt s SER 186 N -2.25 6.82 0.35 1.11 0.15 0.96 -0.70 113.70 120.15 2jkt s SER 186 Ca 0.29 1.40 0.14 0.00 0.70 0.00 0.00 55.95 58.48 2jkt s SER 186 Cb -0.12 -2.42 0.99 0.00 -1.71 0.00 0.00 66.02 62.75 2jkt s SER 186 CO 0.21 -0.25 1.74 -0.65 1.20 0.00 0.00 173.24 175.50 2jkt h PRO 187 N 2.15 0.48 -0.00 5.44 0.11 -1.90 0.93 132.00 139.21 2jkt h PRO 187 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2jkt h PRO 187 Cb 1.18 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2jkt h PRO 187 CO 0.64 0.32 -0.01 1.04 -0.21 0.00 0.00 178.00 179.78 2jkt n GLN 188 N -4.78 0.34 0.00 1.05 3.00 -1.26 -4.56 117.38 111.17 2jkt n GLN 188 Ca 0.27 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.25 2jkt n GLN 188 Cb 0.82 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.56 2jkt n GLN 188 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2jkt n GLY 189 N 1.33 1.11 3.71 1.08 0.00 0.32 -5.08 105.19 107.65 2jkt n GLY 189 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 2jkt n GLY 189 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jkt s GLN 190 N -0.67 4.35 -0.59 1.61 -1.52 -1.23 -4.73 119.66 116.87 2jkt s GLN 190 Ca 0.00 1.93 -0.28 0.00 -1.95 0.00 0.00 55.36 55.06 2jkt s GLN 190 Cb 0.00 -3.37 0.03 0.00 -0.22 0.00 0.00 33.01 29.45 2jkt s GLN 190 CO 0.00 -0.41 1.21 0.08 -0.25 0.00 0.00 175.29 175.92 2jkt s VAL 191 N 1.43 3.98 -0.27 1.09 1.01 -1.26 -0.03 120.40 126.36 2jkt s VAL 191 Ca 0.62 0.86 0.18 0.00 0.00 0.00 0.00 61.98 63.64 2jkt s VAL 191 Cb -0.33 -4.74 0.17 0.00 0.00 0.00 0.00 36.38 31.48 2jkt s VAL 191 CO 0.29 -1.39 1.49 -0.07 0.00 0.00 0.00 175.10 175.42 2jkt h LEU 192 N 12.05 0.00 -7.00 3.92 3.38 -1.58 -3.48 115.31 122.60 2jkt h LEU 192 Ca -0.25 0.00 0.24 0.00 0.09 0.00 0.00 57.88 57.96 2jkt h LEU 192 Cb 1.06 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 41.52 2jkt h LEU 192 CO 1.20 0.30 0.96 -0.94 0.09 0.00 0.00 178.44 180.04 2jkt s SER 193 N -6.33 -0.03 -0.29 -0.43 1.04 -1.21 -4.99 113.70 101.46 2jkt s SER 193 Ca 0.05 0.04 -0.27 0.00 0.48 0.00 0.00 55.95 56.25 2jkt s SER 193 Cb 0.07 0.03 0.19 0.00 0.10 0.00 0.00 66.02 66.40 2jkt s SER 193 CO 0.72 -0.02 1.40 0.00 0.98 0.00 0.00 173.24 176.31 2jkt s ALA 194 N -0.89 -2.17 -0.08 5.32 0.00 -1.26 -1.40 121.76 121.27 2jkt s ALA 194 Ca 0.09 1.77 -0.27 0.00 0.00 0.00 0.00 51.96 53.55 2jkt s ALA 194 Cb -0.01 -1.65 0.06 0.00 0.00 0.00 0.00 23.12 21.51 2jkt s ALA 194 CO -0.09 -0.16 0.62 -3.38 0.00 0.00 0.00 175.76 172.74 2jkt s HIS 195 N -0.42 -0.59 -0.19 0.00 -3.43 -1.14 -4.74 115.29 104.78 2jkt s HIS 195 Ca 0.08 1.11 -0.10 0.00 -0.80 0.00 0.00 55.06 55.35 2jkt s HIS 195 Cb -0.03 0.33 -0.05 0.00 -1.43 0.00 0.00 32.58 31.40 2jkt s HIS 195 CO -0.12 -0.52 0.15 0.08 -2.00 0.00 0.00 174.74 172.32 2jkt s VAL 196 N -0.92 5.41 -0.13 -5.38 1.01 -0.50 -0.71 120.40 119.18 2jkt s VAL 196 Ca -0.09 0.23 -0.15 0.00 0.00 0.00 0.00 61.98 61.96 2jkt s VAL 196 Cb -0.02 -3.48 -0.05 0.00 0.00 0.00 0.00 36.38 32.84 2jkt s VAL 196 CO 0.07 0.45 0.37 -0.44 0.00 0.00 0.00 175.10 175.55 2jkt s SER 197 N 0.27 6.56 0.50 3.32 0.01 -0.61 -2.53 113.70 121.21 2jkt s SER 197 Ca 0.09 0.66 0.05 0.00 1.31 0.00 0.00 55.95 58.06 2jkt s SER 197 Cb -0.11 -2.22 0.05 0.00 0.21 0.00 0.00 66.02 63.94 2jkt s SER 197 CO -0.01 0.09 0.41 0.61 0.41 0.00 0.00 173.24 174.74 2jkt n GLY 198 N 3.19 2.70 0.00 3.44 0.00 -0.44 -1.64 105.19 112.44 2jkt n GLY 198 Ca -0.10 -2.28 0.00 0.00 0.00 0.00 0.00 46.02 43.63 2jkt n GLY 198 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2jkt n ARG 199 N -1.72 0.00 -3.77 1.61 0.63 -1.14 -3.88 116.66 108.39 2jkt n ARG 199 Ca -0.00 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.56 2jkt n ARG 199 Cb 0.57 0.00 -0.11 0.00 0.45 0.00 0.00 32.46 33.36 2jkt n ARG 199 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 2jkt s VAL 200 N 0.00 3.31 0.07 5.15 1.01 -0.11 -1.02 120.40 128.81 2jkt s VAL 200 Ca 0.00 -2.06 -0.18 0.00 0.00 0.00 0.00 61.98 59.74 2jkt s VAL 200 Cb 0.00 -3.27 -0.07 0.00 0.00 0.00 0.00 36.38 33.04 2jkt s VAL 200 CO 0.00 -0.70 0.54 -0.69 0.00 0.00 0.00 175.10 174.25 2jkt s VAL 201 N 1.13 4.80 -0.13 2.92 1.01 -0.68 -2.18 120.40 127.28 2jkt s VAL 201 Ca 0.08 1.11 0.01 0.00 0.00 0.00 0.00 61.98 63.18 2jkt s VAL 201 Cb -0.23 -3.85 0.02 0.00 0.00 0.00 0.00 36.38 32.32 2jkt s VAL 201 CO -0.04 0.53 -0.14 -0.32 0.00 0.00 0.00 175.10 175.13 2jkt s MET 202 N -1.19 2.18 -0.33 2.72 1.75 -0.61 -1.69 119.30 122.14 2jkt s MET 202 Ca 0.29 -0.52 -0.11 0.00 -1.25 0.00 0.00 55.69 54.10 2jkt s MET 202 Cb -0.19 -1.98 -0.01 0.00 2.84 0.00 0.00 34.83 35.50 2jkt s MET 202 CO 0.18 -0.19 0.19 0.21 -0.65 0.00 0.00 175.02 174.77 2jkt s LYS 203 N 1.36 3.37 -0.31 4.11 2.20 -0.90 -1.68 119.74 127.89 2jkt s LYS 203 Ca 0.01 -0.71 0.02 0.00 -0.36 0.00 0.00 55.97 54.93 2jkt s LYS 203 Cb -0.13 -3.67 0.09 0.00 -1.51 0.00 0.00 37.83 32.61 2jkt s LYS 203 CO -0.08 -0.45 0.04 -1.54 -0.36 0.00 0.00 175.35 172.97 2jkt s SER 204 N 1.65 4.37 -1.08 1.43 1.04 0.15 0.85 113.70 122.12 2jkt s SER 204 Ca 0.05 -1.79 -0.08 0.00 0.48 0.00 0.00 55.95 54.60 2jkt s SER 204 Cb -0.17 -1.32 0.27 0.00 0.10 0.00 0.00 66.02 64.89 2jkt s SER 204 CO 0.08 -0.36 1.06 -0.31 0.98 0.00 0.00 173.24 174.70 2jkt s TYR 205 N 1.21 4.22 0.03 5.02 4.12 -0.91 -0.94 117.35 130.09 2jkt s TYR 205 Ca 0.07 -2.73 0.01 0.00 0.02 0.00 0.00 57.07 54.43 2jkt s TYR 205 Cb -0.19 -3.75 -0.02 0.00 -1.52 0.00 0.00 41.96 36.48 2jkt s TYR 205 CO -0.13 -0.92 -0.05 -0.48 0.02 0.00 0.00 175.55 174.00 2jkt s LEU 206 N -1.26 2.25 0.17 -1.29 2.34 -1.24 -1.34 118.68 118.31 2jkt s LEU 206 Ca 0.30 -0.52 0.03 0.00 0.06 0.00 0.00 54.13 54.00 2jkt s LEU 206 Cb -0.10 0.02 -0.03 0.00 -0.56 0.00 0.00 46.19 45.52 2jkt s LEU 206 CO -0.09 -0.27 0.31 -0.94 -1.06 0.00 0.00 176.35 174.30 2jkt s SER 207 N -1.50 6.34 0.00 1.48 1.04 -1.26 -4.91 113.70 114.88 2jkt s SER 207 Ca -0.14 0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.45 2jkt s SER 207 Cb -0.10 -1.90 0.00 0.00 0.10 0.00 0.00 66.02 64.12 2jkt s SER 207 CO -0.01 0.02 0.00 0.61 0.98 0.00 0.00 173.24 174.84 2jkt n GLY 208 N -0.75 -1.80 2.85 7.32 0.00 -0.98 -4.63 105.19 107.19 2jkt n GLY 208 Ca -0.07 -1.83 -0.29 0.00 0.00 0.00 0.00 46.02 43.82 2jkt n GLY 208 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2jkt n MET 209 N 0.00 2.12 -3.35 1.61 0.00 -1.26 -4.64 117.12 111.60 2jkt n MET 209 Ca 0.00 -4.53 -0.38 0.00 -0.00 0.00 0.00 57.70 52.79 2jkt n MET 209 Cb 0.00 -2.31 -0.07 0.00 0.00 0.00 0.00 33.22 30.84 2jkt n MET 209 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 2jkt s PRO 210 N -1.66 4.22 -0.36 2.12 0.05 -1.26 -4.76 135.00 133.35 2jkt s PRO 210 Ca 0.28 0.29 -0.19 0.00 0.05 0.00 0.00 61.00 61.43 2jkt s PRO 210 Cb -0.01 -3.51 0.00 0.00 0.05 0.00 0.00 34.50 31.03 2jkt s PRO 210 CO -0.13 0.01 0.56 -2.00 0.05 0.00 0.00 177.00 175.49 2jkt s GLU 211 N 1.15 3.58 -0.06 4.56 2.12 0.27 -4.15 118.70 126.17 2jkt s GLU 211 Ca 0.21 -0.14 0.00 0.00 0.36 0.00 0.00 54.97 55.41 2jkt s GLU 211 Cb -0.15 -3.83 -0.03 0.00 0.26 0.00 0.00 34.13 30.38 2jkt s GLU 211 CO 0.08 -0.72 -0.05 0.00 -0.54 0.00 0.00 175.26 174.04 2jkt s LYS 213 N -0.93 3.60 -0.43 0.00 2.20 0.82 -2.48 119.74 122.52 2jkt s LYS 213 Ca 0.13 -0.04 0.02 0.00 -0.36 0.00 0.00 55.97 55.72 2jkt s LYS 213 Cb -0.11 -3.07 0.15 0.00 -1.51 0.00 0.00 37.83 33.29 2jkt s LYS 213 CO 0.03 0.64 0.28 0.12 -0.36 0.00 0.00 175.35 176.05 2jkt s PHE 214 N -1.31 1.60 0.08 4.03 5.99 -0.20 -1.27 117.98 126.90 2jkt s PHE 214 Ca 0.28 -2.27 -0.29 0.00 0.00 0.00 0.00 56.93 54.65 2jkt s PHE 214 Cb -0.13 -1.49 -0.05 0.00 0.00 0.00 0.00 43.02 41.34 2jkt s PHE 214 CO 0.16 -0.78 0.94 0.20 -0.00 0.00 0.00 175.22 175.74 2jkt s GLY 215 N 0.31 2.96 0.31 13.12 0.00 -0.43 -3.51 107.32 120.09 2jkt s GLY 215 Ca 0.22 0.53 0.03 0.00 0.00 0.00 0.00 44.72 45.50 2jkt s GLY 215 CO -0.05 1.45 0.09 -3.16 0.00 0.00 0.00 173.10 171.43 2jkt s MET 216 N 0.19 1.61 0.02 2.90 0.23 -1.26 -0.81 119.30 122.18 2jkt s MET 216 Ca 0.47 -1.90 -0.00 0.00 -1.03 0.00 0.00 55.69 53.22 2jkt s MET 216 Cb -0.22 -0.60 0.00 0.00 -1.53 0.00 0.00 34.83 32.48 2jkt s MET 216 CO 0.29 -0.28 0.03 0.27 -2.03 0.00 0.00 175.02 173.30 2jkt n ASN 217 N -0.71 -0.04 0.00 -1.18 