#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 3.31 -0.15 2.02 1.01 -0.76 -4.67 121.20 121.96 2jkr s ILE 2 Ca 0.00 0.37 0.17 0.00 0.00 0.00 0.00 60.65 61.18 2jkr s ILE 2 Cb 0.00 -3.26 -0.24 0.00 0.01 0.00 0.00 42.46 38.96 2jkr s ILE 2 CO 0.00 -0.06 0.26 0.61 0.00 0.00 0.00 174.94 175.75 2jkr n GLY 3 N 4.52 -1.00 3.13 6.18 0.00 0.86 -3.80 105.19 115.08 2jkr n GLY 3 Ca 0.20 -0.25 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 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 -5.35 0.03 -0.07 -0.02 0.00 -0.39 0.18 107.32 101.70 2jkr s GLY 4 Ca -0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 44.72 44.52 2jkr s GLY 4 CO 0.83 -0.26 -0.01 -2.27 0.00 0.00 0.00 173.10 171.39 2jkr s LEU 5 N -1.45 0.70 -0.05 0.66 2.96 0.17 -1.46 118.68 120.21 2jkr s LEU 5 Ca -0.14 -0.11 0.03 0.00 -0.22 0.00 0.00 54.13 53.69 2jkr s LEU 5 Cb -0.07 -0.48 0.01 0.00 0.50 0.00 0.00 46.19 46.15 2jkr s LEU 5 CO 0.01 -0.18 -0.12 -0.36 -1.32 0.00 0.00 176.35 174.39 2jkr s PHE 6 N 1.87 1.29 -0.14 5.38 0.08 0.65 -0.88 117.98 126.23 2jkr s PHE 6 Ca 0.04 -0.41 0.01 0.00 0.12 0.00 0.00 56.93 56.69 2jkr s PHE 6 Cb -0.12 -0.93 0.02 0.00 -0.57 0.00 0.00 43.02 41.41 2jkr s PHE 6 CO -0.05 -0.19 -0.16 0.42 -0.10 0.00 0.00 175.22 175.13 2jkr s ILE 7 N 0.42 1.69 0.21 0.64 1.01 -0.25 0.48 121.20 125.40 2jkr s ILE 7 Ca -0.09 -0.73 0.10 0.00 0.00 0.00 0.00 60.65 59.93 2jkr s ILE 7 Cb -0.13 -1.55 -0.04 0.00 0.01 0.00 0.00 42.46 40.75 2jkr s ILE 7 CO 0.02 0.48 -0.12 -0.31 0.00 0.00 0.00 174.94 175.01 2jkr s TYR 8 N 1.23 2.52 0.79 3.97 1.51 0.13 0.58 117.35 128.08 2jkr s TYR 8 Ca 0.00 -0.27 -0.08 0.00 -1.01 0.00 0.00 57.07 55.71 2jkr s TYR 8 Cb -0.14 -1.19 0.12 0.00 -0.11 0.00 0.00 41.96 40.64 2jkr s TYR 8 CO -0.07 0.56 1.11 0.54 -1.11 0.00 0.00 175.55 176.58 2jkr s ASN 9 N -3.06 4.17 0.26 2.29 6.03 -0.99 -1.14 114.94 122.51 2jkr s ASN 9 Ca 0.26 0.21 -0.04 0.00 -1.03 0.00 0.00 52.86 52.27 2jkr s ASN 9 Cb -0.08 -0.61 0.53 0.00 -3.03 0.00 0.00 41.25 38.07 2jkr s ASN 9 CO 0.15 -2.02 1.65 1.12 -2.03 0.00 0.00 177.10 175.97 2jkr h HIS 10 N -0.92 0.15 -0.00 1.54 2.07 -1.59 0.36 115.15 116.76 2jkr h HIS 10 Ca -0.43 0.05 0.00 0.00 -2.85 0.00 0.00 60.37 57.15 2jkr h HIS 10 Cb 1.28 0.06 -0.00 0.00 2.57 0.00 0.00 27.41 31.32 2jkr h HIS 10 CO -0.25 -0.20 0.05 0.87 -3.07 0.00 0.00 177.93 175.33 2jkr h LYS 11 N 0.17 0.00 0.00 5.12 1.57 -1.93 -3.45 116.57 118.05 2jkr h LYS 11 Ca 0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.24 2jkr h LYS 11 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.16 2jkr h LYS 11 CO -0.63 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 178.66 2jkr n GLY 12 N -1.11 0.63 3.77 3.86 0.00 0.13 -5.05 105.19 107.42 2jkr n GLY 12 Ca -0.03 -0.76 -0.40 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.24 4.53 0.01 1.61 2.02 -1.26 -4.88 118.70 118.49 2jkr s GLU 13 Ca 0.00 1.12 -0.30 0.00 0.02 0.00 0.00 54.97 55.80 2jkr s GLU 13 Cb 0.00 -3.29 -0.05 0.00 0.10 0.00 0.00 34.13 30.89 2jkr s GLU 13 CO 0.00 0.48 1.25 0.08 0.02 0.00 0.00 175.26 177.09 2jkr s VAL 14 N -0.79 4.02 -0.27 2.63 1.01 -1.26 -2.34 120.40 123.39 2jkr s VAL 14 Ca 0.36 1.41 -0.12 0.00 0.00 0.00 0.00 61.98 63.63 2jkr s VAL 14 Cb -0.22 -3.91 -0.12 0.00 0.00 0.00 0.00 36.38 32.13 2jkr s VAL 14 CO 0.25 0.05 -0.34 0.18 0.00 0.00 0.00 175.10 175.24 2jkr n LEU 15 N 4.67 2.04 -4.10 3.92 4.77 0.19 -4.96 117.00 123.54 2jkr n LEU 15 Ca 0.11 0.29 -0.21 0.00 -0.03 0.00 0.00 56.01 56.16 2jkr n LEU 15 Cb 0.46 -0.82 -0.15 0.00 -2.33 0.00 0.00 43.42 40.58 2jkr n LEU 15 CO 0.56 0.61 -0.46 -0.63 -1.33 0.00 0.00 177.39 176.14 2jkr s ILE 16 N -2.50 1.03 -0.17 -0.08 1.01 -1.01 -4.98 121.20 114.49 2jkr s ILE 16 Ca -0.38 -0.61 -0.04 0.00 0.00 0.00 0.00 60.65 59.62 2jkr s ILE 16 Cb 0.14 -0.87 0.08 0.00 0.01 0.00 0.00 42.46 41.82 2jkr s ILE 16 CO 0.49 0.25 0.21 -0.55 0.00 0.00 0.00 174.94 175.34 2jkr s SER 17 N -0.41 1.22 -0.16 3.58 0.15 -1.26 -1.09 113.70 115.73 2jkr s SER 17 Ca 0.05 -0.06 -0.00 0.00 0.70 0.00 0.00 55.95 56.63 2jkr s SER 17 Cb -0.05 0.35 0.04 0.00 -1.71 0.00 0.00 66.02 64.65 2jkr s SER 17 CO -0.00 -0.30 -0.06 -0.13 1.20 0.00 0.00 173.24 173.95 2jkr s ARG 18 N 2.32 1.45 -0.22 5.44 1.81 -0.06 -4.99 118.95 124.70 2jkr s ARG 18 Ca 0.05 -0.48 -0.07 0.00 -1.72 0.00 0.00 55.73 53.51 2jkr s ARG 18 Cb -0.15 -1.95 -0.03 0.00 -0.45 0.00 0.00 34.95 32.37 2jkr s ARG 18 CO -0.10 -0.41 0.06 0.08 -0.68 0.00 0.00 175.30 174.25 2jkr s VAL 19 N 1.64 4.50 -1.50 3.52 1.01 -1.26 0.44 120.40 128.76 2jkr s VAL 19 Ca 0.01 -0.12 0.14 0.00 0.00 0.00 0.00 61.98 62.01 2jkr s VAL 19 Cb -0.15 -3.07 0.06 0.00 0.00 0.00 0.00 36.38 33.22 2jkr s VAL 19 CO -0.08 0.39 0.85 -1.22 0.00 0.00 0.00 175.10 175.05 2jkr n TYR 20 N 4.30 0.00 -3.72 5.22 4.02 0.48 -4.97 117.16 122.50 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 -1.36 0.50 0.53 -0.72 6.06 -1.16 -4.61 118.95 118.18 2jkr s ARG 21 Ca 0.14 0.64 0.21 0.00 -2.50 0.00 0.00 55.73 54.22 2jkr s ARG 21 Cb 0.11 0.21 1.36 0.00 0.06 0.00 0.00 34.95 36.69 2jkr s ARG 21 CO 0.24 -0.08 2.08 -0.44 -2.50 0.00 0.00 175.30 174.61 2jkr h ASP 22 N 5.70 0.00 -1.46 -2.12 3.32 -1.94 -3.12 116.42 116.80 2jkr h ASP 22 Ca -0.28 0.00 0.43 0.00 0.02 0.00 0.00 57.03 57.20 2jkr h ASP 22 Cb 1.18 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.65 2jkr h ASP 22 CO 0.24 0.00 1.03 0.44 -1.72 0.00 0.00 179.24 179.23 2jkr h ASP 23 N 0.00 0.09 0.00 6.45 3.32 -1.96 -3.37 116.42 120.94 2jkr h ASP 23 Ca 0.12 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.20 2jkr h ASP 23 Cb 0.47 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.05 2jkr h ASP 23 CO -0.00 -0.03 0.00 -0.38 -1.72 0.00 0.00 179.24 177.11 2jkr n ILE 24 N -4.23 0.00 -1.39 0.35 2.08 -1.18 -5.01 119.36 109.99 2jkr n ILE 24 Ca 0.34 0.09 0.00 0.00 0.56 0.00 0.00 62.75 63.74 2jkr n ILE 24 Cb 1.51 -0.56 0.00 0.00 -0.75 0.00 0.00 39.64 39.84 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 1.92 -2.40 0.04 7.39 0.00 -1.26 -4.10 105.19 106.77 2jkr n GLY 25 Ca 0.00 -1.61 0.02 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.46 0.03 0.00 1.61 3.00 -1.26 -3.56 116.66 116.02 2jkr n ARG 26 Ca 0.00 0.52 0.00 0.00 -0.00 0.00 0.00 57.85 58.37 2jkr n ARG 26 Cb 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 32.46 30.85 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 -1.66 0.00 -4.56 6.15 3.02 -1.26 -3.92 115.26 113.03 2jkr n ASN 27 Ca -0.00 0.02 -0.28 0.00 -0.03 0.00 0.00 54.58 54.29 2jkr n ASN 27 Cb 0.02 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.14 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 -2.15 1.72 0.00 5.41 0.00 -1.23 -2.23 121.76 123.28 2jkr s ALA 28 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 51.96 50.50 2jkr s ALA 28 Cb 0.00 -4.54 0.00 0.00 0.00 0.00 0.00 23.12 18.58 2jkr s ALA 28 CO 0.00 -4.72 0.00 1.55 0.00 0.00 0.00 175.76 172.59 2jkr n VAL 29 N 7.81 0.00 -0.01 0.00 3.14 -1.26 -4.78 118.33 123.22 2jkr n VAL 29 Ca 0.38 0.00 -0.11 0.00 -2.96 0.00 0.00 64.34 61.65 2jkr n VAL 29 Cb 0.47 0.00 0.02 0.00 -1.06 0.00 0.00 33.84 33.28 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 0.71 -0.30 6.55 3.58 -1.65 -2.65 116.42 122.66 2jkr h ASP 30 Ca 0.00 -0.39 0.07 0.00 0.42 0.00 0.00 57.03 57.12 2jkr h ASP 30 Cb 0.00 -0.21 -0.07 0.00 1.72 0.00 0.00 39.33 40.78 2jkr h ASP 30 CO 0.00 1.13 -0.15 0.00 -2.88 0.00 0.00 179.24 177.34 2jkr h ALA 31 N 0.88 0.08 -0.50 -0.78 0.00 -1.71 0.13 119.26 117.35 2jkr h ALA 31 Ca 0.00 0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 2jkr h ALA 31 Cb 1.14 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 2jkr h ALA 31 CO 0.11 -0.55 -0.15 0.35 0.00 0.00 0.00 179.25 179.02 2jkr h PHE 32 N -0.11 1.07 0.46 0.00 3.57 -1.84 -3.02 116.94 117.08 2jkr h PHE 32 Ca 0.15 -0.23 -0.02 0.00 3.53 0.00 0.00 57.97 61.41 2jkr h PHE 32 Cb 0.35 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 2jkr h PHE 32 CO -0.35 1.02 -0.40 -0.09 -2.23 0.00 0.00 178.31 176.27 2jkr h ARG 33 N 0.84 -0.81 -0.23 1.11 2.43 -0.79 -0.48 114.38 116.46 2jkr h ARG 33 Ca 0.13 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 2jkr h ARG 33 Cb 0.70 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.43 2jkr h ARG 33 CO 0.05 -0.54 0.00 1.55 -1.51 0.00 0.00 179.97 179.52 2jkr n VAL 34 N -4.82 0.31 0.00 0.20 3.14 0.31 -0.76 118.33 116.71 2jkr n VAL 34 Ca -0.10 -0.32 0.00 0.00 -2.96 0.00 0.00 64.34 60.96 2jkr n VAL 34 Cb 0.37 0.16 0.00 0.00 -1.06 0.00 0.00 33.84 33.31 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 0.19 3.02 -0.08 6.55 3.02 -1.14 -4.55 115.26 122.27 2jkr n ASN 35 Ca 0.08 0.00 -0.17 0.00 -0.03 0.00 0.00 54.58 54.47 2jkr n ASN 35 Cb 0.20 0.36 -0.06 0.00 -0.61 0.00 0.00 39.78 39.68 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 -1.31 0.96 -0.04 2.41 0.31 -0.21 -4.23 118.33 116.22 2jkr n VAL 36 Ca 0.00 -0.18 -0.13 0.00 -0.01 0.00 0.00 64.34 64.02 2jkr n VAL 36 Cb 0.24 -1.76 -0.08 0.00 -0.91 0.00 0.00 33.84 31.33 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 -0.60 1.33 -1.03 2.52 2.04 -1.14 -2.97 117.51 117.66 2jkr h ILE 37 Ca -0.38 -1.11 -0.68 0.00 1.00 0.00 0.00 64.86 63.69 2jkr h ILE 37 Cb 1.29 1.87 -0.29 0.00 -0.74 0.00 0.00 36.82 38.94 2jkr h ILE 37 CO -0.23 0.31 0.87 1.41 0.00 0.00 0.00 178.15 180.51 2jkr n HIS 38 N -4.72 3.23 -1.38 1.37 8.25 0.06 -4.97 115.22 117.06 2jkr n HIS 38 Ca -0.07 -3.01 -0.32 0.00 -0.26 0.00 0.00 57.72 54.06 2jkr n HIS 38 Cb 0.28 -1.44 0.09 0.00 1.12 0.00 0.00 29.99 30.04 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 -3.83 2.18 0.00 -1.41 0.00 -1.13 -4.62 121.76 112.95 2jkr s ALA 39 Ca 0.64 0.54 0.00 0.00 0.00 0.00 0.00 51.96 53.14 2jkr s ALA 39 Cb 0.51 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 20.27 2jkr s ALA 39 CO -0.02 -1.77 0.00 0.54 0.00 0.00 0.00 175.76 174.50 2jkr n ARG 40 N -3.09 0.00 0.17 0.00 1.74 -1.26 -4.90 116.66 109.32 2jkr n ARG 40 Ca 0.11 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.32 2jkr n ARG 40 Cb 0.52 0.00 0.35 0.00 -1.02 0.00 0.00 32.46 32.31 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 -6.47 5.56 4.20 -1.95 -3.45 115.11 112.99 2jkr h GLN 41 Ca 0.00 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.18 2jkr h GLN 41 Cb 0.00 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 2jkr h GLN 41 CO 0.00 0.00 0.48 -1.14 -0.67 0.00 0.00 178.83 177.50 2jkr s GLN 42 N -3.22 4.49 -0.33 1.46 2.00 -1.26 -4.99 119.66 117.81 2jkr s GLN 42 Ca 0.08 1.64 -0.26 0.00 -2.00 0.00 0.00 55.36 54.81 2jkr s GLN 42 Cb 0.09 -3.38 0.01 0.00 0.80 0.00 0.00 33.01 30.53 2jkr s GLN 42 CO 0.60 -0.15 0.94 0.14 -0.50 0.00 0.00 175.29 176.32 2jkr s VAL 43 N 0.92 4.62 0.73 1.34 -7.23 -1.26 -4.95 120.40 114.57 2jkr s VAL 43 Ca 0.55 1.38 -0.15 0.00 -1.81 0.00 0.00 61.98 61.96 2jkr s VAL 43 Cb -0.26 -4.31 0.04 0.00 0.56 0.00 0.00 36.38 32.41 2jkr s VAL 43 CO 0.29 -0.43 1.19 -0.13 -0.31 0.00 0.00 175.10 175.72 2jkr s ARG 44 N 3.38 2.19 0.09 4.82 0.52 -1.26 -5.07 118.95 123.61 2jkr s ARG 44 Ca 0.39 1.70 0.00 0.00 -0.52 0.00 0.00 55.73 57.31 2jkr s ARG 44 Cb -0.13 -1.85 -0.04 0.00 0.52 0.00 0.00 34.95 33.46 2jkr s ARG 44 CO 0.16 -1.79 -0.03 -1.12 0.02 0.00 0.00 175.30 172.54 2jkr s SER 45 N -2.13 0.78 0.16 0.23 0.01 -1.26 -5.07 113.70 106.43 2jkr s SER 45 Ca 0.73 -1.03 -0.15 0.00 1.31 0.00 0.00 55.95 56.81 2jkr s SER 45 Cb -0.28 0.16 0.10 0.00 0.21 0.00 0.00 66.02 66.21 2jkr s SER 45 CO 0.45 -0.56 1.74 -0.65 0.41 0.00 0.00 173.24 174.64 2jkr h PRO 46 N 3.02 0.26 -5.74 12.44 0.11 -1.93 -3.38 132.00 136.78 2jkr h PRO 46 Ca -0.35 -0.02 -0.68 0.00 0.11 0.00 0.00 66.00 65.07 2jkr h PRO 46 Cb 1.16 -0.06 -0.27 0.00 0.11 0.00 0.00 31.00 31.94 2jkr h PRO 46 CO 0.65 0.17 -0.80 0.54 -0.21 0.00 0.00 178.00 178.34 2jkr s VAL 47 N -6.15 2.74 -0.01 3.15 0.11 -1.26 -2.67 120.40 116.31 2jkr s VAL 47 Ca -0.13 -0.80 0.02 0.00 -2.93 0.00 0.00 61.98 58.14 2jkr s VAL 47 Cb 0.13 -2.09 -0.00 0.00 -1.53 0.00 0.00 36.38 32.88 2jkr s VAL 47 CO 0.72 0.56 -0.07 0.42 -3.33 0.00 0.00 175.10 173.40 2jkr s THR 48 N -0.05 0.52 -0.13 5.04 -4.23 -0.90 -4.98 115.64 110.91 2jkr s THR 48 Ca -0.04 -0.28 -0.04 0.00 -1.18 0.00 0.00 61.69 60.15 2jkr s THR 48 Cb -0.14 -0.44 -0.04 0.00 1.34 0.00 0.00 72.50 73.22 2jkr s THR 48 CO 0.04 0.15 0.03 0.21 -0.54 0.00 0.00 174.62 174.51 2jkr s ASN 49 N -0.13 5.43 -0.32 3.99 3.84 -1.26 -1.02 114.94 125.47 2jkr s ASN 49 Ca 0.02 0.12 -0.01 0.00 0.21 0.00 0.00 52.86 53.20 2jkr s ASN 49 Cb -0.03 -1.74 0.13 0.00 -0.55 0.00 0.00 41.25 39.06 2jkr s ASN 49 CO -0.00 0.29 0.22 -0.63 -2.79 0.00 0.00 177.10 174.19 2jkr s ILE 50 N -0.34 -0.11 -0.25 -5.21 1.01 -0.51 -4.93 121.20 110.85 2jkr s ILE 50 Ca 0.08 -1.02 -0.01 0.00 0.00 0.00 0.00 60.65 59.70 2jkr s ILE 50 Cb -0.12 -0.98 -0.01 0.00 0.01 0.00 0.00 42.46 41.36 2jkr s ILE 50 CO 0.02 -0.74 0.22 0.00 0.00 0.00 0.00 174.94 174.44 2jkr n ALA 51 N 4.77 -0.83 -3.94 9.38 0.00 -1.26 -3.58 120.51 125.05 2jkr n ALA 51 Ca 0.02 0.02 -0.31 0.00 0.00 0.00 0.00 53.44 53.17 2jkr n ALA 51 Cb 0.42 -1.52 -0.04 0.00 0.00 0.00 0.00 19.45 18.31 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 -1.85 -2.22 -3.66 0.00 1.74 -1.26 -4.94 116.66 104.47 2jkr n ARG 52 Ca -0.03 0.25 -0.24 0.00 -0.77 0.00 0.00 57.85 57.07 2jkr n ARG 52 Cb 0.53 -4.89 -0.17 0.00 -1.02 0.00 0.00 32.46 26.91 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 -3.02 -0.00 0.27 0.55 2.01 -1.23 -4.85 115.64 109.36 2jkr s THR 53 Ca 0.61 0.06 -0.21 0.00 0.31 0.00 0.00 61.69 62.46 2jkr s THR 53 Cb -0.35 -0.44 -0.09 0.00 0.01 0.00 0.00 72.50 71.63 2jkr s THR 53 CO 0.75 -0.04 0.80 -0.44 -0.69 0.00 0.00 174.62 175.00 2jkr s SER 54 N 2.11 7.12 -0.22 3.53 0.01 -0.85 -1.43 113.70 123.98 2jkr s SER 54 Ca 0.03 1.55 -0.01 0.00 1.31 0.00 0.00 55.95 58.84 2jkr s SER 54 Cb -0.14 -2.47 0.06 0.00 0.21 0.00 0.00 66.02 63.68 2jkr s SER 54 CO -0.06 -0.03 -0.02 -0.36 0.41 0.00 0.00 173.24 173.18 2jkr s PHE 55 N -1.60 1.87 -0.01 2.43 0.40 -0.19 -2.53 117.98 118.35 2jkr s PHE 55 Ca 0.47 -1.41 -0.16 0.00 -0.60 0.00 0.00 56.93 55.23 2jkr s PHE 55 Cb -0.17 -1.37 -0.06 0.00 0.51 0.00 0.00 43.02 41.94 2jkr s PHE 55 CO 0.21 -0.71 0.44 -0.06 0.70 0.00 0.00 175.22 175.81 2jkr s PHE 56 N 1.57 3.70 0.09 0.36 0.40 -0.20 -2.12 117.98 121.78 2jkr s PHE 56 Ca -0.04 1.01 -0.16 0.00 -0.60 0.00 0.00 56.93 57.14 2jkr s PHE 56 Cb -0.18 -2.37 0.03 0.00 0.51 0.00 0.00 43.02 41.01 2jkr s PHE 56 CO -0.07 0.54 0.38 -3.38 0.70 0.00 0.00 175.22 173.39 2jkr s HIS 57 N -0.75 -0.18 -0.04 0.36 -3.43 -1.09 0.78 115.29 110.94 2jkr s HIS 57 Ca 0.25 -0.05 -0.09 0.00 -0.80 0.00 0.00 55.06 54.36 2jkr s HIS 57 Cb -0.17 0.21 0.01 0.00 -1.43 0.00 0.00 32.58 31.20 2jkr s HIS 57 CO 0.13 -0.64 0.22 0.14 -2.00 0.00 0.00 174.74 172.60 2jkr s VAL 58 N -3.35 0.05 -0.10 -5.38 -7.23 -0.67 -4.85 120.40 98.87 2jkr s VAL 58 Ca 0.00 -0.38 -0.07 0.00 -1.81 0.00 0.00 61.98 59.72 2jkr s VAL 58 Cb 0.01 -0.44 -0.04 0.00 0.56 0.00 0.00 36.38 36.47 2jkr s VAL 58 CO -0.09 -0.21 0.17 -0.54 -0.31 0.00 0.00 175.10 174.13 2jkr s LYS 59 N -0.80 3.48 -0.02 4.82 -0.14 -1.26 -1.23 119.74 124.59 2jkr s LYS 59 Ca -0.09 -0.10 -0.07 0.00 -1.36 0.00 0.00 55.97 54.35 2jkr s LYS 59 Cb -0.05 -3.18 -0.03 0.00 -1.68 0.00 0.00 37.83 32.90 2jkr s LYS 59 CO 0.02 0.76 -0.14 -2.13 -0.76 0.00 0.00 175.35 173.10 2jkr n ARG 60 N 1.86 0.21 0.00 1.68 3.00 -0.46 -5.00 116.66 117.94 2jkr n ARG 60 Ca -0.18 0.08 0.00 0.00 -0.00 0.00 0.00 57.85 57.75 2jkr n ARG 60 Cb 0.55 -0.87 0.00 0.00 0.00 0.00 0.00 32.46 32.14 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 -3.86 0.00 -1.15 6.15 7.64 -1.26 -4.80 113.62 116.35 2jkr n SER 61 Ca -0.06 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.86 2jkr n SER 61 Cb 0.23 0.00 0.20 0.00 -1.01 0.00 0.00 64.21 63.64 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 3.24 -4.58 6.43 3.02 -1.26 -4.86 115.26 117.25 2jkr n ASN 62 Ca 0.00 -2.41 -0.35 0.00 -0.03 0.00 0.00 54.58 51.79 2jkr n ASN 62 Cb 0.00 -0.55 -0.11 0.00 -0.61 0.00 0.00 39.78 38.52 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 -1.85 4.55 -0.04 2.41 1.09 -1.26 -1.38 121.20 124.71 2jkr s ILE 63 Ca 0.28 -0.11 -0.19 0.00 -1.10 0.00 0.00 60.65 59.52 2jkr s ILE 63 Cb 0.20 -3.06 -0.05 0.00 -1.06 0.00 0.00 42.46 38.50 2jkr s ILE 63 CO 0.10 0.44 0.55 0.26 -0.10 0.00 0.00 174.94 176.19 2jkr s TRP 64 N 0.59 3.62 -0.03 3.97 0.52 -0.29 -1.36 118.94 125.96 2jkr s TRP 64 Ca 0.02 1.08 -0.01 0.00 0.02 0.00 0.00 56.10 57.22 2jkr s TRP 64 Cb -0.13 -2.57 0.03 0.00 -1.15 0.00 0.00 33.47 29.64 2jkr s TRP 64 CO 0.02 0.30 0.04 -0.48 0.02 0.00 0.00 176.95 176.84 2jkr s LEU 65 N 0.06 0.71 -0.04 2.99 2.34 -0.37 0.20 118.68 124.58 2jkr s LEU 65 Ca 0.29 0.04 0.03 0.00 0.06 0.00 0.00 54.13 54.56 2jkr s LEU 65 Cb -0.17 -0.13 0.00 0.00 -0.56 0.00 0.00 46.19 45.33 2jkr s LEU 65 CO 0.15 -0.17 -0.13 0.00 -1.06 0.00 0.00 176.35 175.13 2jkr s ALA 66 N 1.52 1.21 -0.20 1.48 0.00 0.18 -1.68 121.76 124.28 2jkr s ALA 66 Ca -0.03 -0.51 -0.11 0.00 0.00 0.00 0.00 51.96 51.31 2jkr s ALA 66 Cb -0.13 -0.43 -0.05 0.00 0.00 0.00 0.00 23.12 22.51 2jkr s ALA 66 CO -0.03 0.20 0.17 0.00 0.00 0.00 0.00 175.76 176.10 2jkr s ALA 67 N 0.16 3.66 -0.10 0.00 0.00 0.23 -0.26 121.76 125.46 2jkr s ALA 67 Ca -0.04 -0.66 -0.02 0.00 0.00 0.00 0.00 51.96 51.24 2jkr s ALA 67 Cb -0.11 -2.23 -0.03 0.00 0.00 0.00 0.00 23.12 20.75 2jkr s ALA 67 CO 0.02 0.11 -0.02 0.08 0.00 0.00 0.00 175.76 175.95 2jkr s VAL 68 N 0.45 4.07 0.05 0.00 1.01 -0.53 -1.04 120.40 124.40 2jkr s VAL 68 Ca 0.10 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 61.77 2jkr s VAL 68 Cb -0.12 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.51 2jkr s VAL 68 CO -0.00 0.57 -0.06 0.28 0.00 0.00 0.00 175.10 175.88 2jkr s THR 69 N -0.49 0.45 -1.32 3.92 -1.32 -1.05 -0.09 115.64 115.74 2jkr s THR 69 Ca 0.08 -1.25 0.11 0.00 -1.21 0.00 0.00 61.69 59.42 2jkr s THR 69 Cb -0.12 -0.80 0.14 0.00 -1.51 0.00 0.00 72.50 70.21 2jkr s THR 69 CO 0.02 -0.54 0.94 1.17 -2.21 0.00 0.00 174.62 174.00 2jkr n LYS 70 N 1.12 1.04 -3.12 7.08 4.81 -1.26 -2.00 118.16 125.83 2jkr n LYS 70 Ca -0.20 -1.36 -0.18 0.00 -0.87 0.00 0.00 58.31 55.70 2jkr n LYS 70 Cb 0.56 -1.23 0.01 0.00 0.02 0.00 0.00 35.03 34.39 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 -0.96 2.71 -1.32 1.64 1.11 -1.26 -4.94 119.66 116.64 2jkr s GLN 71 Ca 0.15 -1.35 -0.09 0.00 0.01 0.00 0.00 55.36 54.08 2jkr s GLN 71 Cb 0.10 -2.67 0.14 0.00 -1.01 0.00 0.00 33.01 29.57 2jkr s GLN 71 CO 0.15 -0.34 2.04 -1.71 0.01 0.00 0.00 175.29 175.44 2jkr n ASN 72 N -1.85 5.54 -4.76 5.90 4.05 -1.26 -4.92 115.26 117.97 2jkr n ASN 72 Ca 0.08 -3.07 -0.33 0.00 0.45 0.00 0.00 54.58 51.72 2jkr n ASN 72 Cb 0.60 -1.48 0.07 0.00 1.23 0.00 0.00 39.78 40.19 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 0.53 3.06 -0.04 3.44 -7.23 -1.26 -4.95 120.40 113.95 2jkr s VAL 73 Ca 0.44 0.46 -0.29 0.00 -1.81 0.00 0.00 61.98 60.78 2jkr s VAL 73 Cb 0.12 -2.96 -0.08 0.00 0.56 0.00 0.00 36.38 34.02 2jkr s VAL 73 CO -0.02 -0.34 1.99 0.21 -0.31 0.00 0.00 175.10 176.63 2jkr s ASN 74 N -2.65 6.24 0.01 4.85 3.84 -1.26 -4.88 114.94 121.09 2jkr s ASN 74 Ca 0.67 2.43 -0.20 0.00 0.21 0.00 0.00 52.86 55.97 2jkr s ASN 74 Cb -0.21 -2.53 -0.22 0.00 -0.55 0.00 0.00 41.25 37.74 2jkr s ASN 74 CO 0.45 -1.25 1.14 0.00 -2.79 0.00 0.00 177.10 174.65 2jkr h ALA 75 N 11.50 0.11 -0.95 1.71 0.00 -2.01 -3.16 119.26 126.46 2jkr h ALA 75 Ca -0.46 -0.53 0.16 0.00 0.00 0.00 0.00 54.91 54.07 2jkr h ALA 75 Cb 1.23 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.94 2jkr h ALA 75 CO 0.95 0.33 0.56 0.00 0.00 0.00 0.00 179.25 181.08 2jkr h ALA 76 N 0.37 1.49 -0.17 0.00 0.00 -2.01 -2.29 119.26 116.64 2jkr h ALA 76 Ca -0.06 0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.96 2jkr h ALA 76 Cb 1.22 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 2jkr h ALA 76 CO 0.11 0.01 -0.06 1.98 0.00 0.00 0.00 179.25 181.29 2jkr h MET 77 N 0.78 -0.03 -0.85 0.00 -1.53 -1.95 -1.33 114.93 110.02 2jkr h MET 77 Ca 0.52 0.00 0.07 0.00 -3.44 0.00 0.00 59.70 56.85 2jkr h MET 77 Cb 0.70 0.01 -0.06 0.00 -0.55 0.00 0.00 31.60 31.70 2jkr h MET 77 CO -0.34 -0.02 0.55 0.28 0.14 0.00 0.00 176.91 177.52 2jkr h VAL 78 N -0.03 1.02 -0.03 -5.77 2.07 -1.41 0.00 116.25 112.10 2jkr h VAL 78 Ca 0.09 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 2jkr h VAL 78 Cb 0.16 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 29.97 2jkr h VAL 78 CO -0.19 0.16 -0.04 -0.26 0.02 0.00 0.00 177.57 177.27 2jkr h PHE 79 N 0.90 0.10 -1.03 1.57 0.05 -1.47 -0.69 116.94 116.38 2jkr h PHE 79 Ca 0.37 -0.03 0.28 0.00 3.82 0.00 0.00 57.97 62.41 2jkr h PHE 79 Cb 0.28 -0.02 -0.12 0.00 2.00 0.00 0.00 35.95 38.09 2jkr h PHE 79 CO -0.00 0.57 0.62 0.93 -0.18 0.00 0.00 178.31 180.25 2jkr h GLU 80 N -0.40 0.45 -0.07 1.51 4.39 -0.49 0.51 114.58 120.47 2jkr h GLU 80 Ca 0.00 -0.03 -0.08 0.00 0.34 0.00 0.00 59.36 59.60 2jkr h GLU 80 Cb 0.56 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 2jkr h GLU 80 CO 0.01 0.30 -0.26 0.35 -1.16 0.00 0.00 179.01 178.24 2jkr h PHE 81 N 0.46 0.40 -0.96 4.33 3.57 -0.98 -2.33 116.94 121.44 2jkr h PHE 81 Ca 0.67 -0.17 0.11 0.00 3.53 0.00 0.00 57.97 62.11 2jkr h PHE 81 Cb 1.45 -0.07 -0.08 0.00 2.79 0.00 0.00 35.95 40.05 2jkr h PHE 81 CO -0.01 0.88 0.59 -0.07 -2.23 0.00 0.00 178.31 177.48 2jkr h LEU 82 N -0.19 0.87 0.31 0.59 3.38 0.94 0.12 115.31 121.33 2jkr h LEU 82 Ca -0.01 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2jkr h LEU 82 Cb 0.90 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2jkr h LEU 82 CO 0.06 0.48 -0.15 1.88 0.09 0.00 0.00 178.44 180.80 2jkr h TYR 83 N 0.96 -0.38 -0.58 1.13 0.05 -0.15 -2.33 116.97 115.67 2jkr h TYR 83 Ca 0.46 -0.01 0.11 0.00 0.05 0.00 0.00 58.73 59.34 2jkr h TYR 83 Cb 0.42 0.13 -0.08 0.00 1.01 0.00 0.00 36.73 38.20 2jkr h TYR 83 CO -0.02 -0.16 0.13 -0.22 -1.05 0.00 0.00 178.16 176.84 2jkr h LYS 84 N -0.53 0.25 0.00 4.88 3.64 -0.97 -0.71 116.57 123.14 2jkr h LYS 84 Ca -0.04 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 2jkr h LYS 84 Cb 0.39 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.15 2jkr h LYS 84 CO 0.07 0.17 -0.05 1.98 -2.27 0.00 0.00 179.45 179.34 2jkr h MET 85 N 0.26 0.00 0.15 1.90 1.85 -0.63 0.61 114.93 119.07 2jkr h MET 85 Ca 0.30 0.00 -0.30 0.00 -0.61 0.00 0.00 59.70 59.09 2jkr h MET 85 Cb 0.44 0.00 0.01 0.00 0.43 0.00 0.00 31.60 32.47 2jkr h MET 85 CO -0.38 0.05 -1.41 0.00 -0.40 0.00 0.00 176.91 174.77 2jkr h ASP 87 N 0.09 -0.55 -0.25 0.00 3.32 0.03 -0.23 116.42 118.82 2jkr h ASP 87 Ca -0.20 -0.01 0.06 0.00 0.02 0.00 0.00 57.03 56.89 2jkr h ASP 87 Cb 2.03 0.14 -0.06 0.00 0.22 0.00 0.00 39.33 41.66 2jkr h ASP 87 CO 0.20 -0.35 -0.12 0.58 -1.72 0.00 0.00 179.24 177.83 2jkr h VAL 88 N -0.71 0.63 -0.97 -1.35 2.07 -1.09 -0.88 116.25 113.95 2jkr h VAL 88 Ca -0.07 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.62 2jkr h VAL 88 Cb 0.53 0.63 -0.09 0.00 -1.52 0.00 0.00 31.29 30.83 2jkr h VAL 88 CO 0.11 0.00 0.61 -0.03 0.02 0.00 0.00 177.57 178.28 2jkr h MET 89 N -0.09 0.74 0.00 1.57 -1.53 -1.23 -1.37 114.93 113.02 2jkr h MET 89 Ca 0.13 -0.04 -0.15 0.00 -3.44 0.00 0.00 59.70 56.20 2jkr h MET 89 Cb 0.28 -0.17 -0.02 0.00 -0.55 0.00 0.00 31.60 31.15 2jkr h MET 89 CO -0.30 0.49 -0.70 0.00 0.14 0.00 0.00 176.91 176.54 2jkr h ALA 90 N 1.61 0.66 0.00 0.39 0.00 -0.34 -2.26 119.26 119.31 2jkr h ALA 90 Ca 0.52 -0.64 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2jkr h ALA 90 Cb 0.81 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 2jkr h ALA 90 CO -0.29 0.87 -0.03 0.00 0.00 0.00 0.00 179.25 179.80 2jkr h ALA 91 N 1.30 1.05 0.00 0.00 0.00 -0.05 0.71 119.26 122.26 2jkr h ALA 91 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2jkr h ALA 91 Cb 1.39 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2jkr h ALA 91 CO 0.09 0.04 -1.10 0.66 0.00 0.00 0.00 179.25 178.94 2jkr n TYR 92 N -3.19 0.00 -2.31 0.00 4.02 -1.01 -4.78 117.16 109.90 2jkr n TYR 92 Ca -0.01 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 57.86 2jkr n TYR 92 Cb 0.22 -0.09 0.03 0.00 -0.02 0.00 0.00 39.34 39.49 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 -1.60 -0.64 -0.66 -0.72 1.16 -0.88 -4.32 117.46 109.81 2jkr n PHE 93 Ca 0.02 -0.60 0.00 0.00 -1.87 0.00 0.00 57.45 55.00 2jkr n PHE 93 Cb 0.34 0.80 0.00 0.00 -1.61 0.00 0.00 39.48 39.01 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 -0.48 3.31 3.46 4.97 0.00 0.24 -4.48 105.19 112.21 2jkr n GLY 94 Ca -0.10 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 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 0.58 -1.21 1.61 3.00 -1.26 -4.19 118.16 130.69 2jkr n LYS 95 Ca 0.00 0.21 -0.28 0.00 -0.00 0.00 0.00 58.31 58.24 2jkr n LYS 95 Cb 0.00 -1.57 0.11 0.00 0.00 0.00 0.00 35.03 33.57 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 -1.08 3.31 -1.25 3.15 2.08 -1.26 -4.86 119.36 119.45 2jkr n ILE 96 Ca 0.11 -2.34 -0.29 0.00 0.56 0.00 0.00 62.75 60.79 2jkr n ILE 96 Cb 0.42 -0.93 0.18 0.00 -0.75 0.00 0.00 39.64 38.56 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 -1.34 2.53 0.32 4.38 1.04 -1.26 -4.65 113.70 114.72 2jkr s SER 97 Ca 0.57 1.03 0.07 0.00 0.48 0.00 0.00 55.95 58.09 2jkr s SER 97 Cb 0.45 -1.61 0.54 0.00 0.10 0.00 0.00 66.02 65.51 2jkr s SER 97 CO 0.03 -3.17 1.76 -0.08 0.98 0.00 0.00 173.24 172.76 2jkr h GLU 98 N -1.92 0.25 0.41 4.02 4.81 -1.96 -2.86 114.58 117.33 2jkr h GLU 98 Ca -0.53 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 58.58 2jkr h GLU 98 Cb 1.33 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.70 2jkr h GLU 98 CO 0.55 0.56 -0.20 1.49 -0.73 0.00 0.00 179.01 180.68 2jkr h GLU 99 N 0.22 -0.53 -0.06 1.92 4.57 -1.98 -1.79 114.58 116.94 2jkr h GLU 99 Ca 0.03 0.04 0.02 0.00 -1.18 0.00 0.00 59.36 58.26 2jkr h GLU 99 Cb 0.69 0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 29.40 2jkr h GLU 99 CO 0.05 -0.25 0.06 -0.91 -1.18 0.00 0.00 179.01 176.77 2jkr h ASN 100 N -0.74 0.00 0.19 1.04 -0.26 -1.88 -2.10 115.58 111.83 2jkr h ASN 100 Ca -0.06 0.00 -0.35 0.00 -0.56 0.00 0.00 56.30 55.34 2jkr h ASN 100 Cb 0.52 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.79 2jkr h ASN 100 CO 0.09 0.00 -1.70 0.40 -1.06 0.00 0.00 177.43 175.16 2jkr h ILE 101 N 0.00 0.97 0.00 2.81 2.04 -1.48 -3.20 117.51 118.65 2jkr h ILE 101 Ca 0.03 -2.52 0.00 0.00 1.00 0.00 0.00 64.86 63.37 2jkr h ILE 101 Cb 0.14 2.79 0.00 0.00 -0.74 0.00 0.00 36.82 39.01 2jkr h ILE 101 CO -0.00 0.85 0.00 0.11 0.00 0.00 0.00 178.15 179.11 2jkr h LYS 102 N 0.08 0.00 -0.39 2.37 1.57 -0.82 -2.16 116.57 117.23 2jkr h LYS 102 Ca -0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 2jkr h LYS 102 Cb 2.