#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jkr s ILE 2 N 0.00 3.25 -0.12 2.02 1.01 -0.75 -4.66 121.20 121.95 2jkr s ILE 2 Ca 0.00 0.28 0.09 0.00 0.00 0.00 0.00 60.65 61.02 2jkr s ILE 2 Cb 0.00 -3.23 -0.24 0.00 0.01 0.00 0.00 42.46 39.00 2jkr s ILE 2 CO 0.00 -0.08 0.37 0.61 0.00 0.00 0.00 174.94 175.84 2jkr n GLY 3 N 4.83 -0.85 3.06 6.18 0.00 0.51 -3.83 105.19 115.09 2jkr n GLY 3 Ca 0.22 -0.17 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 2jkr n GLY 3 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jkr s GLY 4 N -5.44 0.16 -0.08 -0.02 0.00 -0.30 0.22 107.32 101.87 2jkr s GLY 4 Ca -0.12 -0.44 -0.02 0.00 0.00 0.00 0.00 44.72 44.14 2jkr s GLY 4 CO 0.79 -0.55 0.03 -2.27 0.00 0.00 0.00 173.10 171.11 2jkr s LEU 5 N -1.62 0.43 -0.05 0.66 2.96 0.51 -1.34 118.68 120.24 2jkr s LEU 5 Ca -0.13 -0.12 0.03 0.00 -0.22 0.00 0.00 54.13 53.70 2jkr s LEU 5 Cb -0.07 -0.32 0.01 0.00 0.50 0.00 0.00 46.19 46.31 2jkr s LEU 5 CO -0.01 -0.24 -0.13 -0.36 -1.32 0.00 0.00 176.35 174.29 2jkr s PHE 6 N 2.06 1.41 -0.15 5.38 0.08 0.69 -1.08 117.98 126.35 2jkr s PHE 6 Ca 0.04 -0.44 0.01 0.00 0.12 0.00 0.00 56.93 56.66 2jkr s PHE 6 Cb -0.13 -1.00 0.02 0.00 -0.57 0.00 0.00 43.02 41.35 2jkr s PHE 6 CO -0.05 -0.20 -0.17 0.42 -0.10 0.00 0.00 175.22 175.13 2jkr s ILE 7 N 0.35 1.76 0.19 0.64 1.01 -0.32 0.43 121.20 125.26 2jkr s ILE 7 Ca -0.08 -0.76 0.09 0.00 0.00 0.00 0.00 60.65 59.90 2jkr s ILE 7 Cb -0.13 -1.61 -0.04 0.00 0.01 0.00 0.00 42.46 40.69 2jkr s ILE 7 CO 0.02 0.49 -0.09 -0.31 0.00 0.00 0.00 174.94 175.05 2jkr s TYR 8 N 1.32 2.62 0.84 3.97 1.51 0.16 0.41 117.35 128.19 2jkr s TYR 8 Ca 0.03 -0.23 -0.11 0.00 -1.01 0.00 0.00 57.07 55.75 2jkr s TYR 8 Cb -0.13 -1.27 0.14 0.00 -0.11 0.00 0.00 41.96 40.59 2jkr s TYR 8 CO -0.10 0.52 1.18 0.54 -1.11 0.00 0.00 175.55 176.59 2jkr s ASN 9 N -2.90 3.87 0.27 2.29 6.03 -1.00 -0.95 114.94 122.56 2jkr s ASN 9 Ca 0.25 0.25 0.00 0.00 -1.03 0.00 0.00 52.86 52.33 2jkr s ASN 9 Cb -0.08 -0.53 0.62 0.00 -3.03 0.00 0.00 41.25 38.22 2jkr s ASN 9 CO 0.15 -2.23 1.68 1.12 -2.03 0.00 0.00 177.10 175.79 2jkr h HIS 10 N -1.14 0.46 0.00 1.54 2.07 -1.58 0.23 115.15 116.72 2jkr h HIS 10 Ca -0.43 0.04 -0.00 0.00 -2.85 0.00 0.00 60.37 57.13 2jkr h HIS 10 Cb 1.27 -0.07 -0.00 0.00 2.57 0.00 0.00 27.41 31.18 2jkr h HIS 10 CO -0.48 -0.08 -0.01 0.87 -3.07 0.00 0.00 177.93 175.15 2jkr h LYS 11 N 0.32 0.00 0.00 5.12 1.57 -1.93 -3.46 116.57 118.19 2jkr h LYS 11 Ca 0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.28 2jkr h LYS 11 Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.23 2jkr h LYS 11 CO -0.54 0.01 0.00 0.41 -0.57 0.00 0.00 179.45 178.75 2jkr n GLY 12 N -1.11 0.74 3.77 3.86 0.00 0.81 -5.04 105.19 108.23 2jkr n GLY 12 Ca -0.03 -0.63 -0.39 0.00 0.00 0.00 0.00 46.02 44.97 2jkr n GLY 12 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jkr s GLU 13 N -1.64 4.47 -0.04 1.61 2.02 -1.26 -4.89 118.70 118.97 2jkr s GLU 13 Ca 0.00 1.03 -0.30 0.00 0.02 0.00 0.00 54.97 55.72 2jkr s GLU 13 Cb 0.00 -3.30 -0.04 0.00 0.10 0.00 0.00 34.13 30.89 2jkr s GLU 13 CO 0.00 0.47 1.33 0.08 0.02 0.00 0.00 175.26 177.16 2jkr s VAL 14 N -0.71 3.95 -0.25 2.63 1.01 -1.26 -2.37 120.40 123.40 2jkr s VAL 14 Ca 0.35 1.29 -0.15 0.00 0.00 0.00 0.00 61.98 63.47 2jkr s VAL 14 Cb -0.21 -3.83 -0.15 0.00 0.00 0.00 0.00 36.38 32.19 2jkr s VAL 14 CO 0.23 -0.02 -0.15 0.18 0.00 0.00 0.00 175.10 175.34 2jkr n LEU 15 N 5.56 2.01 -4.10 3.92 4.77 0.16 -4.97 117.00 124.35 2jkr n LEU 15 Ca 0.13 0.33 -0.22 0.00 -0.03 0.00 0.00 56.01 56.22 2jkr n LEU 15 Cb 0.45 -0.88 -0.15 0.00 -2.33 0.00 0.00 43.42 40.51 2jkr n LEU 15 CO 0.57 0.52 -0.47 -0.63 -1.33 0.00 0.00 177.39 176.05 2jkr s ILE 16 N -2.47 1.06 -0.16 -0.08 1.01 -1.04 -4.98 121.20 114.54 2jkr s ILE 16 Ca -0.35 -0.63 -0.04 0.00 0.00 0.00 0.00 60.65 59.63 2jkr s ILE 16 Cb 0.12 -0.90 0.08 0.00 0.01 0.00 0.00 42.46 41.77 2jkr s ILE 16 CO 0.54 0.26 0.21 -0.55 0.00 0.00 0.00 174.94 175.40 2jkr s SER 17 N -0.42 1.10 -0.18 3.58 0.15 -1.26 -1.17 113.70 115.50 2jkr s SER 17 Ca 0.05 0.02 -0.01 0.00 0.70 0.00 0.00 55.95 56.71 2jkr s SER 17 Cb -0.05 0.38 0.05 0.00 -1.71 0.00 0.00 66.02 64.69 2jkr s SER 17 CO -0.00 -0.29 -0.01 -0.13 1.20 0.00 0.00 173.24 174.00 2jkr s ARG 18 N 2.33 1.08 -0.23 5.44 1.81 -0.25 -5.00 118.95 124.13 2jkr s ARG 18 Ca 0.05 -0.51 -0.09 0.00 -1.72 0.00 0.00 55.73 53.46 2jkr s ARG 18 Cb -0.14 -2.07 -0.04 0.00 -0.45 0.00 0.00 34.95 32.24 2jkr s ARG 18 CO -0.10 -0.54 0.10 0.08 -0.68 0.00 0.00 175.30 174.17 2jkr s VAL 19 N 1.71 4.85 -1.47 3.52 1.01 -1.26 -0.37 120.40 128.39 2jkr s VAL 19 Ca -0.01 0.00 0.15 0.00 0.00 0.00 0.00 61.98 62.13 2jkr s VAL 19 Cb -0.16 -3.25 0.01 0.00 0.00 0.00 0.00 36.38 32.98 2jkr s VAL 19 CO -0.07 0.37 0.85 -1.22 0.00 0.00 0.00 175.10 175.03 2jkr n TYR 20 N 4.30 0.00 -3.74 5.22 4.02 0.61 -4.98 117.16 122.60 2jkr n TYR 20 Ca -0.16 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.60 2jkr n TYR 20 Cb 0.52 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.74 2jkr n TYR 20 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 2jkr s ARG 21 N -1.78 0.47 0.54 -0.72 6.06 -1.17 -4.62 118.95 117.73 2jkr s ARG 21 Ca 0.13 0.56 0.24 0.00 -2.50 0.00 0.00 55.73 54.16 2jkr s ARG 21 Cb 0.12 0.23 1.41 0.00 0.06 0.00 0.00 34.95 36.77 2jkr s ARG 21 CO 0.37 -0.06 2.05 -0.44 -2.50 0.00 0.00 175.30 174.72 2jkr h ASP 22 N 5.53 0.00 -1.21 -2.12 3.32 -1.94 -3.16 116.42 116.83 2jkr h ASP 22 Ca -0.27 0.00 0.35 0.00 0.02 0.00 0.00 57.03 57.13 2jkr h ASP 22 Cb 1.18 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.68 2jkr h ASP 22 CO 0.25 0.00 0.90 0.44 -1.72 0.00 0.00 179.24 179.12 2jkr h ASP 23 N 0.00 0.00 0.00 6.45 3.32 -1.97 -3.37 116.42 120.85 2jkr h ASP 23 Ca 0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 2jkr h ASP 23 Cb 0.69 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.24 2jkr h ASP 23 CO -0.00 0.00 0.00 -0.38 -1.72 0.00 0.00 179.24 177.14 2jkr n ILE 24 N -4.09 0.00 -1.29 0.35 2.08 -1.20 -5.00 119.36 110.22 2jkr n ILE 24 Ca 0.26 0.09 0.00 0.00 0.56 0.00 0.00 62.75 63.66 2jkr n ILE 24 Cb 1.30 -0.42 0.00 0.00 -0.75 0.00 0.00 39.64 39.76 2jkr n ILE 24 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2jkr n GLY 25 N 2.31 -2.36 0.06 7.39 0.00 -1.26 -4.10 105.19 107.23 2jkr n GLY 25 Ca 0.00 -1.57 0.03 0.00 0.00 0.00 0.00 46.02 44.48 2jkr n GLY 25 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2jkr n ARG 26 N -0.56 0.04 0.00 1.61 3.00 -1.26 -3.41 116.66 116.08 2jkr n ARG 26 Ca 0.00 0.51 0.00 0.00 -0.00 0.00 0.00 57.85 58.36 2jkr n ARG 26 Cb 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 32.46 30.76 2jkr n ARG 26 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2jkr n ASN 27 N -1.71 0.00 -4.56 6.15 3.02 -1.26 -3.89 115.26 113.02 2jkr n ASN 27 Ca -0.00 0.07 -0.29 0.00 -0.03 0.00 0.00 54.58 54.32 2jkr n ASN 27 Cb 0.06 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.19 2jkr n ASN 27 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jkr s ALA 28 N -2.16 1.83 0.00 5.41 0.00 -1.22 -2.36 121.76 123.26 2jkr s ALA 28 Ca 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 51.96 50.43 2jkr s ALA 28 Cb 0.00 -4.53 0.00 0.00 0.00 0.00 0.00 23.12 18.59 2jkr s ALA 28 CO 0.00 -4.59 0.00 1.55 0.00 0.00 0.00 175.76 172.72 2jkr n VAL 29 N 7.70 0.00 0.06 0.00 3.14 -1.26 -4.78 118.33 123.19 2jkr n VAL 29 Ca 0.37 0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.67 2jkr n VAL 29 Cb 0.48 0.00 0.05 0.00 -1.06 0.00 0.00 33.84 33.31 2jkr n VAL 29 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 2jkr h ASP 30 N 0.00 0.41 -0.26 6.55 3.58 -1.65 -2.71 116.42 122.34 2jkr h ASP 30 Ca 0.00 -0.26 0.05 0.00 0.42 0.00 0.00 57.03 57.24 2jkr h ASP 30 Cb 0.00 -0.12 -0.05 0.00 1.72 0.00 0.00 39.33 40.88 2jkr h ASP 30 CO 0.00 0.99 -0.04 0.00 -2.88 0.00 0.00 179.24 177.30 2jkr h ALA 31 N 1.01 0.19 -0.32 -0.78 0.00 -1.73 0.91 119.26 118.54 2jkr h ALA 31 Ca -0.02 0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 2jkr h ALA 31 Cb 1.26 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 2jkr h ALA 31 CO 0.12 -0.45 -0.40 0.35 0.00 0.00 0.00 179.25 178.87 2jkr h PHE 32 N 0.03 0.93 0.61 0.00 3.57 -1.85 -3.07 116.94 117.17 2jkr h PHE 32 Ca 0.13 -0.28 -0.03 0.00 3.53 0.00 0.00 57.97 61.32 2jkr h PHE 32 Cb 0.18 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 2jkr h PHE 32 CO -0.24 1.05 -0.42 -0.09 -2.23 0.00 0.00 178.31 176.38 2jkr h ARG 33 N 0.64 -0.95 -0.20 1.11 2.43 -0.95 -0.44 114.38 116.03 2jkr h ARG 33 Ca 0.05 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 2jkr h ARG 33 Cb 0.95 0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 2jkr h ARG 33 CO 0.09 -0.63 0.00 1.55 -1.51 0.00 0.00 179.97 179.47 2jkr n VAL 34 N -5.05 0.26 0.00 0.20 3.14 0.22 -0.79 118.33 116.31 2jkr n VAL 34 Ca -0.12 -0.27 0.00 0.00 -2.96 0.00 0.00 64.34 60.99 2jkr n VAL 34 Cb 0.42 0.13 0.00 0.00 -1.06 0.00 0.00 33.84 33.33 2jkr n VAL 34 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 2jkr n ASN 35 N 0.09 2.78 -0.08 6.55 3.02 -1.16 -4.55 115.26 121.91 2jkr n ASN 35 Ca 0.07 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.46 2jkr n ASN 35 Cb 0.18 0.27 -0.05 0.00 -0.61 0.00 0.00 39.78 39.57 2jkr n ASN 35 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2jkr n VAL 36 N -1.35 1.12 -0.06 2.41 0.31 -0.20 -4.19 118.33 116.37 2jkr n VAL 36 Ca 0.00 -0.13 -0.12 0.00 -0.01 0.00 0.00 64.34 64.09 2jkr n VAL 36 Cb 0.28 -1.84 -0.05 0.00 -0.91 0.00 0.00 33.84 31.31 2jkr n VAL 36 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2jkr h ILE 37 N -0.66 1.26 -1.00 2.52 2.04 -1.11 -2.81 117.51 117.74 2jkr h ILE 37 Ca -0.34 -0.89 -0.67 0.00 1.00 0.00 0.00 64.86 63.96 2jkr h ILE 37 Cb 1.21 1.48 -0.28 0.00 -0.74 0.00 0.00 36.82 38.49 2jkr h ILE 37 CO -0.21 0.27 0.86 1.41 0.00 0.00 0.00 178.15 180.48 2jkr n HIS 38 N -4.70 3.16 -1.68 1.37 8.25 0.03 -4.98 115.22 116.67 2jkr n HIS 38 Ca -0.05 -2.97 -0.34 0.00 -0.26 0.00 0.00 57.72 54.10 2jkr n HIS 38 Cb 0.23 -1.43 0.06 0.00 1.12 0.00 0.00 29.99 29.97 2jkr n HIS 38 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jkr s ALA 39 N -3.74 2.36 0.00 -1.41 0.00 -1.06 -4.60 121.76 113.29 2jkr s ALA 39 Ca 0.63 0.70 0.00 0.00 0.00 0.00 0.00 51.96 53.29 2jkr s ALA 39 Cb 0.50 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 20.24 2jkr s ALA 39 CO -0.02 -1.46 0.00 0.54 0.00 0.00 0.00 175.76 174.82 2jkr n ARG 40 N -2.43 0.00 0.17 0.00 1.74 -1.26 -4.90 116.66 109.98 2jkr n ARG 40 Ca 0.12 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.33 2jkr n ARG 40 Cb 0.51 0.00 0.34 0.00 -1.02 0.00 0.00 32.46 32.29 2jkr n ARG 40 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2jkr h GLN 41 N 0.00 0.00 -6.42 5.56 4.20 -1.95 -3.45 115.11 113.05 2jkr h GLN 41 Ca 0.00 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 58.17 2jkr h GLN 41 Cb 0.00 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 2jkr h GLN 41 CO 0.00 0.00 0.66 -1.14 -0.67 0.00 0.00 178.83 177.68 2jkr s GLN 42 N -3.21 4.37 -0.34 1.46 2.00 -1.26 -5.00 119.66 117.68 2jkr s GLN 42 Ca 0.08 1.81 -0.26 0.00 -2.00 0.00 0.00 55.36 54.98 2jkr s GLN 42 Cb 0.09 -3.43 0.01 0.00 0.80 0.00 0.00 33.01 30.48 2jkr s GLN 42 CO 0.60 -0.38 0.95 0.14 -0.50 0.00 0.00 175.29 176.10 2jkr s VAL 43 N 1.61 4.59 0.69 1.34 -7.23 -1.26 -4.94 120.40 115.20 2jkr s VAL 43 Ca 0.59 1.36 -0.15 0.00 -1.81 0.00 0.00 61.98 61.98 2jkr s VAL 43 Cb -0.29 -4.33 0.02 0.00 0.56 0.00 0.00 36.38 32.33 2jkr s VAL 43 CO 0.27 -0.48 1.16 -0.13 -0.31 0.00 0.00 175.10 175.61 2jkr s ARG 44 N 3.46 2.48 0.09 4.82 0.52 -1.26 -5.07 118.95 123.99 2jkr s ARG 44 Ca 0.40 1.57 0.02 0.00 -0.52 0.00 0.00 55.73 57.20 2jkr s ARG 44 Cb -0.12 -1.89 -0.04 0.00 0.52 0.00 0.00 34.95 33.41 2jkr s ARG 44 CO 0.17 -1.54 -0.07 -1.12 0.02 0.00 0.00 175.30 172.76 2jkr s SER 45 N -2.30 1.16 0.18 0.23 0.01 -1.26 -5.07 113.70 106.65 2jkr s SER 45 Ca 0.71 -0.93 -0.13 0.00 1.31 0.00 0.00 55.95 56.90 2jkr s SER 45 Cb -0.25 0.08 0.18 0.00 0.21 0.00 0.00 66.02 66.24 2jkr s SER 45 CO 0.43 -0.41 1.71 -0.65 0.41 0.00 0.00 173.24 174.74 2jkr h PRO 46 N 3.20 0.22 -5.67 12.44 0.11 -1.93 -3.38 132.00 136.98 2jkr h PRO 46 Ca -0.36 -0.01 -0.68 0.00 0.11 0.00 0.00 66.00 65.07 2jkr h PRO 46 Cb 1.17 -0.05 -0.28 0.00 0.11 0.00 0.00 31.00 31.95 2jkr h PRO 46 CO 0.61 0.14 -0.82 0.54 -0.21 0.00 0.00 178.00 178.26 2jkr s VAL 47 N -6.14 2.62 -0.01 3.15 0.11 -1.26 -2.58 120.40 116.29 2jkr s VAL 47 Ca -0.13 -0.84 0.02 0.00 -2.93 0.00 0.00 61.98 58.10 2jkr s VAL 47 Cb 0.15 -2.04 -0.01 0.00 -1.53 0.00 0.00 36.38 32.96 2jkr s VAL 47 CO 0.72 0.55 -0.07 0.42 -3.33 0.00 0.00 175.10 173.40 2jkr s THR 48 N 0.03 0.54 -0.11 5.04 -4.23 -0.85 -4.97 115.64 111.10 2jkr s THR 48 Ca -0.07 -0.29 -0.04 0.00 -1.18 0.00 0.00 61.69 60.11 2jkr s THR 48 Cb -0.15 -0.46 -0.04 0.00 1.34 0.00 0.00 72.50 73.20 2jkr s THR 48 CO 0.05 0.15 0.03 0.21 -0.54 0.00 0.00 174.62 174.53 2jkr s ASN 49 N -0.16 5.49 -0.33 3.99 3.84 -1.26 -0.61 114.94 125.90 2jkr s ASN 49 Ca 0.03 0.19 0.01 0.00 0.21 0.00 0.00 52.86 53.29 2jkr s ASN 49 Cb -0.03 -1.66 0.14 0.00 -0.55 0.00 0.00 41.25 39.15 2jkr s ASN 49 CO -0.00 0.35 0.30 -0.63 -2.79 0.00 0.00 177.10 174.33 2jkr s ILE 50 N -0.72 -0.25 -0.14 -5.21 1.01 -0.59 -4.94 121.20 110.36 2jkr s ILE 50 Ca 0.12 -0.93 -0.00 0.00 0.00 0.00 0.00 60.65 59.84 2jkr s ILE 50 Cb -0.12 -0.88 -0.00 0.00 0.01 0.00 0.00 42.46 41.47 2jkr s ILE 50 CO 0.02 -0.63 0.12 0.00 0.00 0.00 0.00 174.94 174.45 2jkr n ALA 51 N 4.66 -0.50 -3.62 9.38 0.00 -1.26 -3.61 120.51 125.55 2jkr n ALA 51 Ca 0.05 0.01 -0.26 0.00 0.00 0.00 0.00 53.44 53.23 2jkr n ALA 51 Cb 0.44 -0.95 -0.02 0.00 0.00 0.00 0.00 19.45 18.92 2jkr n ALA 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jkr n ARG 52 N -1.55 -2.99 -3.64 0.00 1.74 -1.26 -4.95 116.66 104.01 2jkr n ARG 52 Ca -0.02 0.37 -0.23 0.00 -0.77 0.00 0.00 57.85 57.20 2jkr n ARG 52 Cb 0.52 -5.05 -0.17 0.00 -1.02 0.00 0.00 32.46 26.73 2jkr n ARG 52 