6.94 -1.05 -4.35 115.26 114.86 2jkt n ASN 217 Ca -0.02 -0.99 0.00 0.00 -0.02 0.00 0.00 54.58 53.55 2jkt n ASN 217 Cb 0.66 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 38.06 2jkt n ASN 217 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 2jkt n ASP 218 N -3.02 0.00 0.00 0.53 -0.08 -1.26 -4.67 116.55 108.05 2jkt n ASP 218 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 2jkt n ASP 218 Cb 0.01 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.47 2jkt n ASP 218 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2jkt n LYS 219 N 0.00 0.00 -4.10 -0.67 4.01 -1.26 -4.91 118.16 111.23 2jkt n LYS 219 Ca 0.00 0.00 -0.14 0.00 -0.51 0.00 0.00 58.31 57.66 2jkt n LYS 219 Cb 0.00 -3.44 -0.12 0.00 -0.51 0.00 0.00 35.03 30.96 2jkt n LYS 219 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 2jkt s ILE 220 N -1.42 0.51 0.04 -0.18 1.01 -1.26 -4.89 121.20 115.01 2jkt s ILE 220 Ca 0.00 -0.81 -0.00 0.00 0.00 0.00 0.00 60.65 59.83 2jkt s ILE 220 Cb 0.00 -0.54 -0.03 0.00 0.01 0.00 0.00 42.46 41.90 2jkt s ILE 220 CO 0.00 -0.22 -0.03 -0.69 0.00 0.00 0.00 174.94 174.00 2jkt s VAL 221 N -0.97 0.19 0.30 2.92 1.01 -1.26 -5.15 120.40 117.44 2jkt s VAL 221 Ca -0.06 -1.39 -0.29 0.00 0.00 0.00 0.00 61.98 60.24 2jkt s VAL 221 Cb -0.07 -0.94 -0.10 0.00 0.00 0.00 0.00 36.38 35.27 2jkt s VAL 221 CO 0.00 -0.76 1.13 -0.63 0.00 0.00 0.00 175.10 174.84 2jkt s ILE 222 N -2.75 3.38 0.35 2.22 1.09 -1.26 -4.82 121.20 119.41 2jkt s ILE 222 Ca -0.04 1.35 -0.11 0.00 -1.10 0.00 0.00 60.65 60.76 2jkt s ILE 222 Cb -0.01 -3.84 0.04 0.00 -1.06 0.00 0.00 42.46 37.59 2jkt s ILE 222 CO -0.06 0.29 0.65 -0.62 -0.10 0.00 0.00 174.94 175.11 2jkt n GLU 232 N 0.98 0.94 -4.07 2.79 -0.58 -1.26 -5.02 120.64 114.43 2jkt n GLU 232 Ca -0.00 -2.12 -0.17 0.00 -0.42 0.00 0.00 57.16 54.45 2jkt n GLU 232 Cb 0.45 2.49 -0.15 0.00 -0.57 0.00 0.00 31.44 33.65 2jkt n GLU 232 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 2jkt s THR 233 N -2.32 0.33 -0.82 2.62 -4.23 -1.26 -5.08 115.64 104.88 2jkt s THR 233 Ca 0.17 -0.08 -0.25 0.00 -1.18 0.00 0.00 61.69 60.35 2jkt s THR 233 Cb -0.04 -0.35 -0.04 0.00 1.34 0.00 0.00 72.50 73.41 2jkt s THR 233 CO 0.13 0.14 1.93 -0.94 -0.54 0.00 0.00 174.62 175.34 2jkt s SER 234 N 0.52 5.16 0.00 3.99 1.04 -1.26 -4.66 113.70 118.50 2jkt s SER 234 Ca -0.06 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 55.99 2jkt s SER 234 Cb -0.09 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.48 2jkt s SER 234 CO -0.01 -2.66 0.00 1.17 0.98 0.00 0.00 173.24 172.73 2jkt n LYS 235 N 8.95 0.00 -4.16 4.02 4.81 -1.26 -4.91 118.16 125.60 2jkt n LYS 235 Ca 0.35 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.65 2jkt n LYS 235 Cb 0.48 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.46 2jkt n LYS 235 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 2jkt s SER 236 N 0.00 0.60 0.00 3.14 0.01 -1.26 -5.16 113.70 111.03 2jkt s SER 236 Ca 0.00 -1.42 0.00 0.00 1.31 0.00 0.00 55.95 55.84 2jkt s SER 236 Cb 0.00 0.51 0.00 0.00 0.21 0.00 0.00 66.02 66.74 2jkt s SER 236 CO 0.00 -1.03 0.00 0.61 0.41 0.00 0.00 173.24 173.23 2jkt n GLY 237 N -0.42 2.86 3.40 3.44 0.00 -1.26 -5.04 105.19 108.17 2jkt n GLY 237 Ca 0.02 -1.93 0.02 0.00 0.00 0.00 0.00 46.02 44.13 2jkt n GLY 237 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jkt s LYS 238 N -3.07 0.17 -1.40 1.61 2.20 -1.26 -4.87 119.74 113.12 2jkt s LYS 238 Ca 0.00 0.38 -0.10 0.00 -0.36 0.00 0.00 55.97 55.89 2jkt s LYS 238 Cb 0.00 0.17 0.03 0.00 -1.51 0.00 0.00 37.83 36.53 2jkt s LYS 238 CO 0.00 -0.05 1.10 1.04 -0.36 0.00 0.00 175.35 177.08 2jkt n GLN 239 N 4.30 -7.09 -3.79 4.03 6.02 -1.26 -5.02 117.38 114.57 2jkt n GLN 239 Ca -0.11 0.75 -0.13 0.00 -0.01 0.00 0.00 57.00 57.51 2jkt n GLN 239 Cb 0.55 -5.75 -0.12 0.00 1.02 0.00 0.00 30.24 25.95 2jkt n GLN 239 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2jkt s SER 240 N -3.41 -0.24 -0.19 1.08 1.04 -1.26 -5.14 113.70 105.58 2jkt s SER 240 Ca 0.56 0.47 -0.22 0.00 0.48 0.00 0.00 55.95 57.24 2jkt s SER 240 Cb -0.26 0.47 -0.02 0.00 0.10 0.00 0.00 66.02 66.31 2jkt s SER 240 CO 0.76 -0.08 0.70 -0.63 0.98 0.00 0.00 173.24 174.97 2jkt s ILE 241 N 0.14 4.98 -0.33 -1.02 1.09 -1.26 -4.97 121.20 119.82 2jkt s ILE 241 Ca -0.00 1.33 -0.29 0.00 -1.10 0.00 0.00 60.65 60.59 2jkt s ILE 241 Cb -0.02 -4.01 0.01 0.00 -1.06 0.00 0.00 42.46 37.39 2jkt s ILE 241 CO 0.00 0.09 1.19 0.00 -0.10 0.00 0.00 174.94 176.12 2jkt s ALA 242 N 1.97 3.39 -0.15 9.38 0.00 -1.26 -5.02 121.76 130.07 2jkt s ALA 242 Ca 0.32 -0.03 -0.04 0.00 0.00 0.00 0.00 51.96 52.20 2jkt s ALA 242 Cb -0.16 -3.75 -0.03 0.00 0.00 0.00 0.00 23.12 19.18 2jkt s ALA 242 CO 0.11 -1.72 -0.01 0.96 0.00 0.00 0.00 175.76 175.10 2jkt s ILE 243 N 4.10 4.15 0.62 0.00 -5.25 -1.26 -4.90 121.20 118.66 2jkt s ILE 243 Ca 0.51 -0.27 -0.17 0.00 -0.99 0.00 0.00 60.65 59.72 2jkt s ILE 243 Cb -0.14 -2.82 -0.07 0.00 2.95 0.00 0.00 42.46 42.38 2jkt s ILE 243 CO 0.21 0.50 0.55 0.47 -1.79 0.00 0.00 174.94 174.89 2jkt n ASP 244 N 3.31 -0.98 -0.96 4.36 9.92 -1.26 -4.90 116.55 126.04 2jkt n ASP 244 Ca -0.17 0.69 0.00 0.00 -0.53 0.00 0.00 54.79 54.78 2jkt n ASP 244 Cb 0.53 -1.20 0.00 0.00 -0.64 0.00 0.00 41.12 39.81 2jkt n ASP 244 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2jkt n ASP 245 N 0.18 0.00 0.00 -2.24 4.64 -0.36 -4.96 116.55 113.81 2jkt n ASP 245 Ca 0.11 -0.96 0.00 0.00 -1.38 0.00 0.00 54.79 52.56 2jkt n ASP 245 Cb 0.48 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.56 2jkt n ASP 245 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2jkt s THR 247 N -0.69 -0.03 0.52 0.00 2.01 -0.23 -4.99 115.64 112.23 2jkt s THR 247 Ca 0.00 0.12 0.06 0.00 0.31 0.00 0.00 61.69 62.19 2jkt s THR 247 Cb 0.00 -0.05 0.03 0.00 0.01 0.00 0.00 72.50 72.49 2jkt s THR 247 CO 0.00 0.05 0.45 -0.36 -0.69 0.00 0.00 174.62 174.07 2jkt s PHE 248 N 0.61 1.79 0.62 4.92 0.40 -1.26 -1.04 117.98 124.01 2jkt s PHE 248 Ca -0.05 -0.77 -0.06 0.00 -0.60 0.00 0.00 56.93 55.45 2jkt s PHE 248 Cb -0.07 -1.99 0.02 0.00 0.51 0.00 0.00 43.02 41.48 2jkt s PHE 248 CO -0.02 -0.50 0.93 -1.58 0.70 0.00 0.00 175.22 174.76 2jkt s HIS 249 N -2.71 3.16 0.21 0.36 2.46 -0.81 -4.89 115.29 113.07 2jkt s HIS 249 Ca 0.40 0.59 -0.10 0.00 0.47 0.00 0.00 55.06 56.41 2jkt s HIS 249 Cb -0.03 -2.86 0.15 0.00 -0.13 0.00 0.00 32.58 29.72 2jkt s HIS 249 CO 0.25 -0.98 1.88 1.96 -2.47 0.00 0.00 174.74 175.38 2jkt h GLN 250 N -0.28 0.99 0.00 2.88 1.08 -1.93 -2.15 115.11 115.69 2jkt h GLN 250 Ca -0.45 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 56.69 2jkt h GLN 250 Cb 1.27 -0.22 0.00 0.00 -0.05 0.00 0.00 27.48 28.48 2jkt h GLN 250 CO 0.60 0.66 0.00 0.00 -0.95 0.00 0.00 178.83 179.14 2jkt s VAL 252 N -2.17 4.74 -0.52 0.00 1.01 -0.81 -3.04 120.40 119.61 2jkt s VAL 252 Ca 0.25 1.77 -0.19 0.00 0.00 0.00 0.00 61.98 63.81 2jkt s VAL 252 Cb 0.13 -4.23 0.06 0.00 0.00 0.00 0.00 36.38 32.35 2jkt s VAL 252 CO 0.24 -0.16 0.64 -0.13 0.00 0.00 0.00 175.10 175.68 2jkt s ARG 253 N 3.06 3.11 0.00 2.72 1.81 0.17 -4.90 118.95 124.92 2jkt s ARG 253 Ca 0.40 -0.94 0.31 0.00 -1.72 0.00 0.00 55.73 53.78 2jkt s ARG 253 Cb -0.15 -4.12 1.86 0.00 -0.45 0.00 0.00 34.95 32.09 2jkt s ARG 253 CO 0.07 -1.26 2.19 1.28 -0.68 0.00 0.00 175.30 176.91 2jkt n LEU 254 N 6.19 0.00 -0.10 2.53 4.77 -1.26 -2.45 117.00 126.68 2jkt n LEU 254 Ca -0.07 0.01 -0.00 0.00 -0.03 0.00 0.00 56.01 55.92 2jkt n LEU 254 Cb 0.45 -0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.54 2jkt n LEU 254 CO 0.55 -0.00 0.15 -0.24 -1.33 0.00 0.00 177.39 176.51 2jkt n SER 255 N -1.01 -0.16 -1.19 -1.43 2.88 -1.26 -2.21 113.62 109.23 2jkt n SER 255 Ca 0.23 0.43 -0.05 0.00 -1.33 0.00 0.00 58.87 58.15 2jkt n SER 255 Cb 0.11 -0.10 0.20 0.00 -0.75 0.00 0.00 64.21 63.67 2jkt n SER 255 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2jkt n LYS 256 N -4.37 1.86 0.08 -1.46 5.02 -1.26 -4.72 118.16 113.32 2jkt n LYS 256 Ca 0.03 -3.22 0.11 0.00 -2.02 0.00 0.00 58.31 53.20 2jkt n LYS 256 Cb 0.10 -1.83 0.44 0.00 -0.02 0.00 0.00 35.03 33.73 2jkt n LYS 256 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2jkt n PHE 257 N -1.12 0.56 0.66 2.13 7.35 -0.94 -0.92 117.46 125.19 2jkt n PHE 257 Ca 