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.39 2jkr h LYS 102 CO 0.18 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 179.15 2jkr n ASN 103 N -2.55 3.25 -1.28 0.86 4.13 -0.84 -4.54 115.26 114.29 2jkr n ASN 103 Ca -0.02 -1.93 -0.01 0.00 1.68 0.00 0.00 54.58 54.30 2jkr n ASN 103 Cb 0.05 -0.25 -0.02 0.00 -1.54 0.00 0.00 39.78 38.02 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 1.22 0.17 -0.26 6.41 5.03 -0.82 -4.69 115.26 122.32 2jkr n ASN 104 Ca 0.17 -1.99 -0.05 0.00 0.87 0.00 0.00 54.58 53.57 2jkr n ASN 104 Cb 0.53 -0.05 -0.00 0.00 -1.02 0.00 0.00 39.78 39.24 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 0.58 -1.12 0.64 3.10 0.04 -1.78 0.17 116.94 118.57 2jkr h PHE 105 Ca -0.37 0.09 -0.03 0.00 2.80 0.00 0.00 57.97 60.46 2jkr h PHE 105 Cb 1.69 0.59 0.01 0.00 2.20 0.00 0.00 35.95 40.44 2jkr h PHE 105 CO 0.02 -0.40 -0.31 -0.39 -0.60 0.00 0.00 178.31 176.64 2jkr h VAL 106 N -0.14 0.25 -1.14 -0.55 -1.51 -1.92 -0.72 116.25 110.52 2jkr h VAL 106 Ca 0.24 -0.26 0.32 0.00 -1.23 0.00 0.00 66.70 65.77 2jkr h VAL 106 Cb 0.56 0.32 -0.08 0.00 -2.13 0.00 0.00 31.29 29.95 2jkr h VAL 106 CO -0.77 0.03 0.76 0.25 -1.23 0.00 0.00 177.57 176.61 2jkr h LEU 107 N -1.06 0.27 0.06 4.19 5.85 -1.88 -0.46 115.31 122.28 2jkr h LEU 107 Ca -0.09 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 2jkr h LEU 107 Cb 0.70 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.76 2jkr h LEU 107 CO 0.14 0.02 -0.03 0.40 -0.34 0.00 0.00 178.44 178.64 2jkr h ILE 108 N 0.22 0.30 -0.87 4.05 2.04 -0.74 -1.40 117.51 121.12 2jkr h ILE 108 Ca 0.62 -1.14 0.17 0.00 1.00 0.00 0.00 64.86 65.51 2jkr h ILE 108 Cb 1.92 0.55 -0.10 0.00 -0.74 0.00 0.00 36.82 38.45 2jkr h ILE 108 CO -0.21 0.10 0.43 1.88 0.00 0.00 0.00 178.15 180.34 2jkr h TYR 109 N -1.01 0.74 -0.40 1.37 0.05 -0.73 0.45 116.97 117.45 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 0.22 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 37.75 2jkr h TYR 109 CO 0.04 0.12 -0.04 1.49 -1.05 0.00 0.00 178.16 178.72 2jkr h GLU 110 N 0.56 0.66 -0.33 4.88 4.81 -1.20 -2.43 114.58 121.54 2jkr h GLU 110 Ca 0.49 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 59.53 2jkr h GLU 110 Cb 0.78 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 2jkr h GLU 110 CO -0.41 0.71 0.13 1.25 -0.73 0.00 0.00 179.01 179.95 2jkr h LEU 111 N 0.62 0.46 -0.53 1.64 7.12 0.89 -3.18 115.31 122.32 2jkr h LEU 111 Ca 0.12 -0.18 0.02 0.00 0.13 0.00 0.00 57.88 57.97 2jkr h LEU 111 Cb 0.45 -0.12 -0.03 0.00 -0.53 0.00 0.00 40.66 40.43 2jkr h LEU 111 CO 0.02 0.51 0.33 -0.07 -0.13 0.00 0.00 178.44 179.11 2jkr h LEU 112 N 0.38 0.56 -1.56 2.25 3.38 -0.23 -2.43 115.31 117.66 2jkr h LEU 112 Ca 0.11 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2jkr h LEU 112 Cb 0.20 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2jkr h LEU 112 CO -0.01 0.40 0.00 0.47 0.09 0.00 0.00 178.44 179.39 2jkr n ASP 113 N -4.75 1.65 0.00 -0.43 10.43 -0.95 -2.20 116.55 120.30 2jkr n ASP 113 Ca 0.03 -1.56 0.00 0.00 2.57 0.00 0.00 54.79 55.84 2jkr n ASP 113 Cb 0.05 -0.39 0.00 0.00 1.84 0.00 0.00 41.12 42.62 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 0.39 0.03 0.00 -1.24 4.07 -1.08 -4.76 120.64 118.06 2jkr n GLU 114 Ca 0.00 0.00 0.14 0.00 -0.06 0.00 0.00 57.16 57.24 2jkr n GLU 114 Cb 0.30 -0.42 0.52 0.00 -0.06 0.00 0.00 31.44 31.78 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 -0.50 0.00 -3.15 6.31 0.13 -0.94 -4.74 119.36 116.47 2jkr n ILE 115 Ca 0.00 -0.11 0.05 0.00 -1.10 0.00 0.00 62.75 61.59 2jkr n ILE 115 Cb 0.00 0.15 -0.00 0.00 -0.84 0.00 0.00 39.64 38.95 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 -2.41 -0.83 -0.20 9.51 2.96 -0.94 -1.69 118.68 125.09 2jkr s LEU 116 Ca 0.29 0.16 -0.08 0.00 -0.22 0.00 0.00 54.13 54.28 2jkr s LEU 116 Cb 0.20 1.55 -0.04 0.00 0.50 0.00 0.00 46.19 48.40 2jkr s LEU 116 CO 0.47 -0.15 0.08 -0.62 -1.32 0.00 0.00 176.35 174.81 2jkr s ASP 117 N 2.91 5.66 -1.48 3.68 2.15 -0.66 -4.42 116.67 124.51 2jkr s ASP 117 Ca 0.19 0.05 0.00 0.00 0.43 0.00 0.00 52.55 53.22 2jkr s ASP 117 Cb -0.06 -1.99 0.00 0.00 -0.30 0.00 0.00 42.92 40.58 2jkr s ASP 117 CO -0.22 0.13 0.00 0.33 -0.17 0.00 0.00 175.17 175.23 2jkr n PHE 118 N 3.85 -0.50 -0.56 -5.34 7.35 -1.26 -0.39 117.46 120.62 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 -2.79 0.00 0.00 0.35 0.00 0.00 39.48 37.56 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 -0.38 0.75 3.63 7.13 0.00 -1.25 -4.66 105.19 110.41 2jkr n GLY 119 Ca -0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.54 3.29 0.82 1.61 4.12 0.47 -1.83 117.35 123.29 2jkr s TYR 120 Ca 0.00 0.62 -0.12 0.00 0.02 0.00 0.00 57.07 57.60 2jkr s TYR 120 Cb 0.00 -2.67 0.09 0.00 -1.52 0.00 0.00 41.96 37.86 2jkr s TYR 120 CO 0.00 -0.22 1.14 -1.25 0.02 0.00 0.00 175.55 175.25 2jkr s PRO 121 N 2.07 1.69 -0.01 -1.71 0.04 -1.26 -1.66 135.00 134.16 2jkr s PRO 121 Ca 0.20 1.49 0.06 0.00 0.04 0.00 0.00 61.00 62.79 2jkr s PRO 121 Cb -0.16 -1.81 0.10 0.00 0.04 0.00 0.00 34.50 32.67 2jkr s PRO 121 CO 0.09 -2.12 1.04 0.94 0.04 0.00 0.00 177.00 177.00 2jkr n GLN 122 N -3.61 0.14 -2.08 4.56 -0.06 -0.68 -4.85 117.38 110.80 2jkr n GLN 122 Ca 0.11 -1.33 0.00 0.00 -2.00 0.00 0.00 57.00 53.78 2jkr n GLN 122 Cb 0.52 -0.53 0.00 0.00 -4.06 0.00 0.00 30.24 26.17 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 -0.07 -5.29 0.00 1.69 6.94 -1.26 -4.88 115.26 112.39 2jkr n ASN 123 Ca 0.03 1.41 0.00 0.00 -0.02 0.00 0.00 54.58 56.00 2jkr n ASN 123 Cb 0.76 -3.59 0.00 0.00 -2.36 0.00 0.00 39.78 34.59 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 -1.55 0.53 2.88 -1.26 -4.94 113.62 111.15 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 -0.25 -1.34 -0.68 -1.46 1.02 -1.26 -2.24 120.64 114.43 2jkr n GLU 125 Ca 0.00 1.12 -0.03 0.00 -0.02 0.00 0.00 57.16 58.24 2jkr n GLU 125 Cb 0.00 -5.46 -0.01 0.00 -0.02 0.00 0.00 31.44 25.95 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 -2.70 0.00 -1.91 2.62 -1.04 -1.26 -4.85 114.28 105.14 2jkr n THR 126 Ca -0.19 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.39 2jkr n THR 126 Cb 0.63 -0.45 -0.03 0.00 -1.82 0.00 0.00 70.33 68.65 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 -1.02 1.48 -0.60 3.41 0.00 -0.95 -3.22 107.32 106.41 2jkr s GLY 127 Ca 0.00 1.03 -0.08 0.00 0.00 0.00 0.00 44.72 45.67 2jkr s GLY 127 CO 0.00 3.18 0.19 0.00 0.00 0.00 0.00 173.10 176.47 2jkr n ALA 128 N 7.40 -0.88 0.40 3.20 0.00 -1.26 -4.76 120.51 124.61 2jkr n ALA 128 Ca 0.18 -0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.69 2jkr n ALA 128 Cb 0.42 -1.05 0.40 0.00 0.00 0.00 0.00 19.45 19.23 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 -0.28 0.00 -0.76 0.00 3.38 -1.91 -3.16 115.31 112.59 2jkr h LEU 129 Ca -0.19 0.00 0.11 0.00 0.09 0.00 0.00 57.88 57.88 2jkr h LEU 129 Cb 0.94 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.61 2jkr h LEU 129 CO 0.29 0.00 0.39 0.50 0.09 0.00 0.00 178.44 179.71 2jkr h LYS 130 N 0.00 0.62 -0.98 1.13 3.64 -1.85 0.28 116.57 119.41 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 0.70 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 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 -4.85 0.35 0.00 1.00 -2.24 -1.19 -3.00 114.28 104.35 2jkr n THR 131 Ca 0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 2jkr n THR 131 Cb 0.31 -0.64 0.00 0.00 -2.10 0.00 0.00 70.33 67.90 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 0.25 0.00 -3.29 4.78 3.01 -0.34 -4.98 117.46 116.88 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 0.31 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.78 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 -0.26 5.90 0.00 4.37 -1.09 0.84 -4.91 121.20 126.05 2jkr s ILE 133 Ca 0.00 -3.33 0.00 0.00 -2.23 0.00 0.00 60.65 55.09 2jkr s ILE 133 Cb 0.00 -4.64 0.00 0.00 -1.58 0.00 0.00 42.46 36.24 2jkr s ILE 133 CO 0.00 -1.24 1.57 0.35 -1.23 0.00 0.00 174.94 174.39 2jkr n THR 134 N 2.92 1.57 -3.94 2.92 -2.24 -1.26 -4.79 114.28 109.46 2jkr n THR 134 Ca 0.25 -0.38 -0.09 0.00 -2.27 0.00 0.00 64.05 61.56 2jkr n THR 134 Cb 0.40 -1.37 -0.10 0.00 -2.10 0.00 0.00 70.33 67.16 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 0.35 0.51 0.00 -0.78 2.00 -1.26 -5.12 119.66 115.36 2jkr s GLN 135 Ca 0.00 -0.69 0.00 0.00 -2.00 0.00 0.00 55.36 52.67 2jkr s GLN 135 Cb 0.00 0.20 0.00 0.00 0.80 0.00 0.00 33.01 34.01 2jkr s GLN 135 CO 0.00 -0.12 0.00 1.04 -0.50 0.00 0.00 175.29 175.71 2jkr n GLN 136 N 1.04 0.00 0.00 1.67 1.13 -1.26 -4.99 117.38 114.97 2jkr n GLN 136 Ca -0.20 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.86 2jkr n GLN 136 Cb 0.57 -0.07 0.00 0.00 0.11 0.00 0.00 30.24 30.85 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 0.85 3.56 1.08 0.00 -1.26 -5.07 105.19 104.34 2jkr n GLY 137 Ca 0.00 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 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 3.88 1.07 -0.61 1.01 -1.26 -4.94 121.20 120.35 2jkr s ILE 138 Ca 0.00 -0.52 -0.13 0.00 0.00 0.00 0.00 60.65 60.00 2jkr s ILE 138 Cb 0.00 -5.03 0.23 0.00 0.01 0.00 0.00 42.46 37.67 2jkr s ILE 138 CO 0.00 -1.92 1.08 -1.59 0.00 0.00 0.00 174.94 172.51 2jkr s LYS 139 N 5.13 -0.16 0.00 2.79 0.00 -1.26 -4.91 119.74 121.33 2jkr s LYS 139 Ca 0.44 0.47 0.00 0.00 0.00 0.00 0.00 55.97 56.88 2jkr s LYS 139 Cb -0.02 -1.67 0.00 0.00 0.00 0.00 0.00 37.83 36.14 2jkr s LYS 139 CO -0.05 -3.12 0.00 0.45 0.00 0.00 0.00 175.35 172.63 2jkr n SER 140 N -4.44 0.00 -3.38 0.03 2.88 -1.26 -5.09 113.62 102.35 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 1.60 0.00 -1.46 0.74 -1.26 -4.51 119.66 112.77 2jkr s GLN 141 Ca 0.00 -0.99 0.00 0.00 0.05 0.00 0.00 55.36 54.42 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 -0.57 0.00 -3.19 -2.34 5.41 -1.26 -5.14 119.36 112.27 2jkr n ILE 159 Ca -0.05 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.61 2jkr n ILE 159 Cb 0.60 0.00 0.01 0.00 -0.71 0.00 0.00 39.64 39.54 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 -0.56 3.74 7.39 0.00 -1.26 -4.43 105.19 110.07 2jkr n GLY 160 Ca 0.00 0.37 -0.29 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.25 2.40 -0.25 1.61 0.23 -1.26 -4.07 118.94 116.35 2jkr s TRP 161 Ca 0.09 1.01 -0.09 0.00 -2.03 0.00 0.00 56.10 55.08 2jkr s TRP 161 Cb -0.01 -3.27 0.11 0.00 0.03 0.00 0.00 33.47 30.33 2jkr s TRP 161 CO 0.32 -2.45 0.55 0.50 0.96 0.00 0.00 176.95 176.84 2jkr s ARG 162 N -5.10 0.47 0.47 4.98 3.52 -1.26 -4.46 118.95 117.57 2jkr s ARG 162 Ca 0.64 1.26 -0.22 0.00 -0.13 0.00 0.00 55.73 57.28 2jkr s ARG 162 Cb -0.16 0.62 -0.09 0.00 -1.56 0.00 0.00 34.95 33.75 2jkr s ARG 162 CO 0.55 -0.22 0.89 0.54 -0.81 0.00 0.00 175.30 176.26 2jkr n ARG 163 N 5.38 1.08 -2.28 5.12 5.12 -1.26 -4.95 116.66 124.86 2jkr n ARG 163 Ca -0.11 0.39 -0.37 0.00 -1.93 0.00 0.00 57.85 55.84 2jkr n ARG 163 Cb 0.50 -1.96 -0.01 0.00 -1.16 0.00 0.00 32.46 29.82 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 -2.11 3.73 -1.05 5.56 2.56 -1.26 -4.04 118.70 122.09 2jkr s GLU 164 Ca 0.66 1.73 -0.16 0.00 0.00 0.00 0.00 54.97 57.20 2jkr s GLU 164 Cb -0.52 -2.36 -0.01 0.00 2.00 0.00 0.00 34.13 33.24 2jkr s GLU 164 CO 0.55 -0.56 0.76 0.41 -0.56 0.00 0.00 175.26 175.86 2jkr n GLY 165 N 0.39 -1.07 3.77 -1.50 0.00 -1.26 -5.00 105.19 100.51 2jkr n GLY 165 Ca 0.08 0.48 -0.39 0.00 0.00 0.00 0.00 46.02 46.19 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 -3.35 4.10 -0.04 -0.61 -0.00 -1.26 -4.98 121.20 115.06 2jkr s ILE 166 Ca 0.36 1.93 0.03 0.00 -0.00 0.00 0.00 60.65 62.97 2jkr s ILE 166 Cb -0.13 -4.15 0.01 0.00 -0.00 0.00 0.00 42.46 38.18 2jkr s ILE 166 CO 0.85 0.32 -0.12 -0.54 -0.00 0.00 0.00 174.94 175.45 2jkr s LYS 167 N -1.62 1.42 0.12 0.37 1.02 -1.26 -2.25 119.74 117.54 2jkr s LYS 167 Ca 0.46 -0.42 0.08 0.00 0.02 0.00 0.00 55.97 56.11 2jkr s LYS 167 Cb -0.23 -1.24 -0.04 0.00 -0.52 0.00 0.00 37.83 35.80 2jkr s LYS 167 CO 0.28 0.11 -0.20 0.71 -0.92 0.00 0.00 175.35 175.34 2jkr s TYR 168 N 0.33 1.76 0.00 3.18 1.51 -1.26 -4.96 117.35 117.90 2jkr s TYR 168 Ca -0.07 -0.44 0.00 0.00 -1.01 0.00 0.00 57.07 55.55 2jkr s TYR 168 Cb -0.12 -0.94 0.00 0.00 -0.11 0.00 0.00 41.96 40.79 2jkr s TYR 168 CO 0.02 0.23 0.76 2.89 -1.11 0.00 0.00 175.55 178.34 2jkr n ARG 169 N 0.87 0.00 -4.26 -0.62 1.85 -1.26 -4.74 116.66 108.50 2jkr n ARG 169 Ca -0.18 0.41 -0.26 0.00 -1.00 0.00 0.00 57.85 56.82 2jkr n ARG 169 Cb 0.55 -1.26 -0.08 0.00 -1.05 0.00 0.00 32.46 30.61 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 -2.05 2.22 -0.66 2.89 0.52 -1.26 -5.11 118.95 115.50 2jkr s ARG 170 Ca 0.00 -1.24 -0.20 0.00 -0.52 0.00 0.00 55.73 53.78 2jkr s ARG 170 Cb 0.00 -2.23 0.10 0.00 0.52 0.00 0.00 34.95 33.35 2jkr s ARG 170 CO 0.00 0.43 0.82 -0.80 0.02 0.00 0.00 175.30 175.77 2jkr s ASN 171 N -3.00 6.26 0.21 0.23 0.01 -1.26 -4.83 114.94 112.56 2jkr s ASN 171 Ca 0.27 -1.45 0.09 0.00 -0.71 0.00 0.00 52.86 51.06 2jkr s ASN 171 Cb -0.09 -2.34 -0.04 0.00 0.41 