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2jkr s THR 53 N -2.96 -0.11 0.20 0.55 2.01 -1.24 -4.85 115.64 109.25 2jkr s THR 53 Ca 0.49 0.13 -0.18 0.00 0.31 0.00 0.00 61.69 62.45 2jkr s THR 53 Cb -0.27 -0.36 -0.08 0.00 0.01 0.00 0.00 72.50 71.80 2jkr s THR 53 CO 0.61 -0.05 0.67 -0.44 -0.69 0.00 0.00 174.62 174.72 2jkr s SER 54 N 2.16 6.98 -0.21 3.53 0.01 -0.87 -1.55 113.70 123.75 2jkr s SER 54 Ca 0.04 1.32 0.00 0.00 1.31 0.00 0.00 55.95 58.61 2jkr s SER 54 Cb -0.14 -2.38 0.06 0.00 0.21 0.00 0.00 66.02 63.76 2jkr s SER 54 CO -0.06 0.04 -0.05 -0.36 0.41 0.00 0.00 173.24 173.22 2jkr s PHE 55 N -1.52 2.12 -0.01 2.43 0.40 0.22 -2.55 117.98 119.06 2jkr s PHE 55 Ca 0.42 -1.52 -0.17 0.00 -0.60 0.00 0.00 56.93 55.06 2jkr s PHE 55 Cb -0.16 -1.48 -0.06 0.00 0.51 0.00 0.00 43.02 41.84 2jkr s PHE 55 CO 0.20 -0.73 0.46 -0.06 0.70 0.00 0.00 175.22 175.80 2jkr s PHE 56 N 1.49 3.69 0.11 0.36 0.40 -0.23 -2.00 117.98 121.80 2jkr s PHE 56 Ca -0.04 1.03 -0.14 0.00 -0.60 0.00 0.00 56.93 57.19 2jkr s PHE 56 Cb -0.18 -2.40 0.02 0.00 0.51 0.00 0.00 43.02 40.97 2jkr s PHE 56 CO -0.07 0.51 0.33 -3.38 0.70 0.00 0.00 175.22 173.32 2jkr s HIS 57 N -0.65 -0.09 -0.05 0.36 -3.43 -1.06 0.10 115.29 110.46 2jkr s HIS 57 Ca 0.25 -0.26 -0.09 0.00 -0.80 0.00 0.00 55.06 54.16 2jkr s HIS 57 Cb -0.17 0.16 0.02 0.00 -1.43 0.00 0.00 32.58 31.16 2jkr s HIS 57 CO 0.14 -0.65 0.22 0.14 -2.00 0.00 0.00 174.74 172.59 2jkr s VAL 58 N -3.82 0.03 -0.07 -5.38 -7.23 -0.51 -4.84 120.40 98.59 2jkr s VAL 58 Ca 0.04 -0.28 -0.12 0.00 -1.81 0.00 0.00 61.98 59.80 2jkr s VAL 58 Cb 0.03 -0.42 -0.05 0.00 0.56 0.00 0.00 36.38 36.50 2jkr s VAL 58 CO -0.12 -0.16 0.29 -0.54 -0.31 0.00 0.00 175.10 174.27 2jkr s LYS 59 N -0.57 3.81 -0.05 4.82 -0.14 -1.26 -1.19 119.74 125.16 2jkr s LYS 59 Ca -0.07 0.17 -0.09 0.00 -1.36 0.00 0.00 55.97 54.62 2jkr s LYS 59 Cb -0.04 -3.25 -0.03 0.00 -1.68 0.00 0.00 37.83 32.83 2jkr s LYS 59 CO 0.01 0.64 -0.18 -2.13 -0.76 0.00 0.00 175.35 172.93 2jkr n ARG 60 N 2.18 0.28 0.00 1.68 3.00 -0.40 -5.00 116.66 118.40 2jkr n ARG 60 Ca -0.16 0.11 0.00 0.00 -0.00 0.00 0.00 57.85 57.80 2jkr n ARG 60 Cb 0.53 -0.98 0.00 0.00 0.00 0.00 0.00 32.46 32.01 2jkr n ARG 60 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2jkr n SER 61 N -3.96 0.00 -1.25 6.15 7.64 -1.26 -4.80 113.62 116.13 2jkr n SER 61 Ca -0.07 0.00 0.05 0.00 1.01 0.00 0.00 58.87 59.85 2jkr n SER 61 Cb 0.27 0.00 0.24 0.00 -1.01 0.00 0.00 64.21 63.71 2jkr n SER 61 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2jkr n ASN 62 N 0.00 3.61 -4.61 6.43 3.02 -1.26 -4.86 115.26 117.58 2jkr n ASN 62 Ca 0.00 -2.47 -0.34 0.00 -0.03 0.00 0.00 54.58 51.74 2jkr n ASN 62 Cb 0.00 -0.56 -0.10 0.00 -0.61 0.00 0.00 39.78 38.51 2jkr n ASN 62 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2jkr s ILE 63 N -1.95 4.68 -0.09 2.41 1.09 -1.26 -1.37 121.20 124.70 2jkr s ILE 63 Ca 0.32 -0.07 -0.18 0.00 -1.10 0.00 0.00 60.65 59.62 2jkr s ILE 63 Cb 0.23 -3.11 -0.05 0.00 -1.06 0.00 0.00 42.46 38.48 2jkr s ILE 63 CO 0.11 0.46 0.48 0.26 -0.10 0.00 0.00 174.94 176.15 2jkr s TRP 64 N 0.43 3.56 -0.03 3.97 0.52 -0.12 -1.27 118.94 126.00 2jkr s TRP 64 Ca 0.02 0.94 0.00 0.00 0.02 0.00 0.00 56.10 57.08 2jkr s TRP 64 Cb -0.13 -2.52 0.03 0.00 -1.15 0.00 0.00 33.47 29.70 2jkr s TRP 64 CO 0.01 0.25 0.01 -0.48 0.02 0.00 0.00 176.95 176.76 2jkr s LEU 65 N 0.30 1.06 -0.04 2.99 2.34 -0.33 0.40 118.68 125.40 2jkr s LEU 65 Ca 0.26 -0.01 0.03 0.00 0.06 0.00 0.00 54.13 54.46 2jkr s LEU 65 Cb -0.16 -0.21 0.01 0.00 -0.56 0.00 0.00 46.19 45.27 2jkr s LEU 65 CO 0.11 -0.12 -0.11 0.00 -1.06 0.00 0.00 176.35 175.18 2jkr s ALA 66 N 1.15 1.08 -0.20 1.48 0.00 0.17 -1.42 121.76 124.02 2jkr s ALA 66 Ca -0.08 -0.40 -0.10 0.00 0.00 0.00 0.00 51.96 51.38 2jkr s ALA 66 Cb -0.13 -0.44 -0.05 0.00 0.00 0.00 0.00 23.12 22.50 2jkr s ALA 66 CO -0.02 0.15 0.14 0.00 0.00 0.00 0.00 175.76 176.02 2jkr s ALA 67 N 0.37 3.69 -0.11 0.00 0.00 0.28 -0.23 121.76 125.76 2jkr s ALA 67 Ca -0.07 -0.68 -0.03 0.00 0.00 0.00 0.00 51.96 51.17 2jkr s ALA 67 Cb -0.12 -2.18 -0.03 0.00 0.00 0.00 0.00 23.12 20.79 2jkr s ALA 67 CO 0.02 0.15 0.02 0.08 0.00 0.00 0.00 175.76 176.03 2jkr s VAL 68 N 0.37 4.42 0.06 0.00 1.01 -0.45 -1.07 120.40 124.75 2jkr s VAL 68 Ca 0.08 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 61.89 2jkr s VAL 68 Cb -0.11 -2.90 -0.03 0.00 0.00 0.00 0.00 36.38 33.34 2jkr s VAL 68 CO -0.02 0.57 -0.07 0.28 0.00 0.00 0.00 175.10 175.87 2jkr s THR 69 N -0.54 0.53 -1.21 3.92 -1.32 -1.06 -0.36 115.64 115.61 2jkr s THR 69 Ca 0.09 -1.42 0.10 0.00 -1.21 0.00 0.00 61.69 59.25 2jkr s THR 69 Cb -0.12 -1.03 0.09 0.00 -1.51 0.00 0.00 72.50 69.93 2jkr s THR 69 CO 0.02 -0.61 0.84 1.17 -2.21 0.00 0.00 174.62 173.82 2jkr n LYS 70 N 0.84 0.52 -3.13 7.08 4.81 -1.26 -2.05 118.16 124.97 2jkr n LYS 70 Ca -0.18 -1.14 -0.19 0.00 -0.87 0.00 0.00 58.31 55.93 2jkr n LYS 70 Cb 0.57 -1.19 0.02 0.00 0.02 0.00 0.00 35.03 34.45 2jkr n LYS 70 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 2jkr s GLN 71 N -0.83 2.60 -1.29 1.64 1.11 -1.26 -4.94 119.66 116.68 2jkr s GLN 71 Ca 0.12 -1.44 -0.08 0.00 0.01 0.00 0.00 55.36 53.97 2jkr s GLN 71 Cb 0.08 -2.65 0.15 0.00 -1.01 0.00 0.00 33.01 29.59 2jkr s GLN 71 CO 0.12 -0.47 2.02 -1.71 0.01 0.00 0.00 175.29 175.27 2jkr n ASN 72 N -1.93 5.94 -4.75 5.90 4.05 -1.26 -4.91 115.26 118.30 2jkr n ASN 72 Ca 0.09 -3.12 -0.34 0.00 0.45 0.00 0.00 54.58 51.67 2jkr n ASN 72 Cb 0.60 -1.44 0.07 0.00 1.23 0.00 0.00 39.78 40.24 2jkr n ASN 72 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 2jkr s VAL 73 N -0.06 2.81 -0.05 3.44 -7.23 -1.26 -4.96 120.40 113.09 2jkr s VAL 73 Ca 0.44 0.39 -0.30 0.00 -1.81 0.00 0.00 61.98 60.69 2jkr s VAL 73 Cb 0.12 -2.92 -0.09 0.00 0.56 0.00 0.00 36.38 34.05 2jkr s VAL 73 CO -0.02 -0.22 2.03 -3.20 -0.31 0.00 0.00 175.10 173.37 2jkr n ASN 74 N -2.55 3.80 -0.02 4.85 2.85 -1.26 -4.88 115.26 118.04 2jkr n ASN 74 Ca 0.12 0.74 -0.15 0.00 -0.11 0.00 0.00 54.58 55.18 2jkr n ASN 74 Cb 0.51 -1.50 -0.11 0.00 1.24 0.00 0.00 39.78 39.92 2jkr n ASN 74 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2jkr h ALA 75 N 11.45 0.06 -0.98 5.20 0.00 -2.02 -3.18 119.26 129.79 2jkr h ALA 75 Ca -0.47 -0.46 0.20 0.00 0.00 0.00 0.00 54.91 54.17 2jkr h ALA 75 Cb 1.25 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.94 2jkr h ALA 75 CO 0.95 0.13 0.57 0.00 0.00 0.00 0.00 179.25 180.90 2jkr h ALA 76 N 0.31 1.64 -0.30 0.00 0.00 -2.01 -1.98 119.26 116.92 2jkr h ALA 76 Ca -0.03 0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.01 2jkr h ALA 76 Cb 1.01 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 2jkr h ALA 76 CO 0.06 -0.12 0.08 1.98 0.00 0.00 0.00 179.25 181.25 2jkr h MET 77 N 0.69 0.19 -0.91 0.00 -1.53 -1.95 -1.23 114.93 110.19 2jkr h MET 77 Ca 0.58 -0.01 0.06 0.00 -3.44 0.00 0.00 59.70 56.89 2jkr h MET 77 Cb 0.95 -0.04 -0.06 0.00 -0.55 0.00 0.00 31.60 31.90 2jkr h MET 77 CO -0.41 0.13 0.59 0.28 0.14 0.00 0.00 176.91 177.64 2jkr h VAL 78 N 0.20 1.08 -0.01 -5.77 2.07 -1.37 -0.17 116.25 112.28 2jkr h VAL 78 Ca 0.14 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 2jkr h VAL 78 Cb 0.13 -0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 29.84 2jkr h VAL 78 CO -0.16 0.19 -0.02 -0.26 0.02 0.00 0.00 177.57 177.34 2jkr h PHE 79 N 1.04 0.04 -1.04 1.57 -1.00 -1.45 -0.45 116.94 115.67 2jkr h PHE 79 Ca 0.39 -0.01 0.28 0.00 2.81 0.00 0.00 57.97 61.44 2jkr h PHE 79 Cb 0.18 -0.01 -0.12 0.00 3.61 0.00 0.00 35.95 39.61 2jkr h PHE 79 CO -0.00 0.57 0.63 0.93 -1.61 0.00 0.00 178.31 178.83 2jkr h GLU 80 N -0.50 0.42 -0.07 1.51 4.39 -0.54 0.65 114.58 120.45 2jkr h GLU 80 Ca 0.00 -0.03 -0.10 0.00 0.34 0.00 0.00 59.36 59.57 2jkr h GLU 80 Cb 0.57 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 2jkr h GLU 80 CO 0.00 0.28 -0.36 0.35 -1.16 0.00 0.00 179.01 178.13 2jkr h PHE 81 N 0.44 0.49 -0.87 4.33 3.57 -0.97 -2.26 116.94 121.67 2jkr h PHE 81 Ca 0.67 -0.22 0.07 0.00 3.53 0.00 0.00 57.97 62.02 2jkr h PHE 81 Cb 1.51 -0.08 -0.06 0.00 2.79 0.00 0.00 35.95 40.11 2jkr h PHE 81 CO -0.01 0.97 0.57 -0.07 -2.23 0.00 0.00 178.31 177.54 2jkr h LEU 82 N -0.12 0.86 0.38 0.59 3.38 0.13 0.12 115.31 120.65 2jkr h LEU 82 Ca -0.02 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2jkr h LEU 82 Cb 1.01 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2jkr h LEU 82 CO 0.07 0.55 -0.18 1.88 0.09 0.00 0.00 178.44 180.85 2jkr h TYR 83 N 0.97 -0.48 -0.50 1.13 0.05 0.10 -2.69 116.97 115.55 2jkr h TYR 83 Ca 0.38 -0.01 0.09 0.00 0.05 0.00 0.00 58.73 59.24 2jkr h TYR 83 Cb 0.23 0.16 -0.07 0.00 1.01 0.00 0.00 36.73 38.05 2jkr h TYR 83 CO -0.00 -0.26 0.07 -0.22 -1.05 0.00 0.00 178.16 176.69 2jkr h LYS 84 N -0.57 0.19 -0.03 4.88 3.64 -0.94 -1.26 116.57 122.48 2jkr h LYS 84 Ca -0.05 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.33 2jkr h LYS 84 Cb 0.43 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.20 2jkr h LYS 84 CO 0.09 0.12 0.03 1.98 -2.27 0.00 0.00 179.45 179.40 2jkr h MET 85 N 0.19 0.00 0.14 1.90 1.85 -0.71 0.12 114.93 118.42 2jkr h MET 85 Ca 0.25 0.00 -0.30 0.00 -0.61 0.00 0.00 59.70 59.05 2jkr h MET 85 Cb 0.36 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.39 2jkr h MET 85 CO -0.36 0.00 -1.40 0.00 -0.40 0.00 0.00 176.91 174.75 2jkr h ASP 87 N 0.08 -0.44 -0.31 0.00 3.32 -0.03 0.15 116.42 119.18 2jkr h ASP 87 Ca -0.20 -0.05 0.06 0.00 0.02 0.00 0.00 57.03 56.87 2jkr h ASP 87 Cb 2.02 0.11 -0.05 0.00 0.22 0.00 0.00 39.33 41.63 2jkr h ASP 87 CO 0.19 -0.23 -0.03 0.58 -1.72 0.00 0.00 179.24 178.03 2jkr h VAL 88 N -0.63 0.73 -0.93 -1.35 2.07 -0.98 -1.21 116.25 113.96 2jkr h VAL 88 Ca -0.05 -0.02 0.12 0.00 0.82 0.00 0.00 66.70 67.56 2jkr h VAL 88 Cb 0.46 0.68 -0.07 0.00 -1.52 0.00 0.00 31.29 30.84 2jkr h VAL 88 CO 0.09 0.01 0.60 -0.03 0.02 0.00 0.00 177.57 178.25 2jkr h MET 89 N 0.05 0.85 0.00 1.57 -1.53 -0.97 -1.10 114.93 113.80 2jkr h MET 89 Ca 0.15 -0.05 -0.11 0.00 -3.44 0.00 0.00 59.70 56.25 2jkr h MET 89 Cb 0.22 -0.19 -0.02 0.00 -0.55 0.00 0.00 31.60 31.06 2jkr h MET 89 CO -0.28 0.56 -0.50 0.00 0.14 0.00 0.00 176.91 176.83 2jkr h ALA 90 N 1.56 0.84 0.00 0.39 0.00 -0.01 -2.24 119.26 119.80 2jkr h ALA 90 Ca 0.45 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2jkr h ALA 90 Cb 0.51 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2jkr h ALA 90 CO -0.21 0.63 -0.03 0.00 0.00 0.00 0.00 179.25 179.63 2jkr h ALA 91 N 1.50 1.02 0.00 0.00 0.00 -0.03 0.75 119.26 122.49 2jkr h ALA 91 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2jkr h ALA 91 Cb 1.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2jkr h ALA 91 CO 0.07 0.04 -1.34 0.66 0.00 0.00 0.00 179.25 178.68 2jkr n TYR 92 N -3.16 0.02 -2.49 0.00 4.02 -0.97 -4.79 117.16 109.80 2jkr n TYR 92 Ca 0.00 0.01 -0.01 0.00 -0.01 0.00 0.00 57.90 57.89 2jkr n TYR 92 Cb 0.29 -0.21 0.05 0.00 -0.02 0.00 0.00 39.34 39.45 2jkr n TYR 92 CO 0.00 0.00 0.00 1.97 -1.01 0.00 0.00 176.86 177.82 2jkr n PHE 93 N -1.80 -0.83 -0.00 -0.72 1.16 -0.87 -4.31 117.46 110.09 2jkr n PHE 93 Ca 0.01 -0.71 0.00 0.00 -1.87 0.00 0.00 57.45 54.88 2jkr n PHE 93 Cb 0.42 0.94 0.00 0.00 -1.61 0.00 0.00 39.48 39.23 2jkr n PHE 93 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2jkr n GLY 94 N -0.62 3.28 3.45 4.97 0.00 0.26 -4.48 105.19 112.04 2jkr n GLY 94 Ca -0.08 -0.06 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 2jkr n GLY 94 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2jkr n LYS 95 N 14.00 0.52 -1.28 1.61 3.00 -1.26 -4.18 118.16 130.57 2jkr n LYS 95 Ca 0.00 0.20 -0.31 0.00 -0.00 0.00 0.00 58.31 58.19 2jkr n LYS 95 Cb 0.00 -1.60 0.10 0.00 0.00 0.00 0.00 35.03 33.54 2jkr n LYS 95 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 2jkr n ILE 96 N -1.37 3.49 -1.34 3.15 2.08 -1.26 -4.87 119.36 119.23 2jkr n ILE 96 Ca 0.11 -2.61 -0.29 0.00 0.56 0.00 0.00 62.75 60.52 2jkr n ILE 96 Cb 0.45 -0.98 0.18 0.00 -0.75 0.00 0.00 39.64 38.53 2jkr n ILE 96 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 2jkr s SER 97 N -1.61 2.57 0.28 4.38 1.04 -1.26 -4.65 113.70 114.44 2jkr s SER 97 Ca 0.62 0.90 0.03 0.00 0.48 0.00 0.00 55.95 57.97 2jkr s SER 97 Cb 0.49 -1.39 0.41 0.00 0.10 0.00 0.00 66.02 65.63 2jkr s SER 97 CO 0.02 -3.13 1.71 -0.08 0.98 0.00 0.00 173.24 172.74 2jkr h GLU 98 N -1.90 0.44 0.47 4.02 4.81 -1.96 -2.91 114.58 117.56 2jkr h GLU 98 Ca -0.50 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 58.53 2jkr h GLU 98 Cb 1.32 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.68 2jkr h GLU 98 CO 0.53 0.69 -0.23 1.49 -0.73 0.00 0.00 179.01 180.76 2jkr h GLU 99 N 0.39 -0.61 -0.14 1.92 4.57 -1.98 -1.44 114.58 117.28 2jkr h GLU 99 Ca 0.05 0.04 0.04 0.00 -1.18 0.00 0.00 59.36 58.31 2jkr h GLU 99 Cb 0.71 0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.44 2jkr h GLU 99 CO 0.05 -0.35 0.13 -0.91 -1.18 0.00 0.00 179.01 176.75 2jkr h ASN 100 N -0.76 0.00 0.27 1.04 -0.26 -1.89 -1.83 115.58 112.16 2jkr h ASN 100 Ca -0.06 0.00 -0.34 0.00 -0.56 0.00 0.00 56.30 55.34 2jkr h ASN 100 Cb 0.54 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.79 2jkr h ASN 100 CO 0.11 0.00 -1.80 0.40 -1.06 0.00 0.00 177.43 175.08 2jkr h ILE 101 N 0.00 0.84 0.00 2.81 2.04 -1.44 -3.17 117.51 118.59 2jkr h ILE 101 Ca 0.07 -2.54 0.00 0.00 1.00 0.00 0.00 64.86 63.39 2jkr h ILE 101 Cb 0.32 2.61 0.00 0.00 -0.74 0.00 0.00 36.82 39.01 2jkr h ILE 101 CO -0.00 0.81 0.00 0.11 0.00 0.00 0.00 178.15 179.07 2jkr h LYS 102 N 0.07 0.00 -0.60 2.37 1.57 -0.76 -2.47 116.57 116.75 2jkr h LYS 102 Ca -0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 2jkr h LYS 102 Cb 2.