0.34 0.21 0.11 0.00 -0.76 0.00 0.00 57.45 57.34 2jkt n PHE 257 Cb 1.03 -0.84 0.28 0.00 0.35 0.00 0.00 39.48 40.30 2jkt n PHE 257 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 2jkt n ASP 258 N -2.00 2.68 -3.81 -2.13 8.00 -1.26 -4.17 116.55 113.87 2jkt n ASP 258 Ca 0.03 -1.89 -0.35 0.00 0.71 0.00 0.00 54.79 53.29 2jkt n ASP 258 Cb 0.25 -0.21 -0.04 0.00 -0.02 0.00 0.00 41.12 41.09 2jkt n ASP 258 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2jkt n SER 259 N 0.98 4.83 0.00 -2.24 2.88 -0.10 -4.62 113.62 115.36 2jkt n SER 259 Ca 0.18 -3.35 0.00 0.00 -1.33 0.00 0.00 58.87 54.36 2jkt n SER 259 Cb 0.48 -0.98 0.00 0.00 -0.75 0.00 0.00 64.21 62.95 2jkt n SER 259 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2jkt n GLU 260 N 1.39 0.00 0.17 -1.46 -0.58 -1.26 -3.88 120.64 115.02 2jkt n GLU 260 Ca 0.26 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.00 2jkt n GLU 260 Cb 0.37 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.24 2jkt n GLU 260 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2jkt n ARG 261 N 0.00 0.00 -2.43 3.49 5.12 -1.26 -4.83 116.66 116.75 2jkt n ARG 261 Ca 0.00 0.00 -0.07 0.00 -1.93 0.00 0.00 57.85 55.85 2jkt n ARG 261 Cb 0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.28 2jkt n ARG 261 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 2jkt n SER 262 N -3.40 -0.11 -4.59 0.55 7.64 -1.25 -3.93 113.62 108.53 2jkt n SER 262 Ca 0.00 -0.24 -0.41 0.00 1.01 0.00 0.00 58.87 59.22 2jkt n SER 262 Cb 0.00 -0.31 -0.03 0.00 -1.01 0.00 0.00 64.21 62.86 2jkt n SER 262 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2jkt s ILE 263 N -2.25 3.21 -0.24 0.44 1.09 -1.23 -4.26 121.20 117.95 2jkt s ILE 263 Ca 0.09 0.19 -0.08 0.00 -1.10 0.00 0.00 60.65 59.75 2jkt s ILE 263 Cb -0.05 -3.33 -0.04 0.00 -1.06 0.00 0.00 42.46 37.98 2jkt s ILE 263 CO 0.20 -0.24 0.09 -0.44 -0.10 0.00 0.00 174.94 174.45 2jkt s SER 264 N 8.19 5.46 0.24 3.58 0.01 -1.03 -1.03 113.70 129.11 2jkt s SER 264 Ca 0.89 -0.09 -0.05 0.00 1.31 0.00 0.00 55.95 58.02 2jkt s SER 264 Cb -0.24 -1.98 -0.02 0.00 0.21 0.00 0.00 66.02 63.99 2jkt s SER 264 CO 0.31 0.02 0.29 0.72 0.41 0.00 0.00 173.24 174.99 2jkt s PHE 265 N 1.32 0.92 -0.24 2.43 -0.12 -1.04 0.41 117.98 121.66 2jkt s PHE 265 Ca 0.05 -1.17 -0.00 0.00 -0.05 0.00 0.00 56.93 55.76 2jkt s PHE 265 Cb -0.15 -0.27 0.07 0.00 -0.63 0.00 0.00 43.02 42.04 2jkt s PHE 265 CO 0.05 -0.82 -0.00 0.42 -0.05 0.00 0.00 175.22 174.82 2jkt s ILE 266 N -3.97 1.17 0.11 -4.49 1.09 -1.17 -2.20 121.20 111.75 2jkt s ILE 266 Ca 0.33 -1.10 -0.30 0.00 -1.10 0.00 0.00 60.65 58.47 2jkt s ILE 266 Cb 0.03 -1.59 -0.06 0.00 -1.06 0.00 0.00 42.46 39.78 2jkt s ILE 266 CO 0.13 -0.24 1.13 -2.16 -0.10 0.00 0.00 174.94 173.70 2jkt s PRO 267 N 1.54 4.52 1.13 2.79 0.05 -1.26 -4.82 135.00 138.94 2jkt s PRO 267 Ca -0.01 1.71 -0.18 0.00 0.05 0.00 0.00 61.00 62.57 2jkt s PRO 267 Cb -0.18 -3.32 0.16 0.00 0.05 0.00 0.00 34.50 31.20 2jkt s PRO 267 CO -0.09 -0.08 0.20 -2.30 0.05 0.00 0.00 177.00 174.77 2jkt n PRO 268 N 3.18 -2.16 -3.19 0.56 -0.02 -1.25 -4.81 135.00 127.30 2jkt n PRO 268 Ca 0.06 -0.62 -0.34 0.00 -2.02 0.00 0.00 63.50 60.57 2jkt n PRO 268 Cb 0.47 -1.66 -0.06 0.00 -0.02 0.00 0.00 33.50 32.22 2jkt n PRO 268 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2jkt s ASP 269 N -2.01 6.87 0.45 2.55 3.68 -1.26 -4.87 116.67 122.08 2jkt s ASP 269 Ca 0.52 1.26 0.00 0.00 2.13 0.00 0.00 52.55 56.45 2jkt s ASP 269 Cb -0.10 -2.36 0.00 0.00 -1.45 0.00 0.00 42.92 39.01 2jkt s ASP 269 CO 0.56 -0.05 0.00 0.61 0.13 0.00 0.00 175.17 176.41 2jkt n GLY 270 N 0.24 1.21 3.79 2.66 0.00 -0.12 -4.79 105.19 108.18 2jkt n GLY 270 Ca -0.00 -0.72 -0.38 0.00 0.00 0.00 0.00 46.02 44.91 2jkt n GLY 270 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jkt s GLU 271 N 0.00 4.17 0.23 1.61 2.12 -1.26 0.34 118.70 125.92 2jkt s GLU 271 Ca 0.00 0.58 -0.21 0.00 0.36 0.00 0.00 54.97 55.71 2jkt s GLU 271 Cb 0.00 -3.30 0.03 0.00 0.26 0.00 0.00 34.13 31.13 2jkt s GLU 271 CO 0.00 0.49 0.64 -0.59 -0.54 0.00 0.00 175.26 175.26 2jkt s PHE 272 N -0.53 -0.26 -0.88 5.30 -0.12 -0.67 -4.99 117.98 115.83 2jkt s PHE 272 Ca 0.27 -0.11 -0.09 0.00 -0.05 0.00 0.00 56.93 56.95 2jkt s PHE 272 Cb -0.17 0.58 0.23 0.00 -0.63 0.00 0.00 43.02 43.03 2jkt s PHE 272 CO 0.15 -1.06 0.81 -2.00 -0.05 0.00 0.00 175.22 173.08 2jkt s GLU 273 N -3.87 3.57 0.36 1.99 2.12 -1.26 -1.58 118.70 120.04 2jkt s GLU 273 Ca 0.08 -2.79 0.07 0.00 0.36 0.00 0.00 54.97 52.69 2jkt s GLU 273 Cb -0.03 -4.29 0.79 0.00 0.26 0.00 0.00 34.13 30.85 2jkt s GLU 273 CO -0.01 -1.26 1.93 1.25 -0.54 0.00 0.00 175.26 176.64 2jkt h LEU 274 N 7.12 0.64 -7.00 2.70 5.85 -1.80 -3.40 115.31 119.42 2jkt h LEU 274 Ca 0.12 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.91 2jkt h LEU 274 Cb 0.95 -0.12 -0.25 0.00 0.37 0.00 0.00 40.66 41.61 2jkt h LEU 274 CO 0.83 0.39 0.31 0.00 -0.34 0.00 0.00 178.44 179.63 2jkt s MET 275 N -5.65 0.53 -0.14 1.25 0.23 -1.20 -1.92 119.30 112.40 2jkt s MET 275 Ca -0.10 0.78 0.02 0.00 -1.03 0.00 0.00 55.69 55.36 2jkt s MET 275 Cb 0.20 0.18 0.02 0.00 -1.53 0.00 0.00 34.83 33.70 2jkt s MET 275 CO 0.78 -0.09 -0.18 0.50 -2.03 0.00 0.00 175.02 174.00 2jkt s ARG 276 N 0.93 2.62 0.04 3.16 3.52 -0.21 -0.93 118.95 128.07 2jkt s ARG 276 Ca -0.04 -0.70 0.01 0.00 -0.13 0.00 0.00 55.73 54.87 2jkt s ARG 276 Cb -0.04 -2.22 -0.00 0.00 -1.56 0.00 0.00 34.95 31.12 2jkt s ARG 276 CO -0.11 -0.11 0.03 2.48 -0.81 0.00 0.00 175.30 176.78 2jkt n TYR 277 N 4.34 -0.07 -3.32 5.12 0.18 -1.25 -1.07 117.16 121.08 2jkt n TYR 277 Ca -0.19 -0.31 0.03 0.00 1.88 0.00 0.00 57.90 59.30 2jkt n TYR 277 Cb 0.51 0.03 -0.03 0.00 -0.38 0.00 0.00 39.34 39.46 2jkt n TYR 277 CO 0.00 0.00 0.00 -0.98 -2.08 0.00 0.00 176.86 173.80 2jkt s ARG 278 N -2.16 0.29 0.32 -3.48 1.70 -1.22 -1.33 118.95 113.07 2jkt s ARG 278 Ca 0.04 0.66 -0.08 0.00 -0.47 0.00 0.00 55.73 55.88 2jkt s ARG 278 Cb 0.00 0.39 -0.06 0.00 -0.57 0.00 0.00 34.95 34.71 2jkt s ARG 278 CO 0.03 -0.17 0.64 -0.08 -1.08 0.00 0.00 175.30 174.64 2jkt s THR 279 N 2.60 4.91 0.00 4.99 -1.32 -1.05 -1.22 115.64 124.55 2jkt s THR 279 Ca -0.00 0.38 0.00 0.00 -1.21 0.00 0.00 61.69 60.85 2jkt s THR 279 Cb -0.08 -3.70 0.00 0.00 -1.51 0.00 0.00 72.50 67.21 2jkt s THR 279 CO -0.16 -0.33 0.19 0.35 -2.21 0.00 0.00 174.62 172.46 2jkt n THR 280 N -0.87 0.00 0.00 5.08 -2.24 -1.26 -1.40 114.28 113.59 2jkt n THR 280 Ca 0.00 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 2jkt n THR 280 Cb 0.54 1.41 0.00 0.00 -2.10 0.00 0.00 70.33 70.17 2jkt n THR 280 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2jkt n LYS 281 N -0.10 0.00 -1.11 -0.78 5.02 -1.26 -4.78 118.16 115.15 2jkt n LYS 281 Ca 0.00 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.96 2jkt n LYS 281 Cb 0.10 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.09 2jkt n LYS 281 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2jkt n ASP 282 N 0.00 5.22 -4.75 4.39 8.00 -1.26 -4.91 116.55 123.24 2jkt n ASP 282 Ca 0.00 -2.53 -0.40 0.00 0.71 0.00 0.00 54.79 52.56 2jkt n ASP 282 Cb 0.00 -1.30 -0.04 0.00 -0.02 0.00 0.00 41.12 39.76 2jkt n ASP 282 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2jkt s ILE 283 N 3.40 3.52 -1.06 0.53 1.01 -1.26 -4.63 121.20 122.71 2jkt s ILE 283 Ca 0.52 1.49 -0.02 0.00 0.00 0.00 0.00 60.65 62.63 2jkt s ILE 283 Cb 0.13 -3.95 0.26 0.00 0.01 0.00 0.00 42.46 38.92 2jkt s ILE 283 CO -0.02 0.34 2.04 -0.38 0.00 0.00 0.00 174.94 176.92 2jkt n ILE 284 N 1.42 5.50 -1.10 2.92 2.08 -0.12 -5.01 119.36 125.05 2jkt n ILE 284 Ca -0.00 -5.25 -0.48 0.00 0.56 0.00 0.00 62.75 57.58 2jkt n ILE 284 Cb 0.45 -1.65 -0.11 0.00 -0.75 0.00 0.00 39.64 37.58 2jkt n ILE 284 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 2jkt n LEU 285 N 0.38 0.56 0.17 1.39 4.77 -1.26 -4.78 117.00 118.24 2jkt n LEU 285 Ca 0.52 0.50 0.14 0.00 -0.03 0.00 0.00 56.01 57.13 2jkt n LEU 285 Cb 0.27 -0.76 0.47 0.00 -2.33 0.00 0.00 43.42 41.06 2jkt n LEU 285 CO 0.55 -0.64 0.89 -0.65 -1.33 0.00 0.00 177.39 176.21 2jkt h PRO 286 N 8.08 0.00 -3.63 3.23 0.11 -1.95 -3.44 132.00 134.40 2jkt h PRO 286 Ca -0.08 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.76 2jkt h PRO 286 Cb 1.18 0.00 -0.31 0.00 0.11 0.00 0.00 31.00 31.98 2jkt h PRO 286 CO 0.97 0.00 -0.73 -0.06 -0.21 0.00 0.00 178.00 177.97 2jkt s PHE 287 N -3.33 0.03 -0.12 0.65 0.40 -1.26 -2.57 117.98 111.78 2jkt s PHE 287 Ca 0.06 0.06 -0.05 0.00 -0.60 0.00 0.00 56.93 56.40 2jkt s PHE 287 Cb 0.09 -0.13 -0.04 0.00 0.51 0.00 0.00 43.02 43.45 2jkt s PHE 287 CO 0.52 -0.05 0.08 0.50 0.70 0.00 0.00 175.22 176.97 2jkt s ARG 288 N 0.57 3.34 -0.24 0.44 3.52 -0.17 -4.97 118.95 121.44 2jkt s ARG 288 Ca -0.05 -0.26 -0.06 0.00 -0.13 0.00 0.00 55.73 55.23 2jkt s ARG 288 Cb -0.07 -3.04 -0.01 0.00 -1.56 0.00 0.00 34.95 30.26 2jkt s ARG 288 CO -0.02 0.68 0.02 0.08 -0.81 0.00 0.00 175.30 175.25 2jkt s VAL 289 N -0.79 3.81 -0.60 7.11 1.01 -1.26 -1.45 120.40 128.23 2jkt s VAL 289 Ca 0.13 -0.39 -0.11 0.00 0.00 0.00 0.00 61.98 61.61 2jkt s VAL 289 Cb -0.12 -2.78 0.15 0.00 0.00 0.00 0.00 36.38 33.63 2jkt s VAL 289 CO 0.03 0.35 0.50 -0.63 0.00 0.00 0.00 175.10 175.35 2jkt s ILE 290 N 1.54 4.74 -0.46 2.22 1.01 -1.09 -4.92 121.20 124.24 2jkt s ILE 290 Ca 0.06 -2.04 -0.20 0.00 0.00 0.00 0.00 60.65 58.47 2jkt s ILE 290 Cb -0.15 -4.04 0.04 0.00 0.01 0.00 0.00 42.46 38.32 2jkt s ILE 290 CO 0.00 -0.88 0.61 -2.16 0.00 0.00 0.00 174.94 172.51 2jkt s PRO 291 N 0.93 3.18 -0.94 2.79 0.05 -1.26 -2.73 135.00 137.03 2jkt s PRO 291 Ca 0.10 -0.64 -0.13 0.00 0.05 0.00 0.00 61.00 60.38 2jkt s PRO 291 Cb -0.22 -4.01 0.23 0.00 0.05 0.00 0.00 34.50 30.55 2jkt s PRO 291 CO -0.02 -1.07 0.92 -0.51 0.05 0.00 0.00 177.00 176.36 2jkt s LEU 292 N 2.65 6.49 0.00 -3.56 1.43 0.34 -4.95 118.68 121.08 2jkt s LEU 292 Ca 0.18 -2.97 0.00 0.00 -1.03 0.00 0.00 54.13 50.31 2jkt s LEU 292 Cb -0.17 -2.23 0.00 0.00 0.03 0.00 0.00 46.19 43.83 2jkt s LEU 292 CO 0.15 -0.51 0.00 0.55 0.23 0.00 0.00 176.35 176.77 2jkt n VAL 293 N 3.65 0.00 0.00 -1.59 3.14 -1.26 -1.57 118.33 120.70 2jkt n VAL 293 Ca 0.18 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.56 2jkt n VAL 293 Cb 0.44 -0.84 0.00 0.00 -1.06 0.00 0.00 33.84 32.38 2jkt n VAL 293 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 2jkt n ARG 294 N -0.85 0.00 -2.62 1.45 3.00 -1.20 -4.82 116.66 111.62 2jkt n ARG 294 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.85 57.44 2jkt n ARG 294 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.43 2jkt n ARG 294 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2jkt s GLU 295 N 0.00 3.35 -0.92 -0.14 2.02 -1.26 -2.66 118.70 119.09 2jkt s GLU 295 Ca 0.00 -0.74 -0.22 0.00 0.02 0.00 0.00 54.97 54.04 2jkt s GLU 295 Cb 0.00 -4.64 0.08 0.00 0.10 0.00 0.00 34.13 29.67 2jkt s GLU 295 CO 0.00 -2.10 1.26 0.54 0.02 0.00 0.00 175.26 174.98 2jkt s VAL 296 N 5.01 4.26 0.02 2.63 0.11 -1.21 -4.88 120.40 126.35 2jkt s VAL 296 Ca 0.37 -0.93 0.00 0.00 -2.93 0.00 0.00 61.98 58.49 2jkt s VAL 296 Cb -0.06 -4.90 0.00 0.00 -1.53 0.00 0.00 36.38 29.89 2jkt s VAL 296 CO 0.04 -1.71 0.00 0.61 -3.33 0.00 0.00 175.10 170.71 2jkt n GLY 297 N 6.05 -0.75 0.03 6.54 0.00 -1.26 -3.36 105.19 112.45 2jkt n GLY 297 Ca 0.23 -0.74 0.13 0.00 0.00 0.00 0.00 46.02 45.64 2jkt n GLY 297 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jkt n ARG 298 N -1.65 0.17 0.00 1.61 1.74 -1.26 -4.48 116.66 112.79 2jkt n ARG 298 Ca 0.00 -0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 2jkt n ARG 298 Cb 0.05 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.99 2jkt n ARG 298 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 2jkt n THR 299 N -1.36 0.00 -4.03 0.55 5.66 -1.25 -4.75 114.28 109.10 2jkt n THR 299 Ca 0.08 0.97 -0.21 0.00 -3.05 0.00 0.00 64.05 61.84 2jkt n THR 299 Cb 0.33 -1.83 -0.02 0.00 -1.55 0.00 0.00 70.33 67.26 2jkt n THR 299 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 2jkt n LYS 300 N -1.04 0.96 -3.21 1.09 2.85 -1.21 -1.26 118.16 116.34 2jkt n LYS 300 Ca 0.00 -2.58 0.03 0.00 -1.05 0.00 0.00 58.31 54.71 2jkt n LYS 300 Cb 0.00 0.42 -0.02 0.00 -0.65 0.00 0.00 35.03 34.78 2jkt n LYS 300 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 2jkt s LEU 301 N 0.00 -1.32 -0.40 -5.58 2.96 -1.14 -3.33 118.68 109.88 2jkt s LEU 301 Ca 0.15 0.91 -0.13 0.00 -0.22 0.00 0.00 54.13 54.84 2jkt s LEU 301 Cb -0.01 2.12 0.03 0.00 0.50 0.00 0.00 46.19 48.82 2jkt s LEU 301 CO 0.10 -0.26 0.26 -1.83 -1.32 0.00 0.00 176.35 173.30 2jkt s GLU 302 N 2.84 2.89 -0.08 1.98 -1.05 -1.09 -1.94 118.70 122.26 2jkt s GLU 302 Ca 0.18 -1.07 -0.04 0.00 -0.15 0.00 0.00 54.97 53.89 2jkt s GLU 302 Cb -0.15 -3.87 -0.04 0.00 -0.44 0.00 0.00 34.13 29.63 2jkt s GLU 302 CO -0.20 -0.75 0.07 0.08 0.95 0.00 0.00 175.26 175.41 2jkt s VAL 303 N 1.62 4.88 -0.04 1.83 1.01 -0.69 -3.24 120.40 125.77 2jkt s VAL 303 Ca 0.04 -0.09 0.03 0.00 0.00 0.00 0.00 61.98 61.95 2jkt s VAL 303 Cb -0.19 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.07 2jkt s VAL 303 CO 0.08 0.56 -0.14 -0.75 0.00 0.00 0.00 175.10 174.86 2jkt s LYS 304 N -1.12 1.51 -0.03 2.72 2.20 -0.61 0.12 119.74 124.53 2jkt s LYS 304 Ca 0.16 -0.47 0.02 0.00 -0.36 0.00 0.00 55.97 55.32 2jkt s LYS 304 Cb -0.12 -1.32 0.01 0.00 -1.51 0.00 0.00 37.83 34.89 2jkt s LYS 304 CO 0.05 0.16 -0.09 0.08 -0.36 0.00 0.00 175.35 175.19 2jkt s VAL 305 N 0.22 0.82 0.13 4.02 1.01 -0.39 -0.50 120.40 125.70 2jkt s VAL 305 Ca -0.06 -0.36 0.04 0.00 0.00 0.00 0.00 61.98 61.61 2jkt s VAL 305 Cb -0.11 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 2jkt s VAL 305 CO 0.02 0.26 0.11 -0.69 0.00 0.00 0.00 175.10 174.80 2jkt s VAL 306 N 0.35 4.48 -0.14 2.92 1.01 -1.10 -1.05 120.40 126.87 2jkt s VAL 306 Ca -0.06 -0.96 -0.01 0.00 0.00 0.00 0.00 61.98 60.95 2jkt s VAL 306 Cb -0.10 -3.23 0.04 0.00 0.00 0.00 0.00 36.38 33.08 2jkt s VAL 306 CO 0.01 -0.01 -0.03 0.27 0.00 0.00 0.00 175.10 175.34 2jkt s ILE 307 N -1.60 0.84 -0.35 2.22 -4.36 0.22 -2.66 121.20 115.51 2jkt s ILE 307 Ca 0.30 -0.41 -0.16 0.00 -0.26 0.00 0.00 60.65 60.12 2jkt s ILE 307 Cb -0.11 -1.05 -0.01 0.00 1.25 0.00 0.00 42.46 42.54 2jkt s ILE 307 CO 0.23 0.13 0.40 -0.75 0.24 0.00 0.00 174.94 175.18 2jkt s LYS 308 N 1.75 3.57 0.27 0.37 2.20 -0.53 -2.32 119.74 125.05 2jkt s LYS 308 Ca 0.02 -0.36 -0.25 0.00 -0.36 0.00 0.00 55.97 55.02 2jkt s LYS 308 Cb -0.15 -3.81 -0.09 0.00 -1.51 0.00 0.00 37.83 32.27 2jkt s LYS 308 CO -0.07 -0.56 0.87 -1.54 -0.36 0.00 0.00 175.35 173.69 2jkt s SER 309 N 1.74 7.31 -0.32 1.43 1.04 -0.89 -1.00 113.70 123.01 2jkt s SER 309 Ca 0.13 1.72 0.16 0.00 0.48 0.00 0.00 55.95 58.45 2jkt s SER 309 Cb -0.16 -2.53 0.44 0.00 0.10 0.00 0.00 66.02 63.87 2jkt s SER 309 CO 0.12 0.01 1.31 -0.46 0.98 0.00 0.00 173.24 175.21 2jkt n ASN 310 N 0.81 -0.30 -2.07 7.02 0.23 -1.06 -2.99 115.26 116.90 2jkt n ASN 310 Ca -0.00 -2.26 -0.00 0.00 -0.53 0.00 0.00 54.58 51.78 2jkt n ASN 310 Cb 0.50 0.26 0.00 0.00 -2.08 0.00 0.00 39.78 38.46 2jkt n ASN 310 CO 0.00 0.00 0.00 2.22 -0.93 0.00 0.00 177.26 178.55 2jkt n PHE 311 N -0.93 -3.08 -1.32 -2.53 1.16 -1.26 -4.90 117.46 104.61 2jkt n PHE 311 Ca -0.05 -0.05 -0.35 0.00 -1.87 0.00 0.00 57.45 55.14 2jkt n PHE 311 Cb 0.84 -0.01 0.11 0.00 -1.61 0.00 0.00 39.48 38.81 2jkt n PHE 311 CO 0.00 0.00 0.00 0.21 -1.87 0.00 0.00 176.76 175.10 2jkt s LYS 312 N -2.16 1.93 0.44 3.97 2.47 -1.26 -3.72 119.74 121.40 2jkt s LYS 312 Ca 0.02 1.86 0.25 0.00 -1.56 0.00 0.00 55.97 56.54 2jkt s LYS 312 Cb -0.00 -1.80 0.60 0.00 -1.46 0.00 0.00 37.83 35.17 2jkt s LYS 312 CO 0.01 -2.02 1.70 -1.35 0.16 0.00 0.00 175.35 173.85 2jkt h PRO 313 N -0.44 0.00 -0.21 4.03 0.11 -1.96 -3.24 132.00 130.29 2jkt h PRO 313 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2jkt h PRO 313 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 2jkt h PRO 313 CO 0.48 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.70 2jkt n SER 314 N -3.01 0.21 -3.67 -2.05 7.64 -1.26 -3.66 113.62 107.82 2jkt n SER 314 Ca 0.03 -1.22 -0.12 0.00 1.01 0.00 0.00 58.87 58.57 2jkt n SER 314 Cb 0.47 -0.11 -0.06 0.00 -1.01 0.00 0.00 64.21 63.50 2jkt n SER 314 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 2jkt s LEU 315 N -0.65 0.44 -0.12 -3.43 0.05 -1.25 -5.04 118.68 108.67 2jkt s LEU 315 Ca 0.00 -0.06 -0.03 0.00 0.05 0.00 0.00 54.13 54.09 2jkt s LEU 315 Cb 0.00 1.72 -0.03 0.00 -2.05 0.00 0.00 46.19 45.83 2jkt s LEU 315 CO 0.00 -0.69 -0.01 -0.76 -0.55 0.00 0.00 176.35 174.34 2jkt s LEU 316 N -2.11 3.46 0.30 1.48 1.43 -1.26 -2.39 118.68 119.59 2jkt s LEU 316 Ca -0.04 0.03 -0.11 0.00 -1.03 0.00 0.00 54.13 52.97 2jkt s LEU 316 Cb -0.00 -1.81 -0.07 0.00 0.03 0.00 0.00 46.19 44.33 2jkt s LEU 316 CO -0.04 0.28 0.65 0.00 0.23 0.00 0.00 176.35 177.47 2jkt s ALA 317 N -0.27 3.45 0.18 4.21 0.00 -0.86 -4.32 121.76 124.15 2jkt s ALA 317 Ca 0.06 -0.18 0.01 0.00 0.00 0.00 0.00 51.96 51.85 2jkt s ALA 317 Cb -0.12 -2.59 -0.04 0.00 0.00 0.00 0.00 23.12 20.36 2jkt s ALA 317 CO 0.02 0.33 0.04 -0.65 0.00 0.00 0.00 175.76 175.50 2jkt s GLN 318 N -3.13 1.11 -1.32 0.00 -0.21 -0.65 -2.60 119.66 112.85 2jkt s GLN 318 Ca 0.50 -1.55 -0.06 0.00 0.02 0.00 0.00 55.36 54.28 2jkt s GLN 318 Cb -0.11 -0.07 -0.00 0.00 1.00 0.00 0.00 33.01 33.83 2jkt s GLN 318 CO 0.22 -0.21 0.55 1.63 -2.12 0.00 0.00 175.29 175.36 2jkt n LYS 319 N -0.23 -2.97 -3.02 2.91 5.02 -1.22 -2.73 118.16 115.92 2jkt n LYS 319 Ca -0.05 0.44 -0.39 0.00 -2.02 0.00 0.00 58.31 56.29 2jkt n LYS 319 Cb 0.64 -4.49 -0.06 0.00 -0.02 0.00 0.00 35.03 31.10 2jkt n LYS 319 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2jkt s ILE 320 N -3.79 4.60 0.00 -0.18 1.01 -0.86 -4.06 121.20 117.92 2jkt s ILE 320 Ca 0.13 1.60 0.01 0.00 0.00 0.00 0.00 60.65 62.39 2jkt s ILE 320 Cb -0.05 -4.09 -0.01 0.00 0.01 0.00 0.00 42.46 38.32 2jkt s ILE 320 CO 0.87 0.45 -0.05 -1.61 0.00 0.00 0.00 174.94 174.60 2jkt s GLU 321 N -0.59 0.39 -0.10 2.79 2.02 -0.01 -1.83 118.70 121.38 2jkt s GLU 321 Ca 0.36 -0.27 -0.03 0.00 0.02 0.00 0.00 54.97 55.05 2jkt s GLU 321 Cb -0.21 -0.33 0.04 0.00 0.10 0.00 0.00 34.13 33.73 2jkt s GLU 321 CO 0.24 0.09 0.05 0.08 0.02 0.00 0.00 175.26 175.74 2jkt s VAL 322 N -0.35 0.05 -0.68 2.63 1.01 -0.16 -1.87 120.40 121.03 2jkt s VAL 322 Ca -0.01 0.11 -0.09 0.00 0.00 0.00 0.00 61.98 61.99 2jkt s VAL 322 Cb -0.03 -0.43 0.18 0.00 0.00 0.00 0.00 36.38 36.10 2jkt s VAL 322 CO -0.00 0.03 0.56 -0.60 0.00 0.00 0.00 175.10 175.09 2jkt s ARG 323 N 2.09 2.99 -0.18 2.72 3.52 -0.34 -1.47 118.95 128.28 2jkt s ARG 323 Ca 0.04 -2.35 -0.29 0.00 -0.13 0.00 0.00 55.73 52.99 2jkt s ARG 323 Cb -0.14 -4.07 -0.00 0.00 -1.56 0.00 0.00 34.95 29.18 2jkt s ARG 323 CO -0.06 -1.23 1.14 0.42 -0.81 0.00 0.00 175.30 174.76 2jkt s ILE 324 N 0.31 4.50 0.15 4.11 1.09 -0.73 -3.45 121.20 127.17 2jkt s ILE 324 Ca 0.15 1.81 -0.31 0.00 -1.10 0.00 0.00 60.65 61.20 2jkt s ILE 324 Cb -0.17 -4.17 -0.08 0.00 -1.06 0.00 0.00 42.46 36.98 2jkt s ILE 324 CO -0.05 -0.13 1.31 -2.16 -0.10 0.00 0.00 174.94 173.81 2jkt s PRO 325 N 3.14 4.38 0.18 2.79 0.04 -1.26 -0.57 135.00 143.70 2jkt s PRO 325 Ca 0.49 2.00 0.01 0.00 0.04 0.00 0.00 61.00 63.54 2jkt s PRO 325 Cb -0.19 -3.24 -0.04 0.00 0.04 0.00 0.00 34.50 31.07 2jkt s PRO 325 CO 0.12 -0.30 0.34 0.95 0.04 0.00 0.00 177.00 178.14 2jkt s THR 326 N 0.59 5.26 1.25 1.26 -4.23 -1.21 -4.87 115.64 113.70 2jkt s THR 326 Ca 0.59 -0.51 -0.16 0.00 -1.18 0.00 0.00 61.69 60.43 2jkt s THR 326 Cb -0.35 -3.74 0.31 0.00 1.34 0.00 0.00 72.50 70.06 2jkt s THR 326 CO 0.34 -0.14 1.00 -2.84 -0.54 0.00 0.00 174.62 172.44 2jkt s PRO 327 N -3.28 -1.62 0.09 3.99 0.02 -1.26 -4.74 135.00 128.19 2jkt s PRO 327 Ca 0.37 0.55 0.11 0.00 0.02 0.00 0.00 61.00 62.04 2jkt s PRO 327 Cb -0.11 -1.50 -0.17 0.00 0.02 0.00 0.00 34.50 32.75 2jkt s PRO 327 CO 0.29 -4.11 1.09 -0.07 -0.33 0.00 0.00 177.00 173.86 2jkt h LEU 328 N -2.89 0.00 -3.29 -5.54 -0.00 -1.98 -3.31 115.31 98.31 2jkt h LEU 328 Ca -0.56 0.00 -0.32 0.00 -0.00 0.00 0.00 57.88 57.01 2jkt h LEU 328 Cb 1.34 0.00 -0.16 0.00 -0.00 0.00 0.00 40.66 41.84 2jkt h LEU 328 CO 0.44 0.89 0.40 -0.46 -0.00 0.00 0.00 178.44 179.71 2jkt n ASN 329 N -3.20 4.97 -4.76 -0.43 6.94 -1.26 -4.94 115.26 112.58 2jkt n ASN 329 Ca -0.05 -2.99 -0.37 0.00 -0.02 0.00 0.00 54.58 51.15 2jkt n ASN 329 Cb 0.93 -0.86 0.02 0.00 -2.36 0.00 0.00 39.78 37.51 2jkt n ASN 329 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 2jkt s THR 330 N -2.13 2.74 0.00 5.53 2.01 -1.25 -0.05 115.64 122.49 2jkt s THR 330 Ca 0.32 0.51 0.00 0.00 0.31 0.00 0.00 61.69 62.83 2jkt s THR 330 Cb 0.26 -3.23 0.00 0.00 0.01 0.00 0.00 72.50 69.54 2jkt s THR 330 CO 0.03 -0.05 0.00 -1.54 -0.69 0.00 0.00 174.62 172.36 2jkt n SER 331 N -1.10 0.24 -3.60 3.53 3.41 0.25 -4.62 113.62 111.74 2jkt n SER 331 Ca 0.11 -0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.55 2jkt n SER 331 Cb 0.48 0.05 -0.07 0.00 -0.26 0.00 0.00 64.21 64.42 2jkt n SER 331 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2jkt s GLY 332 N -0.10 -0.47 -0.08 5.00 0.00 -1.06 -4.96 107.32 105.65 2jkt s GLY 332 Ca 0.00 1.21 -0.05 0.00 0.00 0.00 0.00 44.72 45.88 2jkt s GLY 332 CO 0.00 0.90 0.20 0.14 0.00 0.00 0.00 173.10 174.34 2jkt s VAL 333 N -0.88 -0.03 -0.04 1.40 1.01 -1.26 0.06 120.40 120.66 2jkt s VAL 333 Ca -0.09 0.11 -0.06 0.00 0.00 0.00 0.00 61.98 61.94 2jkt s VAL 333 Cb -0.02 -0.30 0.01 0.00 0.00 0.00 0.00 36.38 36.07 2jkt s VAL 333 CO 0.07 0.05 0.16 0.00 0.00 0.00 0.00 175.10 175.37 2jkt s GLN 334 N 0.88 0.31 0.43 2.72 0.00 -0.64 -5.00 119.66 118.36 2jkt s GLN 334 Ca -0.06 -0.01 0.03 0.00 -0.00 0.00 0.00 55.36 55.31 2jkt s GLN 334 Cb -0.08 0.14 -0.03 0.00 0.00 0.00 0.00 33.01 33.04 2jkt s GLN 334 CO -0.05 -0.06 0.08 0.14 0.00 0.00 0.00 175.29 175.40 2jkt s VAL 335 N -0.49 0.86 -0.41 3.63 -7.23 -1.26 -0.28 120.40 115.22 2jkt s VAL 335 Ca -0.06 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.16 2jkt s VAL 335 Cb -0.04 -2.36 0.17 0.00 0.56 0.00 0.00 36.38 34.71 2jkt s VAL 335 CO 0.01 0.00 0.46 -0.63 -0.31 0.00 0.00 175.10 174.62 2jkt s ILE 336 N -3.11 -0.40 0.05 -0.62 1.09 -0.93 -4.92 121.20 112.37 2jkt s ILE 336 Ca 0.20 -1.17 -0.25 0.00 -1.10 0.00 0.00 60.65 58.33 2jkt s ILE 336 Cb 0.03 -0.58 -0.06 0.00 -1.06 0.00 0.00 42.46 40.79 2jkt s ILE 336 CO 0.11 -0.54 0.77 0.00 -0.10 0.00 0.00 174.94 175.18 2jkt n MET 338 N 2.76 0.00 -1.76 0.00 2.81 -1.12 -4.88 117.12 114.94 2jkt n MET 338 Ca -0.02 0.00 -0.31 0.00 -1.81 0.00 0.00 57.70 55.56 2jkt n MET 338 Cb 0.50 -0.32 0.04 0.00 -0.71 0.00 0.00 33.22 32.73 2jkt n MET 338 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2jkt s LYS 339 N -0.02 3.07 1.06 0.03 1.02 -1.26 -4.98 119.74 118.65 2jkt s LYS 339 Ca 0.00 0.72 0.00 0.00 0.02 0.00 0.00 55.97 56.71 2jkt s LYS 339 Cb 0.00 -2.02 0.00 0.00 -0.52 0.00 0.00 37.83 35.29 2jkt s LYS 339 CO 0.00 -0.95 0.00 0.41 -0.92 0.00 0.00 175.35 173.89 2jkt n GLY 340 N -2.53 -1.60 2.95 -3.33 0.00 -1.26 -4.94 105.19 94.48 2jkt n GLY 340 Ca 0.07 -1.19 -0.11 0.00 0.00 0.00 0.00 46.02 44.79 2jkt n GLY 340 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jkt s LYS 341 N -0.82 0.24 0.08 1.61 2.20 -1.09 -4.86 119.74 117.09 2jkt s LYS 341 Ca 0.00 -0.41 0.06 0.00 -0.36 0.00 0.00 55.97 55.26 2jkt s LYS 341 Cb 0.00 0.01 -0.03 0.00 -1.51 0.00 0.00 37.83 36.30 2jkt s LYS 341 CO 0.00 -0.02 -0.16 0.00 -0.36 0.00 0.00 175.35 174.82 2jkt s ALA 342 N -0.91 1.32 0.05 3.13 0.00 -1.26 -2.15 121.76 121.94 2jkt s ALA 342 Ca -0.09 -1.05 0.05 0.00 0.00 0.00 0.00 51.96 50.86 2jkt s ALA 342 Cb -0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 23.12 22.89 2jkt s ALA 342 CO -0.01 0.22 -0.13 -1.59 0.00 0.00 0.00 175.76 174.25 2jkt s LYS 343 N -1.75 0.82 -0.07 0.00 -2.85 -1.06 -4.95 119.74 109.88 2jkt s LYS 343 Ca 0.00 -0.84 -0.13 0.00 -1.00 0.00 0.00 55.97 54.01 2jkt s LYS 343 Cb -0.10 -0.80 -0.05 0.00 -2.06 0.00 0.00 37.83 34.82 2jkt s LYS 343 CO 0.03 0.19 0.33 -0.47 0.10 0.00 0.00 175.35 175.52 2jkt s TYR 344 N -1.08 3.62 -0.48 1.78 5.04 -1.26 -0.77 117.35 124.19 2jkt s TYR 344 Ca -0.01 0.79 0.03 0.00 -2.44 0.00 0.00 57.07 55.43 2jkt s TYR 344 Cb -0.09 -2.25 0.14 0.00 0.35 0.00 0.00 41.96 40.12 2jkt s TYR 344 CO 0.02 0.53 0.29 0.15 -1.34 0.00 0.00 175.55 175.20 2jkt s LYS 345 N -0.56 1.43 0.58 4.97 1.02 -0.92 -4.90 119.74 121.37 2jkt s LYS 345 Ca 0.20 -2.23 0.28 0.00 0.02 0.00 0.00 55.97 54.24 2jkt s LYS 345 Cb -0.15 -2.41 1.75 0.00 -0.52 0.00 0.00 37.83 36.51 2jkt s LYS 345 CO 0.09 -1.21 2.23 0.00 -0.92 0.00 0.00 175.35 175.54 2jkt h ALA 346 N 6.39 1.54 -1.59 5.17 0.00 -1.95 0.16 119.26 128.97 2jkt h ALA 346 Ca 0.05 -0.01 0.46 0.00 0.00 0.00 0.00 54.91 55.40 2jkt h ALA 346 Cb 0.90 