0.00 0.00 41.25 39.19 2jkr s ASN 171 CO 0.17 -1.17 -0.05 -1.83 -1.51 0.00 0.00 177.10 172.71 2jkr s GLU 172 N 2.93 2.20 -0.04 -0.60 -1.05 -0.72 -0.01 118.70 121.39 2jkr s GLU 172 Ca 0.17 -1.29 -0.06 0.00 -0.15 0.00 0.00 54.97 53.64 2jkr s GLU 172 Cb -0.19 -2.20 0.01 0.00 -0.44 0.00 0.00 34.13 31.31 2jkr s GLU 172 CO 0.05 0.42 0.16 -0.48 0.95 0.00 0.00 175.26 176.36 2jkr s LEU 173 N -3.12 1.40 0.01 1.83 0.05 -0.05 -1.23 118.68 117.57 2jkr s LEU 173 Ca 0.27 0.18 0.05 0.00 0.05 0.00 0.00 54.13 54.69 2jkr s LEU 173 Cb -0.08 0.62 -0.03 0.00 -2.05 0.00 0.00 46.19 44.65 2jkr s LEU 173 CO 0.17 -0.15 -0.12 -0.36 -0.55 0.00 0.00 176.35 175.34 2jkr s PHE 174 N -0.35 2.73 -0.26 3.48 0.40 0.15 -2.62 117.98 121.52 2jkr s PHE 174 Ca -0.04 -0.15 -0.01 0.00 -0.60 0.00 0.00 56.93 56.13 2jkr s PHE 174 Cb -0.03 -1.55 0.08 0.00 0.51 0.00 0.00 43.02 42.03 2jkr s PHE 174 CO 0.01 0.30 0.06 -0.51 0.70 0.00 0.00 175.22 175.77 2jkr s LEU 175 N -1.35 1.86 -0.22 -0.37 1.43 -0.03 -1.74 118.68 118.26 2jkr s LEU 175 Ca 0.15 -1.27 -0.16 0.00 -1.03 0.00 0.00 54.13 51.83 2jkr s LEU 175 Cb -0.11 -0.80 -0.04 0.00 0.03 0.00 0.00 46.19 45.28 2jkr s LEU 175 CO 0.06 -0.35 0.41 -1.81 0.23 0.00 0.00 176.35 174.88 2jkr s ASP 176 N 1.69 6.40 -0.56 2.29 -0.00 -0.31 -1.18 116.67 125.00 2jkr s ASP 176 Ca 0.04 0.47 -0.14 0.00 -0.00 0.00 0.00 52.55 52.92 2jkr s ASP 176 Cb -0.17 -2.23 0.14 0.00 -0.00 0.00 0.00 42.92 40.65 2jkr s ASP 176 CO -0.16 -0.12 0.50 -0.69 -0.00 0.00 0.00 175.17 174.70 2jkr s VAL 177 N 1.56 5.05 -0.41 -1.27 1.01 0.37 -1.34 120.40 125.36 2jkr s VAL 177 Ca 0.18 -1.70 -0.13 0.00 0.00 0.00 0.00 61.98 60.33 2jkr s VAL 177 Cb -0.15 -4.23 0.04 0.00 0.00 0.00 0.00 36.38 32.03 2jkr s VAL 177 CO 0.08 -0.87 0.29 -0.76 0.00 0.00 0.00 175.10 173.84 2jkr s LEU 178 N 1.35 5.11 0.02 3.92 1.43 0.30 -0.79 118.68 130.02 2jkr s LEU 178 Ca 0.06 -1.07 0.07 0.00 -1.03 0.00 0.00 54.13 52.15 2jkr s LEU 178 Cb -0.27 -2.11 -0.03 0.00 0.03 0.00 0.00 46.19 43.81 2jkr s LEU 178 CO 0.01 -0.48 -0.20 -1.61 0.23 0.00 0.00 176.35 174.30 2jkr s GLU 179 N 1.61 2.11 -0.25 1.70 2.02 -0.46 -2.26 118.70 123.18 2jkr s GLU 179 Ca 0.04 -0.94 0.02 0.00 0.02 0.00 0.00 54.97 54.11 2jkr s GLU 179 Cb -0.21 -2.16 0.06 0.00 0.10 0.00 0.00 34.13 31.92 2jkr s GLU 179 CO 0.08 0.55 -0.10 0.45 0.02 0.00 0.00 175.26 176.26 2jkr s SER 180 N -1.15 4.20 -0.09 -0.19 0.15 -0.36 0.20 113.70 116.45 2jkr s SER 180 Ca 0.13 -1.29 -0.15 0.00 0.70 0.00 0.00 55.95 55.34 2jkr s SER 180 Cb -0.10 -1.44 -0.05 0.00 -1.71 0.00 0.00 66.02 62.72 2jkr s SER 180 CO 0.03 -0.19 0.37 0.54 1.20 0.00 0.00 173.24 175.19 2jkr s VAL 181 N 1.19 5.19 0.17 4.45 0.11 -0.57 -0.71 120.40 130.23 2jkr s VAL 181 Ca -0.07 0.74 0.10 0.00 -2.93 0.00 0.00 61.98 59.81 2jkr s VAL 181 Cb -0.19 -3.70 -0.04 0.00 -1.53 0.00 0.00 36.38 30.92 2jkr s VAL 181 CO -0.06 0.45 -0.16 0.20 -3.33 0.00 0.00 175.10 172.20 2jkr s ASN 182 N -0.09 3.92 -0.24 3.54 -0.87 -0.15 -0.50 114.94 120.55 2jkr s ASN 182 Ca 0.21 -0.66 -0.19 0.00 -1.57 0.00 0.00 52.86 50.66 2jkr s ASN 182 Cb -0.15 -0.54 0.07 0.00 -0.02 0.00 0.00 41.25 40.61 2jkr s ASN 182 CO 0.09 0.13 0.63 -0.22 -2.57 0.00 0.00 177.10 175.15 2jkr s LEU 183 N -2.62 -0.55 -0.22 0.60 2.96 -1.05 -2.37 118.68 115.43 2jkr s LEU 183 Ca 0.22 1.31 0.02 0.00 -0.22 0.00 0.00 54.13 55.46 2jkr s LEU 183 Cb -0.09 2.16 0.05 0.00 0.50 0.00 0.00 46.19 48.81 2jkr s LEU 183 CO 0.12 -0.22 -0.12 -0.22 -1.32 0.00 0.00 176.35 174.59 2jkr s LEU 184 N 0.84 2.75 -0.05 -0.68 2.96 -0.45 -0.94 118.68 123.11 2jkr s LEU 184 Ca -0.04 -1.08 0.02 0.00 -0.22 0.00 0.00 54.13 52.81 2jkr s LEU 184 Cb -0.05 -1.40 -0.03 0.00 0.50 0.00 0.00 46.19 45.21 2jkr s LEU 184 CO -0.07 -0.15 -0.07 -0.32 -1.32 0.00 0.00 176.35 174.43 2jkr s MET 185 N 1.26 2.69 0.66 1.98 -2.45 -0.60 -1.32 119.30 121.51 2jkr s MET 185 Ca -0.04 -0.59 -0.15 0.00 -1.25 0.00 0.00 55.69 53.66 2jkr s MET 185 Cb -0.17 -2.56 -0.00 0.00 1.25 0.00 0.00 34.83 33.34 2jkr s MET 185 CO -0.08 0.65 1.10 0.45 1.05 0.00 0.00 175.02 178.19 2jkr s SER 186 N -0.95 5.19 0.18 1.11 0.15 0.13 -0.81 113.70 118.70 2jkr s SER 186 Ca 0.13 1.95 -0.14 0.00 0.70 0.00 0.00 55.95 58.60 2jkr s SER 186 Cb -0.11 -2.54 0.17 0.00 -1.71 0.00 0.00 66.02 61.83 2jkr s SER 186 CO 0.03 -1.57 1.70 -0.65 1.20 0.00 0.00 173.24 173.94 2jkr h PRO 187 N 0.01 0.15 0.00 5.44 0.11 -1.89 0.56 132.00 136.37 2jkr h PRO 187 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2jkr h PRO 187 Cb 1.24 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2jkr h PRO 187 CO 0.55 0.10 0.00 1.04 -0.21 0.00 0.00 178.00 179.47 2jkr n GLN 188 N -5.19 0.19 0.00 1.05 3.00 -1.26 -4.63 117.38 110.54 2jkr n GLN 188 Ca 0.05 0.16 0.00 0.00 -0.01 0.00 0.00 57.00 57.20 2jkr n GLN 188 Cb 0.25 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.99 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 -0.13 1.06 3.69 1.08 0.00 0.19 -5.07 105.19 106.00 2jkr n GLY 189 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.05 4.38 -0.71 1.61 -1.52 -1.24 -4.79 119.66 117.32 2jkr s GLN 190 Ca 0.00 1.54 -0.26 0.00 -1.95 0.00 0.00 55.36 54.68 2jkr s GLN 190 Cb 0.00 -3.56 0.00 0.00 -0.22 0.00 0.00 33.01 29.24 2jkr s GLN 190 CO 0.00 -0.40 1.58 0.08 -0.25 0.00 0.00 175.29 176.30 2jkr s VAL 191 N 2.19 3.56 0.08 1.09 1.01 -1.26 0.17 120.40 127.24 2jkr s VAL 191 Ca 0.52 0.20 0.18 0.00 0.00 0.00 0.00 61.98 62.88 2jkr s VAL 191 Cb -0.21 -4.46 0.11 0.00 0.00 0.00 0.00 36.38 31.82 2jkr s VAL 191 CO 0.19 -1.41 1.65 -0.07 0.00 0.00 0.00 175.10 175.46 2jkr h LEU 192 N 14.75 0.00 -7.00 3.92 3.38 -1.56 -3.46 115.31 125.34 2jkr h LEU 192 Ca -0.22 0.00 0.09 0.00 0.09 0.00 0.00 57.88 57.84 2jkr h LEU 192 Cb 1.09 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.60 2jkr h LEU 192 CO 1.26 0.42 0.57 -0.94 0.09 0.00 0.00 178.44 179.84 2jkr s SER 193 N -6.44 -0.35 -0.14 -0.43 1.04 -1.06 -4.98 113.70 101.35 2jkr s SER 193 Ca 0.01 0.48 -0.30 0.00 0.48 0.00 0.00 55.95 56.62 2jkr s SER 193 Cb 0.10 0.42 0.11 0.00 0.10 0.00 0.00 66.02 66.75 2jkr s SER 193 CO 0.70 -0.26 0.89 0.00 0.98 0.00 0.00 173.24 175.55 2jkr s ALA 194 N -0.71 -1.88 -0.29 5.32 0.00 -1.26 -1.34 121.76 121.61 2jkr s ALA 194 Ca 0.01 1.53 -0.16 0.00 0.00 0.00 0.00 51.96 53.34 2jkr s ALA 194 Cb -0.02 -0.54 0.12 0.00 0.00 0.00 0.00 23.12 22.68 2jkr s ALA 194 CO -0.02 -0.32 0.87 -3.38 0.00 0.00 0.00 175.76 172.91 2jkr s HIS 195 N -1.00 -0.75 0.14 0.00 -3.43 -1.00 -4.65 115.29 104.59 2jkr s HIS 195 Ca -0.04 1.52 -0.25 0.00 -0.80 0.00 0.00 55.06 55.48 2jkr s HIS 195 Cb -0.01 0.45 -0.07 0.00 -1.43 0.00 0.00 32.58 31.52 2jkr s HIS 195 CO 0.04 -0.37 0.78 0.08 -2.00 0.00 0.00 174.74 173.27 2jkr s VAL 196 N 1.40 4.45 -0.23 -5.38 1.01 -0.53 -0.98 120.40 120.15 2jkr s VAL 196 Ca -0.09 1.71 -0.07 0.00 0.00 0.00 0.00 61.98 63.53 2jkr s VAL 196 Cb -0.04 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 2jkr s VAL 196 CO -0.16 0.48 0.06 -0.44 0.00 0.00 0.00 175.10 175.04 2jkr s SER 197 N -0.84 5.22 0.45 3.32 0.01 0.11 -2.09 113.70 119.88 2jkr s SER 197 Ca 0.37 -0.14 0.08 0.00 1.31 0.00 0.00 55.95 57.57 2jkr s SER 197 Cb -0.23 -1.92 0.00 0.00 0.21 0.00 0.00 66.02 64.09 2jkr s SER 197 CO 0.26 0.02 0.46 -0.83 0.41 0.00 0.00 173.24 173.56 2jkr s GLY 198 N 1.26 2.10 0.00 3.44 0.00 0.17 -1.23 107.32 113.06 2jkr s GLY 198 Ca 0.05 -1.80 0.00 0.00 0.00 0.00 0.00 44.72 42.97 2jkr s GLY 198 CO 0.03 -1.70 0.00 -2.13 0.00 0.00 0.00 173.10 169.30 2jkr n ARG 199 N -1.70 0.00 -3.70 2.90 0.63 -0.96 -3.17 116.66 110.66 2jkr n ARG 199 Ca 0.05 0.00 -0.38 0.00 -0.92 0.00 0.00 57.85 56.59 2jkr n ARG 199 Cb 0.62 0.00 -0.12 0.00 0.45 0.00 0.00 32.46 33.41 2jkr n ARG 199 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 2jkr s VAL 200 N 0.00 4.22 -0.19 5.15 1.01 -0.18 -0.54 120.40 129.88 2jkr s VAL 200 Ca 0.00 -0.76 -0.09 0.00 0.00 0.00 0.00 61.98 61.14 2jkr s VAL 200 Cb 0.00 -3.26 -0.05 0.00 0.00 0.00 0.00 36.38 33.08 2jkr s VAL 200 CO 0.00 -0.05 0.09 -0.69 0.00 0.00 0.00 175.10 174.46 2jkr s VAL 201 N 1.52 5.09 -0.17 2.92 1.01 -0.45 -1.67 120.40 128.65 2jkr s VAL 201 Ca 0.02 0.07 -0.04 0.00 0.00 0.00 0.00 61.98 62.04 2jkr s VAL 201 Cb -0.18 -3.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.87 2jkr s VAL 201 CO 0.04 0.45 -0.04 -0.32 0.00 0.00 0.00 175.10 175.24 2jkr s MET 202 N 0.36 3.60 -0.24 2.72 1.75 -0.73 -1.16 119.30 125.60 2jkr s MET 202 Ca 0.05 -0.55 -0.08 0.00 -1.25 0.00 0.00 55.69 53.87 2jkr s MET 202 Cb -0.12 -2.93 -0.04 0.00 2.84 0.00 0.00 34.83 34.58 2jkr s MET 202 CO -0.01 0.13 0.09 0.21 -0.65 0.00 0.00 175.02 174.79 2jkr s LYS 203 N 0.64 3.78 -0.29 4.11 2.20 -0.71 -0.51 119.74 128.97 2jkr s LYS 203 Ca -0.02 -0.42 0.01 0.00 -0.36 0.00 0.00 55.97 55.17 2jkr s LYS 203 Cb -0.14 -3.36 0.09 0.00 -1.51 0.00 0.00 37.83 32.91 2jkr s LYS 203 CO 0.02 -0.07 0.04 -1.54 -0.36 0.00 0.00 175.35 173.44 2jkr s SER 204 N 1.34 4.09 -1.00 1.43 1.04 0.42 0.35 113.70 121.37 2jkr s SER 204 Ca 0.05 -1.59 -0.02 0.00 0.48 0.00 0.00 55.95 54.88 2jkr s SER 204 Cb -0.15 -1.13 0.31 0.00 0.10 0.00 0.00 66.02 65.16 2jkr s SER 204 CO 0.04 -0.35 1.50 -1.22 0.98 0.00 0.00 173.24 174.19 2jkr n TYR 205 N 4.66 2.61 -4.12 5.02 0.53 -0.37 -1.63 117.16 123.87 2jkr n TYR 205 Ca -0.04 -2.78 -0.15 0.00 -1.02 0.00 0.00 57.90 53.91 2jkr n TYR 205 Cb 0.43 -1.13 -0.11 0.00 -1.03 0.00 0.00 39.34 37.49 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 -3.29 2.29 0.08 7.72 2.34 -1.24 -1.76 118.68 124.82 2jkr s LEU 206 Ca 0.35 -0.62 0.03 0.00 0.06 0.00 0.00 54.13 53.96 2jkr s LEU 206 Cb 0.11 -0.30 -0.04 0.00 -0.56 0.00 0.00 46.19 45.40 2jkr s LEU 206 CO 0.01 -0.17 0.07 -0.94 -1.06 0.00 0.00 176.35 174.26 2jkr s SER 207 N -1.79 5.48 0.00 1.48 1.04 -1.26 -4.91 113.70 113.74 2jkr s SER 207 Ca -0.05 -0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.35 2jkr s SER 207 Cb -0.09 -1.45 0.00 0.00 0.10 0.00 0.00 66.02 64.58 2jkr s SER 207 CO 0.01 0.17 0.00 0.61 0.98 0.00 0.00 173.24 175.01 2jkr n GLY 208 N 0.45 -1.80 2.95 7.32 0.00 -0.95 -4.64 105.19 108.52 2jkr n GLY 208 Ca -0.09 -1.90 -0.36 0.00 0.00 0.00 0.00 46.02 43.68 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 3.10 -3.09 1.61 0.00 -1.26 -4.67 117.12 112.81 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 -2.41 -0.06 0.00 0.00 0.00 0.00 33.22 30.75 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 -1.95 4.23 -0.31 2.12 0.04 -1.26 -4.80 135.00 133.07 2jkr s PRO 210 Ca 0.31 0.67 -0.21 0.00 0.04 0.00 0.00 61.00 61.81 2jkr s PRO 210 Cb 0.00 -3.57 -0.01 0.00 0.04 0.00 0.00 34.50 30.96 2jkr s PRO 210 CO -0.05 -0.24 0.68 -2.00 0.04 0.00 0.00 177.00 175.43 2jkr s GLU 211 N 1.92 3.91 -0.00 4.56 2.12 -0.28 -4.09 118.70 126.82 2jkr s GLU 211 Ca 0.30 0.37 0.06 0.00 0.36 0.00 0.00 54.97 56.06 2jkr s GLU 211 Cb -0.16 -3.73 -0.03 0.00 0.26 0.00 0.00 34.13 30.47 2jkr s GLU 211 CO 0.11 -0.61 -0.18 0.00 -0.54 0.00 0.00 175.26 174.04 2jkr s LYS 213 N -1.06 3.61 -0.49 0.00 2.20 0.05 -2.37 119.74 121.68 2jkr s LYS 213 Ca 0.13 -0.25 0.03 0.00 -0.36 0.00 0.00 55.97 55.52 2jkr s LYS 213 Cb -0.10 -3.16 0.14 0.00 -1.51 0.00 0.00 37.83 33.20 2jkr s LYS 213 CO 0.03 0.56 0.30 0.12 -0.36 0.00 0.00 175.35 175.99 2jkr s PHE 214 N -0.43 2.32 -0.00 4.03 5.99 -0.32 -1.35 117.98 128.21 2jkr s PHE 214 Ca 0.11 -2.67 -0.30 0.00 0.00 0.00 0.00 56.93 54.06 2jkr s PHE 214 Cb -0.12 -2.05 -0.03 0.00 0.00 0.00 0.00 43.02 40.82 2jkr s PHE 214 CO 0.02 -0.74 1.03 0.20 -0.00 0.00 0.00 175.22 175.73 2jkr s GLY 215 N -0.07 2.73 0.51 13.12 0.00 -0.52 -3.49 107.32 119.59 2jkr s GLY 215 Ca 0.20 0.58 0.02 0.00 0.00 0.00 0.00 44.72 45.52 2jkr s GLY 215 CO -0.05 1.80 0.05 -3.16 0.00 0.00 0.00 173.10 171.74 2jkr s MET 216 N 1.18 2.19 0.91 2.90 0.23 -1.26 -0.97 119.30 124.48 2jkr s MET 216 Ca 0.53 -2.35 -0.13 0.00 -1.03 0.00 0.00 55.69 52.71 2jkr s MET 216 Cb -0.22 -1.60 0.18 0.00 -1.53 0.00 0.00 34.83 31.65 2jkr s MET 216 CO 0.27 -0.37 1.26 0.54 -2.03 0.00 0.00 175.02 174.68 2jkr s ASN 217 N -3.92 3.43 0.00 -1.18 4.22 -1.05 -4.46 114.94 111.98 2jkr s ASN 217 Ca 0.10 0.21 0.00 0.00 -2.14 0.00 0.00 52.86 51.03 2jkr s ASN 217 Cb 0.02 -0.34 0.00 0.00 1.28 0.00 0.00 41.25 42.20 2jkr s ASN 217 CO 0.06 -2.52 0.00 -0.67 -2.04 0.00 0.00 177.10 171.92 2jkr n ASP 218 N -3.58 0.00 0.00 3.54 -0.08 -1.26 -4.64 116.55 110.53 2jkr n ASP 218 Ca 0.15 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.43 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 -4.00 -0.67 4.01 -1.26 -4.89 118.16 111.35 2jkr n LYS 219 Ca 0.00 0.00 -0.10 0.00 -0.51 0.00 0.00 58.31 57.70 2jkr n LYS 219 Cb 0.00 -2.96 -0.11 0.00 -0.51 0.00 0.00 35.03 31.45 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 -1.12 0.24 0.08 -0.18 1.01 -1.26 -4.91 121.20 115.06 2jkr s ILE 220 Ca 0.00 -0.93 0.02 0.00 0.00 0.00 0.00 60.65 59.74 2jkr s ILE 220 Cb 0.00 -0.36 -0.03 0.00 0.01 0.00 0.00 42.46 42.08 2jkr s ILE 220 CO 0.00 -0.44 -0.08 -0.69 0.00 0.00 0.00 174.94 173.73 2jkr s VAL 221 N -1.38 0.71 0.26 2.92 1.01 -1.26 -5.15 120.40 117.52 2jkr s VAL 221 Ca -0.14 -1.56 -0.30 0.00 0.00 0.00 0.00 61.98 59.98 2jkr s VAL 221 Cb -0.10 -1.23 -0.09 0.00 0.00 0.00 0.00 36.38 34.96 2jkr s VAL 221 CO -0.01 -0.62 1.06 -0.63 0.00 0.00 0.00 175.10 174.90 