#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jkt s VAL 3 N 0.00 3.39 0.00 12.58 -7.23 -1.26 -5.01 120.40 122.88 1jkt s VAL 3 Ca 0.00 0.81 0.00 0.00 -1.81 0.00 0.00 61.98 60.98 1jkt s VAL 3 Cb 0.00 -3.31 0.00 0.00 0.56 0.00 0.00 36.38 33.63 1jkt s VAL 3 CO 0.00 -0.25 0.00 0.49 -0.31 0.00 0.00 175.10 175.03 1jkt n PHE 4 N -1.48 0.00 -4.43 2.82 3.72 -1.26 -5.10 117.46 111.73 1jkt n PHE 4 Ca 0.11 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.28 1jkt n PHE 4 Cb 0.52 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 38.89 1jkt n PHE 4 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1jkt s ARG 5 N 0.52 1.40 -0.47 -1.08 1.81 -0.92 -4.95 118.95 115.26 1jkt s ARG 5 Ca 0.00 -0.31 0.03 0.00 -1.72 0.00 0.00 55.73 53.73 1jkt s ARG 5 Cb 0.00 -1.21 0.14 0.00 -0.45 0.00 0.00 34.95 33.42 1jkt s ARG 5 CO 0.00 -0.01 0.26 -0.65 -0.68 0.00 0.00 175.30 174.21 1jkt s GLN 6 N 0.76 1.46 0.00 3.54 -0.21 -1.23 0.29 119.66 124.27 1jkt s GLN 6 Ca -0.13 -2.18 0.00 0.00 0.02 0.00 0.00 55.36 53.06 1jkt s GLN 6 Cb -0.15 -2.55 0.00 0.00 1.00 0.00 0.00 33.01 31.31 1jkt s GLN 6 CO 0.02 -1.16 0.00 0.39 -2.12 0.00 0.00 175.29 172.42 1jkt n GLU 7 N 3.38 0.00 -3.74 2.91 1.02 -1.26 -5.06 120.64 117.89 1jkt n GLU 7 Ca 0.09 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.85 1jkt n GLU 7 Cb 0.34 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.64 1jkt n GLU 7 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1jkt s ASN 8 N 2.00 5.32 0.45 1.62 3.84 -1.26 -4.80 114.94 122.11 1jkt s ASN 8 Ca 0.00 -1.28 0.17 0.00 0.21 0.00 0.00 52.86 51.96 1jkt s ASN 8 Cb 0.00 -1.87 1.12 0.00 -0.55 0.00 0.00 41.25 39.95 1jkt s ASN 8 CO 0.00 -0.37 1.93 1.62 -2.79 0.00 0.00 177.10 177.49 1jkt h VAL 9 N 6.20 0.78 -1.39 -5.21 3.04 -1.99 -1.85 116.25 115.84 1jkt h VAL 9 Ca -0.22 -0.12 0.48 0.00 -1.01 0.00 0.00 66.70 65.83 1jkt h VAL 9 Cb 1.08 0.41 -0.14 0.00 -2.01 0.00 0.00 31.29 30.63 1jkt h VAL 9 CO 0.63 0.06 0.89 0.47 -1.01 0.00 0.00 177.57 178.61 1jkt n ASP 10 N -4.46 0.21 0.00 3.17 8.00 -1.26 0.33 116.55 122.55 1jkt n ASP 10 Ca 0.14 1.39 0.14 0.00 0.71 0.00 0.00 54.79 57.16 1jkt n ASP 10 Cb 0.55 -0.68 0.80 0.00 -0.02 0.00 0.00 41.12 41.77 1jkt n ASP 10 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1jkt n ASP 11 N -4.73 0.00 0.00 -2.24 8.00 -0.70 -3.97 116.55 112.92 1jkt n ASP 11 Ca 0.41 -1.08 0.00 0.00 0.71 0.00 0.00 54.79 54.82 1jkt n ASP 11 Cb 1.58 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.68 1jkt n ASP 11 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1jkt n TYR 12 N -0.94 0.00 -4.88 1.24 4.01 1.01 -4.95 117.16 112.65 1jkt n TYR 12 Ca 0.20 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.68 1jkt n TYR 12 Cb 0.09 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 38.97 1jkt n TYR 12 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1jkt s TYR 13 N -1.37 1.71 -0.37 -0.72 4.12 0.30 -1.59 117.35 119.42 1jkt s TYR 13 Ca 0.00 -0.40 -0.03 0.00 0.02 0.00 0.00 57.07 56.66 1jkt s TYR 13 Cb 0.00 -1.12 0.09 0.00 -1.52 0.00 0.00 41.96 39.41 1jkt s TYR 13 CO 0.00 -0.09 0.14 -0.51 0.02 0.00 0.00 175.55 175.10 1jkt s ASP 14 N -0.22 5.15 1.01 2.29 1.01 -1.24 -3.98 116.67 120.69 1jkt s ASP 14 Ca 0.02 -1.76 -0.01 0.00 0.71 0.00 0.00 52.55 51.52 1jkt s ASP 14 Cb -0.09 -1.79 0.01 0.00 1.01 0.00 0.00 42.92 42.06 1jkt s ASP 14 CO 0.01 -0.44 0.03 0.35 0.21 0.00 0.00 175.17 175.32 1jkt n THR 15 N 4.61 0.00 0.00 -1.27 -2.24 -1.26 -2.31 114.28 111.81 1jkt n THR 15 Ca -0.06 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1jkt n THR 15 Cb 0.42 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 1jkt n THR 15 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jkt n GLY 16 N 0.27 1.15 3.39 3.38 0.00 -0.66 -4.74 105.19 107.98 1jkt n GLY 16 Ca 0.00 0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 1jkt n GLY 16 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1jkt n GLU 17 N 0.00 0.31 -3.42 1.61 2.13 -1.26 -4.52 120.64 115.50 1jkt n GLU 17 Ca 0.00 0.13 -0.44 0.00 0.66 0.00 0.00 57.16 57.51 1jkt n GLU 17 Cb 0.00 -1.51 -0.05 0.00 0.27 0.00 0.00 31.44 30.15 1jkt n GLU 17 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1jkt s GLU 18 N -1.92 3.02 0.05 5.31 2.12 -1.26 -0.88 118.70 125.14 1jkt s GLU 18 Ca 0.64 -2.05 -0.32 0.00 0.36 0.00 0.00 54.97 53.60 1jkt s GLU 18 Cb -0.43 -4.20 -0.17 0.00 0.26 0.00 0.00 34.13 29.59 1jkt s GLU 18 CO 0.59 -1.27 1.43 -0.07 -0.54 0.00 0.00 175.26 175.40 1jkt h LEU 19 N 8.24 -0.96 -7.44 2.70 4.07 1.18 -3.47 115.31 119.62 1jkt h LEU 19 Ca -0.12 0.03 -0.10 0.00 0.08 0.00 0.00 57.88 57.77 1jkt h LEU 19 Cb 1.06 0.25 -0.19 0.00 1.08 0.00 0.00 40.66 42.86 1jkt h LEU 19 CO 0.87 -0.67 -0.19 -0.83 -1.08 0.00 0.00 178.44 176.54 1jkt s GLY 20 N -1.94 -0.22 -0.16 0.83 0.00 -1.10 -4.90 107.32 99.84 1jkt s GLY 20 Ca -0.17 0.42 -0.04 0.00 0.00 0.00 0.00 44.72 44.93 1jkt s GLY 20 CO 0.50 0.18 0.08 -0.45 0.00 0.00 0.00 173.10 173.41 1jkt s SER 21 N -1.47 2.28 0.00 1.64 0.15 -1.26 0.63 113.70 115.68 1jkt s SER 21 Ca -0.11 -0.56 0.00 0.00 0.70 0.00 0.00 55.95 55.98 1jkt s SER 21 Cb -0.04 -0.28 0.00 0.00 -1.71 0.00 0.00 66.02 63.99 1jkt s SER 21 CO 0.03 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.75 1jkt n GLY 22 N 5.25 -0.72 0.01 9.45 0.00 0.14 -4.90 105.19 114.42 1jkt n GLY 22 Ca -0.07 -0.16 0.04 0.00 0.00 0.00 0.00 46.02 45.82 1jkt n GLY 22 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1jkt n GLN 23 N 0.00 0.51 -2.37 1.61 7.27 -1.26 -4.65 117.38 118.49 1jkt n GLN 23 Ca 0.00 -0.08 0.01 0.00 0.07 0.00 0.00 57.00 57.01 1jkt n GLN 23 Cb 0.00 -1.22 0.04 0.00 2.41 0.00 0.00 30.24 31.47 1jkt n GLN 23 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 1jkt n PHE 24 N -1.87 0.79 -3.60 3.69 3.72 -1.26 -4.82 117.46 114.10 1jkt n PHE 24 Ca -0.03 -1.56 -0.04 0.00 -0.05 0.00 0.00 57.45 55.77 1jkt n PHE 24 Cb 0.30 -0.18 -0.02 0.00 -0.94 0.00 0.00 39.48 38.63 1jkt n PHE 24 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1jkt s ALA 25 N -2.44 -2.09 0.01 4.37 0.00 -1.26 0.23 121.76 120.59 1jkt s ALA 25 Ca 0.29 1.52 0.01 0.00 0.00 0.00 0.00 51.96 53.78 1jkt s ALA 25 Cb 0.34 -0.08 -0.01 0.00 0.00 0.00 0.00 23.12 23.38 1jkt s ALA 25 CO -0.09 -0.64 -0.04 0.54 0.00 0.00 0.00 175.76 175.54 1jkt s VAL 26 N -2.41 0.26 -0.31 0.00 0.11 -1.17 0.26 120.40 117.15 1jkt s VAL 26 Ca 0.10 -0.40 -0.09 0.00 -2.93 0.00 0.00 61.98 58.66 1jkt s VAL 26 Cb -0.00 -0.28 0.00 0.00 -1.53 0.00 0.00 36.38 34.57 1jkt s VAL 26 CO -0.04 -0.09 0.13 -0.69 -3.33 0.00 0.00 175.10 171.07 1jkt s VAL 27 N -0.49 4.39 -0.13 2.04 1.01 2.78 -3.57 120.40 126.43 1jkt s VAL 27 Ca -0.03 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.40 1jkt s VAL 27 Cb -0.04 -3.27 0.02 0.00 0.00 0.00 0.00 36.38 33.09 1jkt s VAL 27 CO -0.00 0.04 -0.15 -0.54 0.00 0.00 0.00 175.10 174.45 1jkt s LYS 28 N 1.57 2.29 1.05 2.72 1.02 -1.20 0.51 119.74 127.70 1jkt s LYS 28 Ca 0.04 -0.57 -0.17 0.00 0.02 0.00 0.00 55.97 55.29 1jkt s LYS 28 Cb -0.17 -2.02 0.07 0.00 -0.52 0.00 0.00 37.83 35.19 1jkt s LYS 28 CO 0.05 -0.14 0.10 1.63 -0.92 0.00 0.00 175.35 176.07 1jkt n LYS 29 N 4.46 -1.05 -3.64 1.68 5.02 -0.06 -2.41 118.16 122.17 1jkt n LYS 29 Ca -0.18 -0.28 -0.03 0.00 -2.02 0.00 0.00 58.31 55.80 1jkt n LYS 29 Cb 0.51 -1.73 -0.06 0.00 -0.02 0.00 0.00 35.03 33.73 1jkt n LYS 29 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jkt n ARG 31 N 1.12 1.54 -3.78 0.00 0.63 -0.98 0.50 116.66 115.69 1jkt n ARG 31 Ca -0.06 0.00 -0.19 0.00 -0.92 0.00 0.00 57.85 56.68 1jkt n ARG 31 Cb 0.58 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 33.43 1jkt n ARG 31 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1jkt n GLU 32 N -0.62 0.71 -0.06 -0.14 2.13 -1.26 -3.66 120.64 117.74 1jkt n GLU 32 Ca 0.00 -2.55 -0.19 0.00 0.66 0.00 0.00 57.16 55.07 1jkt n GLU 32 Cb 0.00 1.33 -0.13 0.00 0.27 0.00 0.00 31.44 32.90 1jkt n GLU 32 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1jkt n LYS 33 N -0.70 0.71 -1.05 5.31 5.02 -0.62 -4.01 118.16 122.81 1jkt n LYS 33 Ca -0.05 0.20 -0.12 0.00 -2.02 0.00 0.00 58.31 56.32 1jkt n LYS 33 Cb 0.45 -1.62 0.17 0.00 -0.02 0.00 0.00 35.03 34.01 1jkt n LYS 33 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1jkt n SER 34 N -3.35 3.38 0.00 4.39 7.64 -1.26 -4.67 113.62 119.74 1jkt n SER 34 Ca -0.38 -3.77 0.00 0.00 1.01 0.00 0.00 58.87 55.73 1jkt n SER 34 Cb 1.02 -0.67 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 1jkt n SER 34 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1jkt n THR 35 N -1.07 0.00 -0.84 0.44 -2.24 -1.26 -4.98 114.28 104.33 1jkt n THR 35 Ca 0.41 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.19 1jkt n THR 35 Cb 1.09 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 1jkt n THR 35 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jkt n GLY 36 N -0.52 0.41 3.57 3.38 0.00 -1.26 -4.87 105.19 105.91 1jkt n GLY 36 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1jkt n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jkt s LEU 37 N 0.00 3.05 -0.39 0.99 1.43 -1.26 -4.73 118.68 117.77 1jkt s LEU 37 Ca 0.00 -1.01 -0.40 0.00 -1.03 0.00 0.00 54.13 51.70 1jkt s LEU 37 Cb 0.00 -2.57 -0.15 0.00 0.03 0.00 0.00 46.19 43.50 1jkt s LEU 37 CO 0.00 -3.08 2.05 0.00 0.23 0.00 0.00 176.35 175.55 1jkt n GLN 38 N 8.60 0.69 0.00 1.70 6.02 -1.26 -4.46 117.38 128.66 1jkt n GLN 38 Ca 0.42 0.21 0.00 0.00 -0.01 0.00 0.00 57.00 57.62 1jkt n GLN 38 Cb 0.46 -2.03 0.00 0.00 1.02 0.00 0.00 30.24 29.69 1jkt n GLN 38 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1jkt n TYR 39 N 7.87 0.00 0.00 1.08 4.01 1.87 -4.58 117.16 127.42 1jkt n TYR 39 Ca 0.42 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.16 1jkt n TYR 39 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.14 1jkt n TYR 39 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1jkt n ALA 40 N -3.00 0.00 -1.87 -0.72 0.00 -1.25 -1.65 120.51 112.02 1jkt n ALA 40 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 1jkt n ALA 40 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1jkt n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jkt s ALA 41 N 0.00 3.36 -0.13 0.00 0.00 -1.01 -3.78 121.76 120.20 1jkt s ALA 41 Ca 0.00 0.74 -0.04 0.00 0.00 0.00 0.00 51.96 52.66 1jkt s ALA 41 Cb 0.00 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.80 1jkt s ALA 41 CO 0.00 -0.01 0.00 0.21 0.00 0.00 0.00 175.76 175.96 1jkt s LYS 42 N -0.96 3.45 -0.11 0.00 2.20 0.19 -3.27 119.74 121.24 1jkt s LYS 42 Ca 0.44 -0.43 0.03 0.00 -0.36 0.00 0.00 55.97 55.66 1jkt s LYS 42 Cb -0.28 -2.94 0.01 0.00 -1.51 0.00 0.00 37.83 33.11 1jkt s LYS 42 CO 0.35 0.45 -0.22 -0.06 -0.36 0.00 0.00 175.35 175.52 1jkt s PHE 43 N -0.19 2.44 -0.18 4.03 0.40 -1.23 0.18 117.98 123.43 1jkt s PHE 43 Ca 0.05 -1.08 -0.01 0.00 -0.60 0.00 0.00 56.93 55.29 1jkt s PHE 43 Cb -0.12 -1.66 0.00 0.00 0.51 0.00 0.00 43.02 41.75 1jkt s PHE 43 CO 0.02 -0.47 -0.13 0.42 0.70 0.00 0.00 175.22 175.76 1jkt s ILE 44 N 0.57 2.76 -0.02 0.64 1.01 -1.14 -3.03 121.20 121.99 1jkt s ILE 44 Ca -0.14 -0.72 -0.30 0.00 0.00 0.00 0.00 60.65 59.50 1jkt s ILE 44 Cb -0.17 -2.20 -0.08 0.00 0.01 0.00 0.00 42.46 40.03 1jkt s ILE 44 CO 0.04 0.49 1.95 -0.75 0.00 0.00 0.00 174.94 176.67 1jkt s LYS 45 N 1.14 4.00 0.00 2.79 2.47 0.64 -4.12 119.74 126.65 1jkt s LYS 45 Ca 0.01 2.44 0.00 0.00 -1.56 0.00 0.00 55.97 56.86 1jkt s LYS 45 Cb -0.14 -4.16 0.00 0.00 -1.46 0.00 0.00 37.83 32.06 1jkt s LYS 45 CO -0.04 -1.11 0.00 1.63 0.16 0.00 0.00 175.35 175.99 1jkt n LYS 46 N 7.66 2.95 -3.72 4.03 5.02 -1.25 0.15 118.16 132.99 1jkt n LYS 46 Ca 0.21 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.38 1jkt n LYS 46 Cb 0.42 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.30 1jkt n LYS 46 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1jkt s ARG 47 N 0.00 0.24 0.10 1.97 0.52 -1.22 0.03 118.95 120.59 1jkt s ARG 47 Ca 0.00 0.58 -0.34 0.00 -0.52 0.00 0.00 55.73 55.45 1jkt s ARG 47 Cb 0.00 -0.10 -0.14 0.00 0.52 0.00 0.00 34.95 35.22 1jkt s ARG 47 CO 0.00 -0.16 1.56 0.00 0.02 0.00 0.00 175.30 176.72 1jkt h ARG 48 N 7.20 -0.76 -6.41 3.54 2.47 -1.96 -3.43 114.38 115.02 1jkt h ARG 48 Ca -0.40 0.05 -0.62 0.00 -1.26 0.00 0.00 59.98 57.76 1jkt h ARG 48 Cb 1.16 0.17 -0.13 0.00 -1.65 0.00 0.00 29.97 29.52 1jkt h ARG 48 CO 0.36 -0.51 -0.71 0.95 0.56 0.00 0.00 179.97 180.62 1jkt s THR 49 N -5.81 3.25 -0.83 2.04 -4.23 -1.26 -4.97 115.64 103.83 1jkt s THR 49 Ca -0.17 -1.66 0.00 0.00 -1.18 0.00 0.00 61.69 58.68 1jkt s THR 49 Cb 0.06 -2.63 0.00 0.00 1.34 0.00 0.00 72.50 71.27 1jkt s THR 49 CO 0.61 -0.13 0.00 0.29 -0.54 0.00 0.00 174.62 174.85 1jkt n LYS 50 N -0.05 0.00 -1.36 3.99 5.02 -1.26 -0.78 118.16 123.72 1jkt n LYS 50 Ca -0.10 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.17 1jkt n LYS 50 Cb 0.56 -0.92 -0.02 0.00 -0.02 0.00 0.00 35.03 34.63 1jkt n LYS 50 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1jkt n SER 51 N 0.42 -0.08 -4.85 4.39 2.88 -1.26 -5.13 113.62 109.99 1jkt n SER 51 Ca 0.00 -2.01 -0.30 0.00 -1.33 0.00 0.00 58.87 55.23 1jkt n SER 51 Cb 0.00 0.04 0.06 0.00 -0.75 0.00 0.00 64.21 63.56 1jkt n SER 51 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1jkt s SER 52 N -1.54 5.16 0.00 -3.46 0.15 0.04 -4.98 113.70 109.08 1jkt s SER 52 Ca 0.16 1.25 0.08 0.00 0.70 0.00 0.00 55.95 58.13 1jkt s SER 52 Cb 0.20 -2.04 -0.08 0.00 -1.71 0.00 0.00 66.02 62.39 1jkt s SER 52 CO -0.08 -1.53 0.33 -2.11 1.20 0.00 0.00 173.24 171.05 1jkt n ARG 53 N -3.15 4.38 -4.02 5.44 0.00 -1.26 -4.93 116.66 113.12 1jkt n ARG 53 Ca 0.07 -0.03 -0.34 0.00 -0.00 0.00 0.00 57.85 57.55 1jkt n ARG 53 Cb 0.56 -0.87 -0.15 0.00 -0.00 0.00 0.00 32.46 32.01 1jkt n ARG 53 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1jkt s ARG 54 N -1.68 2.70 0.00 2.89 3.00 -1.26 -5.01 118.95 119.58 1jkt s ARG 54 Ca 0.03 -1.05 0.00 0.00 0.00 0.00 0.00 55.73 54.71 1jkt s ARG 54 Cb 0.06 -2.89 0.00 0.00 0.00 0.00 0.00 34.95 32.12 1jkt s ARG 54 CO 0.30 -0.42 0.00 0.41 0.00 0.00 0.00 175.30 175.60 1jkt n GLY 55 N 4.60 0.11 3.51 -3.53 0.00 -1.21 -4.37 105.19 104.30 1jkt n GLY 55 Ca -0.17 -1.91 -0.15 0.00 0.00 0.00 0.00 46.02 43.79 1jkt n GLY 55 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jkt s VAL 56 N 0.00 0.00 1.04 1.61 1.01 0.39 -4.90 120.40 119.55 1jkt s VAL 56 Ca 0.00 -0.04 -0.13 0.00 0.00 0.00 0.00 61.98 61.80 1jkt s VAL 56 Cb 0.00 -0.90 0.21 0.00 0.00 0.00 0.00 36.38 35.68 1jkt s VAL 56 CO 0.00 -0.02 1.10 -0.44 0.00 0.00 0.00 175.10 175.73 1jkt s SER 57 N -0.31 2.29 0.05 3.32 0.01 -1.26 -3.40 113.70 114.40 1jkt s SER 57 Ca -0.05 1.08 -0.30 0.00 1.31 0.00 0.00 55.95 57.99 1jkt s SER 57 Cb -0.03 -1.68 -0.18 0.00 0.21 0.00 0.00 66.02 64.34 1jkt s SER 57 CO 0.04 -3.33 1.47 -0.09 0.41 0.00 0.00 173.24 171.75 1jkt h ARG 58 N -2.03 -0.73 -0.82 12.44 9.65 -1.99 -3.04 114.38 127.86 1jkt h ARG 58 Ca -0.54 0.05 0.14 0.00 -1.10 0.00 0.00 59.98 58.54 1jkt h ARG 58 Cb 1.33 0.17 -0.14 0.00 -1.39 0.00 0.00 29.97 29.93 1jkt h ARG 58 CO 0.55 -0.44 -0.27 -1.91 2.80 0.00 0.00 179.97 180.69 1jkt n GLU 59 N -5.37 -0.14 -0.19 0.20 2.13 -1.26 0.85 120.64 116.85 1jkt n GLU 59 Ca -0.12 1.27 -0.08 0.00 0.66 0.00 0.00 57.16 58.89 1jkt n GLU 59 Cb 0.33 -1.89 0.02 0.00 0.27 0.00 0.00 31.44 30.17 1jkt n GLU 59 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1jkt h ASP 60 N 0.00 0.73 0.00 4.31 5.19 -1.94 -0.23 116.42 124.48 1jkt h ASP 60 Ca 0.33 -0.15 0.00 0.00 -0.62 0.00 0.00 57.03 56.59 1jkt h ASP 60 Cb 0.54 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 39.86 1jkt h ASP 60 CO -0.83 0.68 0.00 -0.38 -3.12 0.00 0.00 179.24 175.59 1jkt n ILE 61 N -4.54 0.00 -0.29 0.35 5.41 0.25 0.12 119.36 120.66 1jkt n ILE 61 Ca 0.03 0.54 0.27 0.00 1.00 0.00 0.00 62.75 64.59 1jkt n ILE 61 Cb 0.14 -1.46 0.41 0.00 -0.71 0.00 0.00 39.64 38.02 1jkt n ILE 61 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 1jkt n GLU 62 N -0.04 0.01 0.10 0.38 -0.00 -0.53 0.11 120.64 120.67 1jkt n GLU 62 Ca 0.00 0.75 -0.04 0.00 -0.00 0.00 0.00 57.16 57.87 1jkt n GLU 62 Cb 0.00 -1.82 -0.02 0.00 -0.00 0.00 0.00 31.44 29.59 1jkt n GLU 62 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 1jkt h ARG 63 N 0.00 -0.28 -1.02 3.44 2.43 -0.51 0.32 114.38 118.76 1jkt h ARG 63 Ca 0.47 0.02 0.30 0.00 -0.81 0.00 0.00 59.98 59.96 1jkt h ARG 63 Cb 2.35 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 31.92 1jkt h ARG 63 CO -0.00 -0.19 0.76 1.49 -1.51 0.00 0.00 179.97 180.52 1jkt h GLU 64 N -0.56 0.00 0.14 0.20 4.81 0.50 0.27 114.58 119.94 1jkt h GLU 64 Ca -0.03 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1jkt h GLU 64 Cb 0.