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.62 2jkt h ALA 346 CO 0.51 0.02 1.19 0.43 0.00 0.00 0.00 179.25 181.39 2jkt n SER 347 N -3.88 0.00 -0.67 0.00 7.64 -1.26 -2.02 113.62 113.43 2jkt n SER 347 Ca -0.03 0.82 -0.01 0.00 1.01 0.00 0.00 58.87 60.66 2jkt n SER 347 Cb 0.10 -0.40 -0.01 0.00 -1.01 0.00 0.00 64.21 62.89 2jkt n SER 347 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2jkt n GLU 348 N -3.54 0.00 -3.45 1.43 0.28 0.37 -5.08 120.64 110.65 2jkt n GLU 348 Ca 0.36 -0.59 -0.17 0.00 -0.16 0.00 0.00 57.16 56.60 2jkt n GLU 348 Cb 1.66 -0.04 0.02 0.00 1.43 0.00 0.00 31.44 34.51 2jkt n GLU 348 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2jkt n ASN 349 N 0.04 -6.23 0.00 -1.84 3.02 -0.12 -5.01 115.26 105.12 2jkt n ASN 349 Ca -0.04 -0.64 0.00 0.00 -0.03 0.00 0.00 54.58 53.87 2jkt n ASN 349 Cb 0.64 -3.80 0.00 0.00 -0.61 0.00 0.00 39.78 36.01 2jkt n ASN 349 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jkt n ALA 350 N -2.84 0.00 -1.93 5.41 0.00 -1.20 -3.36 120.51 116.59 2jkt n ALA 350 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.92 2jkt n ALA 350 Cb 0.59 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.99 2jkt n ALA 350 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2jkt s ILE 351 N -2.00 3.82 -0.36 0.00 1.01 0.27 -2.16 121.20 121.78 2jkt s ILE 351 Ca 0.00 1.68 0.02 0.00 0.00 0.00 0.00 60.65 62.36 2jkt s ILE 351 Cb 0.00 -4.07 0.11 0.00 0.01 0.00 0.00 42.46 38.50 2jkt s ILE 351 CO 0.00 0.34 0.11 -0.69 0.00 0.00 0.00 174.94 174.70 2jkt s VAL 352 N -0.66 1.80 0.04 2.92 1.01 0.05 -1.78 120.40 123.78 2jkt s VAL 352 Ca 0.46 -2.20 -0.22 0.00 0.00 0.00 0.00 61.98 60.02 2jkt s VAL 352 Cb -0.29 -2.32 -0.06 0.00 0.00 0.00 0.00 36.38 33.71 2jkt s VAL 352 CO 0.36 -0.68 0.64 0.86 0.00 0.00 0.00 175.10 176.28 2jkt s TRP 353 N 0.91 3.75 -0.10 5.22 -0.00 -0.54 -2.55 118.94 125.63 2jkt s TRP 353 Ca 0.12 1.31 -0.00 0.00 -0.00 0.00 0.00 56.10 57.54 2jkt s TRP 353 Cb -0.20 -2.63 0.02 0.00 -0.00 0.00 0.00 33.47 30.66 2jkt s TRP 353 CO -0.11 0.42 -0.07 0.15 -0.00 0.00 0.00 176.95 177.33 2jkt s LYS 354 N -0.51 1.41 -0.09 5.86 1.02 -0.91 -0.98 119.74 125.54 2jkt s LYS 354 Ca 0.32 -0.23 -0.02 0.00 0.02 0.00 0.00 55.97 56.06 2jkt s LYS 354 Cb -0.19 -1.45 -0.03 0.00 -0.52 0.00 0.00 37.83 35.63 2jkt s LYS 354 CO 0.20 -0.21 0.02 0.42 -0.92 0.00 0.00 175.35 174.85 2jkt s ILE 355 N 1.53 4.43 0.09 2.17 -1.09 -0.76 -2.66 121.20 124.90 2jkt s ILE 355 Ca 0.01 -0.20 0.01 0.00 -2.23 0.00 0.00 60.65 58.23 2jkt s ILE 355 Cb -0.13 -2.87 -0.25 0.00 -1.58 0.00 0.00 42.46 37.62 2jkt s ILE 355 CO -0.06 0.60 1.18 0.50 -1.23 0.00 0.00 174.94 175.94 2jkt h LYS 356 N 5.19 0.16 -1.37 2.79 1.63 -1.95 -2.29 116.57 120.73 2jkt h LYS 356 Ca -0.51 -0.27 0.14 0.00 -0.85 0.00 0.00 60.65 59.16 2jkt h LYS 356 Cb 1.20 0.10 -0.25 0.00 -0.60 0.00 0.00 32.23 32.67 2jkt h LYS 356 CO 0.55 1.12 0.69 -0.98 -3.45 0.00 0.00 179.45 177.38 2jkt s ARG 357 N -2.68 0.39 -0.19 1.90 1.70 -1.26 -3.38 118.95 115.43 2jkt s ARG 357 Ca -0.02 0.13 -0.19 0.00 -0.47 0.00 0.00 55.73 55.17 2jkt s ARG 357 Cb 0.08 0.18 0.05 0.00 -0.57 0.00 0.00 34.95 34.70 2jkt s ARG 357 CO 0.86 -0.11 0.54 0.00 -1.08 0.00 0.00 175.30 175.50 2jkt s MET 358 N -0.93 0.66 0.99 3.89 0.23 -1.07 -5.01 119.30 118.05 2jkt s MET 358 Ca 0.03 0.69 -0.16 0.00 -1.03 0.00 0.00 55.69 55.21 2jkt s MET 358 Cb -0.01 0.32 0.20 0.00 -1.53 0.00 0.00 34.83 33.80 2jkt s MET 358 CO -0.03 -0.09 1.24 0.00 -2.03 0.00 0.00 175.02 174.11 2jkt s ALA 359 N 0.14 1.90 0.39 3.16 0.00 -1.26 -2.02 121.76 124.07 2jkt s ALA 359 Ca -0.01 -1.00 -0.25 0.00 0.00 0.00 0.00 51.96 50.70 2jkt s ALA 359 Cb -0.04 -2.85 -0.09 0.00 0.00 0.00 0.00 23.12 20.15 2jkt s ALA 359 CO 0.01 -2.56 1.11 0.20 0.00 0.00 0.00 175.76 174.52 2jkt s GLY 360 N -4.55 2.82 -0.94 0.00 0.00 -1.00 -3.67 107.32 99.97 2jkt s GLY 360 Ca 0.71 0.83 0.00 0.00 0.00 0.00 0.00 44.72 46.26 2jkt s GLY 360 CO 0.53 1.31 0.00 1.03 0.00 0.00 0.00 173.10 175.97 2jkt n MET 361 N 0.05 -0.93 -3.27 2.90 2.81 -1.16 -4.22 117.12 113.30 2jkt n MET 361 Ca 0.04 0.76 -0.21 0.00 -1.81 0.00 0.00 57.70 56.48 2jkt n MET 361 Cb 0.48 -4.73 0.04 0.00 -0.71 0.00 0.00 33.22 28.30 2jkt n MET 361 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 2jkt s LYS 362 N -2.53 2.30 0.25 0.03 2.20 -1.24 -4.96 119.74 115.80 2jkt s LYS 362 Ca 0.00 -1.74 -0.05 0.00 -0.36 0.00 0.00 55.97 53.82 2jkt s LYS 362 Cb 0.00 -2.50 -0.02 0.00 -1.51 0.00 0.00 37.83 33.80 2jkt s LYS 362 CO 0.00 -0.78 0.33 -1.21 -0.36 0.00 0.00 175.35 173.33 2jkt s GLU 363 N -4.55 1.49 0.21 4.03 2.02 -1.26 -2.09 118.70 118.54 2jkt s GLU 363 Ca 0.54 -1.54 -0.20 0.00 0.02 0.00 0.00 54.97 53.79 2jkt s GLU 363 Cb -0.05 0.38 0.04 0.00 0.10 0.00 0.00 34.13 34.60 2jkt s GLU 363 CO 0.34 -0.57 0.62 -1.12 0.02 0.00 0.00 175.26 174.55 2jkt s SER 364 N -3.14 -0.36 0.05 -0.19 0.01 -0.98 -4.98 113.70 104.11 2jkt s SER 364 Ca 0.32 -0.37 0.00 0.00 1.31 0.00 0.00 55.95 57.21 2jkt s SER 364 Cb 0.03 0.64 -0.03 0.00 0.21 0.00 0.00 66.02 66.86 2jkt s SER 364 CO 0.13 -1.13 -0.04 -1.58 0.41 0.00 0.00 173.24 171.04 2jkt s GLN 365 N -3.85 0.55 -0.07 12.44 0.74 -1.26 -0.61 119.66 127.60 2jkt s GLN 365 Ca 0.07 -1.01 -0.18 0.00 0.05 0.00 0.00 55.36 54.29 2jkt s GLN 365 Cb -0.03 0.05 0.04 0.00 1.10 0.00 0.00 33.01 34.17 2jkt s GLN 365 CO -0.03 -0.06 0.43 -1.50 -0.55 0.00 0.00 175.29 173.59 2jkt s ILE 366 N -2.87 0.03 -0.12 -2.34 2.07 -0.21 -2.79 121.20 114.96 2jkt s ILE 366 Ca -0.01 -0.22 -0.04 0.00 -1.41 0.00 0.00 60.65 58.98 2jkt s ILE 366 Cb 0.00 -0.70 0.06 0.00 0.13 0.00 0.00 42.46 41.95 2jkt s ILE 366 CO -0.05 -0.12 0.15 -0.44 -1.91 0.00 0.00 174.94 172.56 2jkt s SER 367 N -0.77 1.29 0.05 4.50 0.01 -1.23 -1.26 113.70 116.28 2jkt s SER 367 Ca -0.08 -0.03 0.03 0.00 1.31 0.00 0.00 55.95 57.17 2jkt s SER 367 Cb -0.03 0.13 -0.04 0.00 0.21 0.00 0.00 66.02 66.29 2jkt s SER 367 CO 0.04 -0.29 0.02 0.00 0.41 0.00 0.00 173.24 173.42 2jkt s ALA 368 N 2.25 3.35 -0.04 1.44 0.00 0.12 -2.18 121.76 126.70 2jkt s ALA 368 Ca 0.04 -1.02 0.06 0.00 0.00 0.00 0.00 51.96 51.04 2jkt s ALA 368 Cb -0.14 -1.32 -0.02 0.00 0.00 0.00 0.00 23.12 21.64 2jkt s ALA 368 CO -0.08 0.69 -0.20 -1.21 0.00 0.00 0.00 175.76 174.96 2jkt s GLU 369 N -1.99 2.36 -0.37 0.00 2.02 0.61 -1.70 118.70 119.63 2jkt s GLU 369 Ca 0.24 -0.81 0.00 0.00 0.02 0.00 0.00 54.97 54.42 2jkt s GLU 369 Cb -0.12 -2.22 0.12 0.00 0.10 0.00 0.00 34.13 32.01 2jkt s GLU 369 CO 0.16 0.56 0.18 0.42 0.02 0.00 0.00 175.26 176.60 2jkt s ILE 370 N -0.60 0.88 0.34 -1.63 1.01 -0.82 -1.63 121.20 118.75 2jkt s ILE 370 Ca 0.09 -1.88 -0.29 0.00 0.00 0.00 0.00 60.65 58.57 2jkt s ILE 370 Cb -0.11 -1.64 -0.11 0.00 0.01 0.00 0.00 42.46 40.61 2jkt s ILE 370 CO 0.00 -0.83 1.55 -1.61 0.00 0.00 0.00 174.94 174.05 2jkt s GLU 371 N 1.04 4.11 -0.11 2.79 8.01 0.11 -2.88 118.70 131.77 2jkt s GLU 371 Ca 0.14 2.59 0.00 0.00 0.01 0.00 0.00 54.97 57.72 2jkt s GLU 371 Cb -0.21 -2.99 0.02 0.00 -4.31 0.00 0.00 34.13 26.64 2jkt s GLU 371 CO -0.10 -0.60 -0.10 -0.51 0.01 0.00 0.00 175.26 173.96 2jkt s LEU 372 N -1.30 1.36 0.28 1.80 1.43 -0.39 -0.59 118.68 121.28 2jkt s LEU 372 Ca 0.58 -0.33 -0.29 0.00 -1.03 0.00 0.00 54.13 53.06 2jkt s LEU 372 Cb -0.47 -0.90 -0.14 0.00 0.03 0.00 0.00 46.19 44.71 2jkt s LEU 372 CO 0.56 -0.08 1.11 0.18 0.23 0.00 0.00 176.35 178.35 2jkt n LEU 373 N 4.70 2.20 -0.36 1.79 4.77 0.93 -4.69 117.00 126.34 2jkt n LEU 373 Ca -0.15 1.18 -0.11 0.00 -0.03 0.00 0.00 56.01 56.90 2jkt n LEU 373 Cb 0.50 -1.33 -0.09 0.00 -2.33 0.00 0.00 43.42 40.17 2jkt n LEU 373 CO 0.19 -1.15 0.49 -0.65 -1.33 0.00 0.00 177.39 174.95 2jkt h PRO 374 N 2.40 -0.08 -3.63 3.23 0.11 -1.89 -3.48 132.00 128.66 2jkt h PRO 374 Ca -0.42 0.01 0.34 0.00 0.11 0.00 0.00 66.00 66.04 2jkt h PRO 374 Cb 1.32 0.02 -0.19 0.00 0.11 0.00 0.00 31.00 32.26 2jkt h PRO 374 CO 0.63 -0.05 -1.31 -2.37 -0.21 0.00 0.00 178.00 174.69 2jkt n THR 375 N -5.29 -1.11 -0.03 -1.15 5.66 -1.26 -4.79 114.28 106.31 2jkt n THR 375 Ca 0.01 1.02 -0.11 0.00 -3.05 0.00 0.00 64.05 61.92 2jkt n THR 375 Cb 0.29 -1.55 -0.14 0.00 -1.55 0.00 0.00 70.33 67.37 2jkt n THR 375 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2jkt n ASN 376 N -4.31 1.06 0.00 1.09 