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.35 2jkr h LYS 102 CO 0.12 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 179.09 2jkr n ASN 103 N -2.84 3.70 -1.24 0.86 4.13 -0.73 -4.51 115.26 114.62 2jkr n ASN 103 Ca -0.02 -1.99 -0.02 0.00 1.68 0.00 0.00 54.58 54.24 2jkr n ASN 103 Cb 0.10 -0.40 -0.03 0.00 -1.54 0.00 0.00 39.78 37.92 2jkr n ASN 103 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2jkr n ASN 104 N 1.47 -0.02 -0.21 6.41 5.03 -0.94 -4.68 115.26 122.33 2jkr n ASN 104 Ca 0.22 -2.00 -0.04 0.00 0.87 0.00 0.00 54.58 53.63 2jkr n ASN 104 Cb 0.59 0.01 0.02 0.00 -1.02 0.00 0.00 39.78 39.37 2jkr n ASN 104 CO 0.00 0.00 0.00 -0.26 -1.83 0.00 0.00 177.26 175.17 2jkr h PHE 105 N 0.49 -0.84 0.59 3.10 0.04 -1.78 0.21 116.94 118.75 2jkr h PHE 105 Ca -0.40 0.07 -0.03 0.00 2.80 0.00 0.00 57.97 60.41 2jkr h PHE 105 Cb 1.65 0.46 0.01 0.00 2.20 0.00 0.00 35.95 40.26 2jkr h PHE 105 CO -0.01 -0.37 -0.28 -0.39 -0.60 0.00 0.00 178.31 176.66 2jkr h VAL 106 N -0.14 0.30 -1.14 -0.55 -1.51 -1.92 -0.81 116.25 110.49 2jkr h VAL 106 Ca 0.25 -0.30 0.33 0.00 -1.23 0.00 0.00 66.70 65.76 2jkr h VAL 106 Cb 0.55 0.39 -0.11 0.00 -2.13 0.00 0.00 31.29 29.99 2jkr h VAL 106 CO -0.69 0.03 0.72 0.25 -1.23 0.00 0.00 177.57 176.66 2jkr h LEU 107 N -1.01 0.38 0.09 4.19 5.85 -1.86 -0.32 115.31 122.62 2jkr h LEU 107 Ca -0.08 0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 2jkr h LEU 107 Cb 0.66 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.76 2jkr h LEU 107 CO 0.13 -0.04 -0.04 0.40 -0.34 0.00 0.00 178.44 178.55 2jkr h ILE 108 N 0.27 0.38 -0.78 4.05 2.04 -0.65 -0.81 117.51 122.01 2jkr h ILE 108 Ca 0.69 -1.16 0.17 0.00 1.00 0.00 0.00 64.86 65.56 2jkr h ILE 108 Cb 1.92 0.70 -0.11 0.00 -0.74 0.00 0.00 36.82 38.59 2jkr h ILE 108 CO -0.38 0.12 0.28 1.88 0.00 0.00 0.00 178.15 180.05 2jkr h TYR 109 N -1.01 0.46 -0.38 1.37 0.05 -0.75 0.31 116.97 117.01 2jkr h TYR 109 Ca -0.01 0.04 -0.07 0.00 0.05 0.00 0.00 58.73 58.74 2jkr h TYR 109 Cb 0.29 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 37.93 2jkr h TYR 109 CO 0.05 -0.02 -0.07 1.49 -1.05 0.00 0.00 178.16 178.57 2jkr h GLU 110 N 0.37 0.64 -0.58 4.88 4.81 -1.15 -2.32 114.58 121.24 2jkr h GLU 110 Ca 0.45 -0.18 -0.03 0.00 -0.13 0.00 0.00 59.36 59.47 2jkr h GLU 110 Cb 0.76 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.04 2jkr h GLU 110 CO -0.47 0.71 0.24 1.25 -0.73 0.00 0.00 179.01 180.01 2jkr h LEU 111 N 0.60 0.79 -0.21 1.64 7.12 0.99 -3.19 115.31 123.06 2jkr h LEU 111 Ca 0.11 -0.16 -0.00 0.00 0.13 0.00 0.00 57.88 57.96 2jkr h LEU 111 Cb 0.48 -0.21 -0.01 0.00 -0.53 0.00 0.00 40.66 40.39 2jkr h LEU 111 CO 0.03 0.74 0.11 -0.07 -0.13 0.00 0.00 178.44 179.12 2jkr h LEU 112 N 0.80 0.26 -1.63 2.25 3.38 -0.33 -2.44 115.31 117.59 2jkr h LEU 112 Ca 0.19 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2jkr h LEU 112 Cb 0.19 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2jkr h LEU 112 CO -0.02 0.27 0.00 0.47 0.09 0.00 0.00 178.44 179.25 2jkr n ASP 113 N -4.89 1.43 0.00 -0.43 10.43 -0.91 -1.93 116.55 120.26 2jkr n ASP 113 Ca -0.03 -1.27 0.00 0.00 2.57 0.00 0.00 54.79 56.06 2jkr n ASP 113 Cb 0.07 -0.32 0.00 0.00 1.84 0.00 0.00 41.12 42.72 2jkr n ASP 113 CO 0.00 0.00 0.00 1.21 -1.07 0.00 0.00 177.20 177.34 2jkr n GLU 114 N 0.50 0.52 0.00 -1.24 4.07 -1.10 -4.76 120.64 118.63 2jkr n GLU 114 Ca 0.00 0.00 0.13 0.00 -0.06 0.00 0.00 57.16 57.23 2jkr n GLU 114 Cb 0.26 -0.40 0.39 0.00 -0.06 0.00 0.00 31.44 31.64 2jkr n GLU 114 CO 0.00 0.00 0.00 1.51 -0.06 0.00 0.00 177.13 178.58 2jkr n ILE 115 N -0.45 0.00 -3.15 6.31 0.13 -0.90 -4.74 119.36 116.57 2jkr n ILE 115 Ca 0.00 -0.07 0.04 0.00 -1.10 0.00 0.00 62.75 61.62 2jkr n ILE 115 Cb 0.00 0.22 -0.00 0.00 -0.84 0.00 0.00 39.64 39.02 2jkr n ILE 115 CO 0.00 0.00 0.00 -0.22 2.80 0.00 0.00 176.55 179.13 2jkr s LEU 116 N -2.66 -1.21 -0.21 9.51 2.96 -0.81 -1.46 118.68 124.80 2jkr s LEU 116 Ca 0.21 0.22 -0.09 0.00 -0.22 0.00 0.00 54.13 54.24 2jkr s LEU 116 Cb 0.19 1.80 -0.05 0.00 0.50 0.00 0.00 46.19 48.63 2jkr s LEU 116 CO 0.56 -0.22 0.12 -0.62 -1.32 0.00 0.00 176.35 174.87 2jkr s ASP 117 N 2.88 5.93 -1.39 3.68 2.15 -0.71 -4.39 116.67 124.81 2jkr s ASP 117 Ca 0.15 0.11 0.00 0.00 0.43 0.00 0.00 52.55 53.25 2jkr s ASP 117 Cb -0.08 -2.05 0.00 0.00 -0.30 0.00 0.00 42.92 40.49 2jkr s ASP 117 CO -0.24 0.12 0.00 0.33 -0.17 0.00 0.00 175.17 175.21 2jkr n PHE 118 N 3.89 -0.65 -0.56 -5.34 7.35 -1.26 -0.28 117.46 120.61 2jkr n PHE 118 Ca -0.16 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.53 2jkr n PHE 118 Cb 0.52 -2.75 0.00 0.00 0.35 0.00 0.00 39.48 37.60 2jkr n PHE 118 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2jkr n GLY 119 N -0.44 0.75 3.62 7.13 0.00 -1.25 -4.66 105.19 110.34 2jkr n GLY 119 Ca -0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 2jkr n GLY 119 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jkr s TYR 120 N -2.48 3.28 0.86 1.61 4.12 0.61 -1.80 117.35 123.55 2jkr s TYR 120 Ca 0.00 0.57 -0.11 0.00 0.02 0.00 0.00 57.07 57.56 2jkr s TYR 120 Cb 0.00 -2.65 0.11 0.00 -1.52 0.00 0.00 41.96 37.91 2jkr s TYR 120 CO 0.00 -0.22 1.15 -1.25 0.02 0.00 0.00 175.55 175.25 2jkr s PRO 121 N 2.06 1.43 -0.01 -1.71 0.04 -1.26 -1.74 135.00 133.80 2jkr s PRO 121 Ca 0.19 1.51 0.08 0.00 0.04 0.00 0.00 61.00 62.82 2jkr s PRO 121 Cb -0.16 -1.78 0.14 0.00 0.04 0.00 0.00 34.50 32.75 2jkr s PRO 121 CO 0.09 -2.32 1.06 0.94 0.04 0.00 0.00 177.00 176.81 2jkr n GLN 122 N -3.87 0.13 -2.05 4.56 -0.06 -0.53 -4.83 117.38 110.73 2jkr n GLN 122 Ca 0.12 -1.42 0.00 0.00 -2.00 0.00 0.00 57.00 53.70 2jkr n GLN 122 Cb 0.52 -0.48 0.00 0.00 -4.06 0.00 0.00 30.24 26.22 2jkr n GLN 122 CO 0.00 0.00 0.00 0.27 -0.20 0.00 0.00 177.06 177.13 2jkr n ASN 123 N -0.01 -4.78 0.00 1.69 6.94 -1.26 -4.87 115.26 112.97 2jkr n ASN 123 Ca 0.03 1.37 0.00 0.00 -0.02 0.00 0.00 54.58 55.96 2jkr n ASN 123 Cb 0.81 -3.39 0.00 0.00 -2.36 0.00 0.00 39.78 34.84 2jkr n ASN 123 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 2jkr n SER 124 N 1.87 0.00 -1.60 0.53 2.88 -1.26 -4.94 113.62 111.09 2jkr n SER 124 Ca 0.00 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.35 2jkr n SER 124 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 2jkr n SER 124 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2jkr n GLU 125 N -0.27 -1.37 -0.73 -1.46 1.02 -1.26 -2.23 120.64 114.34 2jkr n GLU 125 Ca 0.00 1.13 -0.03 0.00 -0.02 0.00 0.00 57.16 58.24 2jkr n GLU 125 Cb 0.00 -5.49 -0.01 0.00 -0.02 0.00 0.00 31.44 25.91 2jkr n GLU 125 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2jkr n THR 126 N -2.72 0.00 -1.93 2.62 -1.04 -1.26 -4.86 114.28 105.09 2jkr n THR 126 Ca -0.20 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.39 2jkr n THR 126 Cb 0.64 -0.54 -0.03 0.00 -1.82 0.00 0.00 70.33 68.58 2jkr n THR 126 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2jkr s GLY 127 N -1.14 1.41 -0.74 3.41 0.00 -0.95 -3.24 107.32 106.07 2jkr s GLY 127 Ca 0.00 0.94 -0.09 0.00 0.00 0.00 0.00 44.72 45.56 2jkr s GLY 127 CO 0.00 3.17 0.23 0.00 0.00 0.00 0.00 173.10 176.51 2jkr n ALA 128 N 7.69 -0.90 0.41 3.20 0.00 -1.26 -4.75 120.51 124.89 2jkr n ALA 128 Ca 0.19 -0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.68 2jkr n ALA 128 Cb 0.43 -1.20 0.39 0.00 0.00 0.00 0.00 19.45 19.07 2jkr n ALA 128 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2jkr h LEU 129 N -0.34 0.00 -0.73 0.00 3.38 -1.91 -3.19 115.31 112.52 2jkr h LEU 129 Ca -0.23 0.00 0.09 0.00 0.09 0.00 0.00 57.88 57.83 2jkr h LEU 129 Cb 0.97 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.65 2jkr h LEU 129 CO 0.35 0.00 0.37 0.50 0.09 0.00 0.00 178.44 179.76 2jkr h LYS 130 N 0.00 0.62 -0.93 1.13 3.64 -1.85 0.31 116.57 119.49 2jkr h LYS 130 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2jkr h LYS 130 Cb 0.72 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 2jkr h LYS 130 CO 0.00 0.41 0.00 0.25 -2.27 0.00 0.00 179.45 177.84 2jkr n THR 131 N -4.84 0.23 0.00 1.00 -2.24 -1.21 -2.96 114.28 104.27 2jkr n THR 131 Ca 0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 2jkr n THR 131 Cb 0.27 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 67.94 2jkr n THR 131 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2jkr n PHE 132 N 0.22 0.00 -3.24 4.78 3.01 -0.30 -4.97 117.46 116.96 2jkr n PHE 132 Ca 0.00 0.00 -0.45 0.00 1.01 0.00 0.00 57.45 58.01 2jkr n PHE 132 Cb 0.27 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.74 2jkr n PHE 132 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 2jkr s ILE 133 N -0.44 5.73 0.00 4.37 -1.09 0.95 -4.91 121.20 125.81 2jkr s ILE 133 Ca 0.00 -3.14 -0.01 0.00 -2.23 0.00 0.00 60.65 55.27 2jkr s ILE 133 Cb 0.00 -4.67 -0.04 0.00 -1.58 0.00 0.00 42.46 36.17 2jkr s ILE 133 CO 0.00 -1.29 1.91 0.35 -1.23 0.00 0.00 174.94 174.69 2jkr n THR 134 N 3.29 1.81 -3.87 2.92 -2.24 -1.26 -4.80 114.28 110.13 2jkr n THR 134 Ca 0.26 -0.56 -0.10 0.00 -2.27 0.00 0.00 64.05 61.38 2jkr n THR 134 Cb 0.41 -1.50 -0.09 0.00 -2.10 0.00 0.00 70.33 67.05 2jkr n THR 134 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2jkr s GLN 135 N 0.50 0.65 0.00 -0.78 2.00 -1.26 -5.11 119.66 115.66 2jkr s GLN 135 Ca 0.09 -0.64 0.00 0.00 -2.00 0.00 0.00 55.36 52.82 2jkr s GLN 135 Cb 0.05 0.27 0.00 0.00 0.80 0.00 0.00 33.01 34.12 2jkr s GLN 135 CO 0.00 -0.18 0.00 1.04 -0.50 0.00 0.00 175.29 175.65 2jkr n GLN 136 N 0.77 0.00 0.00 1.67 1.13 -1.26 -5.00 117.38 114.70 2jkr n GLN 136 Ca -0.19 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.87 2jkr n GLN 136 Cb 0.58 -0.11 0.00 0.00 0.11 0.00 0.00 30.24 30.83 2jkr n GLN 136 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2jkr n GLY 137 N 0.00 0.90 3.56 1.08 0.00 -1.26 -5.07 105.19 104.40 2jkr n GLY 137 Ca 0.00 -0.48 -0.40 0.00 0.00 0.00 0.00 46.02 45.14 2jkr n GLY 137 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jkr s ILE 138 N 0.00 3.86 1.06 -0.61 1.01 -1.26 -4.95 121.20 120.31 2jkr s ILE 138 Ca 0.00 -0.56 -0.13 0.00 0.00 0.00 0.00 60.65 59.96 2jkr s ILE 138 Cb 0.00 -4.98 0.22 0.00 0.01 0.00 0.00 42.46 37.71 2jkr s ILE 138 CO 0.00 -1.87 1.08 -1.59 0.00 0.00 0.00 174.94 172.56 2jkr s LYS 139 N 5.21 -0.07 0.00 2.79 0.00 -1.26 -4.91 119.74 121.50 2jkr s LYS 139 Ca 0.46 0.52 0.00 0.00 0.00 0.00 0.00 55.97 56.95 2jkr s LYS 139 Cb -0.02 -1.68 0.00 0.00 0.00 0.00 0.00 37.83 36.13 2jkr s LYS 139 CO -0.06 -3.07 0.00 0.45 0.00 0.00 0.00 175.35 172.68 2jkr n SER 140 N -4.41 0.00 -3.37 0.03 2.88 -1.26 -5.09 113.62 102.40 2jkr n SER 140 Ca 0.05 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.54 2jkr n SER 140 Cb 0.57 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.04 2jkr n SER 140 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 2jkr s GLN 141 N -2.00 1.61 0.00 -1.46 0.74 -1.26 -4.51 119.66 112.78 2jkr s GLN 141 Ca 0.00 -1.00 0.00 0.00 0.05 0.00 0.00 55.36 54.41 2jkr s GLN 141 Cb 0.00 0.48 0.00 0.00 1.10 0.00 0.00 33.01 34.59 2jkr s GLN 141 CO 0.00 -0.75 0.00 -0.89 -0.55 0.00 0.00 175.29 173.10 2jkr n ILE 159 N -0.58 0.00 -3.08 -2.34 5.41 -1.26 -5.14 119.36 112.37 2jkr n ILE 159 Ca -0.05 0.00 -0.00 0.00 1.00 0.00 0.00 62.75 63.70 2jkr n ILE 159 Cb 0.60 0.00 -0.00 0.00 -0.71 0.00 0.00 39.64 39.53 2jkr n ILE 159 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2jkr n GLY 160 N 0.00 -0.89 3.82 7.39 0.00 -1.26 -4.38 105.19 109.87 2jkr n GLY 160 Ca 0.00 0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 2jkr n GLY 160 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2jkr s TRP 161 N -1.01 2.83 -0.25 1.61 0.23 -1.26 -4.16 118.94 116.94 2jkr s TRP 161 Ca -0.01 0.99 -0.09 0.00 -2.03 0.00 0.00 56.10 54.97 2jkr s TRP 161 Cb 0.00 -3.24 0.11 0.00 0.03 0.00 0.00 33.47 30.36 2jkr s TRP 161 CO 0.16 -1.85 0.55 0.50 0.96 0.00 0.00 176.95 177.26 2jkr s ARG 162 N -5.28 0.47 0.44 4.98 3.52 -1.26 -4.46 118.95 117.36 2jkr s ARG 162 Ca 0.61 1.24 -0.23 0.00 -0.13 0.00 0.00 55.73 57.22 2jkr s ARG 162 Cb -0.13 0.56 -0.10 0.00 -1.56 0.00 0.00 34.95 33.71 2jkr s ARG 162 CO 0.53 -0.22 0.91 0.54 -0.81 0.00 0.00 175.30 176.25 2jkr n ARG 163 N 5.29 1.13 -2.30 5.12 5.12 -1.26 -4.95 116.66 124.81 2jkr n ARG 163 Ca -0.12 0.41 -0.37 0.00 -1.93 0.00 0.00 57.85 55.84 2jkr n ARG 163 Cb 0.50 -1.94 -0.02 0.00 -1.16 0.00 0.00 32.46 29.85 2jkr n ARG 163 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 2jkr s GLU 164 N -2.00 3.87 -0.97 5.56 2.56 -1.26 -3.99 118.70 122.47 2jkr s GLU 164 Ca 0.65 1.76 -0.10 0.00 0.00 0.00 0.00 54.97 57.27 2jkr s GLU 164 Cb -0.55 -2.48 -0.01 0.00 2.00 0.00 0.00 34.13 33.09 2jkr s GLU 164 CO 0.56 -0.46 0.74 0.41 -0.56 0.00 0.00 175.26 175.95 2jkr n GLY 165 N 0.47 -1.14 3.80 -1.50 0.00 -1.26 -5.01 105.19 100.54 2jkr n GLY 165 Ca 0.06 0.50 -0.36 0.00 0.00 0.00 0.00 46.02 46.23 2jkr n GLY 165 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2jkr s ILE 166 N -3.24 4.34 -0.04 -0.61 -0.00 -1.26 -4.98 121.20 115.41 2jkr s ILE 166 Ca 0.25 1.61 0.02 0.00 -0.00 0.00 0.00 60.65 62.53 2jkr s ILE 166 Cb -0.08 -3.89 0.02 0.00 -0.00 0.00 0.00 42.46 38.50 2jkr s ILE 166 CO 0.83 0.06 -0.07 -0.54 -0.00 0.00 0.00 174.94 175.23 2jkr s LYS 167 N -2.28 0.94 0.14 0.37 1.02 -1.26 -2.21 119.74 116.47 2jkr s LYS 167 Ca 0.51 -0.20 0.09 0.00 0.02 0.00 0.00 55.97 56.39 2jkr s LYS 167 Cb -0.16 -0.89 -0.04 0.00 -0.52 0.00 0.00 37.83 36.22 2jkr s LYS 167 CO 0.21 -0.01 -0.21 0.71 -0.92 0.00 0.00 175.35 175.13 2jkr s TYR 168 N 0.64 1.92 0.00 3.18 1.51 -1.26 -4.96 117.35 118.38 2jkr s TYR 168 Ca -0.09 -0.43 0.00 0.00 -1.01 0.00 0.00 57.07 55.54 2jkr s TYR 168 Cb -0.13 -1.00 0.00 0.00 -0.11 0.00 0.00 41.96 40.73 2jkr s TYR 168 CO 0.01 0.31 0.91 2.89 -1.11 0.00 0.00 175.55 178.56 2jkr n ARG 169 N 0.63 0.00 -4.30 -0.62 1.85 -1.26 -4.73 116.66 108.22 2jkr n ARG 169 Ca -0.16 0.50 -0.26 0.00 -1.00 0.00 0.00 57.85 56.93 2jkr n ARG 169 Cb 0.55 -1.41 -0.09 0.00 -1.05 0.00 0.00 32.46 30.47 2jkr n ARG 169 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2jkr s ARG 170 N -2.64 2.10 -0.70 2.89 0.52 -1.26 -5.11 118.95 114.75 2jkr s ARG 170 Ca 0.00 -1.34 -0.19 0.00 -0.52 0.00 0.00 55.73 53.68 2jkr s ARG 170 Cb 0.00 -2.14 0.11 0.00 0.52 0.00 0.00 34.95 33.45 2jkr s ARG 170 CO 0.00 0.41 0.84 -0.80 0.02 0.00 0.00 175.30 175.77 2jkr s ASN 171 N -3.10 6.33 0.16 0.23 0.01 -1.26 -4.83 114.94 112.48 2jkr s