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.61 1jkt h GLU 64 CO 0.05 0.00 -0.06 0.28 -0.73 0.00 0.00 179.01 178.54 1jkt h VAL 65 N 0.00 0.00 0.00 0.32 2.07 -1.06 -2.10 116.25 115.48 1jkt h VAL 65 Ca 0.48 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.81 1jkt h VAL 65 Cb 2.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1jkt h VAL 65 CO -0.01 0.00 0.19 -1.28 0.02 0.00 0.00 177.57 176.50 1jkt h SER 66 N -0.38 0.00 0.44 0.57 0.87 0.13 0.93 113.55 116.12 1jkt h SER 66 Ca -0.02 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 60.23 1jkt h SER 66 Cb 0.14 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1jkt h SER 66 CO 0.03 0.00 -1.52 0.40 -0.53 0.00 0.00 176.83 175.21 1jkt h ILE 67 N 0.00 1.18 0.20 2.23 2.04 -0.60 -3.36 117.51 119.20 1jkt h ILE 67 Ca 0.00 -2.80 -0.01 0.00 1.00 0.00 0.00 64.86 63.05 1jkt h ILE 67 Cb 0.39 2.79 0.00 0.00 -0.74 0.00 0.00 36.82 39.26 1jkt h ILE 67 CO 0.00 0.83 -0.10 -0.07 0.00 0.00 0.00 178.15 178.81 1jkt h LEU 68 N 0.07 -0.23 0.00 1.44 4.07 0.13 -3.26 115.31 117.54 1jkt h LEU 68 Ca -0.24 -0.06 0.00 0.00 0.08 0.00 0.00 57.88 57.66 1jkt h LEU 68 Cb 2.02 0.06 0.00 0.00 1.08 0.00 0.00 40.66 43.82 1jkt h LEU 68 CO 0.17 0.26 0.03 1.17 -1.08 0.00 0.00 178.44 178.99 1jkt n LYS 69 N -4.95 0.00 -0.02 1.13 4.81 0.18 0.19 118.16 119.50 1jkt n LYS 69 Ca -0.04 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.45 1jkt n LYS 69 Cb 0.14 -1.53 -0.12 0.00 0.02 0.00 0.00 35.03 33.54 1jkt n LYS 69 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1jkt n GLU 70 N -0.59 0.70 -1.59 1.64 1.02 -1.23 -5.04 120.64 115.55 1jkt n GLU 70 Ca 0.00 -0.12 -0.29 0.00 -0.02 0.00 0.00 57.16 56.73 1jkt n GLU 70 Cb 0.03 -1.38 0.15 0.00 -0.02 0.00 0.00 31.44 30.23 1jkt n GLU 70 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1jkt s ILE 71 N -2.95 1.94 0.00 -3.67 1.01 0.50 -5.07 121.20 112.96 1jkt s ILE 71 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.59 1jkt s ILE 71 Cb 0.09 -2.79 0.00 0.00 0.01 0.00 0.00 42.46 39.77 1jkt s ILE 71 CO 0.65 0.00 0.00 1.67 0.00 0.00 0.00 174.94 177.26 1jkt n GLN 72 N -3.86 0.00 -3.60 2.79 -0.06 -1.26 -4.81 117.38 106.58 1jkt n GLN 72 Ca 0.09 0.00 -0.06 0.00 -2.00 0.00 0.00 57.00 55.03 1jkt n GLN 72 Cb 0.59 0.00 -0.04 0.00 -4.06 0.00 0.00 30.24 26.74 1jkt n GLN 72 CO 0.00 0.00 0.00 -1.58 -0.20 0.00 0.00 177.06 175.28 1jkt s HIS 73 N 0.00 -0.20 0.00 3.69 2.46 -1.26 -5.11 115.29 114.87 1jkt s HIS 73 Ca 0.00 0.29 0.00 0.00 0.47 0.00 0.00 55.06 55.82 1jkt s HIS 73 Cb 0.00 0.48 0.00 0.00 -0.13 0.00 0.00 32.58 32.93 1jkt s HIS 73 CO 0.00 -0.22 0.00 -2.30 -2.47 0.00 0.00 174.74 169.75 1jkt n PRO 74 N 0.42 0.00 0.00 2.88 -0.02 -1.26 -2.33 135.00 134.69 1jkt n PRO 74 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 1jkt n PRO 74 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.07 1jkt n PRO 74 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1jkt n ASN 75 N 0.00 0.00 -3.77 2.55 4.13 -1.26 -4.33 115.26 112.58 1jkt n ASN 75 Ca 0.00 0.00 -0.27 0.00 1.68 0.00 0.00 54.58 55.99 1jkt n ASN 75 Cb 0.00 0.00 -0.17 0.00 -1.54 0.00 0.00 39.78 38.07 1jkt n ASN 75 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 1jkt s VAL 76 N -0.90 0.62 0.80 2.41 -7.23 -0.98 -0.07 120.40 115.05 1jkt s VAL 76 Ca 0.00 -0.50 -0.16 0.00 -1.81 0.00 0.00 61.98 59.51 1jkt s VAL 76 Cb 0.00 -1.03 -0.14 0.00 0.56 0.00 0.00 36.38 35.77 1jkt s VAL 76 CO 0.00 -0.09 -0.57 0.00 -0.31 0.00 0.00 175.10 174.13 1jkt n ILE 77 N 5.02 0.00 -4.42 -0.62 3.06 -1.07 -4.25 119.36 117.08 1jkt n ILE 77 Ca -0.09 -0.47 -0.22 0.00 -2.50 0.00 0.00 62.75 59.47 1jkt n ILE 77 Cb 0.47 0.00 -0.04 0.00 0.54 0.00 0.00 39.64 40.61 1jkt n ILE 77 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 1jkt n THR 78 N -2.08 0.00 -5.01 9.51 -2.24 -1.26 -4.80 114.28 108.41 1jkt n THR 78 Ca 0.01 -1.63 -0.31 0.00 -2.27 0.00 0.00 64.05 59.84 1jkt n THR 78 Cb 0.50 0.26 -0.17 0.00 -2.10 0.00 0.00 70.33 68.83 1jkt n THR 78 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1jkt s LEU 79 N 0.00 2.04 -0.04 3.22 0.20 -1.26 -2.73 118.68 120.11 1jkt s LEU 79 Ca 0.03 -0.54 -0.01 0.00 0.69 0.00 0.00 54.13 54.29 1jkt s LEU 79 Cb -0.00 -1.35 -0.00 0.00 -0.43 0.00 0.00 46.19 44.40 1jkt s LEU 79 CO 0.02 0.12 -0.03 -0.74 -0.29 0.00 0.00 176.35 175.43 1jkt h HIS 80 N 6.90 0.00 -3.07 5.38 -0.00 -1.81 -3.49 115.15 119.06 1jkt h HIS 80 Ca -0.24 0.00 -0.09 0.00 -0.00 0.00 0.00 60.37 60.04 1jkt h HIS 80 Cb 1.22 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.62 1jkt h HIS 80 CO 0.47 0.00 0.09 0.39 -0.00 0.00 0.00 177.93 178.89 1jkt n GLU 81 N -2.96 0.76 -4.85 5.26 1.02 -1.25 -5.09 120.64 113.53 1jkt n GLU 81 Ca -0.01 -1.90 -0.28 0.00 -0.02 0.00 0.00 57.16 54.95 1jkt n GLU 81 Cb 0.04 2.15 -0.17 0.00 -0.02 0.00 0.00 31.44 33.44 1jkt n GLU 81 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1jkt s VAL 82 N -2.46 1.53 -0.26 2.62 1.01 -1.26 -3.16 120.40 118.43 1jkt s VAL 82 Ca 0.16 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.45 1jkt s VAL 82 Cb -0.03 -1.36 0.05 0.00 0.00 0.00 0.00 36.38 35.05 1jkt s VAL 82 CO 0.12 0.44 -0.10 -0.31 0.00 0.00 0.00 175.10 175.26 1jkt s TYR 83 N 0.53 3.20 -0.06 5.22 4.12 -1.04 -2.16 117.35 127.16 1jkt s TYR 83 Ca -0.16 -2.12 0.03 0.00 0.02 0.00 0.00 57.07 54.84 1jkt s TYR 83 Cb -0.17 -1.97 -0.02 0.00 -1.52 0.00 0.00 41.96 38.28 1jkt s TYR 83 CO 0.06 -0.85 -0.15 -1.83 0.02 0.00 0.00 175.55 172.80 1jkt s GLU 84 N 1.16 2.61 0.07 -0.62 -1.05 0.85 -0.53 118.70 121.19 1jkt s GLU 84 Ca -0.06 -0.72 0.00 0.00 -0.15 0.00 0.00 54.97 54.04 1jkt s GLU 84 Cb -0.19 -2.38 -0.04 0.00 -0.44 0.00 0.00 34.13 31.08 1jkt s GLU 84 CO -0.05 0.55 -0.05 0.54 0.95 0.00 0.00 175.26 177.20 1jkt s ASN 85 N -0.53 0.80 0.00 0.83 4.22 -0.51 -3.48 114.94 116.27 1jkt s ASN 85 Ca 0.07 -0.96 0.00 0.00 -2.14 0.00 0.00 52.86 49.83 1jkt s ASN 85 Cb -0.12 0.14 0.00 0.00 1.28 0.00 0.00 41.25 42.55 1jkt s ASN 85 CO 0.01 -0.51 0.32 0.29 -2.04 0.00 0.00 177.10 175.18 1jkt n LYS 86 N 0.17 0.00 0.09 3.55 4.76 -1.26 -2.17 118.16 123.30 1jkt n LYS 86 Ca -0.14 0.32 -0.15 0.00 -2.87 0.00 0.00 58.31 55.47 1jkt n LYS 86 Cb 0.60 -0.52 -0.08 0.00 -1.84 0.00 0.00 35.03 33.18 1jkt n LYS 86 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1jkt h THR 87 N 0.00 0.07 -3.02 -0.18 2.02 -2.01 -3.46 112.91 106.33 1jkt h THR 87 Ca 0.00 0.00 -0.55 0.00 0.77 0.00 0.00 66.41 66.63 1jkt h THR 87 Cb 0.00 0.07 -0.13 0.00 -1.74 0.00 0.00 68.15 66.35 1jkt h THR 87 CO 0.00 0.00 -0.51 -1.81 0.37 0.00 0.00 175.52 173.57 1jkt s ASP 88 N -4.72 2.61 -0.15 4.18 1.01 -0.92 -4.13 116.67 114.55 1jkt s ASP 88 Ca -0.16 -1.70 -0.01 0.00 0.71 0.00 0.00 52.55 51.38 1jkt s ASP 88 Cb 0.07 0.54 -0.02 0.00 1.01 0.00 0.00 42.92 44.53 1jkt s ASP 88 CO 0.62 -0.97 -0.10 -0.69 0.21 0.00 0.00 175.17 174.24 1jkt s VAL 89 N -3.25 3.25 -0.22 -1.27 1.01 -1.26 -1.43 120.40 117.24 1jkt s VAL 89 Ca 0.26 -0.58 