5.15 -1.26 -5.08 115.26 111.91 2jkt n ASN 376 Ca -0.09 0.32 0.00 0.00 -0.60 0.00 0.00 54.58 54.20 2jkt n ASN 376 Cb 0.70 -0.13 0.00 0.00 -0.53 0.00 0.00 39.78 39.82 2jkt n ASN 376 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 2jkt n ASP 377 N -3.11 0.00 0.00 1.20 5.75 -1.26 -5.04 116.55 114.09 2jkt n ASP 377 Ca -0.22 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.56 2jkt n ASP 377 Cb 1.06 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.15 2jkt n ASP 377 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2jkt n LYS 378 N 0.00 0.00 0.24 0.11 4.76 -1.26 -4.85 118.16 117.16 2jkt n LYS 378 Ca 0.00 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.35 2jkt n LYS 378 Cb 0.00 -3.54 -0.04 0.00 -1.84 0.00 0.00 35.03 29.61 2jkt n LYS 378 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 2jkt h LYS 379 N 0.71 -0.59 0.00 1.97 3.64 -2.03 -3.44 116.57 116.83 2jkt h LYS 379 Ca 0.00 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2jkt h LYS 379 Cb 0.00 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 2jkt h LYS 379 CO 0.00 -0.39 0.00 1.63 -2.27 0.00 0.00 179.45 178.42 2jkt n LYS 380 N -3.90 0.00 0.00 1.90 5.02 -1.26 -4.68 118.16 115.24 2jkt n LYS 380 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 2jkt n LYS 380 Cb 0.24 -1.99 0.00 0.00 -0.02 0.00 0.00 35.03 33.26 2jkt n LYS 380 CO 0.00 0.00 0.00 1.87 -0.52 0.00 0.00 177.40 178.75 2jkt n TRP 381 N -0.06 0.00 -0.92 2.13 -0.00 -1.26 -4.53 117.44 112.79 2jkt n TRP 381 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 2jkt n TRP 381 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 2jkt n TRP 381 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2jkt n ALA 382 N 0.00 0.00 -0.16 5.87 0.00 -1.26 -4.57 120.51 120.39 2jkt n ALA 382 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2jkt n ALA 382 Cb 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.22 2jkt n ALA 382 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2jkt n ARG 383 N 0.03 0.00 -0.78 0.00 1.85 -1.26 -4.85 116.66 111.64 2jkt n ARG 383 Ca 0.00 0.00 -0.34 0.00 -1.00 0.00 0.00 57.85 56.51 2jkt n ARG 383 Cb 0.36 0.00 0.13 0.00 -1.05 0.00 0.00 32.46 31.89 2jkt n ARG 383 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 2jkt n PRO 384 N 0.23 -0.83 -1.70 2.89 -0.04 -1.26 -4.68 135.00 129.61 2jkt n PRO 384 Ca 0.00 -0.22 -0.29 0.00 -0.04 0.00 0.00 63.50 62.95 2jkt n PRO 384 Cb 0.00 -1.62 0.10 0.00 -0.04 0.00 0.00 33.50 31.94 2jkt n PRO 384 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 2jkt s PRO 385 N -3.24 1.77 -0.47 0.54 0.02 -1.26 -4.48 135.00 127.88 2jkt s PRO 385 Ca 0.53 0.31 -0.25 0.00 0.02 0.00 0.00 61.00 61.61 2jkt s PRO 385 Cb -0.13 -1.91 0.03 0.00 0.02 0.00 0.00 34.50 32.50 2jkt s PRO 385 CO 0.68 -1.77 0.89 0.42 -0.33 0.00 0.00 177.00 176.89 2jkt s ILE 386 N -3.37 4.51 0.18 2.83 1.01 0.15 -4.63 121.20 121.88 2jkt s ILE 386 Ca 0.62 0.61 -0.19 0.00 0.00 0.00 0.00 60.65 61.68 2jkt s ILE 386 Cb -0.13 -4.42 -0.08 0.00 0.01 0.00 0.00 42.46 37.84 2jkt s ILE 386 CO 0.52 -0.84 0.68 -0.94 0.00 0.00 0.00 174.94 174.36 2jkt s SER 387 N 2.30 7.06 0.20 3.58 1.04 -1.22 -0.98 113.70 125.68 2jkt s SER 387 Ca 0.34 1.37 0.11 0.00 0.48 0.00 0.00 55.95 58.25 2jkt s SER 387 Cb -0.11 -2.40 -0.04 0.00 0.10 0.00 0.00 66.02 63.57 2jkt s SER 387 CO 0.25 0.10 -0.19 -0.04 0.98 0.00 0.00 173.24 174.33 2jkt s MET 388 N -1.76 1.69 -0.09 4.02 -1.94 -0.38 -1.20 119.30 119.64 2jkt s MET 388 Ca 0.39 -1.48 -0.03 0.00 -1.71 0.00 0.00 55.69 52.86 2jkt s MET 388 Cb -0.18 -1.93 0.05 0.00 2.01 0.00 0.00 34.83 34.79 2jkt s MET 388 CO 0.21 0.40 0.13 -0.80 -0.01 0.00 0.00 175.02 174.95 2jkt s ASN 389 N -2.81 1.03 0.34 3.03 -0.87 -0.78 -4.18 114.94 110.70 2jkt s ASN 389 Ca 0.23 0.15 -0.12 0.00 -1.57 0.00 0.00 52.86 51.54 2jkt s ASN 389 Cb -0.08 0.13 0.03 0.00 -0.02 0.00 0.00 41.25 41.31 2jkt s ASN 389 CO 0.12 -0.26 0.64 0.72 -2.57 0.00 0.00 177.10 175.75 2jkt s PHE 390 N 2.25 0.38 -0.15 2.20 -0.12 -1.26 -0.83 117.98 120.46 2jkt s PHE 390 Ca 0.04 -0.85 -0.13 0.00 -0.05 0.00 0.00 56.93 55.94 2jkt s PHE 390 Cb -0.13 0.46 0.04 0.00 -0.63 0.00 0.00 43.02 42.76 2jkt s PHE 390 CO -0.06 -1.31 0.39 -2.00 -0.05 0.00 0.00 175.22 172.19 2jkt s GLU 391 N -3.04 0.44 -0.05 1.99 2.12 -1.11 -2.25 118.70 116.80 2jkt s GLU 391 Ca 0.20 0.56 -0.10 0.00 0.36 0.00 0.00 54.97 55.99 2jkt s GLU 391 Cb -0.03 0.19 0.02 0.00 0.26 0.00 0.00 34.13 34.57 2jkt s GLU 391 CO 0.13 -0.07 0.25 0.14 -0.54 0.00 0.00 175.26 175.17 2jkt s VAL 392 N 0.33 0.03 -0.01 3.70 -7.23 -0.23 -1.64 120.40 115.35 2jkt s VAL 392 Ca -0.01 -0.27 0.00 0.00 -1.81 0.00 0.00 61.98 59.89 2jkt s VAL 392 Cb -0.03 -0.45 0.00 0.00 0.56 0.00 0.00 36.38 36.45 2jkt s VAL 392 CO -0.01 -0.15 0.57 -2.65 -0.31 0.00 0.00 175.10 172.55 2jkt n PRO 393 N 2.17 0.57 -3.96 4.82 -0.02 -1.26 -0.29 135.00 137.04 2jkt n PRO 393 Ca -0.17 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.20 2jkt n PRO 393 Cb 0.57 -1.21 -0.02 0.00 -0.02 0.00 0.00 33.50 32.81 2jkt n PRO 393 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 2jkt s PHE 394 N 0.41 0.48 -0.34 6.00 -0.12 -1.26 -4.64 117.98 118.50 2jkt s PHE 394 Ca 0.00 -0.89 -0.08 0.00 -0.05 0.00 0.00 56.93 55.91 2jkt s PHE 394 Cb 0.00 0.32 0.03 0.00 -0.63 0.00 0.00 43.02 42.75 2jkt s PHE 394 CO 0.00 -1.22 0.13 0.00 -0.05 0.00 0.00 175.22 174.08 2jkt s ALA 395 N -3.22 3.11 -0.15 1.99 0.00 -1.26 -3.44 121.76 118.79 2jkt s ALA 395 Ca 0.22 -1.71 0.07 0.00 0.00 0.00 0.00 51.96 50.54 2jkt s ALA 395 Cb -0.02 -2.34 0.38 0.00 0.00 0.00 0.00 23.12 21.13 2jkt s ALA 395 CO 0.13 -1.31 1.04 -2.30 0.00 0.00 0.00 175.76 173.33 2jkt n PRO 396 N 4.87 0.05 0.17 0.00 -0.02 -1.26 0.77 135.00 139.58 2jkt n PRO 396 Ca -0.12 0.44 0.05 0.00 -2.02 0.00 0.00 63.50 61.84 2jkt n PRO 396 Cb 0.45 -1.98 0.24 0.00 -0.02 0.00 0.00 33.50 32.20 2jkt n PRO 396 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2jkt h SER 397 N 0.00 0.00 0.00 2.55 4.64 -1.92 -0.28 113.55 118.54 2jkt h SER 397 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jkt h SER 397 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 2jkt h SER 397 CO 0.00 0.42 0.00 0.61 -0.87 0.00 0.00 176.83 176.99 2jkt n GLY 398 N 0.54 0.45 3.67 -0.77 0.00 0.23 -4.65 105.19 104.66 2jkt n GLY 398 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2jkt n GLY 398 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2jkt n LEU 399 N 0.00 4.59 -3.67 0.99 7.94 -1.25 -4.90 117.00 120.70 2jkt n LEU 399 Ca 0.00 0.73 -0.09 0.00 -1.11 0.00 0.00 56.01 55.54 2jkt n LEU 399 Cb 0.00 -1.47 -0.10 0.00 0.53 0.00 0.00 43.42 42.38 2jkt n LEU 399 CO 0.00 -1.59 0.07 -0.54 -1.11 0.00 0.00 177.39 174.22 2jkt s LYS 400 N -3.39 0.39 -0.56 1.96 1.02 -1.26 -4.45 119.74 113.45 2jkt s LYS 400 Ca 0.77 0.95 -0.28 0.00 0.02 0.00 0.00 55.97 57.44 2jkt s LYS 400 Cb -0.36 0.18 0.02 0.00 -0.52 0.00 0.00 37.83 37.15 2jkt s LYS 400 CO 0.46 -0.20 1.30 0.08 -0.92 0.00 0.00 175.35 176.07 2jkt s VAL 401 N 2.00 3.91 -0.13 3.17 1.01 -1.26 -2.53 120.40 126.57 2jkt s VAL 401 Ca -0.06 0.81 0.16 0.00 0.00 0.00 0.00 61.98 62.90 2jkt s VAL 401 Cb -0.10 -4.57 -0.07 0.00 0.00 0.00 0.00 36.38 31.64 2jkt s VAL 401 CO -0.14 -1.23 1.03 0.03 0.00 0.00 0.00 175.10 174.79 2jkt h ARG 402 N 10.25 0.00 -1.20 2.72 2.47 -1.28 -3.48 114.38 123.86 2jkt h ARG 402 Ca -0.26 0.00 0.28 0.00 -1.26 0.00 0.00 59.98 58.74 2jkt h ARG 402 Cb 1.07 0.00 -0.22 0.00 -1.65 0.00 0.00 29.97 29.18 2jkt h ARG 402 CO 1.18 0.35 0.91 1.52 0.56 0.00 0.00 179.97 184.49 2jkt s TYR 403 N -2.95 -0.06 -0.27 3.04 -0.85 -0.51 -4.97 117.35 110.78 2jkt s TYR 403 Ca -0.01 0.06 -0.01 0.00 -0.52 0.00 0.00 57.07 56.59 2jkt s TYR 403 Cb 0.08 0.50 0.13 0.00 0.38 0.00 0.00 41.96 43.06 2jkt s TYR 403 CO 0.79 -0.09 0.32 -1.17 -1.52 0.00 0.00 175.55 173.88 2jkt s LEU 404 N -1.84 -0.39 -0.20 -3.49 2.96 -1.26 -1.31 118.68 113.15 2jkt s LEU 404 Ca 0.10 -0.44 -0.10 0.00 -0.22 0.00 0.00 54.13 53.47 2jkt s LEU 404 Cb -0.01 0.70 -0.05 0.00 0.50 0.00 0.00 46.19 47.33 2jkt s LEU 404 CO -0.04 -0.36 0.14 -0.75 -1.32 0.00 0.00 176.35 174.02 2jkt s LYS 405 N 2.42 4.17 -0.21 1.98 2.20 -0.40 -4.93 119.74 124.98 2jkt s LYS 405 Ca 0.10 -0.22 -0.10 0.00 -0.36 0.00 0.00 