ASN 171 Ca 0.27 -1.61 0.09 0.00 -0.71 0.00 0.00 52.86 50.90 2jkr s ASN 171 Cb -0.08 -2.33 -0.04 0.00 0.41 0.00 0.00 41.25 39.21 2jkr s ASN 171 CO 0.16 -1.11 -0.11 -1.83 -1.51 0.00 0.00 177.10 172.70 2jkr s GLU 172 N 2.68 2.01 -0.01 -0.60 -1.05 -0.87 0.24 118.70 121.10 2jkr s GLU 172 Ca 0.18 -1.22 -0.03 0.00 -0.15 0.00 0.00 54.97 53.74 2jkr s GLU 172 Cb -0.18 -2.17 0.00 0.00 -0.44 0.00 0.00 34.13 31.35 2jkr s GLU 172 CO 0.02 0.45 0.07 -0.48 0.95 0.00 0.00 175.26 176.28 2jkr s LEU 173 N -2.63 1.77 0.01 1.83 0.05 0.21 -1.09 118.68 118.83 2jkr s LEU 173 Ca 0.23 -0.06 0.06 0.00 0.05 0.00 0.00 54.13 54.41 2jkr s LEU 173 Cb -0.09 0.34 -0.03 0.00 -2.05 0.00 0.00 46.19 44.36 2jkr s LEU 173 CO 0.14 -0.17 -0.16 -0.36 -0.55 0.00 0.00 176.35 175.25 2jkr s PHE 174 N -0.60 2.62 -0.28 3.48 0.40 0.14 -2.54 117.98 121.20 2jkr s PHE 174 Ca -0.07 -0.22 -0.01 0.00 -0.60 0.00 0.00 56.93 56.03 2jkr s PHE 174 Cb -0.04 -1.53 0.09 0.00 0.51 0.00 0.00 43.02 42.04 2jkr s PHE 174 CO 0.00 0.23 0.07 -0.51 0.70 0.00 0.00 175.22 175.71 2jkr s LEU 175 N -1.17 2.03 -0.25 -0.37 1.43 -0.02 -1.52 118.68 118.81 2jkr s LEU 175 Ca 0.14 -1.41 -0.18 0.00 -1.03 0.00 0.00 54.13 51.65 2jkr s LEU 175 Cb -0.11 -0.83 -0.03 0.00 0.03 0.00 0.00 46.19 45.26 2jkr s LEU 175 CO 0.04 -0.37 0.52 -1.81 0.23 0.00 0.00 176.35 174.96 2jkr s ASP 176 N 1.65 6.47 -0.61 2.29 -0.00 -0.19 -1.56 116.67 124.72 2jkr s ASP 176 Ca 0.06 0.57 -0.16 0.00 -0.00 0.00 0.00 52.55 53.01 2jkr s ASP 176 Cb -0.17 -2.29 0.14 0.00 -0.00 0.00 0.00 42.92 40.60 2jkr s ASP 176 CO -0.20 -0.27 0.60 -0.69 -0.00 0.00 0.00 175.17 174.62 2jkr s VAL 177 N 2.17 5.19 -0.38 -1.27 1.01 0.45 -1.47 120.40 126.09 2jkr s VAL 177 Ca 0.22 -1.56 -0.13 0.00 0.00 0.00 0.00 61.98 60.51 2jkr s VAL 177 Cb -0.16 -4.40 0.02 0.00 0.00 0.00 0.00 36.38 31.84 2jkr s VAL 177 CO 0.09 -0.97 0.25 -0.76 0.00 0.00 0.00 175.10 173.72 2jkr s LEU 178 N 1.61 4.85 0.05 3.92 1.43 0.42 -0.79 118.68 130.16 2jkr s LEU 178 Ca 0.08 -0.85 0.09 0.00 -1.03 0.00 0.00 54.13 52.41 2jkr s LEU 178 Cb -0.25 -2.10 -0.03 0.00 0.03 0.00 0.00 46.19 43.84 2jkr s LEU 178 CO 0.01 -0.39 -0.24 -1.61 0.23 0.00 0.00 176.35 174.35 2jkr s GLU 179 N 1.64 1.61 -0.24 1.70 2.02 -0.34 -2.13 118.70 122.96 2jkr s GLU 179 Ca 0.04 -1.08 0.02 0.00 0.02 0.00 0.00 54.97 53.97 2jkr s GLU 179 Cb -0.19 -1.80 0.05 0.00 0.10 0.00 0.00 34.13 32.30 2jkr s GLU 179 CO 0.09 0.46 -0.10 0.45 0.02 0.00 0.00 175.26 176.17 2jkr s SER 180 N -1.31 4.03 -0.13 -0.19 0.15 0.05 0.22 113.70 116.52 2jkr s SER 180 Ca 0.10 -1.20 -0.13 0.00 0.70 0.00 0.00 55.95 55.42 2jkr s SER 180 Cb -0.10 -1.41 -0.05 0.00 -1.71 0.00 0.00 66.02 62.76 2jkr s SER 180 CO 0.02 -0.18 0.30 0.54 1.20 0.00 0.00 173.24 175.13 2jkr s VAL 181 N 1.23 5.28 0.12 4.45 0.11 -0.55 -0.53 120.40 130.50 2jkr s VAL 181 Ca -0.06 0.58 0.08 0.00 -2.93 0.00 0.00 61.98 59.65 2jkr s VAL 181 Cb -0.19 -3.63 -0.04 0.00 -1.53 0.00 0.00 36.38 31.00 2jkr s VAL 181 CO -0.06 0.44 -0.14 0.20 -3.33 0.00 0.00 175.10 172.21 2jkr s ASN 182 N 0.05 4.14 -0.21 3.54 -0.87 -0.17 -0.28 114.94 121.14 2jkr s ASN 182 Ca 0.18 -0.49 -0.16 0.00 -1.57 0.00 0.00 52.86 50.82 2jkr s ASN 182 Cb -0.14 -0.69 0.06 0.00 -0.02 0.00 0.00 41.25 40.47 2jkr s ASN 182 CO 0.06 0.17 0.54 -0.22 -2.57 0.00 0.00 177.10 175.08 2jkr s LEU 183 N -2.28 -0.31 -0.25 0.60 2.96 -1.07 -2.39 118.68 115.95 2jkr s LEU 183 Ca 0.20 1.15 0.01 0.00 -0.22 0.00 0.00 54.13 55.27 2jkr s LEU 183 Cb -0.10 1.86 0.05 0.00 0.50 0.00 0.00 46.19 48.49 2jkr s LEU 183 CO 0.12 -0.20 -0.10 -0.22 -1.32 0.00 0.00 176.35 174.63 2jkr s LEU 184 N 0.93 3.28 -0.01 -0.68 2.96 -0.46 -0.90 118.68 123.79 2jkr s LEU 184 Ca -0.05 -1.17 0.04 0.00 -0.22 0.00 0.00 54.13 52.72 2jkr s LEU 184 Cb -0.05 -1.59 -0.03 0.00 0.50 0.00 0.00 46.19 45.02 2jkr s LEU 184 CO -0.08 -0.16 -0.10 -0.32 -1.32 0.00 0.00 176.35 174.36 2jkr s MET 185 N 1.19 2.49 0.61 1.98 -2.45 -0.64 -1.82 119.30 120.67 2jkr s MET 185 Ca -0.05 -0.73 -0.16 0.00 -1.25 0.00 0.00 55.69 53.50 2jkr s MET 185 Cb -0.18 -2.43 -0.03 0.00 1.25 0.00 0.00 34.83 33.44 2jkr s MET 185 CO -0.05 0.61 1.09 0.45 1.05 0.00 0.00 175.02 178.17 2jkr s SER 186 N -1.15 5.49 0.21 1.11 0.15 0.80 -0.61 113.70 119.69 2jkr s SER 186 Ca 0.15 1.97 -0.09 0.00 0.70 0.00 0.00 55.95 58.67 2jkr s SER 186 Cb -0.11 -2.55 0.29 0.00 -1.71 0.00 0.00 66.02 61.94 2jkr s SER 186 CO 0.04 -1.37 1.76 -0.65 1.20 0.00 0.00 173.24 174.22 2jkr h PRO 187 N 0.43 0.47 0.00 5.44 0.11 -1.90 0.33 132.00 136.89 2jkr h PRO 187 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2jkr h PRO 187 Cb 1.24 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2jkr h PRO 187 CO 0.56 0.31 0.00 1.04 -0.21 0.00 0.00 178.00 179.70 2jkr n GLN 188 N -4.94 0.18 0.00 1.05 3.00 -1.26 -4.63 117.38 110.78 2jkr n GLN 188 Ca 0.09 0.14 0.00 0.00 -0.01 0.00 0.00 57.00 57.23 2jkr n GLN 188 Cb 0.27 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.01 2jkr n GLN 188 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2jkr n GLY 189 N 0.24 1.14 3.68 1.08 0.00 0.11 -5.07 105.19 106.36 2jkr n GLY 189 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 2jkr n GLY 189 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jkr s GLN 190 N -0.07 4.36 -0.80 1.61 -1.52 -1.25 -4.80 119.66 117.19 2jkr s GLN 190 Ca 0.00 1.52 -0.25 0.00 -1.95 0.00 0.00 55.36 54.67 2jkr s GLN 190 Cb 0.00 -3.58 -0.00 0.00 -0.22 0.00 0.00 33.01 29.21 2jkr s GLN 190 CO 0.00 -0.44 1.66 0.08 -0.25 0.00 0.00 175.29 176.34 2jkr s VAL 191 N 2.36 3.58 0.31 1.09 1.01 -1.26 -0.14 120.40 127.35 2jkr s VAL 191 Ca 0.51 -0.08 0.18 0.00 0.00 0.00 0.00 61.98 62.59 2jkr s VAL 191 Cb -0.21 -4.42 0.15 0.00 0.00 0.00 0.00 36.38 31.90 2jkr s VAL 191 CO 0.18 -1.36 1.84 -0.07 0.00 0.00 0.00 175.10 175.69 2jkr h LEU 192 N 15.23 0.00 -7.00 3.92 3.38 -1.72 -3.46 115.31 125.66 2jkr h LEU 192 Ca -0.08 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.97 2jkr h LEU 192 Cb 1.06 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.58 2jkr h LEU 192 CO 1.27 0.32 0.55 -0.94 0.09 0.00 0.00 178.44 179.74 2jkr s SER 193 N -6.59 -0.37 -0.17 -0.43 1.04 -1.11 -4.98 113.70 101.09 2jkr s SER 193 Ca -0.02 0.44 -0.29 0.00 0.48 0.00 0.00 55.95 56.56 2jkr s SER 193 Cb 0.13 0.36 0.11 0.00 0.10 0.00 0.00 66.02 66.72 2jkr s SER 193 CO 0.68 -0.31 0.94 0.00 0.98 0.00 0.00 173.24 175.53 2jkr s ALA 194 N -0.94 -1.91 -0.28 5.32 0.00 -1.26 -1.36 121.76 121.33 2jkr s ALA 194 Ca -0.01 1.62 -0.17 0.00 0.00 0.00 0.00 51.96 53.40 2jkr s ALA 194 Cb -0.01 -0.76 0.11 0.00 0.00 0.00 0.00 23.12 22.46 2jkr s ALA 194 CO 0.00 -0.31 0.83 -3.38 0.00 0.00 0.00 175.76 172.91 2jkr s HIS 195 N -0.79 -0.81 0.10 0.00 -3.43 -1.00 -4.65 115.29 104.71 2jkr s HIS 195 Ca -0.02 1.67 -0.25 0.00 -0.80 0.00 0.00 55.06 55.65 2jkr s HIS 195 Cb -0.01 0.48 -0.07 0.00 -1.43 0.00 0.00 32.58 31.55 2jkr s HIS 195 CO 0.01 -0.40 0.78 0.08 -2.00 0.00 0.00 174.74 173.21 2jkr s VAL 196 N 1.33 4.55 -0.22 -5.38 1.01 -0.58 -1.00 120.40 120.11 2jkr s VAL 196 Ca -0.08 1.69 -0.07 0.00 0.00 0.00 0.00 61.98 63.52 2jkr s VAL 196 Cb -0.04 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 2jkr s VAL 196 CO -0.15 0.43 0.07 -0.44 0.00 0.00 0.00 175.10 175.01 2jkr s SER 197 N -0.55 5.32 0.42 3.32 0.01 0.30 -2.16 113.70 120.37 2jkr s SER 197 Ca 0.38 -0.10 0.08 0.00 1.31 0.00 0.00 55.95 57.62 2jkr s SER 197 Cb -0.22 -1.94 -0.02 0.00 0.21 0.00 0.00 66.02 64.06 2jkr s SER 197 CO 0.25 0.05 0.39 -0.83 0.41 0.00 0.00 173.24 173.50 2jkr s GLY 198 N 1.14 2.14 -0.30 3.44 0.00 0.81 -0.77 107.32 113.78 2jkr s GLY 198 Ca 0.04 -1.87 -0.19 0.00 0.00 0.00 0.00 44.72 42.70 2jkr s GLY 198 CO 0.03 -1.70 1.26 -1.60 0.00 0.00 0.00 173.10 171.09 2jkr s ARG 199 N -4.15 0.05 -0.34 2.90 3.52 -0.90 -3.09 118.95 116.94 2jkr s ARG 199 Ca 0.48 0.12 -0.09 0.00 -0.13 0.00 0.00 55.73 56.11 2jkr s ARG 199 Cb -0.03 0.07 0.01 0.00 -1.56 0.00 0.00 34.95 33.44 2jkr s ARG 199 CO 0.28 -0.03 0.16 0.08 -0.81 0.00 0.00 175.30 174.98 2jkr s VAL 200 N 2.28 4.39 -0.17 7.11 1.01 -0.22 -0.44 120.40 134.36 2jkr s VAL 200 Ca -0.02 -0.72 -0.07 0.00 0.00 0.00 0.00 61.98 61.17 2jkr s VAL 200 Cb -0.03 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 2jkr s VAL 200 CO -0.14 -0.08 0.07 -0.69 0.00 0.00 0.00 175.10 174.26 2jkr s VAL 201 N 1.55 4.85 -0.16 2.92 1.01 -0.54 -1.62 120.40 128.41 2jkr s VAL 201 Ca 0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 61.98 61.98 2jkr s VAL 201 Cb -0.18 -3.17 -0.01 0.00 0.00 0.00 0.00 36.38 33.02 2jkr s VAL 201 CO 0.05 0.48 -0.11 -0.32 0.00 0.00 0.00 175.10 175.21 2jkr s MET 202 N 0.15 3.36 -0.23 2.72 -2.45 -0.80 -1.03 119.30 121.02 2jkr s MET 202 Ca 0.05 -0.68 -0.09 0.00 -1.25 0.00 0.00 55.69 53.72 2jkr s MET 202 Cb -0.12 -2.73 -0.04 0.00 1.25 0.00 0.00 34.83 33.19 2jkr s MET 202 CO 0.00 0.07 0.11 0.21 1.05 0.00 0.00 175.02 176.47 2jkr s LYS 203 N 0.73 3.92 -0.30 4.11 2.20 -0.58 -0.57 119.74 129.25 2jkr s LYS 203 Ca -0.05 -0.35 -0.00 0.00 -0.36 0.00 0.00 55.97 55.21 2jkr s LYS 203 Cb -0.15 -3.41 0.09 0.00 -1.51 0.00 0.00 37.83 32.85 2jkr s LYS 203 CO 0.02 0.02 0.07 -1.54 -0.36 0.00 0.00 175.35 173.56 2jkr s SER 204 N 1.11 4.06 -1.03 1.43 1.04 0.50 0.24 113.70 121.04 2jkr s SER 204 Ca 0.06 -1.63 -0.02 0.00 0.48 0.00 0.00 55.95 54.84 2jkr s SER 204 Cb -0.14 -0.99 0.31 0.00 0.10 0.00 0.00 66.02 65.30 2jkr s SER 204 CO 0.04 -0.39 1.65 -1.22 0.98 0.00 0.00 173.24 174.30 2jkr n TYR 205 N 4.75 2.58 -4.21 5.02 0.53 -0.25 -1.94 117.16 123.65 2jkr n TYR 205 Ca -0.02 -2.62 -0.18 0.00 -1.02 0.00 0.00 57.90 54.06 2jkr n TYR 205 Cb 0.43 -1.19 -0.11 0.00 -1.03 0.00 0.00 39.34 37.43 2jkr n TYR 205 CO 0.00 0.00 0.00 -0.48 -1.02 0.00 0.00 176.86 175.36 2jkr s LEU 206 N -3.64 2.36 0.11 7.72 2.34 -1.24 -2.04 118.68 124.29 2jkr s LEU 206 Ca 0.36 -0.75 0.04 0.00 0.06 0.00 0.00 54.13 53.85 2jkr s LEU 206 Cb 0.13 -0.51 -0.04 0.00 -0.56 0.00 0.00 46.19 45.21 2jkr s LEU 206 CO -0.03 -0.14 0.06 -0.94 -1.06 0.00 0.00 176.35 174.25 2jkr s SER 207 N -2.21 5.30 0.00 1.48 1.04 -1.26 -4.89 113.70 113.16 2jkr s SER 207 Ca 0.05 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.35 2jkr s SER 207 Cb -0.06 -1.34 0.00 0.00 0.10 0.00 0.00 66.02 64.71 2jkr s SER 207 CO 0.02 0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.99 2jkr n GLY 208 N 0.24 -1.80 2.95 7.32 0.00 -0.94 -4.67 105.19 108.29 2jkr n GLY 208 Ca -0.09 -1.85 -0.37 0.00 0.00 0.00 0.00 46.02 43.71 2jkr n GLY 208 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2jkr n MET 209 N 0.00 3.21 -3.14 1.61 0.00 -1.26 -4.66 117.12 112.88 2jkr n MET 209 Ca 0.00 -4.54 -0.40 0.00 -0.00 0.00 0.00 57.70 52.76 2jkr n MET 209 Cb 0.00 -2.42 -0.06 0.00 0.00 0.00 0.00 33.22 30.74 2jkr n MET 209 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 2jkr s PRO 210 N -2.01 4.15 -0.33 2.12 0.04 -1.26 -4.78 135.00 132.92 2jkr s PRO 210 Ca 0.32 0.53 -0.23 0.00 0.04 0.00 0.00 61.00 61.66 2jkr s PRO 210 Cb 0.01 -3.61 0.00 0.00 0.04 0.00 0.00 34.50 30.94 2jkr s PRO 210 CO -0.03 -0.32 0.79 -2.00 0.04 0.00 0.00 177.00 175.48 2jkr s GLU 211 N 2.18 3.87 -0.02 4.56 2.12 -0.45 -4.09 118.70 126.87 2jkr s GLU 211 Ca 0.26 0.47 0.04 0.00 0.36 0.00 0.00 54.97 56.11 2jkr s GLU 211 Cb -0.16 -3.76 -0.03 0.00 0.26 0.00 0.00 34.13 30.44 2jkr s GLU 211 CO 0.09 -0.75 -0.14 0.00 -0.54 0.00 0.00 175.26 173.92 2jkr s LYS 213 N -1.01 3.90 -0.50 0.00 2.20 -0.05 -2.52 119.74 121.77 2jkr s LYS 213 Ca 0.13 -0.21 0.03 0.00 -0.36 0.00 0.00 55.97 55.57 2jkr s LYS 213 Cb -0.11 -3.31 0.14 0.00 -1.51 0.00 0.00 37.83 33.04 2jkr s LYS 213 CO 0.03 0.46 0.29 0.12 -0.36 0.00 0.00 175.35 175.88 2jkr s PHE 214 N -0.11 2.56 0.08 4.03 5.99 -0.20 -1.45 117.98 128.88 2jkr s PHE 214 Ca 0.10 -2.80 -0.30 0.00 0.00 0.00 0.00 56.93 53.93 2jkr s PHE 214 Cb -0.11 -2.27 -0.05 0.00 0.00 0.00 0.00 43.02 40.58 2jkr s PHE 214 CO 0.00 -0.74 1.07 0.20 -0.00 0.00 0.00 175.22 175.75 2jkr s GLY 215 N -0.13 2.77 0.46 13.12 0.00 -0.68 -3.41 107.32 119.45 2jkr s GLY 215 Ca 0.19 0.70 0.03 0.00 0.00 0.00 0.00 44.72 45.64 2jkr s GLY 215 CO -0.03 1.73 0.04 -3.16 0.00 0.00 0.00 173.10 171.68 2jkr s MET 216 N 0.49 2.06 0.90 2.90 0.23 -1.26 -1.30 119.30 123.33 2jkr s MET 216 Ca 0.52 -2.28 -0.13 0.00 -1.03 0.00 0.00 55.69 52.78 2jkr s MET 216 Cb -0.26 -1.26 0.17 0.00 -1.53 0.00 0.00 34.83 31.96 2jkr s MET 216 CO 0.30 -0.34 1.25 0.54 -2.03 0.00 0.00 175.02 174.74 2jkr s ASN 217 N -3.76 3.50 0.00 -1.18 4.22 -1.04 -4.47 114.94 112.21 2jkr s ASN 217 Ca 0.16 0.22 0.00 0.00 -2.14 0.00 0.00 52.86 51.10 2jkr s ASN 217 Cb 0.03 -0.38 0.00 0.00 1.28 0.00 0.00 41.25 42.19 2jkr s ASN 217 CO 0.09 -2.48 0.00 -0.67 -2.04 0.00 0.00 177.10 172.00 2jkr n ASP 218 N -3.55 0.00 0.00 3.54 -0.08 -1.26 -4.63 116.55 110.58 2jkr n ASP 218 Ca 0.14 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.42 2jkr n ASP 218 Cb 0.60 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.06 2jkr n ASP 218 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2jkr n LYS 219 N 0.00 0.00 -4.02 -0.67 4.01 -1.26 -4.90 118.16 111.32 2jkr n LYS 219 Ca 0.00 0.00 -0.12 0.00 -0.51 0.00 0.00 58.31 57.68 2jkr n LYS 219 Cb 0.00 -2.78 -0.12 0.00 -0.51 0.00 0.00 35.03 31.63 2jkr n LYS 219 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 2jkr s ILE 220 N -1.21 0.31 0.08 -0.18 1.01 -1.26 -4.90 121.20 115.05 2jkr s ILE 220 Ca 0.00 -0.83 0.03 0.00 0.00 0.00 0.00 60.65 59.84 2jkr s ILE 220 Cb 0.00 -0.39 -0.03 0.00 0.01 0.00 0.00 42.46 42.04 2jkr s ILE 220 CO 0.00 -0.35 -0.08 -0.69 0.00 0.00 0.00 174.94 173.82 2jkr s VAL 221 N -1.17 0.74 0.26 2.92 1.01 -1.26 -5.15 120.40 117.75 2jkr s VAL 221 Ca -0.10 -1.55 -0.30 0.00 0.00 0.00 0.00 61.98 60.03 2jkr s VAL 221 Cb -0.08 -1.22 -0.09 0.00 0.00 0.00 0.00 36.38 34.98 2jkr s VAL 221 CO -0.00 -0.60 1.09 -0.63 0.00 0.00 0.00 175.10 174.96 2jkr s ILE 222 N -2.47 3.58 0.24 2.22 1.09 -1.26 -4.78 121.20 119.82 2jkr s ILE 222 Ca 0.02 1.55 -0.13 0.00 -1.10 0.00 0.00 60.65 60.99 2jkr s ILE 222 Cb -0.03 -3.99 -0.00 0.00 -1.06 0.00 0.00 42.46 