2jkr s ILE 222 N -2.53 3.66 0.23 2.22 1.09 -1.26 -4.77 121.20 119.84 2jkr s ILE 222 Ca 0.03 1.66 -0.13 0.00 -1.10 0.00 0.00 60.65 61.10 2jkr s ILE 222 Cb -0.02 -4.06 0.00 0.00 -1.06 0.00 0.00 42.46 37.32 2jkr s ILE 222 CO -0.02 0.39 0.48 -1.61 -0.10 0.00 0.00 174.94 174.08 2jkr s GLU 232 N -1.32 1.50 -0.03 2.79 0.41 -1.26 -5.05 118.70 115.74 2jkr s GLU 232 Ca 0.44 -1.18 0.04 0.00 -0.41 0.00 0.00 54.97 53.86 2jkr s GLU 232 Cb -0.30 0.48 -0.01 0.00 -1.78 0.00 0.00 34.13 32.52 2jkr s GLU 232 CO 0.38 -0.62 -0.15 0.95 -0.49 0.00 0.00 175.26 175.33 2jkr s THR 233 N -3.99 1.24 -1.07 3.63 -4.23 -1.26 -5.07 115.64 104.89 2jkr s THR 233 Ca 0.20 -0.64 -0.23 0.00 -1.18 0.00 0.00 61.69 59.84 2jkr s THR 233 Cb -0.01 -1.06 -0.03 0.00 1.34 0.00 0.00 72.50 72.75 2jkr s THR 233 CO 0.07 0.36 1.83 -0.94 -0.54 0.00 0.00 174.62 175.40 2jkr s SER 234 N -0.12 5.56 0.00 3.99 1.04 -1.26 -4.67 113.70 118.24 2jkr s SER 234 Ca 0.01 -1.38 0.00 0.00 0.48 0.00 0.00 55.95 55.06 2jkr s SER 234 Cb -0.09 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.46 2jkr s SER 234 CO 0.01 -2.44 0.00 1.17 0.98 0.00 0.00 173.24 172.96 2jkr n LYS 235 N 8.61 0.00 -2.84 4.02 4.81 -1.26 -4.93 118.16 126.58 2jkr n LYS 235 Ca 0.42 0.00 -0.07 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 0.53 -0.14 0.00 3.14 7.64 -1.26 -5.16 113.62 118.37 2jkr n SER 236 Ca 0.00 -1.82 0.00 0.00 1.01 0.00 0.00 58.87 58.06 2jkr n SER 236 Cb 0.00 0.60 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 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 -0.11 2.25 3.44 0.23 0.00 -1.26 -5.04 105.19 104.70 2jkr n GLY 237 Ca 0.02 -1.81 0.01 0.00 0.00 0.00 0.00 46.02 44.25 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 -3.60 0.27 -1.43 1.61 2.20 -1.26 -4.82 119.74 112.71 2jkr s LYS 238 Ca 0.00 0.63 -0.09 0.00 -0.36 0.00 0.00 55.97 56.15 2jkr s LYS 238 Cb 0.00 0.32 0.02 0.00 -1.51 0.00 0.00 37.83 36.66 2jkr s LYS 238 CO 0.00 -0.08 1.00 1.04 -0.36 0.00 0.00 175.35 176.95 2jkr n GLN 239 N 4.61 -6.72 -3.86 4.03 6.02 -1.26 -5.02 117.38 115.18 2jkr n GLN 239 Ca -0.11 0.80 -0.12 0.00 -0.01 0.00 0.00 57.00 57.56 2jkr n GLN 239 Cb 0.54 -5.77 -0.14 0.00 1.02 0.00 0.00 30.24 25.89 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 -3.16 -0.03 -0.19 1.08 1.04 -1.26 -5.14 113.70 106.04 2jkr s SER 240 Ca 0.53 0.06 -0.22 0.00 0.48 0.00 0.00 55.95 56.80 2jkr s SER 240 Cb -0.24 0.06 -0.02 0.00 0.10 0.00 0.00 66.02 65.92 2jkr s SER 240 CO 0.66 -0.01 0.69 -0.63 0.98 0.00 0.00 173.24 174.93 2jkr s ILE 241 N 0.01 4.98 -0.12 -1.02 1.09 -1.26 -4.97 121.20 119.91 2jkr s ILE 241 Ca -0.00 1.33 -0.30 0.00 -1.10 0.00 0.00 60.65 60.58 2jkr s ILE 241 Cb -0.00 -4.01 -0.02 0.00 -1.06 0.00 0.00 42.46 37.37 2jkr s ILE 241 CO 0.00 0.08 1.20 0.00 -0.10 0.00 0.00 174.94 176.12 2jkr s ALA 242 N 1.99 3.57 -0.10 9.38 0.00 -1.26 -5.02 121.76 130.32 2jkr s ALA 242 Ca 0.32 0.50 0.01 0.00 0.00 0.00 0.00 51.96 52.79 2jkr s ALA 242 Cb -0.16 -3.55 -0.02 0.00 0.00 0.00 0.00 23.12 19.38 2jkr s ALA 242 CO 0.11 -0.93 -0.12 0.96 0.00 0.00 0.00 175.76 175.77 2jkr s ILE 243 N 2.78 3.18 0.65 0.00 -5.25 -1.26 -4.90 121.20 116.40 2jkr s ILE 243 Ca 0.54 -0.64 -0.17 0.00 -0.99 0.00 0.00 60.65 59.38 2jkr s ILE 243 Cb -0.22 -2.31 -0.01 0.00 2.95 0.00 0.00 42.46 42.88 2jkr s ILE 243 CO 0.18 0.55 1.23 -1.81 -1.79 0.00 0.00 174.94 173.30 2jkr s ASP 244 N -0.15 4.71 0.14 4.36 1.11 -1.26 -4.88 116.67 120.69 2jkr s ASP 244 Ca -0.00 2.44 -0.11 0.00 0.18 0.00 0.00 52.55 55.07 2jkr s ASP 244 Cb -0.13 -2.60 0.04 0.00 1.07 0.00 0.00 42.92 41.29 2jkr s ASP 244 CO 0.03 -1.92 0.53 -0.67 1.18 0.00 0.00 175.17 174.32 2jkr n ASP 245 N -2.04 -1.05 -3.64 0.27 4.64 -0.71 -4.98 116.55 109.03 2jkr n ASP 245 Ca 0.14 -1.62 -0.05 0.00 -1.38 0.00 0.00 54.79 51.89 2jkr n ASP 245 Cb 0.49 1.73 -0.07 0.00 -1.04 0.00 0.00 41.12 42.23 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 0.23 -0.16 0.62 0.00 2.01 0.04 -4.99 115.64 113.38 2jkr s THR 247 Ca 0.04 0.29 0.05 0.00 0.31 0.00 0.00 61.69 62.38 2jkr s THR 247 Cb -0.05 -0.29 0.10 0.00 0.01 0.00 0.00 72.50 72.27 2jkr s THR 247 CO -0.12 0.08 0.85 -0.36 -0.69 0.00 0.00 174.62 174.38 2jkr s PHE 248 N 2.21 1.64 0.63 4.92 0.40 -1.26 -0.62 117.98 125.90 2jkr s PHE 248 Ca 0.04 -0.50 -0.11 0.00 -0.60 0.00 0.00 56.93 55.76 2jkr s PHE 248 Cb -0.13 -2.55 -0.03 0.00 0.51 0.00 0.00 43.02 40.82 2jkr s PHE 248 CO -0.05 -1.31 1.04 -1.58 0.70 0.00 0.00 175.22 174.01 2jkr s HIS 249 N -2.83 3.58 0.24 0.36 2.46 -1.00 -4.91 115.29 113.18 2jkr s HIS 249 Ca 0.63 1.25 -0.06 0.00 0.47 0.00 0.00 55.06 57.35 2jkr s HIS 249 Cb -0.06 -2.76 0.34 0.00 -0.13 0.00 0.00 32.58 29.96 2jkr s HIS 249 CO 0.41 -0.75 1.82 1.96 -2.47 0.00 0.00 174.74 175.71 2jkr h GLN 250 N -0.36 0.81 0.00 2.88 1.08 -1.93 -1.84 115.11 115.75 2jkr h GLN 250 Ca -0.44 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 56.71 2jkr h GLN 250 Cb 1.20 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 28.45 2jkr h GLN 250 CO 0.62 0.53 0.00 0.00 -0.95 0.00 0.00 178.83 179.04 2jkr s VAL 252 N -2.21 4.61 -0.42 0.00 1.01 -0.69 -3.32 120.40 119.38 2jkr s VAL 252 Ca 0.24 1.04 -0.27 0.00 0.00 0.00 0.00 61.98 62.99 2jkr s VAL 252 Cb 0.12 -4.31 0.02 0.00 0.00 0.00 0.00 36.38 32.22 2jkr s VAL 252 CO 0.24 -0.55 0.98 -0.13 0.00 0.00 0.00 175.10 175.64 2jkr s ARG 253 N 3.40 3.73 0.00 2.72 1.81 0.25 -4.90 118.95 125.96 2jkr s ARG 253 Ca 0.36 0.47 0.10 0.00 -1.72 0.00 0.00 55.73 54.95 2jkr s ARG 253 Cb -0.12 -3.86 0.31 0.00 -0.45 0.00 0.00 34.95 30.82 2jkr s ARG 253 CO 0.19 -1.13 1.25 1.28 -0.68 0.00 0.00 175.30 176.21 2jkr n LEU 254 N 7.15 1.63 -0.13 2.53 4.77 -1.26 -2.26 117.00 129.44 2jkr n LEU 254 Ca 0.08 -0.81 -0.03 0.00 -0.03 0.00 0.00 56.01 55.22 2jkr n LEU 254 Cb 0.48 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.34 2jkr n LEU 254 CO 0.63 0.40 0.25 -0.24 -1.33 0.00 0.00 177.39 177.11 2jkr n SER 255 N 0.39 -0.32 -2.18 -1.43 2.88 -1.26 -2.47 113.62 109.23 2jkr n SER 255 Ca 0.11 0.75 -0.30 0.00 -1.33 0.00 0.00 58.87 58.10 2jkr n SER 255 Cb 0.26 -0.18 0.07 0.00 -0.75 0.00 0.00 64.21 63.62 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 -3.76 2.94 0.24 -1.46 5.02 -1.26 -4.66 118.16 115.22 2jkr n LYS 256 Ca 0.01 -3.56 0.14 0.00 -2.02 0.00 0.00 58.31 52.87 2jkr n LYS 256 Cb 0.08 -2.26 0.35 0.00 -0.02 0.00 0.00 35.03 33.17 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 1.98 0.00 -0.00 2.13 3.57 -1.64 -2.24 116.94 120.73 2jkr h PHE 257 Ca 0.52 0.00 0.00 0.00 3.53 0.00 0.00 57.97 62.02 2jkr h PHE 257 Cb 1.16 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.90 2jkr h PHE 257 CO 1.24 0.00 -0.02 -0.25 -2.23 0.00 0.00 178.31 177.05 2jkr n ASP 258 N -3.09 0.47 -4.01 0.41 8.00 -1.26 -3.91 116.55 113.17 2jkr n ASP 258 Ca 0.03 -1.02 -0.36 0.00 0.71 0.00 0.00 54.79 54.15 2jkr n ASP 258 Cb 0.45 -0.03 -0.06 0.00 -0.02 0.00 0.00 41.12 41.47 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 -0.69 4.39 0.00 -2.24 2.88 -0.84 -4.51 113.62 112.60 2jkr n SER 259 Ca 0.21 -3.21 0.00 0.00 -1.33 0.00 0.00 58.87 54.54 2jkr n SER 259 Cb 0.21 -1.02 0.00 0.00 -0.75 0.00 0.00 64.21 62.64 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 2.00 0.00 0.00 -1.46 -0.58 -1.25 -3.95 120.64 115.39 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 0.54 -0.48 0.00 0.00 177.13 177.19 2jkr n ARG 261 N 0.00 0.00 -1.68 3.49 1.74 -1.25 -4.75 116.66 114.20 2jkr n ARG 261 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2jkr n ARG 261 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2jkr n ARG 261 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2jkr n SER 262 N -2.31 0.00 -4.55 0.55 7.64 -1.25 -4.14 113.62 109.54 2jkr n SER 262 Ca 0.00 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.50 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 -1.63 3.19 -0.08 0.44 1.09 -1.23 -4.20 121.20 118.79 2jkr s ILE 263 Ca 0.00 0.11 -0.12 0.00 -1.10 0.00 0.00 60.65 59.54 2jkr s ILE 263 Cb 0.00 -3.48 -0.05 0.00 -1.06 0.00 0.00 42.46 37.87 2jkr s ILE 263 CO 0.00 -0.46 0.30 -0.44 -0.10 0.00 0.00 174.94 174.25 2jkr s SER 264 N 9.96 6.60 0.22 3.58 0.01 -0.96 -1.17 113.70 131.95 2jkr s SER 264 Ca 0.82 0.71 -0.22 0.00 1.31 0.00 0.00 55.95 58.57 2jkr s SER 264 Cb -0.15 -2.18 0.04 0.00 0.21 0.00 0.00 66.02 63.93 2jkr s SER 264 CO 0.24 0.29 0.76 0.72 0.41 0.00 0.00 173.24 175.66 2jkr s PHE 265 N -0.67 -0.24 -0.34 2.43 -0.12 -1.00 0.86 117.98 118.90 2jkr s PHE 265 Ca 0.19 -0.14 0.01 0.00 -0.05 0.00 0.00 56.93 56.95 2jkr s PHE 265 Cb -0.14 0.67 0.11 0.00 -0.63 0.00 0.00 43.02 43.02 2jkr s PHE 265 CO 0.08 -1.07 0.11 0.42 -0.05 0.00 0.00 175.22 174.71 2jkr s ILE 266 N -3.73 1.39 0.08 -4.49 1.09 -1.21 -1.63 121.20 112.70 2jkr s ILE 266 Ca 0.09 -1.88 -0.31 0.00 -1.10 0.00 0.00 60.65 57.45 2jkr s ILE 266 Cb -0.04 -2.03 -0.07 0.00 -1.06 0.00 0.00 42.46 39.26 2jkr s ILE 266 CO 0.02 -0.69 1.30 -2.16 -0.10 0.00 0.00 174.94 173.31 2jkr s PRO 267 N 1.18 4.37 1.02 2.79 0.05 -1.26 -4.83 135.00 138.32 2jkr s PRO 267 Ca 0.11 1.92 -0.17 0.00 0.05 0.00 0.00 61.00 62.91 2jkr s PRO 267 Cb -0.19 -3.32 -0.01 0.00 0.05 0.00 0.00 34.50 31.04 2jkr s PRO 267 CO -0.16 -0.36 -0.17 -2.30 0.05 0.00 0.00 177.00 174.06 2jkr n PRO 268 N 4.03 -0.58 -2.92 0.56 -0.02 -1.26 -4.88 135.00 129.93 2jkr n PRO 268 Ca 0.10 -0.15 -0.35 0.00 -2.02 0.00 0.00 63.50 61.08 2jkr n PRO 268 Cb 0.44 -1.55 -0.06 0.00 -0.02 0.00 0.00 33.50 32.31 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 -1.66 7.11 0.14 2.55 3.68 -1.26 -4.80 116.67 122.44 2jkr s ASP 269 Ca 0.51 1.63 0.00 0.00 2.13 0.00 0.00 52.55 56.82 2jkr s ASP 269 Cb -0.14 -2.50 0.00 0.00 -1.45 0.00 0.00 42.92 38.83 2jkr s ASP 269 CO 0.70 -0.12 0.00 0.61 0.13 0.00 0.00 175.17 176.49 2jkr n GLY 270 N 0.25 -0.08 3.78 2.66 0.00 -0.65 -4.84 105.19 106.31 2jkr n GLY 270 Ca 0.02 -1.02 -0.39 0.00 0.00 0.00 0.00 46.02 44.63 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 4.27 0.23 1.61 2.12 -1.26 -0.44 118.70 125.23 2jkr s GLU 271 Ca 0.00 0.74 -0.16 0.00 0.36 0.00 0.00 54.97 55.91 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 0.49 0.54 -0.59 -0.54 0.00 0.00 175.26 175.16 2jkr s PHE 272 N -0.62 0.06 -0.51 5.30 -0.12 0.33 -4.97 117.98 117.45 2jkr s PHE 272 Ca 0.30 -0.43 -0.16 0.00 -0.05 0.00 0.00 56.93 56.58 2jkr s PHE 272 Cb -0.19 0.36 0.09 0.00 -0.63 0.00 0.00 43.02 42.66 2jkr s PHE 272 CO 0.18 -1.00 0.49 -2.00 -0.05 0.00 0.00 175.22 172.84 2jkr s GLU 273 N -3.94 3.00 0.25 1.99 2.12 -1.26 -1.78 118.70 119.08 2jkr s GLU 273 Ca 0.15 -1.42 0.01 0.00 0.36 0.00 0.00 54.97 54.07 2jkr s GLU 273 Cb -0.02 -4.20 0.29 0.00 0.26 0.00 0.00 34.13 30.47 2jkr s GLU 273 CO 0.03 -1.20 1.63 1.25 -0.54 0.00 0.00 175.26 176.43 2jkr h LEU 274 N 9.02 0.50 -7.00 2.70 5.85 -1.67 -3.38 115.31 121.33 2jkr h LEU 274 Ca -0.29 -0.21 0.08 0.00 0.84 0.00 0.00 57.88 58.30 2jkr h LEU 274 Cb 1.10 -0.14 -0.26 0.00 0.37 0.00 0.00 40.66 41.73 2jkr h LEU 274 CO 0.96 0.84 0.51 0.00 -0.34 0.00 0.00 178.44 180.42 2jkr s MET 275 N -4.24 0.48 -0.12 1.25 0.23 -1.18 -2.38 119.30 113.34 2jkr s MET 275 Ca -0.07 0.46 -0.01 0.00 -1.03 0.00 0.00 55.69 55.05 2jkr s MET 275 Cb 0.13 0.23 0.03 0.00 -1.53 0.00 0.00 34.83 33.69 2jkr s MET 275 CO 0.81 -0.08 -0.06 0.50 -2.03 0.00 0.00 175.02 174.16 2jkr s ARG 276 N -0.05 1.37 0.07 3.16 3.52 0.21 -1.01 118.95 126.24 2jkr s ARG 276 Ca 0.03 -0.25 0.02 0.00 -0.13 0.00 0.00 55.73 55.40 2jkr s ARG 276 Cb -0.04 -1.58 -0.01 0.00 -1.56 0.00 0.00 34.95 31.77 2jkr s ARG 276 CO -0.06 -0.30 0.06 2.48 -0.81 0.00 0.00 175.30 176.67 2jkr n TYR 277 N 4.96 -0.13 -3.40 5.12 0.18 -1.19 -0.78 117.16 121.92 2jkr n TYR 277 Ca -0.12 -0.60 0.02 0.00 1.88 0.00 0.00 57.90 59.08 2jkr n TYR 277 Cb 0.50 0.05 -0.04 0.00 -0.38 0.00 0.00 39.34 39.47 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 -2.30 0.30 0.16 -3.48 1.70 -1.21 0.46 118.95 114.57 2jkr s ARG 278 Ca 0.08 0.74 0.04 0.00 -0.47 0.00 0.00 55.73 56.12 2jkr s ARG 278 Cb 0.00 0.45 -0.04 0.00 -0.57 0.00 0.00 34.95 34.80 2jkr s ARG 278 CO 0.06 -0.11 0.22 -0.08 -1.08 0.00 0.00 175.30 174.31 2jkr s THR 279 N 2.47 4.95 0.00 4.99 -1.32 -0.89 -1.73 115.64 124.11 2jkr s THR 279 Ca -0.02 -0.89 0.00 0.00 -1.21 0.00 0.00 61.69 59.57 2jkr s THR 279 Cb -0.06 -3.55 0.00 0.00 -1.51 0.00 0.00 72.50 67.38 2jkr s THR 279 CO -0.17 -0.12 0.14 0.35 -2.21 0.00 0.00 174.62 172.61 2jkr n THR 280 N -0.53 0.00 0.00 5.08 -2.24 -1.26 -1.45 114.28 113.88 2jkr n THR 280 Ca -0.08 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 2jkr n THR 280 Cb 0.55 1.28 0.00 0.00 -2.10 0.00 0.00 70.33 70.06 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 -0.22 0.00 -1.72 -0.78 5.02 -1.26 -4.73 118.16 114.46 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 0.07 0.00 -0.01 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 7.79 -4.74 4.39 8.00 -1.26 -4.92 116.55 125.81 2jkr n ASP 282 Ca 0.00 -2.88 -0.41 0.00 0.71 0.00 0.00 54.79 52.21 2jkr n ASP 282 Cb 0.00 -1.47 -0.05 0.00 -0.02 0.00 0.00 41.12 39.58 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 0.66 4.20 -1.20 0.53 1.01 -1.26 -4.67 121.20 120.46 2jkr s ILE 283 Ca 0.59 2.01 -0.10 0.00 0.00 0.00 0.00 60.65 63.14 2jkr s ILE 283 Cb 0.17 -4.28 0.21 