55.97 55.39 2jkt s LYS 405 Cb -0.14 -3.44 -0.05 0.00 -1.51 0.00 0.00 37.83 32.69 2jkt s LYS 405 CO -0.26 0.26 0.13 0.08 -0.36 0.00 0.00 175.35 175.20 2jkt s VAL 406 N 0.47 5.28 -0.12 4.02 1.01 -1.26 -0.13 120.40 129.66 2jkt s VAL 406 Ca 0.08 0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.22 2jkt s VAL 406 Cb -0.11 -3.42 0.02 0.00 0.00 0.00 0.00 36.38 32.86 2jkt s VAL 406 CO -0.01 0.41 -0.14 0.12 0.00 0.00 0.00 175.10 175.48 2jkt s PHE 407 N 0.63 2.01 -0.16 5.22 2.19 -0.81 -4.28 117.98 122.78 2jkt s PHE 407 Ca 0.07 -1.03 -0.04 0.00 0.33 0.00 0.00 56.93 56.26 2jkt s PHE 407 Cb -0.12 -1.48 0.07 0.00 -1.31 0.00 0.00 43.02 40.18 2jkt s PHE 407 CO 0.01 -0.56 0.14 -2.00 1.83 0.00 0.00 175.22 174.64 2jkt s GLU 408 N 1.25 0.09 -0.00 10.12 2.56 -1.26 -0.57 118.70 130.88 2jkt s GLU 408 Ca -0.01 0.14 0.11 0.00 0.00 0.00 0.00 54.97 55.21 2jkt s GLU 408 Cb -0.14 -1.30 -0.23 0.00 2.00 0.00 0.00 34.13 34.47 2jkt s GLU 408 CO -0.06 -0.59 0.81 -1.00 -0.56 0.00 0.00 175.26 173.87 2jkt h PRO 409 N 8.38 0.01 0.39 4.30 0.14 -1.96 -0.89 132.00 142.36 2jkt h PRO 409 Ca -0.15 -0.01 -0.02 0.00 0.14 0.00 0.00 66.00 65.96 2jkt h PRO 409 Cb 1.14 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.29 2jkt h PRO 409 CO 0.26 0.63 -0.19 0.87 0.14 0.00 0.00 178.00 179.71 2jkt h LYS 410 N 0.00 -0.51 0.00 0.86 6.56 -1.97 -3.29 116.57 118.23 2jkt h LYS 410 Ca -0.22 0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.41 2jkt h LYS 410 Cb 1.96 0.12 0.00 0.00 -0.57 0.00 0.00 32.23 33.73 2jkt h LYS 410 CO 0.09 -0.25 -0.19 1.28 -2.06 0.00 0.00 179.45 178.33 2jkt n LEU 411 N -5.14 0.52 -3.33 2.94 4.77 -1.26 -4.95 117.00 110.56 2jkt n LEU 411 Ca -0.08 0.41 -0.22 0.00 -0.03 0.00 0.00 56.01 56.10 2jkt n LEU 411 Cb 0.26 -0.33 -0.05 0.00 -2.33 0.00 0.00 43.42 40.96 2jkt n LEU 411 CO 0.22 -0.07 -0.16 -0.46 -1.33 0.00 0.00 177.39 175.59 2jkt n ASN 412 N -1.92 -0.44 -4.78 -1.43 6.94 -0.34 -4.93 115.26 108.36 2jkt n ASN 412 Ca 0.06 -0.71 -0.34 0.00 -0.02 0.00 0.00 54.58 53.56 2jkt n ASN 412 Cb 0.39 -0.90 -0.00 0.00 -2.36 0.00 0.00 39.78 36.92 2jkt n ASN 412 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 2jkt s TYR 413 N -2.83 2.76 0.13 -2.53 -0.85 -1.26 -4.95 117.35 107.82 2jkt s TYR 413 Ca 0.29 1.55 -0.31 0.00 -0.52 0.00 0.00 57.07 58.08 2jkt s TYR 413 Cb -0.17 -3.20 -0.09 0.00 0.38 0.00 0.00 41.96 38.88 2jkt s TYR 413 CO 0.57 -1.38 1.48 0.45 -1.52 0.00 0.00 175.55 175.15 2jkt s SER 414 N -2.00 6.72 0.58 -0.18 0.15 -1.26 -4.74 113.70 112.96 2jkt s SER 414 Ca 0.70 2.44 0.32 0.00 0.70 0.00 0.00 55.95 60.11 2jkt s SER 414 Cb -0.21 -2.59 1.40 0.00 -1.71 0.00 0.00 66.02 62.91 2jkt s SER 414 CO 0.28 -0.74 1.73 -0.78 1.20 0.00 0.00 173.24 174.93 2jkt h ASP 415 N 6.94 0.00 1.77 5.45 -0.00 -1.93 0.27 116.42 128.92 2jkt h ASP 415 Ca -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.61 2jkt h ASP 415 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.54 2jkt h ASP 415 CO 0.89 0.00 0.00 0.45 -0.00 0.00 0.00 179.24 180.58 2jkt h HIS 416 N 0.00 0.00 -0.63 0.28 3.86 -1.92 -3.15 115.15 113.59 2jkt h HIS 416 Ca 0.41 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.62 2jkt h HIS 416 Cb 2.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.47 2jkt h HIS 416 CO 0.00 0.00 0.00 -0.25 0.86 0.00 0.00 177.93 178.54 2jkt n ASP 417 N -2.76 3.39 -4.64 2.45 8.00 0.95 -4.85 116.55 119.09 2jkt n ASP 417 Ca 0.05 -2.00 -0.40 0.00 0.71 0.00 0.00 54.79 53.14 2jkt n ASP 417 Cb 0.48 -0.42 -0.06 0.00 -0.02 0.00 0.00 41.12 41.10 2jkt n ASP 417 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2jkt s VAL 418 N -1.16 5.03 0.02 2.53 1.01 -1.19 -4.44 120.40 122.20 2jkt s VAL 418 Ca 0.42 1.08 -0.30 0.00 0.00 0.00 0.00 61.98 63.18 2jkt s VAL 418 Cb 0.22 -3.91 -0.06 0.00 0.00 0.00 0.00 36.38 32.64 2jkt s VAL 418 CO 0.29 0.08 1.35 -0.63 0.00 0.00 0.00 175.10 176.19 2jkt s ILE 419 N 2.17 3.75 -0.10 2.22 -1.09 0.28 -4.95 121.20 123.46 2jkt s ILE 419 Ca 0.26 1.17 -0.02 0.00 -2.23 0.00 0.00 60.65 59.83 2jkt s ILE 419 Cb -0.16 -3.75 0.04 0.00 -1.58 0.00 0.00 42.46 37.01 2jkt s ILE 419 CO 0.09 0.03 0.02 -0.54 -1.23 0.00 0.00 174.94 173.31 2jkt s LYS 420 N 1.98 0.54 0.08 2.79 1.02 -1.26 -1.14 119.74 123.75 2jkt s LYS 420 Ca 0.62 -0.01 0.05 0.00 0.02 0.00 0.00 55.97 56.65 2jkt s LYS 420 Cb -0.31 -1.27 -0.03 0.00 -0.52 0.00 0.00 37.83 35.70 2jkt s LYS 420 CO 0.27 -0.41 -0.13 1.67 -0.92 0.00 0.00 175.35 175.83 2jkt s TRP 421 N 1.97 1.18 -0.09 3.18 -2.14 -1.20 -5.06 118.94 116.78 2jkt s TRP 421 Ca 0.03 -0.49 -0.08 0.00 2.66 0.00 0.00 56.10 58.22 2jkt s TRP 421 Cb -0.14 -0.66 0.02 0.00 -3.10 0.00 0.00 33.47 29.60 2jkt s TRP 421 CO -0.06 0.05 0.25 0.54 -2.66 0.00 0.00 176.95 175.07 2jkt s VAL 422 N -1.44 -0.00 -0.00 -0.66 0.11 -1.26 -1.66 120.40 115.48 2jkt s VAL 422 Ca -0.01 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.07 2jkt s VAL 422 Cb -0.09 -0.35 -0.01 0.00 -1.53 0.00 0.00 36.38 34.40 2jkt s VAL 422 CO 0.02 0.00 -0.10 0.00 -3.33 0.00 0.00 175.10 171.69 2jkt s ARG 423 N 0.17 0.78 0.18 1.54 1.70 -0.67 -4.95 118.95 117.69 2jkt s ARG 423 Ca -0.00 -0.40 -0.04 0.00 -0.47 0.00 0.00 55.73 54.81 2jkt s ARG 423 Cb -0.02 -0.75 -0.05 0.00 -0.57 0.00 0.00 34.95 33.56 2jkt s ARG 423 CO 0.00 0.20 0.42 0.71 -1.08 0.00 0.00 175.30 175.55 2jkt s TYR 424 N -0.34 3.47 -0.39 5.89 1.51 -1.26 -1.22 117.35 125.00 2jkt s TYR 424 Ca 0.03 0.54 0.03 0.00 -1.01 0.00 0.00 57.07 56.66 2jkt s TYR 424 Cb -0.04 -2.00 0.16 0.00 -0.11 0.00 0.00 41.96 39.96 2jkt s TYR 424 CO -0.00 0.37 0.35 0.42 -1.11 0.00 0.00 175.55 175.59 2jkt s ILE 425 N -1.77 -0.09 -0.48 2.71 -1.09 -0.08 -4.39 121.20 116.01 2jkt s ILE 425 Ca 0.41 -1.63 -0.23 0.00 -2.23 0.00 0.00 60.65 56.98 2jkt s ILE 425 Cb -0.12 -0.88 0.03 0.00 -1.58 0.00 0.00 42.46 39.91 2jkt s ILE 425 CO 0.26 -0.82 0.80 -0.83 -1.23 0.00 0.00 174.94 173.12 2jkt s GLY 426 N 0.91 1.57 0.22 6.18 0.00 0.61 -1.43 107.32 115.38 2jkt s GLY 426 Ca 0.23 -1.14 0.05 0.00 0.00 0.00 0.00 44.72 43.85 2jkt s GLY 426 CO -0.06 1.81 0.32 0.50 0.00 0.00 0.00 173.10 175.66 2jkt s ARG 427 N 3.37 3.37 -0.07 2.90 0.52 0.25 -1.06 118.95 128.22 2jkt s ARG 427 Ca 0.28 -0.76 -0.24 0.00 -0.52 0.00 0.00 55.73 54.49 2jkt s ARG 427 Cb -0.13 -2.86 -0.03 0.00 0.52 0.00 0.00 34.95 32.44 2jkt s ARG 427 CO 0.21 0.45 0.74 -1.54 0.02 0.00 0.00 175.30 175.18 2jkt s SER 428 N -3.75 7.03 0.00 0.23 1.04 -0.96 -1.91 113.70 115.38 2jkt s SER 428 Ca 0.34 1.24 0.00 0.00 0.48 0.00 0.00 55.95 58.01 2jkt s SER 428 Cb -0.09 -2.43 0.00 0.00 0.10 0.00 0.00 66.02 63.59 2jkt s SER 428 CO 0.28 -0.15 0.00 0.61 0.98 0.00 0.00 173.24 174.96 2jkt n GLY 429 N 3.11 0.61 3.38 7.32 0.00 -0.59 -4.85 105.19 114.18 2jkt n GLY 429 Ca 0.00 -0.02 -0.45 0.00 0.00 0.00 0.00 46.02 45.55 2jkt n GLY 429 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2jkt s ILE 430 N 0.00 5.05 -0.93 -0.61 -4.36 -1.26 -4.96 121.20 114.13 2jkt s ILE 430 Ca 0.00 -1.01 -0.04 0.00 -0.26 0.00 0.00 60.65 59.34 2jkt s ILE 430 Cb 0.00 -4.30 0.23 0.00 1.25 0.00 0.00 42.46 39.64 2jkt s ILE 430 CO 0.00 -0.82 0.83 -0.47 0.24 0.00 0.00 174.94 174.72 2jkt s TYR 431 N 2.10 3.95 -0.17 1.37 5.04 -1.26 -2.55 117.35 125.83 2jkt s TYR 431 Ca 0.08 -2.89 -0.07 0.00 -2.44 0.00 0.00 57.07 51.75 2jkt s TYR 431 Cb -0.24 -3.40 -0.04 0.00 0.35 0.00 0.00 41.96 38.63 2jkt s TYR 431 CO 0.07 -0.80 0.05 -1.21 -1.34 0.00 0.00 175.55 172.31 2jkt s GLU 432 N -1.19 3.87 -0.09 4.97 2.02 -0.64 -1.25 118.70 126.38 2jkt s GLU 432 Ca 0.27 -0.37 -0.01 0.00 0.02 0.00 0.00 54.97 54.89 2jkt s GLU 432 Cb -0.09 -3.15 -0.03 0.00 0.10 0.00 0.00 34.13 30.97 2jkt s GLU 432 CO -0.11 0.31 -0.04 0.99 0.02 0.00 0.00 175.26 176.43 2jkt s THR 433 N 0.26 3.93 0.15 3.63 2.01 -0.15 -1.49 115.64 123.97 2jkt s THR 433 Ca 0.03 -0.38 -0.30 0.00 0.31 0.00 0.00 61.69 61.35 2jkt s THR 433 Cb -0.13 -2.65 -0.07 0.00 0.01 0.00 0.00 72.50 69.67 2jkt s THR 433 CO 0.01 0.58 1.01 -0.13 -0.69 0.00 0.00 174.62 175.39 2jkt s ARG 434 N -0.58 4.68 0.00 4.92 0.52 0.13 0.31 118.95 128.93 2jkt s ARG 434 Ca 0.09 1.54 0.28 0.00 -0.52 0.00 0.00 55.73 57.13 2jkt s ARG 434 Cb -0.12 -3.33 1.14 0.00 0.52 0.00 0.00 34.95 33.16 2jkt s ARG 434 CO 0.02 0.20 1.80 0.00 0.02 0.00 0.00 175.30 177.34