37.39 2jkr s ILE 222 CO -0.01 0.35 0.48 -1.61 -0.10 0.00 0.00 174.94 174.05 2jkr s GLU 232 N -1.24 1.54 -0.03 2.79 0.41 -1.26 -5.05 118.70 115.85 2jkr s GLU 232 Ca 0.45 -1.22 0.04 0.00 -0.41 0.00 0.00 54.97 53.83 2jkr s GLU 232 Cb -0.31 0.48 -0.01 0.00 -1.78 0.00 0.00 34.13 32.51 2jkr s GLU 232 CO 0.39 -0.64 -0.15 0.95 -0.49 0.00 0.00 175.26 175.33 2jkr s THR 233 N -4.01 1.21 -1.09 3.63 -4.23 -1.26 -5.07 115.64 104.82 2jkr s THR 233 Ca 0.21 -0.62 -0.23 0.00 -1.18 0.00 0.00 61.69 59.88 2jkr s THR 233 Cb -0.01 -1.03 -0.03 0.00 1.34 0.00 0.00 72.50 72.77 2jkr s THR 233 CO 0.08 0.35 1.83 -0.94 -0.54 0.00 0.00 174.62 175.40 2jkr s SER 234 N -0.09 5.58 0.00 3.99 1.04 -1.26 -4.68 113.70 118.29 2jkr s SER 234 Ca 0.00 -1.44 0.00 0.00 0.48 0.00 0.00 55.95 54.99 2jkr s SER 234 Cb -0.09 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.46 2jkr s SER 234 CO 0.01 -2.43 0.00 1.17 0.98 0.00 0.00 173.24 172.97 2jkr n LYS 235 N 8.58 0.00 -2.89 4.02 4.81 -1.26 -4.93 118.16 126.49 2jkr n LYS 235 Ca 0.42 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.78 2jkr n LYS 235 Cb 0.47 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.49 2jkr n LYS 235 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 2jkr n SER 236 N 0.44 -0.21 0.00 3.14 7.64 -1.26 -5.16 113.62 118.21 2jkr n SER 236 Ca 0.00 -1.87 0.00 0.00 1.01 0.00 0.00 58.87 58.01 2jkr n SER 236 Cb 0.00 0.65 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 2jkr n SER 236 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jkr n GLY 237 N -0.18 2.24 3.50 0.23 0.00 -1.26 -5.04 105.19 104.68 2jkr n GLY 237 Ca 0.03 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.30 2jkr n GLY 237 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jkr s LYS 238 N -3.96 0.38 -1.45 1.61 2.20 -1.26 -4.82 119.74 112.44 2jkr s LYS 238 Ca 0.00 0.89 -0.08 0.00 -0.36 0.00 0.00 55.97 56.43 2jkr s LYS 238 Cb 0.00 0.47 0.01 0.00 -1.51 0.00 0.00 37.83 36.80 2jkr s LYS 238 CO 0.00 -0.12 0.95 1.04 -0.36 0.00 0.00 175.35 176.86 2jkr n GLN 239 N 4.87 -6.66 -3.84 4.03 6.02 -1.26 -5.03 117.38 115.52 2jkr n GLN 239 Ca -0.11 0.85 -0.13 0.00 -0.01 0.00 0.00 57.00 57.60 2jkr n GLN 239 Cb 0.53 -5.83 -0.14 0.00 1.02 0.00 0.00 30.24 25.82 2jkr n GLN 239 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2jkr s SER 240 N -3.07 -0.02 -0.19 1.08 1.04 -1.26 -5.14 113.70 106.13 2jkr s SER 240 Ca 0.48 0.08 -0.23 0.00 0.48 0.00 0.00 55.95 56.76 2jkr s SER 240 Cb -0.21 0.06 -0.02 0.00 0.10 0.00 0.00 66.02 65.94 2jkr s SER 240 CO 0.59 -0.04 0.75 -0.63 0.98 0.00 0.00 173.24 174.89 2jkr s ILE 241 N 0.27 4.94 -0.07 -1.02 1.09 -1.26 -4.97 121.20 120.17 2jkr s ILE 241 Ca -0.02 1.44 -0.30 0.00 -1.10 0.00 0.00 60.65 60.67 2jkr s ILE 241 Cb -0.03 -4.05 -0.03 0.00 -1.06 0.00 0.00 42.46 37.29 2jkr s ILE 241 CO -0.01 0.05 1.16 0.00 -0.10 0.00 0.00 174.94 176.05 2jkr s ALA 242 N 2.10 3.48 -0.10 9.38 0.00 -1.26 -5.02 121.76 130.35 2jkr s ALA 242 Ca 0.34 0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.87 2jkr s ALA 242 Cb -0.16 -3.50 -0.02 0.00 0.00 0.00 0.00 23.12 19.43 2jkr s ALA 242 CO 0.11 -0.74 -0.10 0.96 0.00 0.00 0.00 175.76 175.99 2jkr s ILE 243 N 2.20 3.41 0.69 0.00 -5.25 -1.26 -4.91 121.20 116.09 2jkr s ILE 243 Ca 0.54 -0.56 -0.16 0.00 -0.99 0.00 0.00 60.65 59.48 2jkr s ILE 243 Cb -0.23 -2.41 0.02 0.00 2.95 0.00 0.00 42.46 42.78 2jkr s ILE 243 CO 0.21 0.55 1.23 -1.81 -1.79 0.00 0.00 174.94 173.33 2jkr s ASP 244 N -0.22 4.42 0.11 4.36 1.11 -1.26 -4.87 116.67 120.32 2jkr s ASP 244 Ca 0.02 2.42 -0.08 0.00 0.18 0.00 0.00 52.55 55.09 2jkr s ASP 244 Cb -0.13 -2.60 0.03 0.00 1.07 0.00 0.00 42.92 41.29 2jkr s ASP 244 CO 0.03 -2.11 0.38 -0.67 1.18 0.00 0.00 175.17 173.97 2jkr n ASP 245 N -2.39 -0.78 -3.65 0.27 4.64 -0.57 -4.97 116.55 109.10 2jkr n ASP 245 Ca 0.14 -1.47 -0.04 0.00 -1.38 0.00 0.00 54.79 52.04 2jkr n ASP 245 Cb 0.50 1.29 -0.07 0.00 -1.04 0.00 0.00 41.12 41.79 2jkr n ASP 245 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2jkr s THR 247 N 0.32 -0.17 0.64 0.00 2.01 -0.32 -5.00 115.64 113.11 2jkr s THR 247 Ca 0.03 0.30 0.06 0.00 0.31 0.00 0.00 61.69 62.39 2jkr s THR 247 Cb -0.05 -0.29 0.12 0.00 0.01 0.00 0.00 72.50 72.29 2jkr s THR 247 CO -0.12 0.09 0.88 0.49 -0.69 0.00 0.00 174.62 175.27 2jkr n PHE 248 N 5.31 -2.52 -2.12 4.92 3.01 -1.26 -0.81 117.46 123.98 2jkr n PHE 248 Ca -0.04 -2.01 -0.30 0.00 1.01 0.00 0.00 57.45 56.11 2jkr n PHE 248 Cb 0.50 -0.62 0.01 0.00 -0.01 0.00 0.00 39.48 39.36 2jkr n PHE 248 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 2jkr s HIS 249 N -2.81 3.55 0.23 1.38 2.46 -1.07 -4.91 115.29 114.11 2jkr s HIS 249 Ca 0.63 1.08 -0.07 0.00 0.47 0.00 0.00 55.06 57.18 2jkr s HIS 249 Cb -0.04 -2.65 0.34 0.00 -0.13 0.00 0.00 32.58 30.10 2jkr s HIS 249 CO 0.41 -0.65 1.78 1.96 -2.47 0.00 0.00 174.74 175.78 2jkr h GLN 250 N -0.20 0.62 0.00 2.88 1.08 -1.93 -2.04 115.11 115.51 2jkr h GLN 250 Ca -0.45 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 56.71 2jkr h GLN 250 Cb 1.21 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 28.50 2jkr h GLN 250 CO 0.62 0.41 0.00 0.00 -0.95 0.00 0.00 178.83 178.91 2jkr s VAL 252 N -2.08 4.87 -0.48 0.00 1.01 -0.77 -3.37 120.40 119.58 2jkr s VAL 252 Ca 0.24 0.84 -0.27 0.00 0.00 0.00 0.00 61.98 62.78 2jkr s VAL 252 Cb 0.11 -4.07 0.03 0.00 0.00 0.00 0.00 36.38 32.45 2jkr s VAL 252 CO 0.20 -0.25 1.02 -0.13 0.00 0.00 0.00 175.10 175.95 2jkr s ARG 253 N 2.76 3.60 -0.01 2.72 1.81 0.27 -4.91 118.95 125.19 2jkr s ARG 253 Ca 0.27 0.32 0.08 0.00 -1.72 0.00 0.00 55.73 54.67 2jkr s ARG 253 Cb -0.14 -3.93 0.24 0.00 -0.45 0.00 0.00 34.95 30.67 2jkr s ARG 253 CO 0.13 -1.32 1.17 1.28 -0.68 0.00 0.00 175.30 175.89 2jkr n LEU 254 N 7.51 1.55 -0.16 2.53 4.77 -1.26 -2.47 117.00 129.47 2jkr n LEU 254 Ca 0.09 -0.78 -0.04 0.00 -0.03 0.00 0.00 56.01 55.25 2jkr n LEU 254 Cb 0.49 -0.22 -0.04 0.00 -2.33 0.00 0.00 43.42 41.32 2jkr n LEU 254 CO 0.68 0.36 0.26 -0.24 -1.33 0.00 0.00 177.39 177.12 2jkr n SER 255 N 0.28 -0.40 -2.21 -1.43 2.88 -1.26 -2.47 113.62 109.01 2jkr n SER 255 Ca 0.09 0.84 -0.31 0.00 -1.33 0.00 0.00 58.87 58.16 2jkr n SER 255 Cb 0.26 -0.17 0.06 0.00 -0.75 0.00 0.00 64.21 63.61 2jkr n SER 255 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2jkr n LYS 256 N -4.02 3.07 0.23 -1.46 5.02 -1.26 -4.66 118.16 115.08 2jkr n LYS 256 Ca 0.01 -3.65 0.13 0.00 -2.02 0.00 0.00 58.31 52.78 2jkr n LYS 256 Cb 0.10 -2.29 0.31 0.00 -0.02 0.00 0.00 35.03 33.13 2jkr n LYS 256 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 2jkr h PHE 257 N 2.08 0.00 -0.00 2.13 3.57 -1.63 -2.31 116.94 120.78 2jkr h PHE 257 Ca 0.51 0.00 0.00 0.00 3.53 0.00 0.00 57.97 62.01 2jkr h PHE 257 Cb 1.10 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.84 2jkr h PHE 257 CO 1.20 0.01 -0.04 -0.25 -2.23 0.00 0.00 178.31 176.99 2jkr n ASP 258 N -3.10 0.40 -4.07 0.41 8.00 -1.26 -3.91 116.55 113.02 2jkr n ASP 258 Ca 0.03 -0.77 -0.37 0.00 0.71 0.00 0.00 54.79 54.39 2jkr n ASP 258 Cb 0.47 -0.07 -0.06 0.00 -0.02 0.00 0.00 41.12 41.45 2jkr n ASP 258 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2jkr n SER 259 N -0.86 4.43 0.00 -2.24 2.88 -0.87 -4.52 113.62 112.45 2jkr n SER 259 Ca 0.18 -3.17 0.00 0.00 -1.33 0.00 0.00 58.87 54.55 2jkr n SER 259 Cb 0.23 -1.07 0.00 0.00 -0.75 0.00 0.00 64.21 62.62 2jkr n SER 259 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2jkr n GLU 260 N 2.16 0.00 0.05 -1.46 -0.58 -1.25 -3.96 120.64 115.60 2jkr n GLU 260 Ca 0.23 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.97 2jkr n GLU 260 Cb 0.37 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.24 2jkr n GLU 260 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 2jkr n ARG 261 N 0.00 0.00 -1.84 3.49 1.85 -1.25 -4.74 116.66 114.17 2jkr n ARG 261 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2jkr n ARG 261 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 2jkr n ARG 261 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2jkr n SER 262 N -2.69 0.00 -4.55 2.89 7.64 -1.25 -4.06 113.62 111.59 2jkr n SER 262 Ca 0.00 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.51 2jkr n SER 262 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 2jkr n SER 262 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2jkr s ILE 263 N -1.78 3.16 -0.02 0.44 1.09 -1.22 -4.18 121.20 118.69 2jkr s ILE 263 Ca 0.00 0.10 -0.14 0.00 -1.10 0.00 0.00 60.65 59.51 2jkr s ILE 263 Cb 0.00 -3.41 -0.05 0.00 -1.06 0.00 0.00 42.46 37.94 2jkr s ILE 263 CO 0.00 -0.39 0.38 -0.44 -0.10 0.00 0.00 174.94 174.39 2jkr s SER 264 N 10.28 6.76 0.19 3.58 0.01 -1.03 -1.04 113.70 132.45 2jkr s SER 264 Ca 0.85 0.90 -0.24 0.00 1.31 0.00 0.00 55.95 58.77 2jkr s SER 264 Cb -0.16 -2.23 0.05 0.00 0.21 0.00 0.00 66.02 63.89 2jkr s SER 264 CO 0.24 0.31 0.87 0.72 0.41 0.00 0.00 173.24 175.79 2jkr s PHE 265 N -0.94 -0.17 -0.35 2.43 -0.12 -1.05 0.94 117.98 118.72 2jkr s PHE 265 Ca 0.23 -0.18 0.01 0.00 -0.05 0.00 0.00 56.93 56.93 2jkr s PHE 265 Cb -0.16 0.66 0.11 0.00 -0.63 0.00 0.00 43.02 43.00 2jkr s PHE 265 CO 0.12 -0.96 0.13 0.42 -0.05 0.00 0.00 175.22 174.88 2jkr s ILE 266 N -3.51 1.20 0.10 -4.49 1.09 -1.22 -1.70 121.20 112.67 2jkr s ILE 266 Ca 0.11 -1.86 -0.31 0.00 -1.10 0.00 0.00 60.65 57.50 2jkr s ILE 266 Cb -0.03 -1.88 -0.07 0.00 -1.06 0.00 0.00 42.46 39.42 2jkr s ILE 266 CO 0.03 -0.73 1.30 -2.16 -0.10 0.00 0.00 174.94 173.27 2jkr s PRO 267 N 1.15 4.38 1.02 2.79 0.05 -1.26 -4.84 135.00 138.29 2jkr s PRO 267 Ca 0.12 1.94 -0.16 0.00 0.05 0.00 0.00 61.00 62.95 2jkr s PRO 267 Cb -0.20 -3.29 0.03 0.00 0.05 0.00 0.00 34.50 31.10 2jkr s PRO 267 CO -0.15 -0.33 0.04 -2.30 0.05 0.00 0.00 177.00 174.31 2jkr n PRO 268 N 3.80 -0.74 -2.90 0.56 -0.02 -1.26 -4.89 135.00 129.55 2jkr n PRO 268 Ca 0.10 -0.19 -0.35 0.00 -2.02 0.00 0.00 63.50 61.03 2jkr n PRO 268 Cb 0.44 -1.68 -0.06 0.00 -0.02 0.00 0.00 33.50 32.18 2jkr n PRO 268 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2jkr s ASP 269 N -1.81 7.13 0.12 2.55 3.68 -1.26 -4.82 116.67 122.27 2jkr s ASP 269 Ca 0.54 1.65 0.00 0.00 2.13 0.00 0.00 52.55 56.87 2jkr s ASP 269 Cb -0.16 -2.51 0.00 0.00 -1.45 0.00 0.00 42.92 38.80 2jkr s ASP 269 CO 0.68 -0.12 0.00 0.61 0.13 0.00 0.00 175.17 176.48 2jkr n GLY 270 N 0.26 0.05 3.79 2.66 0.00 -0.82 -4.85 105.19 106.30 2jkr n GLY 270 Ca 0.02 -0.99 -0.38 0.00 0.00 0.00 0.00 46.02 44.66 2jkr n GLY 270 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jkr s GLU 271 N 0.00 4.17 0.20 1.61 2.12 -1.26 -0.37 118.70 125.18 2jkr s GLU 271 Ca 0.00 0.61 -0.15 0.00 0.36 0.00 0.00 54.97 55.79 2jkr s GLU 271 Cb 0.00 -3.29 0.01 0.00 0.26 0.00 0.00 34.13 31.11 2jkr s GLU 271 CO 0.00 0.52 0.47 -0.59 -0.54 0.00 0.00 175.26 175.12 2jkr s PHE 272 N -0.63 0.10 -0.53 5.30 -0.12 0.26 -4.97 117.98 117.39 2jkr s PHE 272 Ca 0.28 -0.46 -0.17 0.00 -0.05 0.00 0.00 56.93 56.53 2jkr s PHE 272 Cb -0.18 0.26 0.09 0.00 -0.63 0.00 0.00 43.02 42.57 2jkr s PHE 272 CO 0.16 -0.91 0.55 -2.00 -0.05 0.00 0.00 175.22 172.97 2jkr s GLU 273 N -3.93 3.03 0.26 1.99 2.12 -1.26 -1.91 118.70 119.00 2jkr s GLU 273 Ca 0.14 -1.33 0.03 0.00 0.36 0.00 0.00 54.97 54.17 2jkr s GLU 273 Cb -0.00 -4.20 0.34 0.00 0.26 0.00 0.00 34.13 30.53 2jkr s GLU 273 CO 0.01 -1.27 1.64 1.25 -0.54 0.00 0.00 175.26 176.35 2jkr h LEU 274 N 9.29 0.37 -7.00 2.70 5.85 -1.65 -3.38 115.31 121.48 2jkr h LEU 274 Ca -0.29 -0.17 0.07 0.00 0.84 0.00 0.00 57.88 58.34 2jkr h LEU 274 Cb 1.10 -0.10 -0.26 0.00 0.37 0.00 0.00 40.66 41.77 2jkr h LEU 274 CO 0.99 0.77 0.51 0.00 -0.34 0.00 0.00 178.44 180.37 2jkr s MET 275 N -4.11 0.50 -0.11 1.25 0.23 -1.17 -2.60 119.30 113.29 2jkr s MET 275 Ca -0.05 0.44 -0.01 0.00 -1.03 0.00 0.00 55.69 55.03 2jkr s MET 275 Cb 0.13 0.24 0.03 0.00 -1.53 0.00 0.00 34.83 33.70 2jkr s MET 275 CO 0.79 -0.09 -0.04 0.50 -2.03 0.00 0.00 175.02 174.15 2jkr s ARG 276 N -0.17 1.15 0.02 3.16 3.52 0.01 -1.06 118.95 125.58 2jkr s ARG 276 Ca 0.02 -0.18 0.01 0.00 -0.13 0.00 0.00 55.73 55.44 2jkr s ARG 276 Cb -0.04 -1.48 -0.00 0.00 -1.56 0.00 0.00 34.95 31.88 2jkr s ARG 276 CO -0.04 -0.33 0.02 2.48 -0.81 0.00 0.00 175.30 176.62 2jkr n TYR 277 N 5.01 -0.05 -3.34 5.12 0.18 -1.18 -1.18 117.16 121.72 2jkr n TYR 277 Ca -0.10 -0.20 0.02 0.00 1.88 0.00 0.00 57.90 59.50 2jkr n TYR 277 Cb 0.49 0.02 -0.04 0.00 -0.38 0.00 0.00 39.34 39.43 2jkr n TYR 277 CO 0.00 0.00 0.00 -0.98 -2.08 0.00 0.00 176.86 173.80 2jkr s ARG 278 N -2.10 0.23 0.18 -3.48 1.70 -1.21 -0.13 118.95 114.13 2jkr s ARG 278 Ca 0.03 0.57 0.04 0.00 -0.47 0.00 0.00 55.73 55.90 2jkr s ARG 278 Cb 0.00 0.34 -0.04 0.00 -0.57 0.00 0.00 34.95 34.69 2jkr s ARG 278 CO 0.02 -0.08 0.21 -0.08 -1.08 0.00 0.00 175.30 174.28 2jkr s THR 279 N 2.37 4.81 0.00 4.99 -1.32 -0.92 -1.52 115.64 124.05 2jkr s THR 279 Ca -0.02 -0.99 0.00 0.00 -1.21 0.00 0.00 61.69 59.47 2jkr s THR 279 Cb -0.05 -3.49 0.00 0.00 -1.51 0.00 0.00 72.50 67.45 2jkr s THR 279 CO -0.17 -0.15 0.15 0.35 -2.21 0.00 0.00 174.62 172.59 2jkr n THR 280 N -0.60 0.00 0.00 5.08 -2.24 -1.26 -1.52 114.28 113.73 2jkr n THR 280 Ca -0.08 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 2jkr n THR 280 Cb 0.55 1.31 0.00 0.00 -2.10 0.00 0.00 70.33 70.09 2jkr n THR 280 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2jkr n LYS 281 N -0.19 0.00 -1.57 -0.78 5.02 -1.26 -4.73 118.16 114.65 2jkr n LYS 281 Ca 0.00 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.89 2jkr n LYS 281 Cb 0.08 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.07 2jkr n LYS 281 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2jkr n ASP 282 N 0.00 7.99 -4.73 4.39 8.00 -1.26 -4.92 116.55 126.02 2jkr n ASP 282 Ca 0.00 -2.76 -0.41 0.00 0.71 0.00 0.00 54.79 52.32 2jkr n ASP 282 Cb 0.00 -1.51 -0.04 0.00 -0.02 0.00 0.00 41.12 39.55 2jkr n ASP 282 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2jkr s ILE 283 N 1.34 4.43 -1.27 0.53 1.01 -1.26 -4.65 121.20 121.32 2jkr s ILE 283 Ca 0.63 1.96 -0.14 0.00 0.00 0.00 0.00 60.65 63.10 2jkr s ILE 