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 1jkt s VAL 89 Cb 0.02 -2.39 0.00 0.00 0.00 0.00 0.00 36.38 34.01 1jkt s VAL 89 CO 0.17 0.51 -0.07 -0.63 0.00 0.00 0.00 175.10 175.07 1jkt s ILE 90 N 0.49 3.08 -0.29 2.22 1.09 0.31 -2.87 121.20 125.24 1jkt s ILE 90 Ca -0.07 -0.63 -0.29 0.00 -1.10 0.00 0.00 60.65 58.56 1jkt s ILE 90 Cb -0.15 -2.40 0.01 0.00 -1.06 0.00 0.00 42.46 38.86 1jkt s ILE 90 CO 0.04 0.42 1.15 -0.76 -0.10 0.00 0.00 174.94 175.69 1jkt s LEU 91 N 1.43 3.96 -1.23 2.97 1.43 0.48 -2.50 118.68 125.22 1jkt s LEU 91 Ca 0.05 1.18 -0.12 0.00 -1.03 0.00 0.00 54.13 54.22 1jkt s LEU 91 Cb -0.14 -3.54 0.18 0.00 0.03 0.00 0.00 46.19 42.71 1jkt s LEU 91 CO -0.05 -0.90 1.58 -0.38 0.23 0.00 0.00 176.35 176.83 1jkt n ILE 92 N 5.85 4.33 -2.48 -0.59 2.08 -1.19 0.56 119.36 127.94 1jkt n ILE 92 Ca 0.13 -4.68 -0.33 0.00 0.56 0.00 0.00 62.75 58.43 1jkt n ILE 92 Cb 0.47 -2.42 -0.04 0.00 -0.75 0.00 0.00 39.64 36.90 1jkt n ILE 92 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 1jkt s LEU 93 N 0.75 3.73 -0.24 1.39 1.43 -1.25 -2.38 118.68 122.11 1jkt s LEU 93 Ca 0.41 1.71 -0.28 0.00 -1.03 0.00 0.00 54.13 54.95 1jkt s LEU 93 Cb 0.01 -4.53 -0.05 0.00 0.03 0.00 0.00 46.19 41.65 1jkt s LEU 93 CO 0.00 -0.67 2.21 -0.70 0.23 0.00 0.00 176.35 177.43 1jkt s GLU 94 N -3.67 3.07 0.10 1.70 2.12 -1.10 -4.24 118.70 116.67 1jkt s GLU 94 Ca 0.62 1.96 -0.36 0.00 0.36 0.00 0.00 54.97 57.55 1jkt s GLU 94 Cb -0.12 -4.38 -0.16 0.00 0.26 0.00 0.00 34.13 29.73 1jkt s GLU 94 CO 0.25 -2.17 1.39 -0.11 -0.54 0.00 0.00 175.26 174.08 1jkt n LEU 95 N 11.90 1.93 -4.33 2.70 7.94 -1.26 -4.81 117.00 131.07 1jkt n LEU 95 Ca 0.30 1.11 -0.17 0.00 -1.11 0.00 0.00 56.01 56.14 1jkt n LEU 95 Cb 0.46 -1.24 -0.10 0.00 0.53 0.00 0.00 43.42 43.07 1jkt n LEU 95 CO 0.66 -0.89 -0.37 -0.69 -1.11 0.00 0.00 177.39 174.99 1jkt s VAL 96 N 0.61 1.25 0.00 1.96 1.01 -1.26 -5.04 120.40 118.93 1jkt s VAL 96 Ca 0.84 -2.08 0.00 0.00 0.00 0.00 0.00 61.98 60.74 1jkt s VAL 96 Cb -0.90 -2.20 0.00 0.00 0.00 0.00 0.00 36.38 33.28 1jkt s VAL 96 CO 0.45 -0.46 0.02 0.00 0.00 0.00 0.00 175.10 175.11 1jkt n ALA 97 N -0.38 0.32 0.26 5.51 0.00 -1.24 -4.90 120.51 120.07 1jkt n ALA 97 Ca -0.07 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.49 1jkt n ALA 97 Cb 0.63 0.00 0.69 0.00 0.00 0.00 0.00 19.45 20.77 1jkt n ALA 97 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1jkt h GLY 98 N 0.00 0.00 0.00 0.00 0.00 0.20 -3.43 103.07 99.84 1jkt h GLY 98 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1jkt h GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1jkt n GLY 99 N -0.43 1.58 3.56 4.60 0.00 -1.26 -4.36 105.19 108.87 1jkt n GLY 99 Ca -0.01 -0.67 -0.43 0.00 0.00 0.00 0.00 46.02 44.91 1jkt n GLY 99 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jkt s GLU 100 N 0.00 3.53 0.30 1.61 2.02 -1.26 -3.46 118.70 121.44 1jkt s GLU 100 Ca 0.00 0.04 0.04 0.00 0.02 0.00 0.00 54.97 55.07 1jkt s GLU 100 Cb 0.00 -3.89 0.66 0.00 0.10 0.00 0.00 34.13 30.99 1jkt s GLU 100 CO 0.00 -1.03 1.81 1.25 0.02 0.00 0.00 175.26 177.31 1jkt h LEU 101 N 10.02 0.85 -1.77 1.80 5.85 -1.78 3.28 115.31 133.55 1jkt h LEU 101 Ca -0.25 0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.61 1jkt h LEU 101 Cb 1.09 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 1jkt h LEU 101 CO 0.95 0.38 0.48 0.15 -0.34 0.00 0.00 178.44 180.06 1jkt h PHE 102 N 0.87 0.00 0.00 1.25 3.57 -1.84 -2.17 116.94 118.63 1jkt h PHE 102 Ca 0.54 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.88 1jkt h PHE 102 Cb 0.71 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.42 1jkt h PHE 102 CO -0.00 0.00 -1.31 -0.25 -2.23 0.00 0.00 178.31 174.51 1jkt n ASP 103 N -3.19 1.90 -0.35 0.41 9.92 1.07 -3.01 116.55 123.30 1jkt n ASP 103 Ca 0.03 0.43 0.13 0.00 -0.53 0.00 0.00 54.79 54.84 1jkt n ASP 103 Cb 0.59 -0.83 0.26 0.00 -0.64 0.00 0.00 41.12 40.49 1jkt n ASP 103 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1jkt n PHE 104 N -4.44 0.57 0.47 1.24 -0.00 0.15 0.34 117.46 115.79 1jkt n PHE 104 Ca -0.26 1.21 0.12 0.00 -0.00 0.00 0.00 57.45 58.52 1jkt n PHE 104 Cb 0.58 -1.21 0.23 0.00 -0.00 0.00 0.00 39.48 39.08 1jkt n PHE 104 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 1jkt h LEU 105 N 0.00 0.00 -0.42 -2.13 6.46 -1.63 -3.40 115.31 114.18 1jkt h LEU 105 Ca 0.58 -0.08 0.04 0.00 -0.12 0.00 0.00 57.88 58.29 1jkt h LEU 105 Cb 1.12 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 41.00 1jkt h LEU 105 CO -0.96 0.04 -0.25 0.00 -0.62 0.00 0.00 178.44 176.65 1jkt n ALA 106 N -1.90 -0.27 0.09 1.25 0.00 1.02 0.24 120.51 120.94 1jkt n ALA 106 Ca 0.04 0.36 0.18 0.00 0.00 0.00 0.00 53.44 54.02 1jkt n ALA 106 Cb 0.47 0.10 0.56 0.00 0.00 0.00 0.00 19.45 20.58 1jkt n ALA 106 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1jkt h GLU 107 N 0.00 0.00 -1.48 0.00 9.09 -1.78 0.26 114.58 120.67 1jkt h GLU 107 Ca 0.07 0.00 -0.72 0.00 0.05 0.00 0.00 59.36 58.76 1jkt h GLU 107 Cb 0.17 0.00 -0.29 0.00 -1.65 0.00 0.00 28.75 26.99 1jkt h GLU 107 CO -0.40 0.00 0.88 1.63 0.05 0.00 0.00 179.01 181.17 1jkt n LYS 108 N -3.22 2.76 0.00 1.06 5.02 0.66 -5.00 118.16 119.44 1jkt n LYS 108 Ca 0.09 -3.45 0.00 0.00 -2.02 0.00 0.00 58.31 52.93 1jkt n LYS 108 Cb 0.89 -2.28 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 1jkt n LYS 108 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1jkt n GLU 109 N -0.73 0.00 0.00 1.97 -0.00 0.90 -4.21 120.64 118.57 1jkt n GLU 109 Ca 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.74 1jkt n GLU 109 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.91 1jkt n GLU 109 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1jkt n SER 110 N 0.56 0.00 0.00 -1.84 3.41 -1.26 -4.64 113.62 109.85 1jkt n SER 110 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1jkt n SER 110 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1jkt n SER 110 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1jkt n LEU 111 N 0.00 0.00 -3.57 1.04 0.00 -1.26 -4.90 117.00 108.31 1jkt n LEU 111 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 56.01 55.95 1jkt n LEU 111 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 43.42 43.34 1jkt n LEU 111 CO 0.00 0.00 0.07 0.42 0.00 0.00 0.00 177.39 177.88 1jkt s THR 112 N 2.35 -0.73 0.11 1.96 -4.23 -1.26 -4.98 115.64 108.85 1jkt s THR 112 Ca 0.00 0.09 -0.04 0.00 -1.18 0.00 0.00 61.69 60.56 1jkt s THR 112 Cb 0.00 -0.77 0.16 0.00 1.34 0.00 0.00 72.50 73.23 1jkt s THR 112 CO 0.00 0.02 0.63 1.21 -0.54 0.00 0.00 174.62 175.94 1jkt n GLU 113 N 5.40 -0.05 0.47 3.99 2.13 -1.26 0.43 120.64 131.75 1jkt n GLU 113 Ca -0.08 0.63 -0.19 0.00 0.66 0.00 0.00 57.16 58.18 1jkt n GLU 113 Cb 0.50 -0.93 -0.09 0.00 0.27 0.00 0.00 31.44 31.18 1jkt n GLU 113 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1jkt h GLU 114 N 0.00 -1.15 0.00 5.31 4.39 -1.99 0.62 114.58 121.76 1jkt h GLU 114 Ca 0.18 0.08 -0.04 0.00 0.34 0.00 0.00 59.36 59.92 1jkt h GLU 114 Cb 0.28 0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 1jkt h GLU 114 CO -0.41 -0.76 -0.20 0.93 -1.16 0.00 0.00 179.01 177.41 1jkt h GLU 115 N -1.25 0.00 0.00 2.33 5.08 0.68 -3.11 114.58 118.32 1jkt h GLU 115 Ca -0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1jkt h GLU 115 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1jkt h GLU 115 CO 0.20 0.20 0.00 0.00 -1.00 0.00 0.00 179.01 178.41 1jkt n ALA 116 N -2.46 -0.02 -0.41 3.43 0.00 1.48 -3.07 120.51 119.47 1jkt n ALA 116 Ca -0.02 0.00 0.33 0.00 0.00 0.00 0.00 53.44 53.75 1jkt n ALA 116 Cb 0.26 0.00 0.54 0.00 0.00 0.00 0.00 19.45 20.25 1jkt n ALA 116 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1jkt n THR 117 N -0.55 -0.13 -0.31 0.00 -2.24 0.21 0.20 114.28 111.46 1jkt n THR 117 Ca 0.00 1.28 0.15 0.00 -2.27 0.00 0.00 64.05 63.21 1jkt n THR 117 Cb 0.00 -2.11 0.33 0.00 -2.10 0.00 0.00 70.33 66.44 1jkt n THR 117 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1jkt h GLU 118 N 0.00 0.33 0.20 -0.78 4.39 -1.46 1.39 114.58 118.65 1jkt h GLU 118 Ca 0.67 -0.02 -0.33 0.00 0.34 0.00 0.00 59.36 60.03 1jkt h GLU 118 Cb 2.34 -0.07 0.02 0.00 -0.10 0.00 0.00 28.75 30.93 1jkt h GLU 118 CO -0.25 0.22 -1.51 0.74 -1.16 0.00 0.00 179.01 177.05 1jkt h PHE 119 N 0.34 0.77 0.55 4.33 0.05 0.21 -3.25 116.94 119.94 1jkt h PHE 119 Ca 0.58 -0.56 -0.02 0.00 3.82 0.00 0.00 57.97 61.79 1jkt h PHE 119 Cb 1.16 -0.03 -0.02 0.00 2.00 0.00 0.00 35.95 39.07 1jkt h PHE 119 CO -0.15 1.52 -0.45 1.25 -0.18 0.00 0.00 178.31 180.30 1jkt h LEU 120 N 0.12 -1.18 0.00 1.54 7.12 -0.55 -1.18 115.31 121.17 1jkt h LEU 120 Ca -0.25 0.09 0.00 0.00 0.13 0.00 0.00 57.88 57.84 1jkt h LEU 120 Cb 2.10 0.38 0.00 0.00 -0.53 0.00 0.00 40.66 42.61 1jkt h LEU 120 CO 0.23 -0.63 0.02 0.29 -0.13 0.00 0.00 178.44 178.21 1jkt n LYS 121 N -5.55 0.00 -0.05 1.25 5.02 0.45 -1.50 118.16 117.79 1jkt n LYS 121 Ca -0.12 0.09 -0.22 0.00 -2.02 0.00 0.00 58.31 56.04 1jkt n LYS 121 Cb 0.44 -1.52 -0.13 0.00 -0.02 0.00 0.00 35.03 33.80 1jkt n LYS 121 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1jkt n GLN 122 N -1.03 0.68 -0.02 1.97 6.02 -0.45 -3.60 117.38 120.95 1jkt n GLN 122 Ca 0.00 0.35 -0.16 0.00 -0.01 0.00 0.00 57.00 57.18 1jkt n GLN 122 Cb 0.02 -1.69 -0.10 0.00 1.02 0.00 0.00 30.24 29.48 1jkt n GLN 122 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1jkt h ILE 123 N -0.32 1.47 -1.00 5.09 2.04 -1.19 -1.50 117.51 122.10 1jkt h ILE 123 Ca -0.43 -1.88 0.33 0.00 1.00 0.00 0.00 64.86 63.89 1jkt h ILE 123 Cb 1.78 2.54 -0.15 0.00 -0.74 0.00 0.00 36.82 40.25 1jkt h ILE 123 CO -0.05 0.53 0.54 -0.07 0.00 0.00 0.00 178.15 179.11 1jkt h LEU 124 N -0.27 0.45 -0.09 1.44 3.38 -1.59 2.30 115.31 120.93 1jkt h LEU 124 Ca -0.04 0.20 -0.24 0.00 0.09 0.00 0.00 57.88 57.90 1jkt h LEU 124 Cb 1.05 0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1jkt h LEU 124 CO 0.07 -0.19 -1.03 0.78 0.09 0.00 0.00 178.44 178.16 1jkt h ASN 125 N 0.26 0.46 -0.41 -0.43 4.21 -1.60 -2.69 115.58 115.39 1jkt h ASN 125 Ca 0.74 -0.41 -0.15 0.00 1.21 0.00 0.00 56.30 57.70 1jkt h ASN 125 Cb 1.74 -0.14 -0.01 0.00 -1.12 0.00 0.00 38.32 38.79 1jkt h ASN 125 CO -0.64 1.24 -0.33 1.23 -1.29 0.00 0.00 177.43 177.64 1jkt h GLY 126 N 1.42 1.04 0.52 2.83 0.00 0.43 -3.18 103.07 106.14 1jkt h GLY 126 Ca -0.09 -1.02 -0.00 0.00 0.00 0.00 0.00 47.33 46.22 1jkt h GLY 126 CO 0.17 0.92 -0.01 -2.08 0.00 0.00 0.00 176.54 175.55 1jkt h VAL 127 N 0.79 1.39 0.00 4.60 2.07 0.14 -3.36 116.25 121.87 1jkt h VAL 127 Ca 0.08 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.44 1jkt h VAL 127 Cb 0.92 2.16 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 1jkt h VAL 127 CO 0.09 0.30 0.00 0.00 0.02 0.00 0.00 177.57 177.98 1jkt n TYR 128 N -4.84 0.00 -0.07 1.57 9.36 -1.01 0.10 117.16 122.28 1jkt n TYR 128 Ca -0.08 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.14 1jkt n TYR 128 Cb 0.26 -0.04 0.01 0.00 -0.63 0.00 0.00 39.34 38.94 1jkt n TYR 128 CO 0.00 0.00 0.00 0.98 0.22 0.00 0.00 176.86 178.06 1jkt n TYR 129 N -1.09 0.03 0.06 2.98 9.36 -1.20 0.10 117.16 127.40 1jkt n TYR 129 Ca 0.00 0.22 -0.03 0.00 3.32 0.00 0.00 57.90 61.41 1jkt n TYR 129 Cb 0.00 -0.58 -0.01 0.00 -0.63 0.00 0.00 39.34 38.12 1jkt n TYR 129 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1jkt h LEU 130 N 0.00 -0.16 0.00 2.98 3.38 -0.48 -3.15 115.31 117.88 1jkt h LEU 130 Ca 0.07 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1jkt h LEU 130 Cb 0.12 0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1jkt h LEU 130 CO -0.18 -0.10 0.00 1.41 0.09 0.00 0.00 178.44 179.66 1jkt n HIS 131 N -2.54 0.00 0.00 1.13 8.25 0.29 0.43 115.22 122.78 1jkt n HIS 131 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1jkt n HIS 131 Cb 0.07 -0.18 0.00 0.00 1.12 0.00 0.00 29.99 31.00 1jkt n HIS 131 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1jkt n SER 132 N -2.28 0.00 -0.28 0.41 2.88 -1.13 0.15 113.62 113.38 1jkt n SER 132 Ca 0.00 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.57 1jkt n SER 132 Cb 0.00 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.52 1jkt n SER 132 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1jkt n LEU 133 N -0.71 2.31 -3.52 2.46 4.77 1.45 -5.01 117.00 118.76 1jkt n LEU 133 Ca 0.00 -1.90 -0.25 0.00 -0.03 0.00 0.00 56.01 53.84 1jkt n LEU 133 Cb 0.00 -0.09 0.05 0.00 -2.33 0.00 0.00 43.42 41.05 1jkt n LEU 133 CO 0.00 0.57 -0.02 0.00 -1.33 0.00 0.00 177.39 176.61 1jkt n GLN 134 N -0.01 -1.53 -2.99 3.23 1.13 0.40 -4.90 117.38 112.71 1jkt n GLN 134 Ca 0.05 0.64 -0.06 0.00 -1.94 0.00 0.00 57.00 55.69 1jkt n GLN 134 Cb 0.31 -4.67 -0.01 0.00 0.11 0.00 0.00 30.24 25.98 1jkt n GLN 134 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1jkt s ILE 135 N -3.40 -0.80 1.23 5.09 1.01 -1.25 -1.80 121.20 121.27 1jkt s ILE 135 Ca 0.44 -0.93 -0.18 0.00 0.00 0.00 0.00 60.65 59.98 1jkt s ILE 135 Cb -0.12 -0.19 0.29 0.00 0.01 0.00 0.00 42.46 42.45 1jkt s ILE 135 CO 0.82 -0.18 1.04 0.00 0.00 0.00 0.00 174.94 176.61 1jkt s ALA 136 N 1.07 0.01 -0.14 9.38 0.00 -1.22 -4.38 121.76 126.48 1jkt s ALA 136 Ca 0.26 -0.65 -0.10 0.00 0.00 0.00 0.00 51.96 51.47 1jkt s ALA 136 Cb -0.02 -3.02 -0.06 0.00 0.00 0.00 0.00 23.12 20.02 1jkt s ALA 136 CO -0.07 -3.83 -0.23 1.58 0.00 0.00 0.00 175.76 173.21 1jkt n HIS 137 N -4.96 0.00 0.00 0.00 -0.00 -1.26 -3.43 115.22 105.57 1jkt n HIS 137 Ca 0.09 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.27 1jkt n HIS 137 Cb 0.58 -0.52 0.00 0.00 -0.12 0.00 0.00 29.99 29.93 1jkt n HIS 137 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 1jkt n PHE 138 N -3.93 0.00 1.08 1.57 3.72 -1.26 -0.04 117.46 118.60 1jkt n PHE 138 Ca -0.25 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.26 1jkt n PHE 138 Cb 0.59 0.00 0.14 0.00 -0.94 0.00 0.00 39.48 39.27 1jkt n PHE 138 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1jkt n ASP 139 N 0.93 1.30 -4.50 4.37 -0.08 -1.26 -4.92 116.55 112.38 1jkt n ASP 139 Ca 0.00 -1.04 -0.38 0.00 -1.51 0.00 0.00 54.79 51.86 1jkt n ASP 139 Cb 0.00 0.42 -0.16 0.00 2.34 0.00 0.00 41.12 43.73 1jkt n ASP 139 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1jkt n LEU 140 N -0.70 0.11 -3.87 -2.67 4.77 -1.26 -4.85 117.00 108.53 1jkt n LEU 140 Ca 0.09 0.06 -0.11 0.00 -0.03 0.00 0.00 56.01 56.01 1jkt n LEU 140 Cb 0.39 -0.89 -0.11 0.00 -2.33 0.00 0.00 43.42 40.48 1jkt n LEU 140 CO 0.31 -0.84 -0.21 -1.59 -1.33 0.00 0.00 177.39 173.73 1jkt s LYS 141 N 8.72 0.34 0.14 3.23 -2.85 -1.26 -4.68 119.74 123.38 1jkt s LYS 141 Ca 1.34 -0.20 -0.16 0.00 -1.00 0.00 0.00 55.97 55.95 1jkt s LYS 141 Cb -1.18 0.14 0.08 0.00 -2.06 0.00 0.00 37.83 34.82 1jkt s LYS 141 CO 0.49 -0.07 1.10 -2.30 0.10 0.00 0.00 175.35 174.67 1jkt n PRO 142 N 2.06 -0.23 0.20 1.78 -0.02 -1.26 0.86 135.00 138.39 1jkt n PRO 142 Ca -0.19 1.08 0.14 0.00 -2.02 0.00 0.00 63.50 62.51 1jkt n PRO 142 Cb 0.57 -1.60 0.50 0.00 -0.02 0.00 0.00 33.50 32.95 1jkt n PRO 142 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1jkt h GLU 143 N 0.00 0.00 0.07 -0.52 3.07 -1.97 0.68 114.58 115.91 1jkt h GLU 143 Ca 0.19 0.00 -0.36 0.00 -0.50 0.00 0.00 59.36 58.69 1jkt h GLU 143 Cb 0.37 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.24 1jkt h GLU 143 CO -0.69 0.00 -2.07 0.09 -1.40 0.00 0.00 179.01 174.94 1jkt n ASN 144 N -2.98 1.68 -4.62 1.42 5.03 0.25 -4.84 115.26 111.20 1jkt n ASN 144 Ca 0.04 0.16 -0.52 0.00 0.87 0.00 0.00 54.58 55.13 1jkt n ASN 144 Cb 0.79 -0.47 -0.06 0.00 -1.02 0.00 0.00 39.78 39.02 1jkt n ASN 144 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 1jkt n ILE 145 N -3.29 0.08 -3.82 2.41 5.41 0.23 -4.59 119.36 115.78 1jkt n ILE 145 Ca -0.32 -0.01 -0.12 0.00 1.00 0.00 0.00 62.75 63.29 1jkt n ILE 145 Cb 