0.00 0.01 0.00 0.00 42.46 38.57 2jkr s ILE 283 CO -0.07 0.40 1.53 -0.38 0.00 0.00 0.00 174.94 176.42 2jkr n ILE 284 N 2.10 4.52 -1.68 2.92 2.08 0.01 -5.01 119.36 124.31 2jkr n ILE 284 Ca 0.00 -4.94 -0.55 0.00 0.56 0.00 0.00 62.75 57.83 2jkr n ILE 284 Cb 0.48 -2.39 -0.06 0.00 -0.75 0.00 0.00 39.64 36.91 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 3.84 2.33 0.14 1.39 4.77 -1.26 -4.73 117.00 123.49 2jkr n LEU 285 Ca 0.34 1.08 0.00 0.00 -0.03 0.00 0.00 56.01 57.40 2jkr n LEU 285 Cb 0.38 -1.19 0.16 0.00 -2.33 0.00 0.00 43.42 40.44 2jkr n LEU 285 CO 0.68 -0.55 0.49 -0.65 -1.33 0.00 0.00 177.39 176.03 2jkr h PRO 286 N 6.69 0.00 -4.19 3.23 0.11 -1.94 -3.45 132.00 132.44 2jkr h PRO 286 Ca -0.47 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.29 2jkr h PRO 286 Cb 1.32 0.00 -0.30 0.00 0.11 0.00 0.00 31.00 32.12 2jkr h PRO 286 CO 0.91 0.60 -0.76 -0.06 -0.21 0.00 0.00 178.00 178.48 2jkr s PHE 287 N -3.38 0.52 -0.16 0.65 0.40 -1.26 -2.15 117.98 112.60 2jkr s PHE 287 Ca 0.00 -0.10 -0.12 0.00 -0.60 0.00 0.00 56.93 56.11 2jkr s PHE 287 Cb 0.11 -0.40 -0.05 0.00 0.51 0.00 0.00 43.02 43.19 2jkr s PHE 287 CO 0.75 -0.06 0.24 0.50 0.70 0.00 0.00 175.22 177.34 2jkr s ARG 288 N 0.24 4.15 -0.27 0.44 3.52 -0.17 -4.95 118.95 121.90 2jkr s ARG 288 Ca -0.02 0.00 -0.11 0.00 -0.13 0.00 0.00 55.73 55.47 2jkr s ARG 288 Cb -0.06 -3.39 -0.05 0.00 -1.56 0.00 0.00 34.95 29.89 2jkr s ARG 288 CO -0.00 0.33 0.19 0.08 -0.81 0.00 0.00 175.30 175.09 2jkr s VAL 289 N 0.22 5.31 -0.49 7.11 1.01 -1.26 -1.16 120.40 131.14 2jkr s VAL 289 Ca 0.14 0.19 -0.13 0.00 0.00 0.00 0.00 61.98 62.19 2jkr s VAL 289 Cb -0.12 -3.53 0.12 0.00 0.00 0.00 0.00 36.38 32.84 2jkr s VAL 289 CO 0.03 0.26 0.40 -0.63 0.00 0.00 0.00 175.10 175.16 2jkr s ILE 290 N 1.68 4.72 -0.36 2.22 1.01 -0.52 -4.94 121.20 125.00 2jkr s ILE 290 Ca 0.07 -1.56 -0.16 0.00 0.00 0.00 0.00 60.65 59.00 2jkr s ILE 290 Cb -0.16 -4.02 -0.00 0.00 0.01 0.00 0.00 42.46 38.29 2jkr s ILE 290 CO 0.10 -0.77 0.42 -2.16 0.00 0.00 0.00 174.94 172.53 2jkr s PRO 291 N 1.49 3.47 -0.93 2.79 0.05 -1.26 -2.11 135.00 138.50 2jkr s PRO 291 Ca 0.04 -0.43 -0.07 0.00 0.05 0.00 0.00 61.00 60.59 2jkr s PRO 291 Cb -0.27 -3.84 0.23 0.00 0.05 0.00 0.00 34.50 30.67 2jkr s PRO 291 CO 0.02 -0.64 0.86 -0.51 0.05 0.00 0.00 177.00 176.78 2jkr s LEU 292 N 2.15 6.03 0.00 -3.56 1.43 0.58 -4.96 118.68 120.34 2jkr s LEU 292 Ca 0.14 -3.38 -0.13 0.00 -1.03 0.00 0.00 54.13 49.72 2jkr s LEU 292 Cb -0.16 -2.07 0.19 0.00 0.03 0.00 0.00 46.19 44.18 2jkr s LEU 292 CO 0.13 -0.32 0.78 0.55 0.23 0.00 0.00 176.35 177.72 2jkr n VAL 293 N 2.91 0.00 0.00 -1.59 3.14 -1.26 -1.31 118.33 120.22 2jkr n VAL 293 Ca 0.19 -0.40 0.00 0.00 -2.96 0.00 0.00 64.34 61.17 2jkr n VAL 293 Cb 0.40 -1.27 0.00 0.00 -1.06 0.00 0.00 33.84 31.91 2jkr n VAL 293 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 2jkr n ARG 294 N -3.57 0.00 -2.98 1.45 3.00 -1.17 -4.90 116.66 108.49 2jkr n ARG 294 Ca 0.10 0.00 -0.44 0.00 -0.00 0.00 0.00 57.85 57.52 2jkr n ARG 294 Cb 0.40 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 32.81 2jkr n ARG 294 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2jkr s GLU 295 N 0.00 3.11 -1.12 -0.14 2.02 -1.26 -2.31 118.70 118.99 2jkr s GLU 295 Ca 0.00 -0.95 -0.17 0.00 0.02 0.00 0.00 54.97 53.87 2jkr s GLU 295 Cb 0.00 -4.21 0.13 0.00 0.10 0.00 0.00 34.13 30.16 2jkr s GLU 295 CO 0.00 -1.62 1.39 0.54 0.02 0.00 0.00 175.26 175.59 2jkr s VAL 296 N 3.41 4.72 0.00 2.63 0.11 -1.17 -4.91 120.40 125.20 2jkr s VAL 296 Ca 0.18 -2.07 0.00 0.00 -2.93 0.00 0.00 61.98 57.17 2jkr s VAL 296 Cb -0.19 -4.92 0.00 0.00 -1.53 0.00 0.00 36.38 29.73 2jkr s VAL 296 CO 0.10 -1.67 0.00 0.61 -3.33 0.00 0.00 175.10 170.81 2jkr n GLY 297 N 4.93 -0.45 0.12 6.54 0.00 -1.26 -3.29 105.19 111.79 2jkr n GLY 297 Ca 0.34 -0.59 0.14 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.08 0.63 0.00 1.61 1.74 -1.26 -4.33 116.66 113.97 2jkr n ARG 298 Ca 0.00 -0.24 0.00 0.00 -0.77 0.00 0.00 57.85 56.84 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 -0.97 0.00 -4.27 0.55 5.66 -1.24 -4.69 114.28 109.31 2jkr n THR 299 Ca 0.13 0.99 -0.29 0.00 -3.05 0.00 0.00 64.05 61.84 2jkr n THR 299 Cb 0.29 -1.87 -0.04 0.00 -1.55 0.00 0.00 70.33 67.17 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 -1.57 2.23 -0.22 1.09 -2.85 -1.21 -0.83 119.74 116.38 2jkr s LYS 300 Ca 0.00 -2.16 -0.04 0.00 -1.00 0.00 0.00 55.97 52.77 2jkr s LYS 300 Cb 0.00 -1.85 0.12 0.00 -2.06 0.00 0.00 37.83 34.03 2jkr s LYS 300 CO 0.00 -0.46 0.37 -1.17 0.10 0.00 0.00 175.35 174.19 2jkr s LEU 301 N -4.08 -0.58 -0.36 2.77 2.96 -0.85 -3.03 118.68 115.52 2jkr s LEU 301 Ca 0.23 0.40 -0.11 0.00 -0.22 0.00 0.00 54.13 54.43 2jkr s LEU 301 Cb 0.00 1.10 0.01 0.00 0.50 0.00 0.00 46.19 47.80 2jkr s LEU 301 CO 0.14 -0.28 0.20 -1.83 -1.32 0.00 0.00 176.35 173.26 2jkr s GLU 302 N 2.54 3.03 -0.14 1.98 -1.05 -0.98 -1.32 118.70 122.76 2jkr s GLU 302 Ca 0.08 -0.94 -0.05 0.00 -0.15 0.00 0.00 54.97 53.91 2jkr s GLU 302 Cb -0.14 -3.71 -0.04 0.00 -0.44 0.00 0.00 34.13 29.80 2jkr s GLU 302 CO -0.14 -0.60 0.04 0.08 0.95 0.00 0.00 175.26 175.58 2jkr s VAL 303 N 1.59 4.63 -0.09 1.83 1.01 -0.10 -3.07 120.40 126.20 2jkr s VAL 303 Ca 0.03 -0.11 0.03 0.00 0.00 0.00 0.00 61.98 61.93 2jkr s VAL 303 Cb -0.18 -3.02 0.01 0.00 0.00 0.00 0.00 36.38 33.18 2jkr s VAL 303 CO 0.07 0.53 -0.17 -0.75 0.00 0.00 0.00 175.10 174.79 2jkr s LYS 304 N -0.24 2.29 -0.08 2.72 2.20 -0.43 0.05 119.74 126.26 2jkr s LYS 304 Ca 0.07 -0.61 0.02 0.00 -0.36 0.00 0.00 55.97 55.09 2jkr s LYS 304 Cb -0.12 -1.84 0.01 0.00 -1.51 0.00 0.00 37.83 34.37 2jkr s LYS 304 CO 0.02 0.05 -0.13 0.08 -0.36 0.00 0.00 175.35 175.00 2jkr s VAL 305 N 0.66 1.24 -0.01 4.02 1.01 -0.26 -0.31 120.40 126.75 2jkr s VAL 305 Ca -0.14 -0.52 -0.01 0.00 0.00 0.00 0.00 61.98 61.32 2jkr s VAL 305 Cb -0.16 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 2jkr s VAL 305 CO 0.04 0.38 0.07 -0.69 0.00 0.00 0.00 175.10 174.90 2jkr s VAL 306 N 0.80 4.70 -0.10 2.92 1.01 -0.90 -0.60 120.40 128.23 2jkr s VAL 306 Ca -0.12 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 61.51 2jkr s VAL 306 Cb -0.15 -3.13 0.01 0.00 0.00 0.00 0.00 36.38 33.11 2jkr s VAL 306 CO 0.02 0.38 -0.18 0.27 0.00 0.00 0.00 175.10 175.59 2jkr s ILE 307 N -1.16 1.65 -0.28 2.22 -4.36 0.81 -1.44 121.20 118.64 2jkr s ILE 307 Ca 0.22 -0.76 -0.06 0.00 -0.26 0.00 0.00 60.65 59.78 2jkr s ILE 307 Cb -0.12 -1.47 0.01 0.00 1.25 0.00 0.00 42.46 42.13 2jkr s ILE 307 CO 0.12 0.47 0.06 -0.75 0.24 0.00 0.00 174.94 175.08 2jkr s LYS 308 N 0.66 3.12 0.20 0.37 2.20 -0.31 -1.62 119.74 124.36 2jkr s LYS 308 Ca -0.13 -0.83 -0.27 0.00 -0.36 0.00 0.00 55.97 54.38 2jkr s LYS 308 Cb -0.16 -3.30 -0.08 0.00 -1.51 0.00 0.00 37.83 32.77 2jkr s LYS 308 CO 0.03 -0.40 0.85 -1.54 -0.36 0.00 0.00 175.35 173.93 2jkr s SER 309 N 1.49 7.51 -0.07 1.43 1.04 -0.84 -1.00 113.70 123.25 2jkr s SER 309 Ca 0.03 1.78 0.19 0.00 0.48 0.00 0.00 55.95 58.43 2jkr s SER 309 Cb -0.17 -2.55 0.34 0.00 0.10 0.00 0.00 66.02 63.75 2jkr s SER 309 CO 0.01 0.19 1.15 -0.46 0.98 0.00 0.00 173.24 175.11 2jkr n ASN 310 N 1.53 0.45 -4.19 7.02 0.23 -0.92 -2.61 115.26 116.78 2jkr n ASN 310 Ca -0.04 -2.02 -0.26 0.00 -0.53 0.00 0.00 54.58 51.73 2jkr n ASN 310 Cb 0.48 -0.12 0.16 0.00 -2.08 0.00 0.00 39.78 38.22 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 0.05 -3.49 -1.80 -2.53 1.16 -1.26 -4.86 117.46 104.73 2jkr n PHE 311 Ca -0.03 -1.45 -0.38 0.00 -1.87 0.00 0.00 57.45 53.72 2jkr n PHE 311 Cb 0.97 -0.88 0.04 0.00 -1.61 0.00 0.00 39.48 38.00 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 -5.50 3.08 0.48 3.97 2.20 -1.26 -3.17 119.74 119.54 2jkr s LYS 312 Ca 0.70 2.19 0.26 0.00 -0.36 0.00 0.00 55.97 58.76 2jkr s LYS 312 Cb -0.03 -2.20 1.17 0.00 -1.51 0.00 0.00 37.83 35.26 2jkr s LYS 312 CO 0.48 -1.22 1.94 -1.35 -0.36 0.00 0.00 175.35 174.84 2jkr h PRO 313 N 1.35 0.00 0.00 4.03 0.11 -1.95 -3.12 132.00 132.42 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 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 2jkr h PRO 313 CO 0.57 0.18 0.00 0.43 -0.21 0.00 0.00 178.00 178.97 2jkr n SER 314 N -3.51 0.00 -3.82 -2.05 7.64 -1.26 -3.85 113.62 106.77 2jkr n SER 314 Ca -0.01 -1.09 -0.11 0.00 1.01 0.00 0.00 58.87 58.67 2jkr n SER 314 Cb 0.34 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.46 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 -1.14 1.25 -0.22 -3.43 0.05 -1.18 -5.04 118.68 108.97 2jkr s LEU 315 Ca 0.04 -0.32 -0.04 0.00 0.05 0.00 0.00 54.13 53.86 2jkr s LEU 315 Cb 0.02 1.05 -0.01 0.00 -2.05 0.00 0.00 46.19 45.20 2jkr s LEU 315 CO 0.03 -0.57 -0.05 -0.76 -0.55 0.00 0.00 176.35 174.45 2jkr s LEU 316 N -2.07 2.85 0.57 1.48 1.43 -1.26 -2.06 118.68 119.62 2jkr s LEU 316 Ca -0.05 -0.41 -0.18 0.00 -1.03 0.00 0.00 54.13 52.46 2jkr s LEU 316 Cb -0.01 -1.72 -0.05 0.00 0.03 0.00 0.00 46.19 44.44 2jkr s LEU 316 CO -0.04 -0.02 1.08 0.00 0.23 0.00 0.00 176.35 177.61 2jkr s ALA 317 N 1.47 2.71 0.30 4.21 0.00 -0.77 -4.42 121.76 125.25 2jkr s ALA 317 Ca 0.06 0.59 0.03 0.00 0.00 0.00 0.00 51.96 52.64 2jkr s ALA 317 Cb -0.14 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 2jkr s ALA 317 CO -0.04 -0.76 0.18 -0.65 0.00 0.00 0.00 175.76 174.48 2jkr s GLN 318 N -3.66 1.58 -1.53 0.00 -0.21 -0.39 -2.80 119.66 112.65 2jkr s GLN 318 Ca 0.68 -1.90 -0.05 0.00 0.02 0.00 0.00 55.36 54.11 2jkr s GLN 318 Cb -0.19 0.01 0.05 0.00 1.00 0.00 0.00 33.01 33.88 2jkr s GLN 318 CO 0.31 -0.48 0.40 1.63 -2.12 0.00 0.00 175.29 175.03 2jkr n LYS 319 N -0.56 -2.57 -2.96 2.91 5.02 -1.20 -2.24 118.16 116.57 2jkr n LYS 319 Ca 0.02 0.31 -0.40 0.00 -2.02 0.00 0.00 58.31 56.22 2jkr n LYS 319 Cb 0.65 -4.43 -0.04 0.00 -0.02 0.00 0.00 35.03 31.18 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 -3.89 4.99 0.02 -0.18 1.01 -0.90 -4.08 121.20 118.17 2jkr s ILE 320 Ca 0.20 1.60 0.05 0.00 0.00 0.00 0.00 60.65 62.50 2jkr s ILE 320 Cb -0.11 -4.11 -0.02 0.00 0.01 0.00 0.00 42.46 38.23 2jkr s ILE 320 CO 0.93 0.24 -0.16 -1.61 0.00 0.00 0.00 174.94 174.34 2jkr s GLU 321 N 0.80 1.11 -0.10 2.79 2.02 -0.40 -0.70 118.70 124.22 2jkr s GLU 321 Ca 0.41 -0.71 -0.01 0.00 0.02 0.00 0.00 54.97 54.68 2jkr s GLU 321 Cb -0.19 -1.13 0.03 0.00 0.10 0.00 0.00 34.13 32.95 2jkr s GLU 321 CO 0.21 0.29 -0.04 0.08 0.02 0.00 0.00 175.26 175.82 2jkr s VAL 322 N -0.66 0.74 -0.55 2.63 1.01 0.87 -1.65 120.40 122.79 2jkr s VAL 322 Ca 0.04 -0.14 -0.09 0.00 0.00 0.00 0.00 61.98 61.80 2jkr s VAL 322 Cb -0.07 -0.84 0.14 0.00 0.00 0.00 0.00 36.38 35.61 2jkr s VAL 322 CO 0.01 0.29 0.42 -0.60 0.00 0.00 0.00 175.10 175.22 2jkr s ARG 323 N 1.82 2.65 -0.29 2.72 3.52 -0.24 -1.23 118.95 127.91 2jkr s ARG 323 Ca 0.05 -1.99 -0.29 0.00 -0.13 0.00 0.00 55.73 53.37 2jkr s ARG 323 Cb -0.13 -3.97 0.01 0.00 -1.56 0.00 0.00 34.95 29.31 2jkr s ARG 323 CO -0.07 -1.21 1.04 0.42 -0.81 0.00 0.00 175.30 174.68 2jkr s ILE 324 N 0.95 4.58 0.33 4.11 1.09 -0.55 -3.19 121.20 128.52 2jkr s ILE 324 Ca 0.09 1.79 -0.28 0.00 -1.10 0.00 0.00 60.65 61.16 2jkr s ILE 324 Cb -0.23 -4.36 -0.09 0.00 -1.06 0.00 0.00 42.46 36.71 2jkr s ILE 324 CO -0.02 -0.37 1.12 -2.16 -0.10 0.00 0.00 174.94 173.41 2jkr s PRO 325 N 3.46 4.41 0.19 2.79 0.04 -1.26 -0.48 135.00 144.15 2jkr s PRO 325 Ca 0.44 1.79 0.06 0.00 0.04 0.00 0.00 61.00 63.33 2jkr s PRO 325 Cb -0.13 -2.96 -0.04 0.00 0.04 0.00 0.00 34.50 31.41 2jkr s PRO 325 CO 0.12 0.01 0.15 0.95 0.04 0.00 0.00 177.00 178.27 2jkr s THR 326 N -1.30 4.44 0.85 1.26 -4.23 -1.14 -4.84 115.64 110.69 2jkr s THR 326 Ca 0.50 -1.19 -0.13 0.00 -1.18 0.00 0.00 61.69 59.69 2jkr s THR 326 Cb -0.30 -3.31 0.06 0.00 1.34 0.00 0.00 72.50 70.29 2jkr s THR 326 CO 0.39 -0.18 0.84 -2.65 -0.54 0.00 0.00 174.62 172.48 2jkr n PRO 327 N -0.58 -0.05 0.19 3.99 -0.02 -1.26 -4.75 135.00 132.52 2jkr n PRO 327 Ca -0.08 0.05 0.07 0.00 -2.02 0.00 0.00 63.50 61.52 2jkr n PRO 327 Cb 0.56 -2.15 0.28 0.00 -0.02 0.00 0.00 33.50 32.17 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 -1.17 0.00 -3.53 2.45 -0.00 -1.98 -3.08 115.31 108.00 2jkr h LEU 328 Ca -0.45 0.00 -0.39 0.00 -0.00 0.00 0.00 57.88 57.05 2jkr h LEU 328 Cb 1.30 0.00 -0.23 0.00 -0.00 0.00 0.00 40.66 41.73 2jkr h LEU 328 CO 0.41 0.34 0.49 -0.46 -0.00 0.00 0.00 178.44 179.22 2jkr n ASN 329 N -3.36 3.62 -4.77 -0.43 6.94 -1.26 -4.95 115.26 111.05 2jkr n ASN 329 Ca 0.01 -3.23 -0.39 0.00 -0.02 0.00 0.00 54.58 50.95 2jkr n ASN 329 Cb 0.55 -0.76 -0.01 0.00 -2.36 0.00 0.00 39.78 37.20 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 -2.54 2.78 0.00 5.53 2.01 -1.17 -0.12 115.64 122.13 2jkr s THR 330 Ca 0.44 0.67 0.00 0.00 0.31 0.00 0.00 61.69 63.11 2jkr s THR 330 Cb 0.37 -3.38 0.00 0.00 0.01 0.00 0.00 72.50 69.50 2jkr s THR 330 CO 0.09 0.07 0.00 -1.54 -0.69 0.00 0.00 174.62 172.55 2jkr n SER 331 N -0.03 1.09 -3.62 3.53 3.41 0.29 -4.70 113.62 113.59 2jkr n SER 331 Ca 0.05 -0.03 -0.15 0.00 -0.26 0.00 0.00 58.87 58.48 2jkr n SER 331 Cb 0.45 0.27 -0.07 0.00 -0.26 0.00 0.00 64.21 64.60 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 -0.49 -0.51 -0.06 5.00 0.00 -0.87 -4.94 107.32 105.45 2jkr s GLY 332 Ca 0.00 1.70 -0.02 0.00 0.00 0.00 0.00 44.72 46.40 2jkr s GLY 332 CO 