283 Cb 0.17 -4.25 0.14 0.00 0.01 0.00 0.00 42.46 38.53 2jkr s ILE 283 CO -0.07 0.27 1.69 -0.38 0.00 0.00 0.00 174.94 176.45 2jkr n ILE 284 N 2.98 4.13 -1.68 2.92 2.08 0.26 -5.00 119.36 125.04 2jkr n ILE 284 Ca 0.03 -4.35 -0.53 0.00 0.56 0.00 0.00 62.75 58.47 2jkr n ILE 284 Cb 0.49 -2.43 -0.06 0.00 -0.75 0.00 0.00 39.64 36.89 2jkr n ILE 284 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 2jkr n LEU 285 N 5.80 2.70 0.16 1.39 4.77 -1.26 -4.71 117.00 125.85 2jkr n LEU 285 Ca 0.42 1.05 0.03 0.00 -0.03 0.00 0.00 56.01 57.48 2jkr n LEU 285 Cb 0.41 -1.24 0.22 0.00 -2.33 0.00 0.00 43.42 40.48 2jkr n LEU 285 CO 0.73 -0.37 0.58 -0.65 -1.33 0.00 0.00 177.39 176.34 2jkr h PRO 286 N 7.43 0.00 -4.16 3.23 0.11 -1.94 -3.45 132.00 133.22 2jkr h PRO 286 Ca -0.47 0.00 -0.37 0.00 0.11 0.00 0.00 66.00 65.27 2jkr h PRO 286 Cb 1.30 0.00 -0.31 0.00 0.11 0.00 0.00 31.00 32.10 2jkr h PRO 286 CO 0.93 0.47 -0.76 -0.06 -0.21 0.00 0.00 178.00 178.37 2jkr s PHE 287 N -3.39 0.60 -0.10 0.65 0.40 -1.26 -2.14 117.98 112.74 2jkr s PHE 287 Ca 0.01 -0.13 -0.15 0.00 -0.60 0.00 0.00 56.93 56.06 2jkr s PHE 287 Cb 0.10 -0.49 -0.05 0.00 0.51 0.00 0.00 43.02 43.10 2jkr s PHE 287 CO 0.72 -0.10 0.36 0.50 0.70 0.00 0.00 175.22 177.40 2jkr s ARG 288 N 0.44 4.12 -0.23 0.44 3.52 -0.37 -4.96 118.95 121.92 2jkr s ARG 288 Ca -0.05 0.27 -0.07 0.00 -0.13 0.00 0.00 55.73 55.74 2jkr s ARG 288 Cb -0.09 -3.35 -0.03 0.00 -1.56 0.00 0.00 34.95 29.92 2jkr s ARG 288 CO -0.00 0.39 0.07 0.08 -0.81 0.00 0.00 175.30 175.02 2jkr s VAL 289 N -0.06 4.41 -0.45 7.11 1.01 -1.26 -1.46 120.40 129.71 2jkr s VAL 289 Ca 0.21 -0.15 -0.08 0.00 0.00 0.00 0.00 61.98 61.96 2jkr s VAL 289 Cb -0.15 -3.04 0.11 0.00 0.00 0.00 0.00 36.38 33.30 2jkr s VAL 289 CO 0.08 0.37 0.30 -0.63 0.00 0.00 0.00 175.10 175.22 2jkr s ILE 290 N 1.31 4.07 -0.36 2.22 1.01 -0.54 -4.95 121.20 123.96 2jkr s ILE 290 Ca 0.05 -1.72 -0.16 0.00 0.00 0.00 0.00 60.65 58.82 2jkr s ILE 290 Cb -0.15 -3.65 -0.01 0.00 0.01 0.00 0.00 42.46 38.67 2jkr s ILE 290 CO 0.03 -0.69 0.39 -2.16 0.00 0.00 0.00 174.94 172.52 2jkr s PRO 291 N 1.35 3.49 -0.88 2.79 0.05 -1.26 -2.14 135.00 138.39 2jkr s PRO 291 Ca 0.05 -0.45 -0.10 0.00 0.05 0.00 0.00 61.00 60.56 2jkr s PRO 291 Cb -0.25 -3.83 0.23 0.00 0.05 0.00 0.00 34.50 30.69 2jkr s PRO 291 CO -0.01 -0.59 0.81 -0.51 0.05 0.00 0.00 177.00 176.75 2jkr s LEU 292 N 2.08 6.28 0.00 -3.56 1.43 0.33 -4.96 118.68 120.28 2jkr s LEU 292 Ca 0.12 -3.07 -0.14 0.00 -1.03 0.00 0.00 54.13 50.01 2jkr s LEU 292 Cb -0.17 -2.12 0.20 0.00 0.03 0.00 0.00 46.19 44.14 2jkr s LEU 292 CO 0.12 -0.42 0.97 0.55 0.23 0.00 0.00 176.35 177.80 2jkr n VAL 293 N 3.38 0.00 -3.15 -1.59 3.14 -1.26 -1.38 118.33 117.47 2jkr n VAL 293 Ca 0.16 -0.61 0.06 0.00 -2.96 0.00 0.00 64.34 61.00 2jkr n VAL 293 Cb 0.42 -1.44 -0.01 0.00 -1.06 0.00 0.00 33.84 31.76 2jkr n VAL 293 CO 0.00 0.00 0.00 -0.60 -6.46 0.00 0.00 176.83 169.77 2jkr s ARG 294 N -5.15 0.01 -0.67 1.45 6.06 -1.13 -4.90 118.95 114.62 2jkr s ARG 294 Ca 0.58 0.01 -0.22 0.00 -2.50 0.00 0.00 55.73 53.60 2jkr s ARG 294 Cb -0.03 0.00 0.08 0.00 0.06 0.00 0.00 34.95 35.06 2jkr s ARG 294 CO 0.42 -0.01 0.95 -1.21 -2.50 0.00 0.00 175.30 172.95 2jkr s GLU 295 N 3.00 3.14 -1.13 5.12 2.02 -1.26 -2.50 118.70 127.09 2jkr s GLU 295 Ca 0.20 -0.94 -0.17 0.00 0.02 0.00 0.00 54.97 54.08 2jkr s GLU 295 Cb -0.02 -4.29 0.12 0.00 0.10 0.00 0.00 34.13 30.05 2jkr s GLU 295 CO -0.17 -1.79 1.43 0.54 0.02 0.00 0.00 175.26 175.28 2jkr s VAL 296 N 3.85 4.60 0.00 2.63 0.11 -1.17 -4.91 120.40 125.50 2jkr s VAL 296 Ca 0.22 -1.95 0.00 0.00 -2.93 0.00 0.00 61.98 57.32 2jkr s VAL 296 Cb -0.17 -4.97 0.00 0.00 -1.53 0.00 0.00 36.38 29.72 2jkr s VAL 296 CO 0.08 -1.73 0.00 0.61 -3.33 0.00 0.00 175.10 170.73 2jkr n GLY 297 N 5.13 -0.51 0.28 6.54 0.00 -1.26 -3.33 105.19 112.04 2jkr n GLY 297 Ca 0.36 -0.66 0.14 0.00 0.00 0.00 0.00 46.02 45.86 2jkr n GLY 297 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jkr n ARG 298 N -1.22 1.11 0.00 1.61 1.74 -1.26 -4.35 116.66 114.29 2jkr n ARG 298 Ca 0.00 -0.56 0.00 0.00 -0.77 0.00 0.00 57.85 56.52 2jkr n ARG 298 Cb 0.00 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 29.95 2jkr n ARG 298 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 2jkr n THR 299 N -0.45 0.00 -4.23 0.55 5.66 -1.24 -4.69 114.28 109.88 2jkr n THR 299 Ca 0.16 0.83 -0.28 0.00 -3.05 0.00 0.00 64.05 61.71 2jkr n THR 299 Cb 0.32 -1.61 -0.04 0.00 -1.55 0.00 0.00 70.33 67.44 2jkr n THR 299 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 2jkr s LYS 300 N -1.29 2.23 -0.24 1.09 -2.85 -1.21 -0.61 119.74 116.86 2jkr s LYS 300 Ca 0.00 -2.11 -0.03 0.00 -1.00 0.00 0.00 55.97 52.83 2jkr s LYS 300 Cb 0.00 -1.89 0.13 0.00 -2.06 0.00 0.00 37.83 34.01 2jkr s LYS 300 CO 0.00 -0.43 0.35 -1.17 0.10 0.00 0.00 175.35 174.19 2jkr s LEU 301 N -4.07 -0.53 -0.39 2.77 2.96 -0.82 -3.06 118.68 115.55 2jkr s LEU 301 Ca 0.26 0.10 -0.14 0.00 -0.22 0.00 0.00 54.13 54.13 2jkr s LEU 301 Cb 0.00 0.96 0.01 0.00 0.50 0.00 0.00 46.19 47.66 2jkr s LEU 301 CO 0.15 -0.31 0.27 -1.83 -1.32 0.00 0.00 176.35 173.31 2jkr s GLU 302 N 2.50 3.08 -0.13 1.98 -1.05 -1.04 -1.43 118.70 122.61 2jkr s GLU 302 Ca 0.11 -0.94 -0.05 0.00 -0.15 0.00 0.00 54.97 53.95 2jkr s GLU 302 Cb -0.15 -3.89 -0.04 0.00 -0.44 0.00 0.00 34.13 29.61 2jkr s GLU 302 CO -0.16 -0.66 0.04 0.08 0.95 0.00 0.00 175.26 175.51 2jkr s VAL 303 N 1.67 4.66 -0.07 1.83 1.01 -0.10 -2.85 120.40 126.55 2jkr s VAL 303 Ca 0.05 -0.10 0.03 0.00 0.00 0.00 0.00 61.98 61.96 2jkr s VAL 303 Cb -0.19 -3.03 0.01 0.00 0.00 0.00 0.00 36.38 33.17 2jkr s VAL 303 CO 0.09 0.55 -0.15 -0.75 0.00 0.00 0.00 175.10 174.84 2jkr s LYS 304 N -0.37 1.92 -0.06 2.72 2.20 -0.48 -0.13 119.74 125.54 2jkr s LYS 304 Ca 0.09 -0.52 0.02 0.00 -0.36 0.00 0.00 55.97 55.19 2jkr s LYS 304 Cb -0.12 -1.57 0.01 0.00 -1.51 0.00 0.00 37.83 34.65 2jkr s LYS 304 CO 0.02 0.09 -0.11 0.08 -0.36 0.00 0.00 175.35 175.07 2jkr s VAL 305 N 0.48 1.02 0.01 4.02 1.01 -0.20 -0.51 120.40 126.24 2jkr s VAL 305 Ca -0.13 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 61.46 2jkr s VAL 305 Cb -0.15 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 2jkr s VAL 305 CO 0.04 0.33 -0.05 -0.69 0.00 0.00 0.00 175.10 174.73 2jkr s VAL 306 N 0.63 3.77 -0.10 2.92 1.01 -0.91 -0.77 120.40 126.95 2jkr s VAL 306 Ca -0.13 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.10 2jkr s VAL 306 Cb -0.15 -2.67 0.01 0.00 0.00 0.00 0.00 36.38 33.57 2jkr s VAL 306 CO 0.03 0.35 -0.19 0.27 0.00 0.00 0.00 175.10 175.56 2jkr s ILE 307 N -1.05 1.72 -0.28 2.22 -4.36 0.11 -1.46 121.20 118.10 2jkr s ILE 307 Ca 0.18 -0.80 -0.06 0.00 -0.26 0.00 0.00 60.65 59.72 2jkr s ILE 307 Cb -0.11 -1.52 0.01 0.00 1.25 0.00 0.00 42.46 42.08 2jkr s ILE 307 CO 0.09 0.48 0.05 -0.75 0.24 0.00 0.00 174.94 175.05 2jkr s LYS 308 N 0.66 3.12 0.26 0.37 2.20 -0.53 -1.54 119.74 124.27 2jkr s LYS 308 Ca -0.13 -0.82 -0.28 0.00 -0.36 0.00 0.00 55.97 54.38 2jkr s LYS 308 Cb -0.16 -3.28 -0.09 0.00 -1.51 0.00 0.00 37.83 32.78 2jkr s LYS 308 CO 0.03 -0.40 0.92 -1.54 -0.36 0.00 0.00 175.35 174.01 2jkr s SER 309 N 1.48 7.51 -0.10 1.43 1.04 -0.87 -1.23 113.70 122.97 2jkr s SER 309 Ca 0.03 1.87 0.16 0.00 0.48 0.00 0.00 55.95 58.49 2jkr s SER 309 Cb -0.17 -2.58 0.32 0.00 0.10 0.00 0.00 66.02 63.69 2jkr s SER 309 CO 0.01 0.09 1.16 -0.46 0.98 0.00 0.00 173.24 175.03 2jkr n ASN 310 N 1.20 0.19 -4.20 7.02 0.23 -0.91 -2.60 115.26 116.19 2jkr n ASN 310 Ca -0.01 -2.03 -0.25 0.00 -0.53 0.00 0.00 54.58 51.75 2jkr n ASN 310 Cb 0.48 -0.03 0.15 0.00 -2.08 0.00 0.00 39.78 38.31 2jkr n ASN 310 CO 0.00 0.00 0.00 2.22 -0.93 0.00 0.00 177.26 178.55 2jkr n PHE 311 N -0.13 -3.40 -1.86 -2.53 1.16 -1.26 -4.87 117.46 104.56 2jkr n PHE 311 Ca -0.07 -1.47 -0.37 0.00 -1.87 0.00 0.00 57.45 53.68 2jkr n PHE 311 Cb 0.92 -0.83 0.05 0.00 -1.61 0.00 0.00 39.48 38.01 2jkr n PHE 311 CO 0.00 0.00 0.00 0.21 -1.87 0.00 0.00 176.76 175.10 2jkr s LYS 312 N -5.37 2.80 0.43 3.97 2.20 -1.26 -3.23 119.74 119.28 2jkr s LYS 312 Ca 0.68 1.99 0.22 0.00 -0.36 0.00 0.00 55.97 58.50 2jkr s LYS 312 Cb -0.03 -1.93 0.95 0.00 -1.51 0.00 0.00 37.83 35.31 2jkr s LYS 312 CO 0.46 -1.38 1.85 -1.35 -0.36 0.00 0.00 175.35 174.57 2jkr h PRO 313 N 0.80 0.00 0.00 4.03 0.11 -1.95 -3.16 132.00 131.84 2jkr h PRO 313 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2jkr h PRO 313 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 2jkr h PRO 313 CO 0.54 0.26 0.00 0.43 -0.21 0.00 0.00 178.00 179.03 2jkr n SER 314 N -3.54 0.00 -3.76 -2.05 7.64 -1.26 -3.85 113.62 106.80 2jkr n SER 314 Ca -0.01 -0.98 -0.11 0.00 1.01 0.00 0.00 58.87 58.79 2jkr n SER 314 Cb 0.41 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.54 2jkr n SER 314 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 2jkr s LEU 315 N -1.07 0.92 -0.21 -3.43 0.05 -1.20 -5.04 118.68 108.71 2jkr s LEU 315 Ca 0.02 -0.30 -0.02 0.00 0.05 0.00 0.00 54.13 53.88 2jkr s LEU 315 Cb 0.01 1.36 0.01 0.00 -2.05 0.00 0.00 46.19 45.51 2jkr s LEU 315 CO 0.01 -0.67 -0.11 -0.76 -0.55 0.00 0.00 176.35 174.27 2jkr s LEU 316 N -2.32 2.61 0.56 1.48 1.43 -1.26 -1.97 118.68 119.21 2jkr s LEU 316 Ca -0.02 -0.55 -0.17 0.00 -1.03 0.00 0.00 54.13 52.36 2jkr s LEU 316 Cb 0.01 -1.63 -0.05 0.00 0.03 0.00 0.00 46.19 44.55 2jkr s LEU 316 CO -0.06 -0.02 1.06 0.00 0.23 0.00 0.00 176.35 177.56 2jkr s ALA 317 N 1.39 2.76 0.29 4.21 0.00 -0.70 -4.41 121.76 125.30 2jkr s ALA 317 Ca 0.05 0.50 0.04 0.00 0.00 0.00 0.00 51.96 52.55 2jkr s ALA 317 Cb -0.14 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 2jkr s ALA 317 CO -0.07 -0.68 0.20 -0.65 0.00 0.00 0.00 175.76 174.55 2jkr s GLN 318 N -3.75 1.56 -1.50 0.00 -0.21 -0.54 -2.66 119.66 112.56 2jkr s GLN 318 Ca 0.66 -1.88 -0.00 0.00 0.02 0.00 0.00 55.36 54.15 2jkr s GLN 318 Cb -0.17 0.16 0.00 0.00 1.00 0.00 0.00 33.01 34.00 2jkr s GLN 318 CO 0.31 -0.51 0.17 1.63 -2.12 0.00 0.00 175.29 174.77 2jkr n LYS 319 N -0.52 -1.87 -3.04 2.91 5.02 -1.19 -2.31 118.16 117.16 2jkr n LYS 319 Ca 0.04 0.21 -0.40 0.00 -2.02 0.00 0.00 58.31 56.14 2jkr n LYS 319 Cb 0.64 -3.96 -0.05 0.00 -0.02 0.00 0.00 35.03 31.64 2jkr n LYS 319 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2jkr s ILE 320 N -4.21 5.04 0.00 -0.18 1.01 -0.89 -4.06 121.20 117.91 2jkr s ILE 320 Ca 0.01 1.46 0.05 0.00 0.00 0.00 0.00 60.65 62.17 2jkr s ILE 320 Cb -0.00 -4.05 -0.01 0.00 0.01 0.00 0.00 42.46 38.40 2jkr s ILE 320 CO 0.96 0.24 -0.15 -1.61 0.00 0.00 0.00 174.94 174.37 2jkr s GLU 321 N 0.85 1.19 -0.11 2.79 2.02 -0.34 -0.36 118.70 124.73 2jkr s GLU 321 Ca 0.38 -0.61 0.00 0.00 0.02 0.00 0.00 54.97 54.76 2jkr s GLU 321 Cb -0.18 -1.17 0.02 0.00 0.10 0.00 0.00 34.13 32.90 2jkr s GLU 321 CO 0.18 0.32 -0.11 0.08 0.02 0.00 0.00 175.26 175.75 2jkr s VAL 322 N -0.47 1.23 -0.53 2.63 1.01 0.97 -1.62 120.40 123.62 2jkr s VAL 322 Ca 0.05 -0.44 -0.07 0.00 0.00 0.00 0.00 61.98 61.53 2jkr s VAL 322 Cb -0.06 -1.18 0.14 0.00 0.00 0.00 0.00 36.38 35.27 2jkr s VAL 322 CO -0.00 0.40 0.37 -0.60 0.00 0.00 0.00 175.10 175.27 2jkr s ARG 323 N 1.42 2.49 -0.30 2.72 3.52 -0.36 -1.01 118.95 127.43 2jkr s ARG 323 Ca 0.01 -2.03 -0.25 0.00 -0.13 0.00 0.00 55.73 53.33 2jkr s ARG 323 Cb -0.13 -3.85 0.01 0.00 -1.56 0.00 0.00 34.95 29.42 2jkr s ARG 323 CO -0.06 -1.17 0.89 0.42 -0.81 0.00 0.00 175.30 174.57 2jkr s ILE 324 N 0.86 4.70 0.29 4.11 1.09 -0.69 -3.18 121.20 128.38 2jkr s ILE 324 Ca 0.10 1.42 -0.29 0.00 -1.10 0.00 0.00 60.65 60.78 2jkr s ILE 324 Cb -0.23 -4.24 -0.10 0.00 -1.06 0.00 0.00 42.46 36.84 2jkr s ILE 324 CO -0.03 -0.31 1.18 -2.16 -0.10 0.00 0.00 174.94 173.52 2jkr s PRO 325 N 3.17 4.53 0.22 2.79 0.04 -1.26 -0.61 135.00 143.88 2jkr s PRO 325 Ca 0.37 1.95 0.06 0.00 0.04 0.00 0.00 61.00 63.43 2jkr s PRO 325 Cb -0.14 -3.15 -0.04 0.00 0.04 0.00 0.00 34.50 31.22 2jkr s PRO 325 CO 0.13 0.05 0.19 0.95 0.04 0.00 0.00 177.00 178.36 2jkr s THR 326 N -1.09 4.53 0.86 1.26 -4.23 -1.13 -4.85 115.64 111.00 2jkr s THR 326 Ca 0.47 -1.27 -0.12 0.00 -1.18 0.00 0.00 61.69 59.59 2jkr s THR 326 Cb -0.35 -3.41 0.11 0.00 1.34 0.00 0.00 72.50 70.19 2jkr s THR 326 CO 0.45 -0.27 1.14 -2.65 -0.54 0.00 0.00 174.62 172.74 2jkr n PRO 327 N -0.94 -0.12 0.17 3.99 -0.02 -1.26 -4.75 135.00 132.07 2jkr n PRO 327 Ca -0.08 0.04 0.03 0.00 -2.02 0.00 0.00 63.50 61.47 2jkr n PRO 327 Cb 0.57 -2.38 0.28 0.00 -0.02 0.00 0.00 33.50 31.95 2jkr n PRO 327 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2jkr h LEU 328 N -1.36 0.00 -3.37 2.45 -0.00 -1.98 -3.05 115.31 108.01 2jkr h LEU 328 Ca -0.45 0.00 -0.36 0.00 -0.00 0.00 0.00 57.88 57.08 2jkr h LEU 328 Cb 1.29 0.00 -0.21 0.00 -0.00 0.00 0.00 40.66 41.73 2jkr h LEU 328 CO 0.43 0.47 0.45 -0.46 -0.00 0.00 0.00 178.44 179.33 2jkr n ASN 329 N -3.72 3.53 -4.77 -0.43 6.94 -1.26 -4.94 115.26 110.61 2jkr n ASN 329 Ca -0.01 -3.10 -0.39 0.00 -0.02 0.00 0.00 54.58 51.06 2jkr n ASN 329 Cb 0.53 -0.73 -0.00 0.00 -2.36 0.00 0.00 39.78 37.21 2jkr n ASN 329 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 2jkr s THR 330 N -2.26 2.62 0.00 5.53 2.01 -1.15 -0.27 115.64 122.12 2jkr s THR 330 Ca 0.39 0.54 0.00 0.00 0.31 0.00 0.00 61.69 62.93 2jkr s THR 330 Cb 0.33 -3.32 0.00 0.00 0.01 0.00 0.00 72.50 69.52 2jkr s THR 330 CO 0.07 0.07 0.00 -1.54 -0.69 0.00 0.00 174.62 172.54 2jkr n SER 331 N 0.03 1.57 -3.60 3.53 3.41 0.13 -4.69 113.62 114.01 2jkr n SER 331 Ca 0.04 -0.02 -0.16 0.00 -0.26 0.00 0.00 58.87 58.47 2jkr n SER 331 Cb 0.44 0.36 -0.07 0.00 -0.26 0.00 0.00 64.21 64.68 2jkr n SER 331 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2jkr s GLY 332 N -0.67 -0.52 -0.12 5.00 0.00 -0.92 -4.94 107.32 105.15 2jkr s GLY 332 Ca 0.00 1.54 -0.06 0.00 0.00 0.00 0.00 44.72 46.21 2jkr s GLY 332 CO 0.00 1.24 0.27 0.14 0.00 0.00 0.00 173.10 174.75 2jkr s VAL 333 N -0.44 -0.14 -0.01 1.40 1.01 -1.26 0.47 120.40 121.43 2jkr s VAL 333 Ca -0.06 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.10 2jkr s VAL 333 Cb -0.03 -0.43 0.02 0.00 0.00 0.00 