1.05 -0.99 -0.12 0.00 -0.71 0.00 0.00 39.64 38.87 1jkt n ILE 145 CO 0.00 0.00 0.00 -0.04 0.00 0.00 0.00 176.55 176.51 1jkt s MET 146 N 1.22 0.27 0.42 0.38 -1.94 -1.22 -3.15 119.30 115.27 1jkt s MET 146 Ca 0.87 0.15 -0.08 0.00 -1.71 0.00 0.00 55.69 54.92 1jkt s MET 146 Cb -0.94 0.12 -0.05 0.00 2.01 0.00 0.00 34.83 35.97 1jkt s MET 146 CO 0.50 -0.04 0.75 -0.51 -0.01 0.00 0.00 175.02 175.70 1jkt s LEU 147 N -0.15 3.79 0.00 -0.03 1.02 -1.24 0.25 118.68 122.32 1jkt s LEU 147 Ca -0.02 1.01 0.27 0.00 0.02 0.00 0.00 54.13 55.41 1jkt s LEU 147 Cb -0.02 -3.91 0.87 0.00 0.02 0.00 0.00 46.19 43.15 1jkt s LEU 147 CO 0.01 -0.44 1.64 -0.11 0.02 0.00 0.00 176.35 177.47 1jkt n LEU 148 N -1.59 1.14 -3.35 1.79 0.00 -0.35 0.88 117.00 115.52 1jkt n LEU 148 Ca 0.01 -0.32 0.02 0.00 0.00 0.00 0.00 56.01 55.72 1jkt n LEU 148 Cb 0.54 -0.09 -0.04 0.00 0.00 0.00 0.00 43.42 43.83 1jkt n LEU 148 CO 0.50 0.20 0.69 -0.62 0.00 0.00 0.00 177.39 178.16 1jkt s ASP 149 N -2.35 -0.45 0.00 1.96 -1.08 -1.26 -4.69 116.67 108.80 1jkt s ASP 149 Ca 0.29 0.62 0.25 0.00 -0.52 0.00 0.00 52.55 53.19 1jkt s ASP 149 Cb 0.20 1.50 1.52 0.00 -1.46 0.00 0.00 42.92 44.68 1jkt s ASP 149 CO 0.46 -0.09 1.89 0.54 0.52 0.00 0.00 175.17 178.50 1jkt n ARG 150 N 4.83 0.84 -0.10 4.34 1.74 -1.26 -3.82 116.66 123.23 1jkt n ARG 150 Ca -0.09 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.86 1jkt n ARG 150 Cb 0.53 -1.48 -0.09 0.00 -1.02 0.00 0.00 32.46 30.41 1jkt n ARG 150 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1jkt n ASN 151 N -0.98 2.39 -4.09 0.55 3.02 -1.26 -5.00 115.26 109.89 1jkt n ASN 151 Ca 0.19 -0.10 -0.43 0.00 -0.03 0.00 0.00 54.58 54.22 1jkt n ASN 151 Cb 0.09 -0.22 -0.02 0.00 -0.61 0.00 0.00 39.78 39.02 1jkt n ASN 151 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1jkt n VAL 152 N -3.03 1.32 -0.25 2.41 0.31 -1.25 -4.80 118.33 113.03 1jkt n VAL 152 Ca -0.34 -0.47 0.11 0.00 -0.01 0.00 0.00 64.34 63.63 1jkt n VAL 152 Cb 0.88 0.00 0.38 0.00 -0.91 0.00 0.00 33.84 34.19 1jkt n VAL 152 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1jkt h PRO 153 N 0.66 0.67 -3.96 5.55 0.13 -1.94 -3.35 132.00 129.75 1jkt h PRO 153 Ca -0.30 -0.04 -0.47 0.00 -0.87 0.00 0.00 66.00 64.32 1jkt h PRO 153 Cb 1.35 -0.15 -0.37 0.00 0.13 0.00 0.00 31.00 31.96 1jkt h PRO 153 CO 0.49 0.44 -0.78 -1.59 -0.23 0.00 0.00 178.00 176.33 1jkt s LYS 154 N -5.67 1.03 0.42 0.86 -2.85 -1.26 -5.14 119.74 107.14 1jkt s LYS 154 Ca -0.10 -0.07 -0.22 0.00 -1.00 0.00 0.00 55.97 54.59 1jkt s LYS 154 Cb 0.21 -1.23 -0.11 0.00 -2.06 0.00 0.00 37.83 34.65 1jkt s LYS 154 CO 0.79 -0.27 0.95 -2.14 0.10 0.00 0.00 175.35 174.78 1jkt s PRO 155 N 1.76 4.25 -0.32 1.78 0.02 -1.26 -5.07 135.00 136.16 1jkt s PRO 155 Ca 0.03 1.16 -0.01 0.00 0.02 0.00 0.00 61.00 62.20 1jkt s PRO 155 Cb -0.13 -2.26 0.06 0.00 0.02 0.00 0.00 34.50 32.20 1jkt s PRO 155 CO -0.06 -0.01 0.03 1.03 -0.33 0.00 0.00 177.00 177.66 1jkt s ARG 156 N -3.04 2.28 1.21 5.54 3.00 -1.26 -4.98 118.95 121.71 1jkt s ARG 156 Ca 0.61 -1.41 -0.20 0.00 0.00 0.00 0.00 55.73 54.73 1jkt s ARG 156 Cb -0.11 -3.24 0.29 0.00 0.00 0.00 0.00 34.95 31.90 1jkt s ARG 156 CO 0.15 -0.72 1.14 0.96 0.00 0.00 0.00 175.30 176.83 1jkt s ILE 157 N 1.20 1.58 0.09 1.52 -4.36 -1.26 -1.21 121.20 118.76 1jkt s ILE 157 Ca -0.02 0.00 0.02 0.00 -0.26 0.00 0.00 60.65 60.39 1jkt s ILE 157 Cb -0.20 -2.54 -0.01 0.00 1.25 0.00 0.00 42.46 40.96 1jkt s ILE 157 CO -0.02 0.00 0.06 0.29 0.24 0.00 0.00 174.94 175.51 1jkt n LYS 158 N -4.75 0.33 -3.82 0.37 4.76 0.71 -4.25 118.16 111.51 1jkt n LYS 158 Ca 0.15 -0.89 -0.13 0.00 -2.87 0.00 0.00 58.31 54.57 1jkt n LYS 158 Cb 0.60 0.66 -0.14 0.00 -1.84 0.00 0.00 35.03 34.30 1jkt n LYS 158 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1jkt s ILE 159 N -2.23 -0.02 0.00 -0.18 1.01 0.90 -3.98 121.20 116.70 1jkt s ILE 159 Ca 0.09 0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.80 1jkt s ILE 159 Cb 0.00 -0.13 0.00 0.00 0.01 0.00 0.00 42.46 42.35 1jkt s ILE 159 CO 0.06 0.02 0.00 2.30 0.00 0.00 0.00 174.94 177.33 1jkt n ILE 160 N 3.37 0.00 -3.17 2.92 -6.64 -1.26 -2.61 119.36 111.98 1jkt n ILE 160 Ca -0.17 0.00 -0.15 0.00 -1.77 0.00 0.00 62.75 60.67 1jkt n ILE 160 Cb 0.57 0.00 0.05 0.00 -1.44 0.00 0.00 39.64 38.83 1jkt n ILE 160 CO 0.00 0.00 0.00 -0.67 -1.77 0.00 0.00 176.55 174.11 1jkt n ASP 161 N -1.11 -4.26 -3.28 7.28 -0.08 -1.26 -4.87 116.55 108.97 1jkt n ASP 161 Ca 0.00 -0.37 -0.28 0.00 -1.51 0.00 0.00 54.79 52.63 1jkt n ASP 161 Cb 0.00 -3.54 -0.02 0.00 2.34 0.00 0.00 41.12 39.90 1jkt n ASP 161 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1jkt n PHE 162 N -3.93 1.58 -0.05 -0.67 3.01 -1.26 -4.36 117.46 111.79 1jkt n PHE 162 Ca -0.04 -2.03 -0.03 0.00 1.01 0.00 0.00 57.45 56.36 1jkt n PHE 162 Cb 0.56 -1.75 -0.01 0.00 -0.01 0.00 0.00 39.48 38.27 1jkt n PHE 162 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1jkt h GLY 163 N 9.30 0.00 1.74 1.37 0.00 -1.89 -3.39 103.07 110.20 1jkt h GLY 163 Ca 0.51 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.74 1jkt h GLY 163 CO 1.57 0.00 -0.33 1.41 0.00 0.00 0.00 176.54 179.19 1jkt h LEU 164 N -0.74 0.31 -7.15 3.11 3.38 -1.76 -3.45 115.31 109.01 1jkt h LEU 164 Ca 0.00 -0.11 -0.54 0.00 0.09 0.00 0.00 57.88 57.32 1jkt h LEU 164 Cb 0.29 -0.08 0.09 0.00 0.09 0.00 0.00 40.66 41.04 1jkt h LEU 164 CO 0.00 0.63 -0.40 0.00 0.09 0.00 0.00 178.44 178.76 1jkt n ALA 165 N -2.48 -2.52 -3.44 1.53 0.00 0.94 -4.86 120.51 109.68 1jkt n ALA 165 Ca -0.01 0.36 -0.16 0.00 0.00 0.00 0.00 53.44 53.62 1jkt n ALA 165 Cb 0.43 -1.28 -0.07 0.00 0.00 0.00 0.00 19.45 18.53 1jkt n ALA 165 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1jkt s HIS 166 N -0.76 -0.52 0.10 0.00 5.04 -1.22 -4.96 115.29 112.97 1jkt s HIS 166 Ca 0.52 0.91 -0.31 0.00 -1.54 0.00 0.00 55.06 54.64 1jkt s HIS 166 Cb -0.75 0.31 -0.09 0.00 0.04 0.00 0.00 32.58 32.09 1jkt s HIS 166 CO 0.45 -0.53 1.61 0.15 -2.34 0.00 0.00 174.74 174.07 1jkt s LYS 167 N -1.14 4.21 -0.01 2.88 -0.14 -1.26 -3.39 119.74 120.90 1jkt s LYS 167 Ca -0.11 2.32 0.19 0.00 -1.36 0.00 0.00 55.97 57.01 1jkt s LYS 167 Cb -0.02 -3.44 0.55 0.00 -1.68 0.00 0.00 37.83 33.24 1jkt s LYS 167 CO 0.08 -0.68 1.46 -0.89 -0.76 0.00 0.00 175.35 174.56 1jkt n ILE 168 N 4.45 1.06 -0.17 2.17 2.08 -0.75 -4.33 119.36 123.87 1jkt n ILE 168 Ca 0.15 -1.02 -0.06 0.00 0.56 0.00 0.00 62.75 62.37 1jkt n ILE 168 Cb 0.40 0.47 -0.05 0.00 -0.75 0.00 0.00 39.64 39.71 1jkt n ILE 168 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 1jkt h ASP 169 N 3.56 -1.10 0.00 4.38 3.45 -1.87 -3.42 116.42 121.42 1jkt h ASP 169 Ca 0.00 0.16 0.00 0.00 0.43 0.00 0.00 57.03 57.62 1jkt h ASP 169 Cb 0.94 0.48 0.00 0.00 -0.56 0.00 0.00 39.33 40.19 1jkt h ASP 169 CO 0.01 -0.16 0.00 0.49 -1.57 0.00 0.00 179.24 178.02 1jkt n PHE 170 N -4.18 -0.95 -1.46 4.55 3.01 -1.26 -5.11 117.46 112.07 1jkt n PHE 170 Ca 0.00 0.17 0.00 0.00 1.01 0.00 0.00 57.45 58.63 1jkt n PHE 170 Cb 0.15 0.50 0.00 0.00 -0.01 0.00 0.00 39.48 40.13 1jkt n PHE 170 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1jkt n GLY 171 N 1.63 -2.92 2.72 1.37 0.00 -1.26 -4.47 105.19 102.26 1jkt n GLY 171 Ca 0.00 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 1jkt n GLY 171 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1jkt n ASN 172 N -0.98 6.12 -4.52 1.61 0.23 -1.26 -4.83 115.26 111.64 1jkt n ASN 172 Ca 0.00 -3.10 -0.34 0.00 -0.53 0.00 0.00 54.58 50.61 1jkt n ASN 172 Cb 0.01 -1.44 -0.12 0.00 -2.08 0.00 0.00 39.78 36.15 1jkt n ASN 172 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1jkt n GLU 173 N 3.18 0.37 0.00 -3.83 -0.58 -1.26 -4.64 120.64 113.88 1jkt n GLU 173 Ca 0.48 -0.09 0.00 0.00 -0.42 0.00 0.00 57.16 57.13 1jkt n GLU 173 Cb 0.32 -2.24 0.00 0.00 -0.57 0.00 0.00 31.44 28.95 1jkt n GLU 173 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1jkt