0.00 1.42 0.11 0.14 0.00 0.00 0.00 173.10 174.77 2jkr s VAL 333 N -0.08 -0.11 -0.02 1.40 1.01 -1.26 0.14 120.40 121.47 2jkr s VAL 333 Ca -0.03 0.27 0.01 0.00 0.00 0.00 0.00 61.98 62.22 2jkr s VAL 333 Cb -0.04 -0.21 0.02 0.00 0.00 0.00 0.00 36.38 36.15 2jkr s VAL 333 CO 0.03 0.11 -0.02 0.00 0.00 0.00 0.00 175.10 175.22 2jkr s GLN 334 N 1.56 0.42 0.43 2.72 0.00 -0.21 -5.00 119.66 119.58 2jkr s GLN 334 Ca -0.04 -0.04 0.07 0.00 -0.00 0.00 0.00 55.36 55.35 2jkr s GLN 334 Cb -0.12 -0.50 -0.03 0.00 0.00 0.00 0.00 33.01 32.36 2jkr s GLN 334 CO -0.05 -0.05 0.27 0.14 0.00 0.00 0.00 175.29 175.61 2jkr s VAL 335 N 0.61 2.36 -0.32 3.63 -7.23 -1.26 0.04 120.40 118.24 2jkr s VAL 335 Ca -0.07 -1.55 -0.02 0.00 -1.81 0.00 0.00 61.98 58.53 2jkr s VAL 335 Cb -0.10 -2.91 0.11 0.00 0.56 0.00 0.00 36.38 34.04 2jkr s VAL 335 CO -0.01 0.00 0.16 -0.63 -0.31 0.00 0.00 175.10 174.31 2jkr s ILE 336 N -2.57 0.11 -0.16 -0.62 1.09 0.21 -4.91 121.20 114.35 2jkr s ILE 336 Ca 0.43 -1.17 -0.18 0.00 -1.10 0.00 0.00 60.65 58.62 2jkr s ILE 336 Cb 0.01 -1.11 -0.04 0.00 -1.06 0.00 0.00 42.46 40.27 2jkr s ILE 336 CO 0.24 -0.82 0.51 0.00 -0.10 0.00 0.00 174.94 174.77 2jkr n MET 338 N 4.31 0.00 -1.76 0.00 2.81 -1.12 -4.82 117.12 116.54 2jkr n MET 338 Ca -0.06 0.00 -0.32 0.00 -1.81 0.00 0.00 57.70 55.51 2jkr n MET 338 Cb 0.51 -0.17 0.04 0.00 -0.71 0.00 0.00 33.22 32.89 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 2.99 0.43 0.03 1.02 -1.26 -4.97 119.74 117.98 2jkr s LYS 339 Ca 0.00 1.15 0.00 0.00 0.02 0.00 0.00 55.97 57.14 2jkr s LYS 339 Cb 0.00 -1.99 0.00 0.00 -0.52 0.00 0.00 37.83 35.32 2jkr s LYS 339 CO 0.00 -1.07 0.00 0.41 -0.92 0.00 0.00 175.35 173.77 2jkr n GLY 340 N -1.26 -2.04 3.25 -3.33 0.00 -1.26 -4.94 105.19 95.61 2jkr n GLY 340 Ca 0.09 -1.38 -0.17 0.00 0.00 0.00 0.00 46.02 44.55 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 -1.03 1.06 0.03 1.61 2.20 -1.02 -4.87 119.74 117.72 2jkr s LYS 341 Ca 0.00 -1.32 0.02 0.00 -0.36 0.00 0.00 55.97 54.31 2jkr s LYS 341 Cb 0.00 -0.86 -0.02 0.00 -1.51 0.00 0.00 37.83 35.44 2jkr s LYS 341 CO 0.00 0.15 -0.07 0.00 -0.36 0.00 0.00 175.35 175.08 2jkr s ALA 342 N -2.49 0.47 0.02 3.13 0.00 -1.26 -1.31 121.76 120.33 2jkr s ALA 342 Ca 0.12 -0.66 0.04 0.00 0.00 0.00 0.00 51.96 51.47 2jkr s ALA 342 Cb -0.03 0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.12 2jkr s ALA 342 CO 0.03 -0.03 -0.13 -1.59 0.00 0.00 0.00 175.76 174.04 2jkr s LYS 343 N -1.35 0.94 0.16 0.00 -2.85 -0.92 -4.98 119.74 110.74 2jkr s LYS 343 Ca -0.09 -0.60 -0.20 0.00 -1.00 0.00 0.00 55.97 54.07 2jkr s LYS 343 Cb -0.09 -0.92 -0.08 0.00 -2.06 0.00 0.00 37.83 34.69 2jkr s LYS 343 CO 0.00 0.24 0.67 -0.47 0.10 0.00 0.00 175.35 175.89 2jkr s TYR 344 N -0.60 3.75 -0.50 1.78 5.04 -1.26 -0.69 117.35 124.87 2jkr s TYR 344 Ca 0.03 1.38 0.05 0.00 -2.44 0.00 0.00 57.07 56.09 2jkr s TYR 344 Cb -0.06 -2.59 0.20 0.00 0.35 0.00 0.00 41.96 39.85 2jkr s TYR 344 CO 0.00 0.46 0.47 1.63 -1.34 0.00 0.00 175.55 176.78 2jkr n LYS 345 N 1.23 0.95 0.26 4.97 5.02 -0.52 -4.88 118.16 125.17 2jkr n LYS 345 Ca -0.06 -3.64 0.12 0.00 -2.02 0.00 0.00 58.31 52.71 2jkr n LYS 345 Cb 0.50 -1.76 0.77 0.00 -0.02 0.00 0.00 35.03 34.52 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 5.00 1.83 -0.44 7.82 0.00 -1.95 0.75 119.26 132.26 2jkr h ALA 346 Ca 0.19 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.17 2jkr h ALA 346 Cb 0.84 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.56 2jkr h ALA 346 CO 0.52 -0.06 -0.16 0.43 0.00 0.00 0.00 179.25 179.98 2jkr n SER 347 N -4.20 -0.25 -1.38 0.00 7.64 -1.26 -2.21 113.62 111.96 2jkr n SER 347 Ca -0.02 0.77 0.04 0.00 1.01 0.00 0.00 58.87 60.66 2jkr n SER 347 Cb 0.14 -0.19 0.07 0.00 -1.01 0.00 0.00 64.21 63.21 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 -4.67 0.61 -3.65 1.43 0.28 0.24 -5.06 120.64 109.82 2jkr n GLU 348 Ca 0.05 -2.49 -0.28 0.00 -0.16 0.00 0.00 57.16 54.29 2jkr n GLU 348 Cb 0.19 -0.58 0.04 0.00 1.43 0.00 0.00 31.44 32.52 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 -0.01 -4.51 -3.60 -1.84 3.02 0.25 -5.00 115.26 103.57 2jkr n ASN 349 Ca 0.10 -0.95 -0.05 0.00 -0.03 0.00 0.00 54.58 53.65 2jkr n ASN 349 Cb 1.01 -3.67 -0.03 0.00 -0.61 0.00 0.00 39.78 36.47 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 -3.53 -2.04 -0.03 5.41 0.00 -1.21 -2.88 121.76 117.48 2jkr s ALA 350 Ca 0.37 1.62 -0.28 0.00 0.00 0.00 0.00 51.96 53.67 2jkr s ALA 350 Cb -0.12 -0.50 -0.03 0.00 0.00 0.00 0.00 23.12 22.46 2jkr s ALA 350 CO 0.84 -0.47 0.88 0.42 0.00 0.00 0.00 175.76 177.43 2jkr s ILE 351 N -1.90 4.93 -0.38 0.00 1.01 0.36 -1.44 121.20 123.78 2jkr s ILE 351 Ca 0.07 1.84 -0.03 0.00 0.00 0.00 0.00 60.65 62.52 2jkr s ILE 351 Cb -0.01 -4.22 0.09 0.00 0.01 0.00 0.00 42.46 38.33 2jkr s ILE 351 CO -0.04 0.19 0.15 -0.69 0.00 0.00 0.00 174.94 174.55 2jkr s VAL 352 N 0.96 3.31 -0.19 2.92 1.01 0.13 -1.48 120.40 127.05 2jkr s VAL 352 Ca 0.47 -1.79 -0.21 0.00 0.00 0.00 0.00 61.98 60.45 2jkr s VAL 352 Cb -0.20 -3.14 -0.02 0.00 0.00 0.00 0.00 36.38 33.02 2jkr s VAL 352 CO 0.24 -0.50 0.64 0.86 0.00 0.00 0.00 175.10 176.34 2jkr s TRP 353 N 1.20 3.38 -0.13 5.22 -0.00 -0.36 -2.15 118.94 126.10 2jkr s TRP 353 Ca 0.04 0.95 -0.01 0.00 -0.00 0.00 0.00 56.10 57.08 2jkr s TRP 353 Cb -0.22 -2.81 -0.02 0.00 -0.00 0.00 0.00 33.47 30.42 2jkr s TRP 353 CO -0.03 -0.18 -0.10 0.15 -0.00 0.00 0.00 176.95 176.80 2jkr s LYS 354 N 1.92 3.36 -0.08 5.86 1.02 -0.42 -0.09 119.74 131.31 2jkr s LYS 354 Ca 0.29 -0.62 0.01 0.00 0.02 0.00 0.00 55.97 55.68 2jkr s LYS 354 Cb -0.16 -2.70 -0.03 0.00 -0.52 0.00 0.00 37.83 34.42 2jkr s LYS 354 CO 0.11 0.29 -0.10 0.42 -0.92 0.00 0.00 175.35 175.15 2jkr s ILE 355 N 0.17 3.41 0.06 2.17 -1.09 0.12 -2.44 121.20 123.60 2jkr s ILE 355 Ca -0.05 -0.58 -0.14 0.00 -2.23 0.00 0.00 60.65 57.65 2jkr s ILE 355 Cb -0.15 -2.39 -0.27 0.00 -1.58 0.00 0.00 42.46 38.07 2jkr s ILE 355 CO 0.04 0.58 1.14 0.50 -1.23 0.00 0.00 174.94 175.96 2jkr h LYS 356 N 5.64 0.64 -1.71 2.79 1.63 -1.97 -2.39 116.57 121.21 2jkr h LYS 356 Ca -0.43 -0.80 0.03 0.00 -0.85 0.00 0.00 60.65 58.61 2jkr h LYS 356 Cb 1.17 0.25 -0.24 0.00 -0.60 0.00 0.00 32.23 32.81 2jkr h LYS 356 CO 0.53 1.36 0.38 -0.98 -3.45 0.00 0.00 179.45 177.28 2jkr s ARG 357 N -3.10 0.62 -0.12 1.90 1.70 -1.26 -3.21 118.95 115.49 2jkr s ARG 357 Ca -0.09 0.63 -0.10 0.00 -0.47 0.00 0.00 55.73 55.69 2jkr s ARG 357 Cb 0.06 0.30 0.03 0.00 -0.57 0.00 0.00 34.95 34.77 2jkr s ARG 357 CO 0.93 -0.10 0.31 0.00 -1.08 0.00 0.00 175.30 175.36 2jkr s MET 358 N 0.05 0.35 0.78 3.89 0.23 -1.12 -5.03 119.30 118.45 2jkr s MET 358 Ca 0.01 0.44 -0.10 0.00 -1.03 0.00 0.00 55.69 55.01 2jkr s MET 358 Cb -0.04 0.16 0.08 0.00 -1.53 0.00 0.00 34.83 33.50 2jkr s MET 358 CO -0.03 -0.05 1.12 0.00 -2.03 0.00 0.00 175.02 174.03 2jkr s ALA 359 N 0.24 2.85 0.40 3.16 0.00 -1.26 -1.86 121.76 125.29 2jkr s ALA 359 Ca -0.01 -0.85 -0.25 0.00 0.00 0.00 0.00 51.96 50.85 2jkr s ALA 359 Cb -0.03 -2.77 -0.08 0.00 0.00 0.00 0.00 23.12 20.24 2jkr s ALA 359 CO -0.00 -1.59 1.19 0.20 0.00 0.00 0.00 175.76 175.56 2jkr s GLY 360 N -4.59 2.88 -0.76 0.00 0.00 -0.87 -3.31 107.32 100.68 2jkr s GLY 360 Ca 0.62 1.02 0.00 0.00 0.00 0.00 0.00 44.72 46.36 2jkr s GLY 360 CO 0.47 1.55 0.00 1.03 0.00 0.00 0.00 173.10 176.15 2jkr n MET 361 N 0.12 -0.51 -4.06 2.90 2.81 -1.07 -3.99 117.12 113.32 2jkr n MET 361 Ca 0.04 0.71 -0.27 0.00 -1.81 0.00 0.00 57.70 56.37 2jkr n MET 361 Cb 0.46 -4.53 -0.02 0.00 -0.71 0.00 0.00 33.22 28.42 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 -2.82 2.25 0.16 0.03 2.20 -1.21 -4.97 119.74 115.37 2jkr s LYS 362 Ca 0.00 -2.08 -0.07 0.00 -0.36 0.00 0.00 55.97 53.46 2jkr s LYS 362 Cb 0.00 -1.99 -0.01 0.00 -1.51 0.00 0.00 37.83 34.32 2jkr s LYS 362 CO 0.00 -0.54 0.24 -1.21 -0.36 0.00 0.00 175.35 173.48 2jkr s GLU 363 N -4.19 1.11 0.19 4.03 2.02 -1.26 -1.98 118.70 118.62 2jkr s GLU 363 Ca 0.29 -1.22 -0.16 0.00 0.02 0.00 0.00 54.97 53.91 2jkr s GLU 363 Cb -0.01 0.35 0.02 0.00 0.10 0.00 0.00 34.13 34.59 2jkr s GLU 363 CO 0.18 -0.39 0.48 -1.12 0.02 0.00 0.00 175.26 174.42 2jkr s SER 364 N -2.98 -0.19 0.00 -0.19 0.01 -0.64 -4.98 113.70 104.73 2jkr s SER 364 Ca 0.18 -0.58 -0.06 0.00 1.31 0.00 0.00 55.95 56.80 2jkr s SER 364 Cb 0.04 0.55 -0.00 0.00 0.21 0.00 0.00 66.02 66.82 2jkr s SER 364 CO 0.00 -1.03 0.11 -1.58 0.41 0.00 0.00 173.24 171.15 2jkr s GLN 365 N -3.90 0.43 0.03 12.44 0.74 -1.26 -0.13 119.66 128.00 2jkr s GLN 365 Ca 0.11 -0.39 0.01 0.00 0.05 0.00 0.00 55.36 55.14 2jkr s GLN 365 Cb -0.00 0.17 -0.02 0.00 1.10 0.00 0.00 33.01 34.26 2jkr s GLN 365 CO -0.01 -0.10 -0.05 -1.50 -0.55 0.00 0.00 175.29 173.08 2jkr s ILE 366 N -1.28 0.31 -0.17 -2.34 2.07 0.23 -2.78 121.20 117.24 2jkr s ILE 366 Ca -0.14 -0.91 -0.04 0.00 -1.41 0.00 0.00 60.65 58.16 2jkr s ILE 366 Cb -0.07 -0.41 0.06 0.00 0.13 0.00 0.00 42.46 42.17 2jkr s ILE 366 CO 0.01 -0.39 0.07 -0.44 -1.91 0.00 0.00 174.94 172.28 2jkr s SER 367 N -1.37 2.41 -0.08 4.50 0.01 -1.14 -1.10 113.70 116.92 2jkr s SER 367 Ca -0.12 -0.61 -0.01 0.00 1.31 0.00 0.00 55.95 56.52 2jkr s SER 367 Cb -0.09 -0.35 -0.03 0.00 0.21 0.00 0.00 66.02 65.75 2jkr s SER 367 CO -0.00 -0.32 -0.01 0.00 0.41 0.00 0.00 173.24 173.31 2jkr s ALA 368 N 2.05 3.22 -0.12 1.44 0.00 0.11 -0.62 121.76 127.84 2jkr s ALA 368 Ca 0.01 -0.82 -0.01 0.00 0.00 0.00 0.00 51.96 51.14 2jkr s ALA 368 Cb -0.16 -1.43 -0.03 0.00 0.00 0.00 0.00 23.12 21.50 2jkr s ALA 368 CO -0.08 0.57 -0.07 -1.21 0.00 0.00 0.00 175.76 174.97 2jkr s GLU 369 N -0.83 3.26 -0.26 0.00 2.02 0.11 -0.92 118.70 122.08 2jkr s GLU 369 Ca 0.13 -0.57 0.01 0.00 0.02 0.00 0.00 54.97 54.55 2jkr s GLU 369 Cb -0.11 -2.72 0.07 0.00 0.10 0.00 0.00 34.13 31.47 2jkr s GLU 369 CO 0.02 0.39 -0.01 0.42 0.02 0.00 0.00 175.26 176.10 2jkr s ILE 370 N -0.07 1.43 0.16 -1.63 1.01 -0.44 -1.05 121.20 120.62 2jkr s ILE 370 Ca 0.00 -1.34 -0.30 0.00 0.00 0.00 0.00 60.65 59.01 2jkr s ILE 370 Cb -0.13 -1.82 -0.08 0.00 0.01 0.00 0.00 42.46 40.43 2jkr s ILE 370 CO 0.03 -0.27 1.27 -1.61 0.00 0.00 0.00 174.94 174.36 2jkr s GLU 371 N 1.41 4.42 -0.07 2.79 8.01 0.12 -2.00 118.70 133.38 2jkr s GLU 371 Ca -0.01 1.96 0.03 0.00 0.01 0.00 0.00 54.97 56.96 2jkr s GLU 371 Cb -0.18 -3.24 -0.02 0.00 -4.31 0.00 0.00 34.13 26.38 2jkr s GLU 371 CO -0.10 -0.23 -0.15 -0.51 0.01 0.00 0.00 175.26 174.28 2jkr s LEU 372 N 0.19 2.67 0.43 1.80 1.43 -0.01 -0.54 118.68 124.64 2jkr s LEU 372 Ca 0.57 -0.26 -0.26 0.00 -1.03 0.00 0.00 54.13 53.15 2jkr s LEU 372 Cb -0.34 -1.55 -0.09 0.00 0.03 0.00 0.00 46.19 44.23 2jkr s LEU 372 CO 0.35 0.29 1.46 -0.76 0.23 0.00 0.00 176.35 177.92 2jkr s LEU 373 N -0.41 4.17 0.08 1.79 1.43 0.83 -4.77 118.68 121.80 2jkr s LEU 373 Ca 0.05 2.99 -0.15 0.00 -1.03 0.00 0.00 54.13 55.98 2jkr s LEU 373 Cb -0.12 -3.85 -0.03 0.00 0.03 0.00 0.00 46.19 42.22 2jkr s LEU 373 CO 0.02 -1.10 1.25 -2.65 0.23 0.00 0.00 176.35 174.10 2jkr n PRO 374 N -0.00 -0.21 -1.25 1.29 -0.02 -1.26 -4.94 135.00 128.61 2jkr n PRO 374 Ca 0.04 1.24 0.16 0.00 -2.02 0.00 0.00 63.50 62.92 2jkr n PRO 374 Cb 0.41 -1.84 -0.06 0.00 -0.02 0.00 0.00 33.50 31.99 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 -4.07 0.00 -0.08 3.45 5.66 -1.26 -4.79 114.28 113.18 2jkr n THR 375 Ca 0.01 0.33 -0.08 0.00 -3.05 0.00 0.00 64.05 61.25 2jkr n THR 375 Cb 0.12 -0.75 -0.13 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 -4.01 1.05 0.00 1.09 5.15 -1.26 -5.12 115.26 112.16 2jkr n ASN 376 Ca -0.02 -0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.95 2jkr n ASN 376 Cb 0.58 0.85 0.00 0.00 -0.53 0.00 0.00 39.78 40.68 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 -2.62 0.00 0.00 1.20 5.75 -1.26 -5.03 116.55 114.59 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 1.02 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.11 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 -3.73 -0.08 0.00 -1.84 0.00 0.00 35.03 29.39 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 0.39 -1.02 0.00 1.97 3.64 -2.03 -3.44 116.57 116.08 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 -5.12 0.00 0.00 1.90 5.02 -1.26 -4.67 118.16 114.03 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 -2.31 0.00 0.00 -0.02 0.00 0.00 35.03 33.12 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 -0.32 0.00 -0.98 2.13 -0.00 -1.26 -4.53 117.44 112.48 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 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.09 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 0.55 0.00 -0.63 0.00 1.85 -1.26 -4.85 116.66 112.32 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 0.44 0.00 0.19 0.00 -1.05 0.00 0.00 32.46 32.04 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 0.21 -1.57 -1.76 2.89 -0.04 -1.26 -4.69 135.00 128.77 2jkr n PRO 384 Ca 0.00 -0.43 -0.31 0.00 -0.04 0.00 0.00 63.50 62.72 2jkr n PRO 384 Cb 0.00 -1.93 0.03 0.00 -0.04 0.00 0.00 33.50 31.57 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 -3.87 3.18 -0.44 0.54 0.02 -1.26 -4.57 135.00 128.59 2jkr s PRO 385 Ca 0.61 0.75 -0.29 0.00 0.02 0.00 0.00 61.00 62.10 2jkr s PRO 385 Cb -0.19 -2.03 0.01 0.00 0.02 0.00 0.00 34.50 32.31 2jkr s PRO 385 CO 0.65 -0.87 1.42 0.42 -0.33 0.00 0.00 177.00 178.29 2jkr s ILE 386 N -3.17 3.87 0.21 2.83 1.01 0.32 -4.61 121.20 121.66 2jkr s ILE 386 Ca 0.57 0.86 -0.23 0.00 0.00 0.00 0.00 60.65 61.85 2jkr s ILE 386 Cb -0.12 -4.23 -0.08 0.00 0.01 0.00 0.00 42.46 38.03 2jkr s ILE 386 CO 0.54 -0.83 0.78 -0.94 0.00 0.00 0.00 174.94 174.49 2jkr s SER 387 N 4.11 7.26 0.19 3.58 1.04 -1.19 0.11 113.70 128.79 2jkr s SER 387 Ca 0.60 1.59 0.07 0.00 0.48 0.00 0.00 55.95 58.69 2jkr s SER 387 Cb -0.13 -2.48 -0.04 0.00 0.10 0.00 0.00 66.02 63.47 2jkr s SER 387 CO 0.31 0.10 0.03 -0.04 0.98 0.00 0.00 173.24 174.63 2jkr s MET 388 N -1.59 2.49 -0.03 4.02 -1.94 -0.41 -1.08 119.30 120.76 2jkr s MET 388 Ca 0.41 -1.12 0.03 0.00 -1.71 0.00 0.00 55.69 53.30 2jkr s MET 388 Cb -0.20 -2.38 -0.00 0.00 2.01 0.00 0.00 34.83 34.26 2jkr s MET 388 CO 0.24 0.44 -0.12 -0.80 -0.01 0.00 0.00 175.02 174.77 2jkr s ASN 389 N -3.14 1.53 0.23 3.03 -0.87 -0.66 -4.24 114.94 110.83 2jkr s ASN 389 Ca 0.29 -0.24 -0.22 0.00 -1.57 0.00 0.00 52.86 51.12 2jkr s ASN 389 Cb -0.09 -0.38 0.04 0.00 -0.02 0.00 0.00 41.25 40.81 2jkr s ASN 389 CO 0.20 0.11 0.84 0.72 -2.57 0.00 0.00 177.10 176.39 2jkr s PHE 390 N 0.07 -0.12 0.01 2.20 -0.12 -1.26 -1.28 117.98 117.48 2jkr s PHE 390 Ca -0.02 -0.30 0.02 0.00 -0.05 0.00 0.00 56.93 56.58 2jkr s PHE 390 Cb -0.09 0.69 -0.01 0.00 -0.63 0.00 0.00 43.02 42.99 2jkr s PHE 390 CO 0.01 -1.09 -0.06 -2.00 -0.05 0.00 0.00 175.22 172.02 2jkr s GLU 391 N -3.42 0.47 -0.01 1.99 2.12 -0.95 -1.72 118.70 117.18 2jkr s GLU 391 Ca 0.13 -0.34 -0.05 0.00 0.36 0.00 0.00 54.97 55.06 2jkr s GLU 391 Cb -0.04 -0.40 0.00 0.00 0.26 0.00 0.00 34.13 33.95 2jkr s GLU 391 CO 0.05 0.10 0.10 0.14 -0.54 0.00 0.00 175.26 175.12 2jkr s VAL 392 N -0.45 0.06 -0.01 3.70 -7.23 0.32 -1.26 120.40 115.53 2jkr s VAL 392 Ca -0.01 -0.51 0.00 0.00 -1.81 0.00 0.00 61.98 59.65 2jkr s VAL 392 Cb -0.04 -0.32 0.01 0.00 0.56 0.00 0.00 36.38 36.59 2jkr s VAL 392 CO -0.00 -0.28 1.25 -2.65 -0.31 0.00 0.00 175.10 173.11 2jkr n PRO 393 N 1.97 1.02 -3.74 4.82 -0.02 -1.26 0.86 135.00 138.64 2jkr n PRO 393 Ca -0.20 -0.04 -0.10 0.00 -2.02 0.00 0.00 63.50 61.14 2jkr n PRO 393 Cb 0.57 -1.02 -0.05 0.00 -0.02 0.00 0.00 33.50 32.98 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 -0.05 -0.04 -0.35 6.00 -0.12 -1.26 -4.65 117.98 117.52 2jkr s PHE 394 Ca 0.01 -0.30 -0.17 0.00 -0.05 0.00 0.00 56.93 56.41 2jkr s PHE 394 Cb 0.01 0.21 -0.00 0.00 -0.63 0.00 0.00 43.02 42.61 2jkr s PHE 394 CO 0.00 -0.75 0.45 0.00 -0.05 0.00 0.00 175.22 174.87 2jkr s ALA 395 N -3.86 3.48 0.65 1.99 0.00 -1.26 -3.72 121.76 119.04 2jkr s ALA 395 Ca 0.07 -1.12 0.32 0.00 0.00 0.00 0.00 51.96 51.23 2jkr s ALA 395 Cb 0.02 -2.94 1.76 0.00 0.00 0.00 0.00 23.12 21.95 2jkr s ALA 395 CO -0.07 -1.19 2.02 -1.35 0.00 0.00 0.00 175.76 175.17 2jkr h PRO 396 N 8.48 0.00 0.00 0.00 0.11 -1.91 0.98 132.00 139.66 2jkr h PRO 396 Ca -0.28 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.79 2jkr h PRO 396 Cb 1.13 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 2jkr h PRO 396 CO 0.74 0.00 -0.16 0.66 -0.21 0.00 0.00 178.00 179.04 2jkr h SER 397 N 0.00 0.00 0.00 -2.05 4.64 -1.91 0.06 113.55 114.29 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 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 2jkr h SER 397 CO -0.00 0.16 0.00 0.61 -0.87 0.00 0.00 176.83 176.72 2jkr n GLY 398 N -0.77 1.76 3.50 -0.77 0.00 0.34 -4.64 105.19 104.60 2jkr n GLY 398 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 0.89 -3.62 0.99 7.94 -1.25 -4.95 117.00 117.00 2jkr n LEU 399 Ca 0.00 0.91 -0.09 0.00 -1.11 0.00 0.00 56.01 55.72 2jkr n LEU 399 Cb 0.00 -1.19 -0.10 0.00 0.53 0.00 0.00 43.42 42.66 2jkr n LEU 399 CO 0.00 -2.54 -0.00 -0.54 -1.11 0.00 0.00 177.39 173.20 2jkr s LYS 400 N -1.82 0.30 -0.07 1.96 1.02 -1.26 -4.33 119.74 115.54 2jkr s LYS 400 Ca 0.65 0.94 -0.30 0.00 0.02 0.00 0.00 55.97 57.28 2jkr s LYS 400 Cb -0.56 0.20 -0.04 0.00 -0.52 0.00 0.00 37.83 36.91 2jkr s LYS 400 CO 0.57 -0.30 1.43 0.08 -0.92 0.00 0.00 175.35 176.21 2jkr s VAL 401 N 2.58 3.86 -0.06 3.17 1.01 -1.26 -2.53 120.40 127.17 2jkr s VAL 401 Ca 0.00 1.12 0.17 0.00 0.00 0.00 0.00 61.98 63.28 2jkr s VAL 401 Cb -0.12 -3.72 -0.25 0.00 0.00 0.00 0.00 36.38 32.28 2jkr s VAL 401 CO -0.13 -0.06 0.30 0.54 0.00 0.00 0.00 175.10 175.75 2jkr n ARG 402 N 6.31 0.75 -3.60 2.72 5.12 -0.15 -4.96 116.66 122.86 2jkr n ARG 402 Ca 0.15 -0.12 -0.05 0.00 -1.93 0.00 0.00 57.85 55.90 2jkr n ARG 402 Cb 0.44 -1.42 -0.03 0.00 -1.16 0.00 0.00 32.46 30.29 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 -2.99 -0.16 -0.31 -1.55 -0.85 -0.66 -4.98 117.35 105.85 2jkr s TYR 403 Ca -0.07 0.17 0.01 0.00 -0.52 0.00 0.00 57.07 56.67 2jkr s TYR 403 Cb 0.09 0.50 0.15 0.00 0.38 0.00 0.00 41.96 43.08 2jkr s TYR 403 CO 0.71 -0.21 0.35 -1.17 -1.52 0.00 0.00 175.55 173.71 2jkr s LEU 404 N -1.80 -0.36 -0.11 -3.49 2.96 -1.26 -1.43 118.68 113.19 2jkr s LEU 404 Ca 0.07 -0.89 -0.19 0.00 -0.22 0.00 0.00 54.13 52.91 2jkr s LEU 404 Cb -0.01 0.71 -0.04 0.00 0.50 0.00 0.00 46.19 47.35 2jkr s LEU 404 CO -0.05 -0.34 0.50 -0.75 -1.32 0.00 0.00 176.35 174.39 2jkr s LYS 405 N 2.15 4.34 -0.21 1.98 2.20 -0.46 -4.91 119.74 124.83 2jkr s LYS 405 Ca 0.12 0.49 -0.08 0.00 -0.36 0.00 0.00 55.97 56.13 2jkr s LYS 405 Cb -0.14 -3.43 -0.04 0.00 -1.51 0.00 0.00 37.83 32.71 2jkr s LYS 405 CO -0.24 0.16 0.10 0.08 -0.36 0.00 0.00 175.35 175.09 2jkr s VAL 406 N 0.60 4.89 -0.18 4.02 1.01 -1.26 -0.77 120.40 128.71 2jkr s VAL 406 Ca 0.27 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.26 2jkr s VAL 406 Cb -0.15 -3.25 0.01 0.00 0.00 0.00 0.00 36.38 32.99 2jkr s VAL 406 CO 0.11 0.40 -0.16 0.12 0.00 0.00 0.00 175.10 175.57 2jkr s PHE 407 N 0.83 2.80 -0.18 5.22 2.19 -0.78 -4.24 117.98 123.83 2jkr s PHE 407 Ca 0.05 -1.33 -0.05 0.00 0.33 0.00 0.00 56.93 55.93 2jkr s PHE 407 Cb -0.13 -1.93 0.07 0.00 -1.31 0.00 0.00 43.02 39.71 2jkr s PHE 407 CO 0.02 -0.65 0.12 -2.00 1.83 0.00 0.00 175.22 174.54 2jkr s GLU 408 N 1.14 0.09 -0.04 10.12 2.56 -1.26 -1.13 118.70 130.18 2jkr s GLU 408 Ca 0.01 -0.02 0.14 0.00 0.00 0.00 0.00 54.97 55.10 2jkr s GLU 408 Cb -0.14 -1.69 -0.22 0.00 2.00 0.00 0.00 34.13 34.08 2jkr s GLU 408 CO -0.07 -0.67 0.64 -2.30 -0.56 0.00 0.00 175.26 172.31 2jkr n PRO 409 N 5.29 0.63 0.10 4.30 -0.02 -1.26 -0.59 135.00 143.46 2jkr n PRO 409 Ca -0.07 0.26 -0.11 0.00 -2.02 0.00 0.00 63.50 61.56 2jkr n PRO 409 Cb 0.49 -1.77 -0.07 0.00 -0.02 0.00 0.00 33.50 32.12 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 -3.30 116.57 117.05 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 1.95 0.07 0.00 0.00 -0.57 0.00 0.00 32.23 33.68 2jkr h LYS 410 CO 0.07 0.07 0.00 1.28 -2.06 0.00 0.00 179.45 178.81 2jkr n LEU 411 N -5.01 0.82 -2.93 2.94 4.77 -1.26 -4.94 117.00 111.39 2jkr n LEU 411 Ca -0.08 0.58 -0.09 0.00 -0.03 0.00 0.00 56.01 56.38 2jkr n LEU 411 Cb 0.26 -0.32 -0.03 0.00 -2.33 0.00 0.00 43.42 41.00 2jkr n LEU 411 CO 0.26 -0.18 -0.12 -0.46 -1.33 0.00 0.00 177.39 175.55 2jkr n ASN 412 N -2.27 0.17 -4.77 -1.43 6.94 0.25 -4.91 115.26 109.24 2jkr n ASN 412 Ca 0.06 -0.36 -0.38 0.00 -0.02 0.00 0.00 54.58 53.88 2jkr n ASN 412 Cb 0.43 -0.45 -0.06 0.00 -2.36 0.00 0.00 39.78 37.34 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 -3.17 3.76 0.22 -2.53 -0.85 -1.25 -4.98 117.35 108.56 2jkr s TYR 413 Ca 0.03 1.82 -0.32 0.00 -0.52 0.00 0.00 57.07 58.08 2jkr s TYR 413 Cb -0.02 -2.96 -0.12 0.00 0.38 0.00 0.00 41.96 39.25 2jkr s TYR 413 CO 0.28 0.23 1.68 0.45 -1.52 0.00 0.00 175.55 176.67 2jkr s SER 414 N -1.47 6.40 0.57 -0.18 0.15 -1.26 -4.69 113.70 113.21 2jkr s SER 414 Ca 0.48 2.86 0.29 0.00 0.70 0.00 0.00 55.95 60.28 2jkr s SER 414 Cb -0.21 -2.61 1.47 0.00 -1.71 0.00 0.00 66.02 62.96 2jkr s SER 414 CO 0.27 -0.95 1.91 -0.78 1.20 0.00 0.00 173.24 174.89 2jkr h ASP 415 N 6.42 0.00 1.55 5.45 -0.00 -1.94 0.87 116.42 128.76 2jkr h ASP 415 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.59 2jkr h ASP 415 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.53 2jkr h ASP 415 CO 0.92 0.00 0.00 0.45 -0.00 0.00 0.00 179.24 180.61 2jkr h HIS 416 N 0.00 0.00 -0.02 0.28 3.86 -1.92 -3.00 115.15 114.36 2jkr h HIS 416 Ca 0.28 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.49 2jkr h HIS 416 Cb 1.30 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.77 2jkr h HIS 416 CO 0.00 0.00 -0.09 -0.25 0.86 0.00 0.00 177.93 178.45 2jkr n ASP 417 N -3.09 1.74 -4.63 2.45 8.00 0.30 -4.80 116.55 116.51 2jkr n ASP 417 Ca 0.02 -1.47 -0.43 0.00 0.71 0.00 0.00 54.79 53.63 2jkr n ASP 417 Cb 0.43 0.07 -0.02 0.00 -0.02 0.00 0.00 41.12 41.57 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 -2.15 4.19 0.14 2.53 1.01 -1.13 -4.56 120.40 120.42 2jkr s VAL 418 Ca 0.32 1.34 -0.31 0.00 0.00 0.00 0.00 61.98 63.32 2jkr s VAL 418 Cb 0.20 -4.22 -0.08 0.00 0.00 0.00 0.00 36.38 32.28 2jkr s VAL 418 CO 0.39 -0.52 1.36 -0.63 0.00 0.00 0.00 175.10 175.70 2jkr s ILE 419 N 4.31 3.30 -0.06 2.22 -1.09 0.98 -4.92 121.20 125.95 2jkr s ILE 419 Ca 0.54 0.97 -0.00 0.00 -2.23 0.00 0.00 60.65 59.93 2jkr s ILE 419 Cb -0.15 -3.62 0.03 0.00 -1.58 0.00 0.00 42.46 37.13 2jkr s ILE 419 CO 0.23 0.10 -0.01 -0.54 -1.23 0.00 0.00 174.94 173.48 2jkr s LYS 420 N 0.73 0.62 -0.00 2.79 1.02 -1.26 -0.87 119.74 122.76 2jkr s LYS 420 Ca 0.62 0.04 0.02 0.00 0.02 0.00 0.00 55.97 56.67 2jkr s LYS 420 Cb -0.36 -0.84 -0.01 0.00 -0.52 0.00 0.00 37.83 36.10 2jkr s LYS 420 CO 0.33 -0.20 -0.07 1.67 -0.92 0.00 0.00 175.35 176.16 2jkr s TRP 421 N 1.47 0.60 0.01 3.18 -2.14 -1.08 -5.03 118.94 115.96 2jkr s TRP 421 Ca -0.03 -0.14 0.05 0.00 2.66 0.00 0.00 56.10 58.64 2jkr s TRP 421 Cb -0.13 -0.38 -0.02 0.00 -3.10 0.00 0.00 33.47 29.84 2jkr s TRP 421 CO -0.03 -0.01 -0.14 0.54 -2.66 0.00 0.00 176.95 174.65 2jkr s VAL 422 N -0.25 1.11 0.06 -0.66 0.11 -1.26 -0.85 120.40 118.66 2jkr s VAL 422 Ca 0.02 -0.78 0.05 0.00 -2.93 0.00 0.00 61.98 58.34 2jkr s VAL 422 Cb -0.03 -0.96 -0.03 0.00 -1.53 0.00 0.00 36.38 33.83 2jkr s VAL 422 CO -0.00 0.17 -0.14 0.00 -3.33 0.00 0.00 175.10 171.80 2jkr s ARG 423 N -0.69 0.88 -0.20 1.54 1.70 -0.32 -4.95 118.95 116.90 2jkr s ARG 423 Ca 0.04 -0.86 -0.07 0.00 -0.47 0.00 0.00 55.73 54.37 2jkr s ARG 423 Cb -0.06 -0.89 -0.03 0.00 -0.57 0.00 0.00 34.95 33.39 2jkr s ARG 423 CO 0.00 0.21 0.04 0.71 -1.08 0.00 0.00 175.30 175.19 2jkr s TYR 424 N -1.06 3.15 -0.36 5.89 1.51 -1.26 -0.48 117.35 124.74 2jkr s TYR 424 Ca -0.00 -0.15 -0.02 0.00 -1.01 0.00 0.00 57.07 55.89 2jkr s TYR 424 Cb -0.09 -2.10 0.09 0.00 -0.11 0.00 0.00 41.96 39.75 2jkr s TYR 424 CO 0.02 -0.04 0.11 0.42 -1.11 0.00 0.00 175.55 174.95 2jkr s ILE 425 N 0.74 3.08 -0.54 2.71 -1.09 0.03 -4.13 121.20 122.01 2jkr s ILE 425 Ca 0.02 -1.83 -0.16 0.00 -2.23 0.00 0.00 60.65 56.45 2jkr s ILE 425 Cb -0.14 -3.00 0.12 0.00 -1.58 0.00 0.00 42.46 37.86 2jkr s ILE 425 CO 0.02 -0.46 0.51 -0.83 -1.23 0.00 0.00 174.94 172.95 2jkr s GLY 426 N 1.51 2.05 0.29 6.18 0.00 0.25 -1.35 107.32 116.25 2jkr s GLY 426 Ca 0.03 -2.45 -0.10 0.00 0.00 0.00 0.00 44.72 42.21 2jkr s GLY 426 CO -0.03 1.22 0.63 0.50 0.00 0.00 0.00 173.10 175.42 2jkr s ARG 427 N 1.72 3.82 0.34 2.90 0.52 0.13 -0.52 118.95 127.85 2jkr s ARG 427 Ca 0.04 0.36 -0.28 0.00 -0.52 0.00 0.00 55.73 55.33 2jkr s ARG 427 Cb -0.29 -2.55 -0.10 0.00 0.52 0.00 0.00 34.95 32.53 2jkr s ARG 427 CO 0.04 0.20 1.30 -1.54 0.02 0.00 0.00 175.30 175.32 2jkr s SER 428 N -2.60 6.73 0.00 0.23 1.04 -0.70 -1.52 113.70 116.88 2jkr s SER 428 Ca 0.49 2.67 0.00 0.00 0.48 0.00 0.00 55.95 59.59 2jkr s SER 428 Cb -0.11 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.37 2jkr s SER 428 CO 0.23 -0.56 0.00 0.61 0.98 0.00 0.00 173.24 174.51 2jkr n GLY 429 N 0.79 0.58 3.49 7.32 0.00 0.35 -4.75 105.19 112.97 2jkr n GLY 429 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 2.55 4.70 -0.77 -0.61 -4.36 -1.26 -4.94 121.20 116.51 2jkr s ILE 430 Ca 0.00 -0.03 0.03 0.00 -0.26 0.00 0.00 60.65 60.39 2jkr s ILE 430 Cb 0.00 -4.35 0.20 0.00 1.25 0.00 0.00 42.46 39.56 2jkr s ILE 430 CO 0.00 -0.83 0.63 0.00 0.24 0.00 0.00 174.94 174.98 2jkr n TYR 431 N 6.62 3.58 -3.97 1.37 9.36 -1.26 -2.53 117.16 130.34 2jkr n TYR 431 Ca -0.02 -4.22 -0.35 0.00 3.32 0.00 0.00 57.90 56.63 2jkr n TYR 431 Cb 0.47 -0.79 -0.09 0.00 -0.63 0.00 0.00 39.34 38.30 2jkr n TYR 431 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 2jkr s GLU 432 N -1.58 3.92 -0.15 2.98 2.02 -0.12 -1.28 118.70 124.49 2jkr s GLU 432 Ca 0.27 -0.31 -0.04 0.00 0.02 0.00 0.00 54.97 54.92 2jkr s GLU 432 Cb -0.03 -3.23 -0.03 0.00 0.10 0.00 0.00 34.13 30.95 2jkr s GLU 432 CO -0.14 0.35 -0.03 0.99 0.02 0.00 0.00 175.26 176.45 2jkr s THR 433 N 0.18 3.99 0.30 3.63 2.01 0.12 -1.56 115.64 124.30 2jkr s THR 433 Ca 0.05 -0.33 -0.29 0.00 0.31 0.00 0.00 61.69 61.44 2jkr s THR 433 Cb -0.12 -2.75 -0.10 0.00 0.01 0.00 0.00 72.50 69.54 2jkr s THR 433 CO 0.00 0.50 1.17 -0.13 -0.69 0.00 0.00 174.62 175.47 2jkr s ARG 434 N 0.28 4.54 0.00 4.92 0.52 0.01 -0.52 118.95 128.71 2jkr s ARG 434 Ca -0.03 1.95 0.25 0.00 -0.52 0.00 0.00 55.73 57.38 2jkr s ARG 434 Cb -0.14 -3.15 0.39 0.00 0.52 0.00 0.00 34.95 32.57 2jkr s ARG 434 CO 0.03 0.07 1.37 0.00 0.02 0.00 0.00 175.30 176.79