0.00 36.38 35.94 2jkr s VAL 333 CO 0.05 0.07 0.01 0.00 0.00 0.00 0.00 175.10 175.23 2jkr s GLN 334 N 1.59 0.06 0.44 2.72 0.00 -0.11 -4.99 119.66 119.37 2jkr s GLN 334 Ca -0.07 0.08 0.06 0.00 -0.00 0.00 0.00 55.36 55.44 2jkr s GLN 334 Cb -0.11 -0.22 -0.04 0.00 0.00 0.00 0.00 33.01 32.64 2jkr s GLN 334 CO -0.09 -0.09 0.15 0.14 0.00 0.00 0.00 175.29 175.40 2jkr s VAL 335 N 0.63 2.04 -0.31 3.63 -7.23 -1.26 0.29 120.40 118.19 2jkr s VAL 335 Ca -0.06 -1.77 -0.02 0.00 -1.81 0.00 0.00 61.98 58.32 2jkr s VAL 335 Cb -0.08 -2.81 0.12 0.00 0.56 0.00 0.00 36.38 34.17 2jkr s VAL 335 CO -0.02 0.00 0.16 -0.63 -0.31 0.00 0.00 175.10 174.31 2jkr s ILE 336 N -2.67 0.02 -0.16 -0.62 1.09 0.28 -4.92 121.20 114.21 2jkr s ILE 336 Ca 0.35 -1.14 -0.19 0.00 -1.10 0.00 0.00 60.65 58.56 2jkr s ILE 336 Cb 0.04 -1.04 -0.03 0.00 -1.06 0.00 0.00 42.46 40.37 2jkr s ILE 336 CO 0.19 -0.83 0.55 0.00 -0.10 0.00 0.00 174.94 174.74 2jkr n MET 338 N 4.43 0.00 -1.65 0.00 2.81 -1.13 -4.81 117.12 116.77 2jkr n MET 338 Ca -0.04 0.00 -0.32 0.00 -1.81 0.00 0.00 57.70 55.53 2jkr n MET 338 Cb 0.51 -0.18 0.05 0.00 -0.71 0.00 0.00 33.22 32.88 2jkr n MET 338 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2jkr s LYS 339 N 0.00 2.89 0.47 0.03 1.02 -1.26 -4.97 119.74 117.92 2jkr s LYS 339 Ca 0.00 1.09 0.00 0.00 0.02 0.00 0.00 55.97 57.08 2jkr s LYS 339 Cb 0.00 -1.98 0.00 0.00 -0.52 0.00 0.00 37.83 35.33 2jkr s LYS 339 CO 0.00 -1.14 0.00 0.41 -0.92 0.00 0.00 175.35 173.70 2jkr n GLY 340 N -1.46 -1.97 3.28 -3.33 0.00 -1.26 -4.95 105.19 95.49 2jkr n GLY 340 Ca 0.08 -1.33 -0.16 0.00 0.00 0.00 0.00 46.02 44.61 2jkr n GLY 340 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jkr s LYS 341 N -1.19 1.14 0.01 1.61 2.20 -1.06 -4.87 119.74 117.59 2jkr s LYS 341 Ca 0.00 -1.47 0.00 0.00 -0.36 0.00 0.00 55.97 54.15 2jkr s LYS 341 Cb 0.00 -0.81 -0.01 0.00 -1.51 0.00 0.00 37.83 35.50 2jkr s LYS 341 CO 0.00 0.12 -0.03 0.00 -0.36 0.00 0.00 175.35 175.09 2jkr s ALA 342 N -3.06 0.14 0.04 3.13 0.00 -1.26 -1.60 121.76 119.15 2jkr s ALA 342 Ca 0.17 -0.38 0.06 0.00 0.00 0.00 0.00 51.96 51.81 2jkr s ALA 342 Cb 0.01 0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.18 2jkr s ALA 342 CO 0.03 -0.08 -0.16 -1.59 0.00 0.00 0.00 175.76 173.96 2jkr s LYS 343 N -0.89 1.10 0.13 0.00 -2.85 -1.00 -4.96 119.74 111.27 2jkr s LYS 343 Ca -0.09 -0.81 -0.18 0.00 -1.00 0.00 0.00 55.97 53.89 2jkr s LYS 343 Cb -0.06 -1.15 -0.07 0.00 -2.06 0.00 0.00 37.83 34.49 2jkr s LYS 343 CO -0.00 0.29 0.61 -0.47 0.10 0.00 0.00 175.35 175.88 2jkr s TYR 344 N -0.80 3.73 -0.49 1.78 5.04 -1.26 -0.71 117.35 124.63 2jkr s TYR 344 Ca 0.04 1.27 0.06 0.00 -2.44 0.00 0.00 57.07 55.99 2jkr s TYR 344 Cb -0.08 -2.51 0.21 0.00 0.35 0.00 0.00 41.96 39.93 2jkr s TYR 344 CO 0.01 0.48 0.49 1.63 -1.34 0.00 0.00 175.55 176.83 2jkr n LYS 345 N 1.24 0.99 0.23 4.97 5.02 -0.47 -4.88 118.16 125.26 2jkr n LYS 345 Ca -0.07 -3.63 0.12 0.00 -2.02 0.00 0.00 58.31 52.71 2jkr n LYS 345 Cb 0.51 -1.70 0.72 0.00 -0.02 0.00 0.00 35.03 34.54 2jkr n LYS 345 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jkr h ALA 346 N 4.80 1.95 -0.39 7.82 0.00 -1.95 0.67 119.26 132.16 2jkr h ALA 346 Ca 0.17 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.15 2jkr h ALA 346 Cb 0.84 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.56 2jkr h ALA 346 CO 0.53 -0.12 -0.12 0.43 0.00 0.00 0.00 179.25 179.97 2jkr n SER 347 N -4.30 -0.18 -1.36 0.00 7.64 -1.26 -1.96 113.62 112.21 2jkr n SER 347 Ca -0.01 0.67 0.04 0.00 1.01 0.00 0.00 58.87 60.58 2jkr n SER 347 Cb 0.19 -0.18 0.07 0.00 -1.01 0.00 0.00 64.21 63.27 2jkr n SER 347 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2jkr n GLU 348 N -4.61 0.51 -3.71 1.43 0.28 0.21 -5.06 120.64 109.69 2jkr n GLU 348 Ca 0.05 -2.41 -0.29 0.00 -0.16 0.00 0.00 57.16 54.35 2jkr n GLU 348 Cb 0.18 -0.49 0.03 0.00 1.43 0.00 0.00 31.44 32.59 2jkr n GLU 348 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2jkr n ASN 349 N 0.05 -4.11 -3.58 -1.84 3.02 0.23 -5.00 115.26 104.02 2jkr n ASN 349 Ca 0.10 -0.98 -0.06 0.00 -0.03 0.00 0.00 54.58 53.60 2jkr n ASN 349 Cb 1.02 -3.48 -0.03 0.00 -0.61 0.00 0.00 39.78 36.68 2jkr n ASN 349 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jkr s ALA 350 N -3.56 -1.99 0.05 5.41 0.00 -1.21 -2.83 121.76 117.62 2jkr s ALA 350 Ca 0.35 1.52 -0.30 0.00 0.00 0.00 0.00 51.96 53.53 2jkr s ALA 350 Cb -0.12 -0.36 -0.04 0.00 0.00 0.00 0.00 23.12 22.59 2jkr s ALA 350 CO 0.86 -0.49 0.95 0.42 0.00 0.00 0.00 175.76 177.50 2jkr s ILE 351 N -2.02 4.71 -0.33 0.00 1.01 0.21 -1.36 121.20 123.41 2jkr s ILE 351 Ca 0.06 2.03 0.02 0.00 0.00 0.00 0.00 60.65 62.75 2jkr s ILE 351 Cb -0.01 -4.30 0.09 0.00 0.01 0.00 0.00 42.46 38.25 2jkr s ILE 351 CO -0.04 0.24 0.04 -0.69 0.00 0.00 0.00 174.94 174.49 2jkr s VAL 352 N 0.51 2.55 -0.23 2.92 1.01 0.11 -1.71 120.40 125.56 2jkr s VAL 352 Ca 0.49 -2.03 -0.18 0.00 0.00 0.00 0.00 61.98 60.25 2jkr s VAL 352 Cb -0.22 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 2jkr s VAL 352 CO 0.28 -0.44 0.53 0.86 0.00 0.00 0.00 175.10 176.33 2jkr s TRP 353 N 1.03 3.32 -0.13 5.22 -0.00 -0.18 -2.37 118.94 125.84 2jkr s TRP 353 Ca 0.04 0.73 -0.01 0.00 -0.00 0.00 0.00 56.10 56.86 2jkr s TRP 353 Cb -0.20 -2.71 -0.02 0.00 -0.00 0.00 0.00 33.47 30.54 2jkr s TRP 353 CO -0.06 -0.19 -0.08 0.15 -0.00 0.00 0.00 176.95 176.77 2jkr s LYS 354 N 1.97 3.37 -0.06 5.86 1.02 -0.63 -0.02 119.74 131.25 2jkr s LYS 354 Ca 0.23 -0.59 0.03 0.00 0.02 0.00 0.00 55.97 55.67 2jkr s LYS 354 Cb -0.15 -2.74 -0.02 0.00 -0.52 0.00 0.00 37.83 34.39 2jkr s LYS 354 CO 0.09 0.32 -0.14 0.42 -0.92 0.00 0.00 175.35 175.13 2jkr s ILE 355 N 0.10 3.08 0.06 2.17 -1.09 0.51 -2.55 121.20 123.49 2jkr s ILE 355 Ca -0.03 -0.71 -0.14 0.00 -2.23 0.00 0.00 60.65 57.55 2jkr s ILE 355 Cb -0.14 -2.22 -0.28 0.00 -1.58 0.00 0.00 42.46 38.24 2jkr s ILE 355 CO 0.04 0.58 1.12 0.50 -1.23 0.00 0.00 174.94 175.95 2jkr h LYS 356 N 5.56 0.61 -1.56 2.79 1.63 -1.96 -2.36 116.57 121.27 2jkr h LYS 356 Ca -0.43 -0.80 0.07 0.00 -0.85 0.00 0.00 60.65 58.64 2jkr h LYS 356 Cb 1.16 0.26 -0.26 0.00 -0.60 0.00 0.00 32.23 32.79 2jkr h LYS 356 CO 0.51 1.36 0.50 -0.98 -3.45 0.00 0.00 179.45 177.39 2jkr s ARG 357 N -3.01 0.50 -0.14 1.90 1.70 -1.26 -3.18 118.95 115.45 2jkr s ARG 357 Ca -0.09 0.47 -0.13 0.00 -0.47 0.00 0.00 55.73 55.52 2jkr s ARG 357 Cb 0.06 0.24 0.04 0.00 -0.57 0.00 0.00 34.95 34.72 2jkr s ARG 357 CO 0.93 -0.08 0.38 0.00 -1.08 0.00 0.00 175.30 175.44 2jkr s MET 358 N -0.06 0.43 0.79 3.89 0.23 -1.09 -5.02 119.30 118.47 2jkr s MET 358 Ca 0.02 0.55 -0.10 0.00 -1.03 0.00 0.00 55.69 55.13 2jkr s MET 358 Cb -0.04 0.19 0.10 0.00 -1.53 0.00 0.00 34.83 33.55 2jkr s MET 358 CO -0.05 -0.06 1.14 0.00 -2.03 0.00 0.00 175.02 174.01 2jkr s ALA 359 N 0.31 2.82 0.40 3.16 0.00 -1.26 -1.71 121.76 125.48 2jkr s ALA 359 Ca -0.01 -0.91 -0.25 0.00 0.00 0.00 0.00 51.96 50.80 2jkr s ALA 359 Cb -0.03 -2.75 -0.08 0.00 0.00 0.00 0.00 23.12 20.26 2jkr s ALA 359 CO -0.01 -1.66 1.14 0.20 0.00 0.00 0.00 175.76 175.43 2jkr s GLY 360 N -4.62 2.83 -0.64 0.00 0.00 -0.83 -3.46 107.32 100.60 2jkr s GLY 360 Ca 0.64 0.90 0.00 0.00 0.00 0.00 0.00 44.72 46.26 2jkr s GLY 360 CO 0.48 1.40 0.00 1.03 0.00 0.00 0.00 173.10 176.01 2jkr n MET 361 N 0.00 -0.46 -4.14 2.90 2.81 -1.07 -3.96 117.12 113.20 2jkr n MET 361 Ca 0.05 0.63 -0.28 0.00 -1.81 0.00 0.00 57.70 56.28 2jkr n MET 361 Cb 0.47 -4.41 -0.03 0.00 -0.71 0.00 0.00 33.22 28.54 2jkr n MET 361 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 2jkr s LYS 362 N -2.95 2.24 0.13 0.03 2.20 -1.22 -4.99 119.74 115.18 2jkr s LYS 362 Ca 0.00 -2.10 -0.06 0.00 -0.36 0.00 0.00 55.97 53.45 2jkr s LYS 362 Cb 0.00 -1.94 -0.02 0.00 -1.51 0.00 0.00 37.83 34.37 2jkr s LYS 362 CO 0.00 -0.49 0.18 -1.21 -0.36 0.00 0.00 175.35 173.47 2jkr s GLU 363 N -4.13 0.99 0.23 4.03 2.02 -1.26 -2.05 118.70 118.52 2jkr s GLU 363 Ca 0.27 -1.20 -0.15 0.00 0.02 0.00 0.00 54.97 53.91 2jkr s GLU 363 Cb -0.01 0.32 0.01 0.00 0.10 0.00 0.00 34.13 34.56 2jkr s GLU 363 CO 0.16 -0.32 0.52 -1.12 0.02 0.00 0.00 175.26 174.52 2jkr s SER 364 N -2.96 -0.16 -0.00 -0.19 0.01 -0.59 -4.98 113.70 104.82 2jkr s SER 364 Ca 0.15 -0.74 -0.10 0.00 1.31 0.00 0.00 55.95 56.57 2jkr s SER 364 Cb 0.05 0.60 0.01 0.00 0.21 0.00 0.00 66.02 66.89 2jkr s SER 364 CO -0.03 -1.14 0.21 -1.58 0.41 0.00 0.00 173.24 171.11 2jkr s GLN 365 N -3.96 0.56 0.01 12.44 0.74 -1.26 0.08 119.66 128.27 2jkr s GLN 365 Ca 0.16 -0.32 -0.03 0.00 0.05 0.00 0.00 55.36 55.22 2jkr s GLN 365 Cb -0.02 0.24 -0.01 0.00 1.10 0.00 0.00 33.01 34.32 2jkr s GLN 365 CO 0.05 -0.14 0.04 -1.50 -0.55 0.00 0.00 175.29 173.18 2jkr s ILE 366 N -1.38 0.10 -0.17 -2.34 2.07 0.05 -2.83 121.20 116.69 2jkr s ILE 366 Ca -0.14 -0.79 -0.04 0.00 -1.41 0.00 0.00 60.65 58.27 2jkr s ILE 366 Cb -0.07 -0.32 0.06 0.00 0.13 0.00 0.00 42.46 42.27 2jkr s ILE 366 CO 0.03 -0.43 0.07 -0.44 -1.91 0.00 0.00 174.94 172.26 2jkr s SER 367 N -1.36 2.44 -0.09 4.50 0.01 -1.12 -1.03 113.70 117.05 2jkr s SER 367 Ca -0.15 -0.64 -0.03 0.00 1.31 0.00 0.00 55.95 56.44 2jkr s SER 367 Cb -0.09 -0.33 -0.04 0.00 0.21 0.00 0.00 66.02 65.78 2jkr s SER 367 CO -0.00 -0.33 0.04 0.00 0.41 0.00 0.00 173.24 173.36 2jkr s ALA 368 N 2.07 3.45 -0.13 1.44 0.00 0.82 -0.56 121.76 128.85 2jkr s ALA 368 Ca 0.01 -0.77 -0.02 0.00 0.00 0.00 0.00 51.96 51.18 2jkr s ALA 368 Cb -0.16 -1.60 -0.02 0.00 0.00 0.00 0.00 23.12 21.33 2jkr s ALA 368 CO -0.09 0.60 -0.07 -1.21 0.00 0.00 0.00 175.76 175.00 2jkr s GLU 369 N -0.99 3.36 -0.26 0.00 2.02 0.15 -0.92 118.70 122.05 2jkr s GLU 369 Ca 0.14 -0.57 0.00 0.00 0.02 0.00 0.00 54.97 54.57 2jkr s GLU 369 Cb -0.12 -2.75 0.07 0.00 0.10 0.00 0.00 34.13 31.43 2jkr s GLU 369 CO 0.04 0.34 0.01 0.42 0.02 0.00 0.00 175.26 176.09 2jkr s ILE 370 N 0.06 1.33 0.16 -1.63 1.01 -0.51 -0.93 121.20 120.69 2jkr s ILE 370 Ca -0.02 -1.31 -0.30 0.00 0.00 0.00 0.00 60.65 59.02 2jkr s ILE 370 Cb -0.14 -1.77 -0.08 0.00 0.01 0.00 0.00 42.46 40.48 2jkr s ILE 370 CO 0.03 -0.31 1.23 -1.61 0.00 0.00 0.00 174.94 174.28 2jkr s GLU 371 N 1.45 4.45 -0.06 2.79 8.01 0.18 -1.95 118.70 133.57 2jkr s GLU 371 Ca 0.00 1.90 0.03 0.00 0.01 0.00 0.00 54.97 56.91 2jkr s GLU 371 Cb -0.18 -3.25 -0.03 0.00 -4.31 0.00 0.00 34.13 26.36 2jkr s GLU 371 CO -0.11 -0.16 -0.13 -0.51 0.01 0.00 0.00 175.26 174.36 2jkr s LEU 372 N 0.08 2.80 0.41 1.80 1.43 0.22 -0.69 118.68 124.72 2jkr s LEU 372 Ca 0.55 -0.19 -0.27 0.00 -1.03 0.00 0.00 54.13 53.20 2jkr s LEU 372 Cb -0.33 -1.58 -0.09 0.00 0.03 0.00 0.00 46.19 44.22 2jkr s LEU 372 CO 0.35 0.33 1.42 -0.76 0.23 0.00 0.00 176.35 177.92 2jkr s LEU 373 N -0.61 4.23 0.04 1.79 1.43 0.63 -4.79 118.68 121.41 2jkr s LEU 373 Ca 0.09 2.90 -0.09 0.00 -1.03 0.00 0.00 54.13 56.01 2jkr s LEU 373 Cb -0.11 -3.81 -0.02 0.00 0.03 0.00 0.00 46.19 42.27 2jkr s LEU 373 CO 0.01 -0.97 1.04 -2.65 0.23 0.00 0.00 176.35 174.02 2jkr n PRO 374 N 0.16 -0.12 -1.19 1.29 -0.02 -1.26 -4.95 135.00 128.91 2jkr n PRO 374 Ca 0.03 1.04 0.15 0.00 -2.02 0.00 0.00 63.50 62.70 2jkr n PRO 374 Cb 0.41 -1.54 -0.05 0.00 -0.02 0.00 0.00 33.50 32.30 2jkr n PRO 374 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 2jkr n THR 375 N -3.59 0.00 -0.08 3.45 5.66 -1.26 -4.79 114.28 113.67 2jkr n THR 375 Ca 0.01 0.30 -0.08 0.00 -3.05 0.00 0.00 64.05 61.22 2jkr n THR 375 Cb 0.07 -0.70 -0.12 0.00 -1.55 0.00 0.00 70.33 68.03 2jkr n THR 375 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2jkr n ASN 376 N -3.91 1.16 0.00 1.09 5.15 -1.26 -5.12 115.26 112.37 2jkr n ASN 376 Ca -0.02 -0.01 0.00 0.00 -0.60 0.00 0.00 54.58 53.95 2jkr n ASN 376 Cb 0.55 0.79 0.00 0.00 -0.53 0.00 0.00 39.78 40.59 2jkr n ASN 376 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 2jkr n ASP 377 N -2.64 0.00 0.00 1.20 5.75 -1.26 -5.03 116.55 114.57 2jkr n ASP 377 Ca -0.27 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.51 2jkr n ASP 377 Cb 1.01 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.10 2jkr n ASP 377 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2jkr n LYS 378 N 0.00 0.00 0.41 0.11 4.76 -1.26 -4.81 118.16 117.38 2jkr n LYS 378 Ca 0.00 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.28 2jkr n LYS 378 Cb 0.00 -3.78 -0.08 0.00 -1.84 0.00 0.00 35.03 29.33 2jkr n LYS 378 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 2jkr h LYS 379 N 0.36 -1.03 0.00 1.97 3.64 -2.03 -3.44 116.57 116.05 2jkr h LYS 379 Ca 0.00 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2jkr h LYS 379 Cb 0.00 0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 2jkr h LYS 379 CO 0.00 -0.68 0.00 1.63 -2.27 0.00 0.00 179.45 178.13 2jkr n LYS 380 N -5.16 0.00 0.00 1.90 5.02 -1.26 -4.67 118.16 113.99 2jkr n LYS 380 Ca -0.13 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.16 2jkr n LYS 380 Cb 0.42 -2.43 0.00 0.00 -0.02 0.00 0.00 35.03 33.00 2jkr n LYS 380 CO 0.00 0.00 0.00 1.87 -0.52 0.00 0.00 177.40 178.75 2jkr n TRP 381 N -0.37 0.00 -0.94 2.13 -0.00 -1.26 -4.53 117.44 112.47 2jkr n TRP 381 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 2jkr n TRP 381 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 2jkr n TRP 381 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2jkr n ALA 382 N 0.00 0.00 -0.04 5.87 0.00 -1.26 -4.54 120.51 120.54 2jkr n ALA 382 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2jkr n ALA 382 Cb 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.15 2jkr n ALA 382 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2jkr n ARG 383 N 0.28 0.00 -0.62 0.00 1.85 -1.26 -4.85 116.66 112.05 2jkr n ARG 383 Ca 0.00 0.00 -0.31 0.00 -1.00 0.00 0.00 57.85 56.54 2jkr n ARG 383 Cb 0.39 0.00 0.19 0.00 -1.05 0.00 0.00 32.46 32.00 2jkr n ARG 383 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 2jkr n PRO 384 N 0.25 -1.52 -1.69 2.89 -0.04 -1.26 -4.70 135.00 128.93 2jkr n PRO 384 Ca 0.00 -0.41 -0.30 0.00 -0.04 0.00 0.00 63.50 62.75 2jkr n PRO 384 Cb 0.00 -2.00 0.06 0.00 -0.04 0.00 0.00 33.50 31.52 2jkr n PRO 384 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 2jkr s PRO 385 N -4.00 2.64 -0.41 0.54 0.02 -1.26 -4.56 135.00 127.97 2jkr s PRO 385 Ca 0.62 0.66 -0.29 0.00 0.02 0.00 0.00 61.00 62.01 2jkr s PRO 385 Cb -0.20 -1.98 0.02 0.00 0.02 0.00 0.00 34.50 32.36 2jkr s PRO 385 CO 0.65 -1.23 1.21 0.42 -0.33 0.00 0.00 177.00 177.71 2jkr s ILE 386 N -3.20 4.19 0.22 2.83 1.01 0.80 -4.60 121.20 122.45 2jkr s ILE 386 Ca 0.59 1.27 -0.18 0.00 0.00 0.00 0.00 60.65 62.33 2jkr s ILE 386 Cb -0.13 -4.41 -0.08 0.00 0.01 0.00 0.00 42.46 37.85 2jkr s ILE 386 CO 0.54 -0.77 0.68 -0.94 0.00 0.00 0.00 174.94 174.45 2jkr s SER 387 N 2.66 6.96 0.23 3.58 1.04 -1.19 0.48 113.70 127.46 2jkr s SER 387 Ca 0.52 1.31 0.09 0.00 0.48 0.00 0.00 55.95 58.35 2jkr s SER 387 Cb -0.11 -2.38 -0.04 0.00 0.10 0.00 0.00 66.02 63.59 2jkr s SER 387 CO 0.27 0.01 -0.04 -0.04 0.98 0.00 0.00 173.24 174.42 2jkr s MET 388 N -2.13 2.20 -0.03 4.02 -1.94 -0.20 -1.22 119.30 120.01 2jkr s MET 388 Ca 0.43 -1.35 0.03 0.00 -1.71 0.00 0.00 55.69 53.09 2jkr s MET 388 Cb -0.15 -2.17 0.00 0.00 2.01 0.00 0.00 34.83 34.52 2jkr s MET 388 CO 0.20 0.40 -0.10 -0.80 -0.01 0.00 0.00 175.02 174.71 2jkr s ASN 389 N -3.30 1.35 0.27 3.03 -0.87 -0.64 -4.22 114.94 110.56 2jkr s ASN 389 Ca 0.29 -0.21 -0.21 0.00 -1.57 0.00 0.00 52.86 51.16 2jkr s ASN 389 Cb -0.07 -0.38 0.05 0.00 -0.02 0.00 0.00 41.25 40.82 2jkr s ASN 389 CO 0.18 0.07 0.84 0.72 -2.57 0.00 0.00 177.10 176.35 2jkr s PHE 390 N 0.21 -0.05 0.01 2.20 -0.12 -1.26 -1.20 117.98 117.77 2jkr s PHE 390 Ca -0.04 -0.43 0.01 0.00 -0.05 0.00 0.00 56.93 56.43 2jkr s PHE 390 Cb -0.09 0.73 -0.01 0.00 -0.63 0.00 0.00 43.02 43.02 2jkr s PHE 390 CO 0.01 -1.19 -0.04 -2.00 -0.05 0.00 0.00 175.22 171.95 2jkr s GLU 391 N -3.06 0.32 -0.01 1.99 2.12 -0.98 -1.90 118.70 117.18 2jkr s GLU 391 Ca 0.14 -0.28 -0.06 0.00 0.36 0.00 0.00 54.97 55.13 2jkr s GLU 391 Cb -0.04 -0.23 0.00 0.00 0.26 0.00 0.00 34.13 34.12 2jkr s GLU 391 CO 0.07 0.05 0.11 0.14 -0.54 0.00 0.00 175.26 175.10 2jkr s VAL 392 N -0.45 0.07 -0.03 3.70 -7.23 0.85 -1.47 120.40 115.84 2jkr s VAL 392 Ca -0.02 -0.56 0.00 0.00 -1.81 0.00 0.00 61.98 59.59 2jkr s VAL 392 Cb -0.04 -0.35 0.03 0.00 0.56 0.00 0.00 36.38 36.58 2jkr s VAL 392 CO -0.00 -0.31 1.32 -2.65 -0.31 0.00 0.00 175.10 173.16 2jkr n PRO 393 N 1.84 1.07 -3.72 4.82 -0.02 -1.26 0.68 135.00 138.42 2jkr n PRO 393 Ca -0.20 -0.15 -0.10 0.00 -2.02 0.00 0.00 63.50 61.03 2jkr n PRO 393 Cb 0.56 -1.06 -0.05 0.00 -0.02 0.00 0.00 33.50 32.94 2jkr n PRO 393 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 2jkr s PHE 394 N -0.17 -0.09 -0.35 6.00 -0.12 -1.26 -4.64 117.98 117.35 2jkr s PHE 394 Ca 0.03 -0.25 -0.18 0.00 -0.05 0.00 0.00 56.93 56.48 2jkr s PHE 394 Cb 0.02 0.25 -0.00 0.00 -0.63 0.00 0.00 43.02 42.66 2jkr s PHE 394 CO 0.00 -0.77 0.50 0.00 -0.05 0.00 0.00 175.22 174.91 2jkr s ALA 395 N -3.85 3.47 0.64 1.99 0.00 -1.26 -3.77 121.76 118.98 2jkr s ALA 395 Ca 0.07 -1.05 0.34 0.00 0.00 0.00 0.00 51.96 51.31 2jkr s ALA 395 Cb 0.01 -3.01 1.86 0.00 0.00 0.00 0.00 23.12 21.98 2jkr s ALA 395 CO -0.08 -1.24 2.09 -1.35 0.00 0.00 0.00 175.76 175.19 2jkr h PRO 396 N 8.48 0.00 0.00 0.00 0.11 -1.91 0.14 132.00 138.81 2jkr h PRO 396 Ca -0.28 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.81 2jkr h PRO 396 Cb 1.12 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 2jkr h PRO 396 CO 0.77 0.00 -0.11 0.66 -0.21 0.00 0.00 178.00 179.11 2jkr h SER 397 N 0.00 0.00 0.00 -2.05 4.64 -1.91 0.76 113.55 114.99 2jkr h SER 397 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2jkr h SER 397 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 2jkr h SER 397 CO -0.00 0.11 0.00 0.61 -0.87 0.00 0.00 176.83 176.68 2jkr n GLY 398 N -0.97 2.56 3.50 -0.77 0.00 0.48 -4.64 105.19 105.34 2jkr n GLY 398 Ca -0.02 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.54 2jkr n GLY 398 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2jkr n LEU 399 N 0.00 0.34 -3.66 0.99 7.94 -1.25 -4.94 117.00 116.41 2jkr n LEU 399 Ca 0.00 1.13 -0.15 0.00 -1.11 0.00 0.00 56.01 55.88 2jkr n LEU 399 Cb 0.00 -1.13 -0.14 0.00 0.53 0.00 0.00 43.42 42.68 2jkr n LEU 399 CO 0.00 -2.21 -0.18 -0.54 -1.11 0.00 0.00 177.39 173.35 2jkr s LYS 400 N -1.32 0.09 -0.08 1.96 1.02 -1.26 -4.32 119.74 115.83 2jkr s LYS 400 Ca 0.61 0.66 -0.30 0.00 0.02 0.00 0.00 55.97 56.96 2jkr s LYS 400 Cb -0.79 -0.15 -0.04 0.00 -0.52 0.00 0.00 37.83 36.33 2jkr s LYS 400 CO 0.58 -0.30 1.50 0.08 -0.92 0.00 0.00 175.35 176.30 2jkr s VAL 401 N 2.36 3.79 -0.04 3.17 1.01 -1.26 -2.51 120.40 126.92 2jkr s VAL 401 Ca 0.02 1.00 0.18 0.00 0.00 0.00 0.00 61.98 63.19 2jkr s VAL 401 Cb -0.12 -3.65 -0.28 0.00 0.00 0.00 0.00 36.38 32.33 2jkr s VAL 401 CO -0.07 -0.07 0.37 0.54 0.00 0.00 0.00 175.10 175.87 2jkr n ARG 402 N 6.69 0.62 -3.62 2.72 5.12 -0.42 -4.96 116.66 122.81 2jkr n ARG 402 Ca 0.16 -0.15 -0.04 0.00 -1.93 0.00 0.00 57.85 55.89 2jkr n ARG 402 Cb 0.43 -1.44 -0.03 0.00 -1.16 0.00 0.00 32.46 30.26 2jkr n ARG 402 CO 0.00 0.00 0.00 1.52 -1.93 0.00 0.00 177.63 177.22 2jkr s TYR 403 N -3.20 -0.09 -0.32 -1.55 -0.85 -0.98 -4.98 117.35 105.37 2jkr s TYR 403 Ca -0.07 0.11 0.02 0.00 -0.52 0.00 0.00 57.07 56.61 2jkr s TYR 403 Cb 0.11 0.50 0.15 0.00 0.38 0.00 0.00 41.96 43.10 2jkr s TYR 403 CO 0.76 -0.11 0.38 -1.17 -1.52 0.00 0.00 175.55 173.89 2jkr s LEU 404 N -1.59 -0.47 -0.11 -3.49 2.96 -1.26 -1.69 118.68 113.03 2jkr s LEU 404 Ca 0.09 -0.87 -0.16 0.00 -0.22 0.00 0.00 54.13 52.97 2jkr s LEU 404 Cb -0.01 0.84 -0.05 0.00 0.50 0.00 0.00 46.19 47.48 2jkr s LEU 404 CO -0.05 -0.32 0.40 -0.75 -1.32 0.00 0.00 176.35 174.31 2jkr s LYS 405 N 2.12 4.23 -0.21 1.98 2.20 -0.53 -4.91 119.74 124.62 2jkr s LYS 405 Ca 0.12 0.32 -0.07 0.00 -0.36 0.00 0.00 55.97 55.98 2jkr s LYS 405 Cb -0.13 -3.39 -0.03 0.00 -1.51 0.00 0.00 37.83 32.76 2jkr s LYS 405 CO -0.21 0.28 0.05 0.08 -0.36 0.00 0.00 175.35 175.19 2jkr s VAL 406 N 0.28 4.43 -0.18 4.02 1.01 -1.26 -0.87 120.40 127.83 2jkr s VAL 406 Ca 0.22 -0.15 -0.01 0.00 0.00 0.00 0.00 61.98 62.05 2jkr s VAL 406 Cb -0.15 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.20 2jkr s VAL 406 CO 0.09 0.40 -0.13 0.12 0.00 0.00 0.00 175.10 175.57 2jkr s PHE 407 N 1.02 2.83 -0.18 5.22 2.19 -0.77 -4.24 117.98 124.05 2jkr s PHE 407 Ca 0.04 -1.11 -0.05 0.00 0.33 0.00 0.00 56.93 56.14 2jkr s PHE 407 Cb -0.14 -1.95 0.07 0.00 -1.31 0.00 0.00 43.02 39.69 2jkr s PHE 407 CO 0.03 -0.55 0.13 -2.00 1.83 0.00 0.00 175.22 174.66 2jkr s GLU 408 N 1.07 0.10 -0.04 10.12 2.56 -1.26 -1.34 118.70 129.90 2jkr s GLU 408 Ca -0.00 0.02 0.12 0.00 0.00 0.00 0.00 54.97 55.11 2jkr s GLU 408 Cb -0.15 -1.60 -0.23 0.00 2.00 0.00 0.00 34.13 34.16 2jkr s GLU 408 CO -0.03 -0.66 0.67 -2.30 -0.56 0.00 0.00 175.26 172.38 2jkr n PRO 409 N 5.29 0.63 0.10 4.30 -0.02 -1.26 -0.62 135.00 143.42 2jkr n PRO 409 Ca -0.06 0.30 -0.11 0.00 -2.02 0.00 0.00 63.50 61.61 2jkr n PRO 409 Cb 0.49 -1.80 -0.08 0.00 -0.02 0.00 0.00 33.50 32.10 2jkr n PRO 409 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2jkr h LYS 410 N 0.00 -0.30 0.00 -0.52 6.56 -1.97 -3.29 116.57 117.06 2jkr h LYS 410 Ca -0.28 0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.33 2jkr h LYS 410 Cb 2.01 0.07 0.00 0.00 -0.57 0.00 0.00 32.23 33.74 2jkr h LYS 410 CO 0.08 0.08 -0.07 1.28 -2.06 0.00 0.00 179.45 178.76 2jkr n LEU 411 N -5.01 0.34 -2.56 2.94 4.77 -1.26 -4.94 117.00 111.28 2jkr n LEU 411 Ca -0.08 0.48 -0.03 0.00 -0.03 0.00 0.00 56.01 56.34 2jkr n LEU 411 Cb 0.26 -0.41 -0.01 0.00 -2.33 0.00 0.00 43.42 40.94 2jkr n LEU 411 CO 0.27 -0.05 -0.05 -0.46 -1.33 0.00 0.00 177.39 175.77 2jkr n ASN 412 N -1.78 0.06 -4.77 -1.43 6.94 0.21 -4.90 115.26 109.58 2jkr n ASN 412 Ca 0.06 -0.13 -0.38 0.00 -0.02 0.00 0.00 54.58 54.11 2jkr n ASN 412 Cb 0.37 -0.17 -0.05 0.00 -2.36 0.00 0.00 39.78 37.58 2jkr n ASN 412 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 2jkr s TYR 413 N -2.86 3.53 0.22 -2.53 -0.85 -1.25 -4.99 117.35 108.63 2jkr s TYR 413 Ca 0.01 1.72 -0.31 0.00 -0.52 0.00 0.00 57.07 57.97 2jkr s TYR 413 Cb -0.01 -3.09 -0.11 0.00 0.38 0.00 0.00 41.96 39.13 2jkr s TYR 413 CO 0.11 -0.26 1.64 0.45 -1.52 0.00 0.00 175.55 175.97 2jkr s SER 414 N -1.40 6.43 0.56 -0.18 0.15 -1.26 -4.70 113.70 113.30 2jkr s SER 414 Ca 0.51 2.83 0.28 0.00 0.70 0.00 0.00 55.95 60.28 2jkr s SER 414 Cb -0.23 -2.61 1.47 0.00 -1.71 0.00 0.00 66.02 62.94 2jkr s SER 414 CO 0.30 -0.92 1.94 -0.78 1.20 0.00 0.00 173.24 174.99 2jkr h ASP 415 N 6.18 0.00 1.41 5.45 -0.00 -1.94 0.30 116.42 127.82 2jkr h ASP 415 Ca -0.44 0.00 -0.01 0.00 -0.00 0.00 0.00 57.03 56.58 2jkr h ASP 415 Cb 1.21 0.00 -0.00 0.00 -0.00 0.00 0.00 39.33 40.54 2jkr h ASP 415 CO 0.90 0.00 -0.04 0.45 -0.00 0.00 0.00 179.24 180.54 2jkr h HIS 416 N 0.00 0.00 -0.02 0.28 3.86 -1.91 -3.00 115.15 114.36 2jkr h HIS 416 Ca 0.26 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.47 2jkr h HIS 416 Cb 1.17 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.64 2jkr h HIS 416 CO 0.00 0.04 -0.12 -0.25 0.86 0.00 0.00 177.93 178.46 2jkr n ASP 417 N -3.13 1.64 -4.63 2.45 8.00 0.09 -4.81 116.55 116.17 2jkr n ASP 417 Ca 0.02 -1.40 -0.43 0.00 0.71 0.00 0.00 54.79 53.69 2jkr n ASP 417 Cb 0.42 0.08 -0.02 0.00 -0.02 0.00 0.00 41.12 41.58 2jkr n ASP 417 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2jkr s VAL 418 N -2.19 4.33 0.13 2.53 1.01 -1.14 -4.59 120.40 120.48 2jkr s VAL 418 Ca 0.31 1.52 -0.31 0.00 0.00 0.00 0.00 61.98 63.50 2jkr s VAL 418 Cb 0.20 -4.29 -0.08 0.00 0.00 0.00 0.00 36.38 32.22 2jkr s VAL 418 CO 0.40 -0.48 1.33 -0.63 0.00 0.00 0.00 175.10 175.73 2jkr s ILE 419 N 3.98 3.40 -0.06 2.22 -1.09 0.14 -4.92 121.20 124.87 2jkr s ILE 419 Ca 0.51 1.04 -0.01 0.00 -2.23 0.00 0.00 60.65 59.97 2jkr s ILE 419 Cb -0.14 -3.67 0.03 0.00 -1.58 0.00 0.00 42.46 37.09 2jkr s ILE 419 CO 0.19 0.10 -0.00 -0.54 -1.23 0.00 0.00 174.94 173.46 2jkr s LYS 420 N 0.76 0.54 -0.00 2.79 1.02 -1.26 -0.62 119.74 122.97 2jkr s LYS 420 Ca 0.61 0.08 0.03 0.00 0.02 0.00 0.00 55.97 56.71 2jkr s LYS 420 Cb -0.35 -0.82 -0.01 0.00 -0.52 0.00 0.00 37.83 36.13 2jkr s LYS 420 CO 0.32 -0.23 -0.08 1.67 -0.92 0.00 0.00 175.35 176.11 2jkr s TRP 421 N 1.61 0.73 0.01 3.18 -2.14 -1.05 -5.03 118.94 116.24 2jkr s TRP 421 Ca -0.01 -0.15 0.05 0.00 2.66 0.00 0.00 56.10 58.65 2jkr s TRP 421 Cb -0.13 -0.47 -0.01 0.00 -3.10 0.00 0.00 33.47 29.76 2jkr s TRP 421 CO -0.03 -0.01 -0.14 0.54 -2.66 0.00 0.00 176.95 174.64 2jkr s VAL 422 N -0.23 1.14 0.05 -0.66 0.11 -1.26 -0.84 120.40 118.71 2jkr s VAL 422 Ca 0.03 -0.75 0.05 0.00 -2.93 0.00 0.00 61.98 58.37 2jkr s VAL 422 Cb -0.03 -0.98 -0.02 0.00 -1.53 0.00 0.00 36.38 33.81 2jkr s VAL 422 CO -0.00 0.22 -0.14 0.00 -3.33 0.00 0.00 175.10 171.85 2jkr s ARG 423 N -0.62 0.85 -0.22 1.54 1.70 -0.60 -4.96 118.95 116.63 2jkr s ARG 423 Ca 0.04 -0.82 -0.07 0.00 -0.47 0.00 0.00 55.73 54.41 2jkr s ARG 423 Cb -0.06 -0.84 -0.03 0.00 -0.57 0.00 0.00 34.95 33.44 2jkr s ARG 423 CO 0.00 0.20 0.05 0.71 -1.08 0.00 0.00 175.30 175.18 2jkr s TYR 424 N -1.04 3.10 -0.40 5.89 1.51 -1.26 -0.41 117.35 124.74 2jkr s TYR 424 Ca -0.01 -0.34 -0.05 0.00 -1.01 0.00 0.00 57.07 55.67 2jkr s TYR 424 Cb -0.09 -2.16 0.09 0.00 -0.11 0.00 0.00 41.96 39.70 2jkr s TYR 424 CO 0.02 -0.22 0.20 0.42 -1.11 0.00 0.00 175.55 174.85 2jkr s ILE 425 N 1.19 3.58 -0.49 2.71 -1.09 0.03 -3.99 121.20 123.13 2jkr s ILE 425 Ca 0.04 -1.76 -0.14 0.00 -2.23 0.00 0.00 60.65 56.56 2jkr s ILE 425 Cb -0.14 -3.32 0.11 0.00 -1.58 0.00 0.00 42.46 37.53 2jkr s ILE 425 CO 0.03 -0.57 0.42 -0.83 -1.23 0.00 0.00 174.94 172.75 2jkr s GLY 426 N 1.90 2.05 0.33 6.18 0.00 0.21 -1.20 107.32 116.80 2jkr s GLY 426 Ca 0.05 -2.37 -0.08 0.00 0.00 0.00 0.00 44.72 42.31 2jkr s GLY 426 CO -0.02 1.12 0.65 0.50 0.00 0.00 0.00 173.10 175.35 2jkr s ARG 427 N 1.55 3.74 0.30 2.90 0.52 0.13 -0.10 118.95 127.99 2jkr s ARG 427 Ca 0.04 0.27 -0.29 0.00 -0.52 0.00 0.00 55.73 55.23 2jkr s ARG 427 Cb -0.27 -2.53 -0.10 0.00 0.52 0.00 0.00 34.95 32.57 2jkr s ARG 427 CO 0.03 0.12 1.26 -1.54 0.02 0.00 0.00 175.30 175.20 2jkr s SER 428 N -3.00 6.90 0.00 0.23 1.04 -0.80 -1.49 113.70 116.59 2jkr s SER 428 Ca 0.48 2.55 0.00 0.00 0.48 0.00 0.00 55.95 59.46 2jkr s SER 428 Cb -0.11 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.38 2jkr s SER 428 CO 0.28 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.67 2jkr n GLY 429 N 1.13 0.66 3.50 7.32 0.00 0.62 -4.76 105.19 113.66 2jkr n GLY 429 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 2jkr n GLY 429 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2jkr s ILE 430 N 2.13 4.77 -0.75 -0.61 -4.36 -1.26 -4.94 121.20 116.18 2jkr s ILE 430 Ca 0.00 -0.02 0.03 0.00 -0.26 0.00 0.00 60.65 60.40 2jkr s ILE 430 Cb 0.00 -4.28 0.18 0.00 1.25 0.00 0.00 42.46 39.61 2jkr s ILE 430 CO 0.00 -0.73 0.56 -0.47 0.24 0.00 0.00 174.94 174.54 2jkr s TYR 431 N 2.94 3.64 -0.17 1.37 5.04 -1.26 -2.60 117.35 126.32 2jkr s TYR 431 Ca 0.22 -3.24 -0.07 0.00 -2.44 0.00 0.00 57.07 51.54 2jkr s TYR 431 Cb -0.15 -2.87 -0.04 0.00 0.35 0.00 0.00 41.96 39.25 2jkr s TYR 431 CO 0.17 -0.61 0.07 -1.21 -1.34 0.00 0.00 175.55 172.63 2jkr s GLU 432 N -1.35 3.84 -0.15 4.97 2.02 -0.08 -1.03 118.70 126.93 2jkr s GLU 432 Ca 0.25 -0.31 -0.03 0.00 0.02 0.00 0.00 54.97 54.89 2jkr s GLU 432 Cb -0.07 -3.19 -0.03 0.00 0.10 0.00 0.00 34.13 30.95 2jkr s GLU 432 CO -0.14 0.38 -0.05 0.99 0.02 0.00 0.00 175.26 176.45 2jkr s THR 433 N 0.08 3.77 0.30 3.63 2.01 0.18 -1.61 115.64 124.00 2jkr s THR 433 Ca 0.06 -0.40 -0.29 0.00 0.31 0.00 0.00 61.69 61.37 2jkr s THR 433 Cb -0.12 -2.65 -0.10 0.00 0.01 0.00 0.00 72.50 69.65 2jkr s THR 433 CO 0.00 0.50 1.27 -0.13 -0.69 0.00 0.00 174.62 175.57 2jkr s ARG 434 N 0.35 4.41 0.00 4.92 0.52 0.22 -0.14 118.95 129.23 2jkr s ARG 434 Ca -0.05 2.11 0.25 0.00 -0.52 0.00 0.00 55.73 57.52 2jkr s ARG 434 Cb -0.14 -3.12 0.45 0.00 0.52 0.00 0.00 34.95 32.66 2jkr s ARG 434 CO 0.03 -0.13 1.41 0.00 0.02 0.00 0.00 175.30 176.63