n PHE 174 N 12.24 0.00 0.00 -0.32 -0.00 -1.26 -4.89 117.46 123.24 1jkt n PHE 174 Ca 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 58.01 1jkt n PHE 174 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.72 1jkt n PHE 174 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.76 177.12 1jkt n LYS 175 N 0.00 0.00 0.00 -4.13 0.00 -1.26 -4.80 118.16 107.97 1jkt n LYS 175 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1jkt n LYS 175 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 1jkt n LYS 175 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1jkt n ASN 176 N 0.00 0.00 -0.20 -5.58 5.15 -1.26 -4.85 115.26 108.52 1jkt n ASN 176 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1jkt n ASN 176 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1jkt n ASN 176 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1jkt n ILE 177 N 0.00 0.00 -3.20 -1.44 5.41 -1.26 -4.99 119.36 113.88 1jkt n ILE 177 Ca 0.00 0.00 -0.20 0.00 1.00 0.00 0.00 62.75 63.55 1jkt n ILE 177 Cb 0.00 0.00 0.05 0.00 -0.71 0.00 0.00 39.64 38.98 1jkt n ILE 177 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 1jkt n PHE 178 N -0.40 -1.97 -3.47 1.39 3.72 -1.26 -5.15 117.46 110.32 1jkt n PHE 178 Ca 0.00 -2.14 -0.12 0.00 -0.05 0.00 0.00 57.45 55.15 1jkt n PHE 178 Cb 0.00 -0.53 -0.02 0.00 -0.94 0.00 0.00 39.48 37.99 1jkt n PHE 178 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1jkt s GLY 179 N -4.53 -0.55 -0.27 1.37 0.00 -1.26 -4.92 107.32 97.15 1jkt s GLY 179 Ca 0.55 0.39 -0.22 0.00 0.00 0.00 0.00 44.72 45.44 1jkt s GLY 179 CO 0.35 0.10 0.69 -1.59 0.00 0.00 0.00 173.10 172.66 1jkt s THR 180 N -3.77 4.91 0.00 0.90 2.01 -1.26 -4.93 115.64 113.51 1jkt s THR 180 Ca 0.02 1.15 0.00 0.00 0.31 0.00 0.00 61.69 63.17 1jkt s THR 180 Cb -0.01 -4.02 0.00 0.00 0.01 0.00 0.00 72.50 68.48 1jkt s THR 180 CO -0.12 -0.08 0.22 -2.65 -0.69 0.00 0.00 174.62 171.30 1jkt n PRO 181 N 5.90 0.00 -0.00 4.92 -0.02 -1.26 -0.92 135.00 143.62 1jkt n PRO 181 Ca 0.01 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.51 1jkt n PRO 181 Cb 0.48 -1.27 -0.02 0.00 -0.02 0.00 0.00 33.50 32.68 1jkt n PRO 181 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1jkt n GLU 182 N -0.57 0.69 0.00 -0.52 2.13 -1.26 -4.15 120.64 116.96 1jkt n GLU 182 Ca 0.00 -0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.80 1jkt n GLU 182 Cb 0.22 -1.02 0.00 0.00 0.27 0.00 0.00 31.44 30.90 1jkt n GLU 182 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1jkt n PHE 183 N -1.54 0.00 -1.80 4.31 3.01 -0.10 -4.81 117.46 116.53 1jkt n PHE 183 Ca -0.00 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.06 1jkt n PHE 183 Cb 0.07 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.57 1jkt n PHE 183 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 1jkt s VAL 184 N -0.93 2.09 0.48 -4.37 -7.23 -1.17 -4.45 120.40 104.82 1jkt s VAL 184 Ca 0.00 0.07 -0.21 0.00 -1.81 0.00 0.00 61.98 60.03 1jkt s VAL 184 Cb 0.00 -3.04 -0.08 0.00 0.56 0.00 0.00 36.38 33.82 1jkt s VAL 184 CO 0.00 0.01 1.09 0.00 -0.31 0.00 0.00 175.10 175.89 1jkt s ALA 185 N -1.25 2.89 0.04 1.32 0.00 -1.26 -4.79 121.76 118.71 1jkt s ALA 185 Ca 0.65 0.76 -0.07 0.00 0.00 0.00 0.00 51.96 53.30 1jkt s ALA 185 Cb -0.42 -3.32 -0.02 0.00 0.00 0.00 0.00 23.12 19.37 1jkt s ALA 185 CO 0.52 -0.49 0.73 -2.30 0.00 0.00 0.00 175.76 174.22 1jkt n PRO 186 N -0.77 -0.11 -0.18 0.00 -0.02 -1.26 0.12 135.00 132.78 1jkt n PRO 186 Ca 0.09 0.72 0.03 0.00 -2.02 0.00 0.00 63.50 62.32 1jkt n PRO 186 Cb 0.50 -1.07 0.08 0.00 -0.02 0.00 0.00 33.50 33.00 1jkt n PRO 186 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1jkt n GLU 187 N -3.47 -0.05 0.01 -0.52 0.00 -1.26 0.29 120.64 115.64 1jkt n GLU 187 Ca 0.00 0.79 -0.11 0.00 0.00 0.00 0.00 57.16 57.84 1jkt n GLU 187 Cb 0.06 -1.19 -0.06 0.00 0.00 0.00 0.00 31.44 30.26 1jkt n GLU 187 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 1jkt h ILE 188 N 0.00 1.05 -0.49 3.84 5.03 0.55 -2.25 117.51 125.23 1jkt h ILE 188 Ca 0.25 -0.13 0.13 0.00 -0.12 0.00 0.00 64.86 64.99 1jkt h ILE 188 Cb 0.39 1.01 -0.02 0.00 -3.03 0.00 0.00 36.82 35.17 1jkt h ILE 188 CO -0.52 0.04 0.35 0.58 -0.68 0.00 0.00 178.15 177.93 1jkt h VAL 189 N 0.06 0.78 -3.56 1.67 2.07 0.43 -3.32 116.25 114.39 1jkt h VAL 189 Ca 0.03 -0.02 -0.68 0.00 0.82 0.00 0.00 66.70 66.85 1jkt h VAL 189 Cb 0.03 0.72 -0.37 0.00 -1.52 0.00 0.00 31.29 30.15 1jkt h VAL 189 CO -0.01 0.01 -0.60 0.20 0.02 0.00 0.00 177.57 177.19 1jkt s ASN 190 N -6.29 4.96 -0.61 0.57 0.02 -0.33 -4.92 114.94 108.34 1jkt s ASN 190 Ca -0.05 -2.28 -0.00 0.00 -1.02 0.00 0.00 52.86 49.51 1jkt s ASN 190 Cb 0.19 -1.73 0.00 0.00 0.02 0.00 0.00 41.25 39.73 1jkt s ASN 190 CO 0.73 -0.43 0.44 0.00 0.02 0.00 0.00 177.10 177.86 1jkt n TYR 191 N 4.18 -1.47 -3.37 2.20 0.18 -1.25 -4.27 117.16 113.35 1jkt n TYR 191 Ca 0.02 0.60 -0.01 0.00 1.88 0.00 0.00 57.90 60.39 1jkt n TYR 191 Cb 0.40 -2.00 0.00 0.00 -0.38 0.00 0.00 39.34 37.37 1jkt n TYR 191 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 1jkt n GLU 192 N -2.08 -0.74 0.00 -3.48 4.71 -1.19 -4.96 120.64 112.89 1jkt n GLU 192 Ca -0.24 -0.36 0.00 0.00 -0.01 0.00 0.00 57.16 56.55 1jkt n GLU 192 Cb 0.51 0.61 0.00 0.00 -1.01 0.00 0.00 31.44 31.55 1jkt n GLU 192 CO 0.00 0.00 0.00 -2.30 0.09 0.00 0.00 177.13 174.92 1jkt n PRO 193 N -0.87 0.00 0.00 3.49 -0.02 -1.19 -4.95 135.00 131.46 1jkt n PRO 193 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1jkt n PRO 193 Cb 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.49 1jkt n PRO 193 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1jkt n LEU 194 N 0.00 0.00 0.00 2.45 4.77 -1.26 -4.96 117.00 118.00 1jkt n LEU 194 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1jkt n LEU 194 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1jkt n LEU 194 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 1jkt n GLY 195 N 0.00 -0.64 0.04 -0.72 0.00 -1.26 -4.24 105.19 98.37 1jkt n GLY 195 Ca 0.00 -1.42 0.14 0.00 0.00 0.00 0.00 46.02 44.74 1jkt n GLY 195 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1jkt n LEU 196 N -0.68 0.30 0.07 0.99 -0.00 -1.26 -0.68 117.00 115.74 1jkt n LEU 196 Ca 0.00 0.52 0.12 0.00 -0.00 0.00 0.00 56.01 56.65 1jkt n LEU 196 Cb 0.00 -0.43 0.46 0.00 -0.00 0.00 0.00 43.42 43.45 1jkt n LEU 196 CO 0.00 -0.07 0.87 -0.62 -0.00 0.00 0.00 177.39 177.57 1jkt n GLU 197 N -1.78 0.14 0.09 1.47 4.71 -1.26 -2.41 120.64 121.61 1jkt n GLU 197 Ca 0.06 0.23 -0.23 0.00 -0.01 0.00 0.00 57.16 57.22 1jkt n GLU 197 Cb 0.37 -1.71 -0.15 0.00 -1.01 0.00 0.00 31.44 28.94 1jkt n GLU 197 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1jkt h ALA 198 N 2.55 -0.08 -0.54 0.62 0.00 -1.08 -3.26 119.26 117.46 1jkt h ALA 198 Ca 0.00 -0.84 0.11 0.00 0.00 0.00 0.00 54.91 54.18 1jkt h ALA 198 Cb 0.50 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1jkt h ALA 198 CO 0.00 0.62 0.37 -0.44 0.00 0.00 0.00 179.25 179.80 1jkt h ASP 199 N -0.09 0.23 -0.00 0.00 5.19 -1.49 0.42 116.42 120.68 1jkt h ASP 199 Ca -0.23 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.19 1jkt h ASP 199 Cb 1.94 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 41.41 1jkt h ASP 199 CO 0.20 0.14 0.00 0.23 -3.12 0.00 0.00 179.24 176.69 1jkt n MET 200 N -4.45 1.01 -0.11 3.56 2.81 -1.19 -1.31 117.12 117.44 1jkt n MET 200 Ca 0.09 -0.02 -0.24 0.00 -1.81 0.00 0.00 57.70 55.72 1jkt n MET 200 Cb 0.43 -1.25 -0.11 0.00 -0.71 0.00 0.00 33.22 31.58 1jkt n MET 200 CO 0.00 0.00 0.00 1.87 1.51 0.00 0.00 175.97 179.35 1jkt n TRP 201 N -0.73 0.32 0.36 2.03 -0.00 0.14 -2.47 117.44 117.09 1jkt n TRP 201 Ca 0.12 0.11 -0.19 0.00 -0.00 0.00 0.00 57.50 57.54 1jkt n TRP 201 Cb 0.06 -1.04 -0.10 0.00 -0.00 0.00 0.00 31.31 30.23 1jkt n TRP 201 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 177.69 178.35 1jkt h SER 202 N -0.60 -1.32 -1.05 5.87 4.64 -1.29 -1.82 113.55 117.98 1jkt h SER 202 Ca -0.58 0.09 0.29 0.00 -0.47 0.00 0.00 61.79 61.12 1jkt h SER 202 Cb 1.69 0.41 -0.06 0.00 -0.31 0.00 0.00 62.40 64.13 1jkt h SER 202 CO -0.24 -0.71 0.72 0.40 -0.87 0.00 0.00 176.83 176.13 1jkt h ILE 203 N -1.10 0.50 0.00 0.95 2.04 -1.37 1.78 117.51 120.31 1jkt h ILE 203 Ca -0.08 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1jkt h ILE 203 Cb 0.92 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 1jkt h ILE 203 CO 0.02 0.03 0.00 1.23 0.00 0.00 0.00 178.15 179.43 1jkt h GLY 204 N 0.19 0.00 0.00 5.37 0.00 -1.07 -2.68 103.07 104.88 1jkt h GLY 204 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.87 1jkt h GLY 204 CO -0.13 0.00 -0.01 -2.08 0.00 0.00 0.00 176.54 174.31 1jkt h VAL 205 N 0.00 0.00 -0.98 4.60 2.07 0.35 -3.32 116.25 118.97 1jkt h VAL 205 Ca 0.00 -0.53 0.17 0.00 0.82 0.00 0.00 66.70 67.16 1jkt h VAL 205 Cb 0.64 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.24 1jkt h VAL 205 CO 0.00 0.00 -0.32 -0.38 0.02 0.00 0.00 177.57 176.89 1jkt n ILE 206 N -3.47 -0.47 0.11 4.57 5.41 -0.52 0.16 119.36 125.15 1jkt n ILE 206 Ca -0.00 2.28 0.07 0.00 1.00 0.00 0.00 62.75 66.09 1jkt n ILE 206 Cb 0.01 -3.08 0.36 0.00 -0.71 0.00 0.00 39.64 36.22 1jkt n ILE 206 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1jkt n THR 207 N -5.52 1.20 -0.09 1.39 -1.04 -1.01 0.51 114.28 109.71 1jkt n THR 207 Ca 0.13 0.66 -0.10 0.00 -2.04 0.00 0.00 64.05 62.70 1jkt n THR 207 Cb 0.44 -1.66 -0.16 0.00 -1.82 0.00 0.00 70.33 67.13 1jkt n THR 207 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jkt n TYR 208 N -1.96 0.14 -0.07 -1.42 4.19 0.43 -4.30 117.16 114.18 1jkt n TYR 208 Ca -0.01 0.05 -0.11 0.00 3.31 0.00 0.00 57.90 61.14 1jkt n TYR 208 Cb 0.09 -1.03 -0.11 0.00 0.49 0.00 0.00 39.34 38.79 1jkt n TYR 208 CO 0.00 0.00 0.00 0.82 0.91 0.00 0.00 176.86 178.59 1jkt h ILE 209 N 0.00 1.45 0.00 2.97 2.04 -0.21 -3.10 117.51 120.67 1jkt h ILE 209 Ca -0.51 -2.09 0.00 0.00 1.00 0.00 0.00 64.86 63.25 1jkt h ILE 209 Cb 2.20 2.75 0.00 0.00 -0.74 0.00 0.00 36.82 41.04 1jkt h ILE 209 CO 0.03 0.49 0.94 0.25 0.00 0.00 0.00 178.15 179.87 1jkt h LEU 210 N -1.00 0.00 -2.70 1.44 6.46 -0.16 0.62 115.31 119.98 1jkt h LEU 210 Ca -0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1jkt h LEU 210 Cb 0.81 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.74 1jkt h LEU 210 CO -0.00 0.00 -0.15 0.00 -0.62 0.00 0.00 178.44 177.67 1jkt n LEU 211 N -2.42 1.65 0.00 2.25 -0.00 -1.23 -4.20 117.00 113.06 1jkt n LEU 211 Ca -0.00 -2.46 0.00 0.00 -0.00 0.00 0.00 56.01 53.55 1jkt n LEU 211 Cb 0.95 -0.30 0.00 0.00 -0.00 0.00 0.00 43.42 44.07 1jkt n LEU 211 CO 0.00 0.57 0.00 -1.54 -0.00 0.00 0.00 177.39 176.43 1jkt n SER 212 N -1.01 0.00 -3.60 1.45 3.41 0.21 -4.86 113.62 109.23 1jkt n SER 212 Ca 0.11 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.47 1jkt n SER 212 Cb 0.65 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.65 1jkt n SER 212 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jkt n GLY 213 N 0.00 -0.82 3.15 5.00 0.00 -1.05 -4.95 105.19 106.52 1jkt n GLY 213 Ca 0.00 0.39 0.05 0.00 0.00 0.00 0.00 46.02 46.46 1jkt n GLY 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jkt s ALA 214 N -3.52 -3.73 0.36 4.61 0.00 -1.26 -5.08 121.76 113.13 1jkt s ALA 214 Ca 0.33 1.33 -0.28 0.00 0.00 0.00 0.00 51.96 53.34 1jkt s ALA 214 Cb -0.09 -2.75 -0.11 0.00 0.00 0.00 0.00 23.12 20.16 1jkt s ALA 214 CO 0.82 -1.98 1.46 0.43 0.00 0.00 0.00 175.76 176.49 1jkt n SER 215 N 5.20 3.62 0.08 0.00 7.64 -1.26 -4.82 113.62 124.06 1jkt n SER 215 Ca 0.07 1.22 -0.10 0.00 1.01 0.00 0.00 58.87 61.07 1jkt n SER 215 Cb 0.57 -1.59 -0.13 0.00 -1.01 0.00 0.00 64.21 62.05 1jkt n SER 215 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1jkt h PRO 216 N 3.03 0.10 0.00 1.43 0.13 -1.96 -3.41 132.00 131.33 1jkt h PRO 216 Ca -0.50 -0.17 -0.08 0.00 -0.87 0.00 0.00 66.00 64.39 1jkt h PRO 216 Cb 1.25 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 1jkt h PRO 216 CO 0.65 1.08 -1.29 1.19 -0.23 0.00 0.00 178.00 179.39 1jkt n PHE 217 N -3.41 0.00 -0.87 1.56 3.72 -1.26 -4.69 117.46 112.51 1jkt n PHE 217 Ca -0.03 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.07 1jkt n PHE 217 Cb 0.97 -0.21 -0.02 0.00 -0.94 0.00 0.00 39.48 39.29 1jkt n PHE 217 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 1jkt n LEU 218 N -2.27 -0.86 -4.45 4.37 7.94 -1.26 -4.73 117.00 115.74 1jkt n LEU 218 Ca -0.07 0.69 -0.23 0.00 -1.11 0.00 0.00 56.01 55.28 1jkt n LEU 218 Cb 0.63 -0.59 -0.09 0.00 0.53 0.00 0.00 43.42 43.90 1jkt n LEU 218 CO 0.08 -1.92 -0.21 -0.83 -1.11 0.00 0.00 177.39 173.40 1jkt s GLY 219 N -0.62 2.36 0.29 -3.96 0.00 -1.26 -4.94 107.32 99.19 1jkt s GLY 219 Ca 0.40 -1.54 -0.02 0.00 0.00 0.00 0.00 44.72 43.56 1jkt s GLY 219 CO 0.35 -1.76 1.96 -0.55 0.00 0.00 0.00 173.10 173.10 1jkt h ASP 220 N 1.96 0.97 -1.87 1.64 5.19 -1.95 -3.45 116.42 118.92 1jkt h ASP 220 Ca -0.36 -0.02 -0.61 0.00 -0.62 0.00 0.00 57.03 55.42 1jkt h ASP 220 Cb 1.26 -0.24 -0.12 0.00 0.18 0.00 0.00 39.33 40.41 1jkt h ASP 220 CO 0.58 0.69 -0.64 -0.89 -3.12 0.00 0.00 179.24 175.86 1jkt s THR 221 N -5.95 2.33 0.00 0.35 2.01 -1.26 -5.06 115.64 108.06 1jkt s THR 221 Ca -0.12 -2.07 0.00 0.00 0.31 0.00 0.00 61.69 59.81 1jkt s THR 221 Cb 0.18 -2.77 0.00 0.00 0.01 0.00 0.00 72.50 69.92 1jkt s THR 221 CO 0.80 -0.16 0.34 1.17 -0.69 0.00 0.00 174.62 176.08 1jkt n LYS 222 N -0.90 0.00 -0.32 4.92 4.81 -1.26 -2.28 118.16 123.13 1jkt n LYS 222 Ca -0.04 0.04 -0.03 0.00 -0.87 0.00 0.00 58.31 57.40 1jkt n LYS 222 Cb 0.64 -0.84 -0.00 0.00 0.02 0.00 0.00 35.03 34.85 1jkt n LYS 222 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1jkt n GLN 223 N -0.38 -0.24 -0.30 1.64 0.00 -1.26 0.33 117.38 117.16 1jkt n GLN 223 Ca 0.00 1.25 0.15 0.00 0.00 0.00 0.00 57.00 58.40 1jkt n GLN 223 Cb 0.00 -1.85 0.32 0.00 0.00 0.00 0.00 30.24 28.70 1jkt n GLN 223 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 1jkt h GLU 224 N 0.00 0.21 0.00 2.61 4.81 -1.98 -1.87 114.58 118.37 1jkt h GLU 224 Ca 0.24 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 1jkt h GLU 224 Cb 0.44 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.78 1jkt h GLU 224 CO -0.80 0.14 0.00 2.41 -0.73 0.00 0.00 179.01 180.03 1jkt n THR 225 N -5.21 0.00 -0.02 0.32 -1.04 0.15 -2.30 114.28 106.18 1jkt n THR 225 Ca 0.23 1.10 0.00 0.00 -2.04 0.00 0.00 64.05 63.35 1jkt n THR 225 Cb 0.73 -2.03 0.01 0.00 -1.82 0.00 0.00 70.33 67.22 1jkt n THR 225 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1jkt n LEU 226 N -0.90 -0.02 0.29 -4.42 4.77 -0.77 0.82 117.00 116.76 1jkt n LEU 226 Ca 0.00 0.09 0.08 0.00 -0.03 0.00 0.00 56.01 56.15 1jkt n LEU 226 Cb 0.00 -0.03 0.42 0.00 -2.33 0.00 0.00 43.42 41.48 1jkt n LEU 226 CO 0.00 -0.09 0.99 0.00 -1.33 0.00 0.00 177.39 176.96 1jkt h ALA 227 N 0.11 1.52 0.11 -1.18 0.00 -0.95 0.47 119.26 119.34 1jkt h ALA 227 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.59 1jkt h ALA 227 Cb 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1jkt h ALA 227 CO -0.06 -0.52 -1.93 0.09 0.00 0.00 0.00 179.25 176.83 1jkt n ASN 228 N -2.51 2.09 0.29 0.00 3.02 4.52 -4.01 115.26 118.67 1jkt n ASN 228 Ca -0.01 0.23 -0.12 0.00 -0.03 0.00 0.00 54.58 54.65 1jkt n ASN 228 Cb 0.59 -0.87 -0.06 0.00 -0.61 0.00 0.00 39.78 38.83 1jkt n ASN 228 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1jkt h VAL 229 N -0.06 0.00 -0.75 2.41 2.07 -0.13 0.12 116.25 119.91 1jkt h VAL 229 Ca -0.42 -0.25 0.21 0.00 0.82 0.00 0.00 66.70 67.05 1jkt h VAL 229 Cb 1.95 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 31.58 1jkt h VAL 229 CO 0.05 0.00 0.02 -1.54 0.02 0.00 0.00 177.57 176.11 1jkt n SER 230 N -4.79 -0.09 0.06 0.57 3.41 -0.71 0.20 113.62 112.27 1jkt n SER 230 Ca -0.10 1.27 -0.02 0.00 -0.26 0.00 0.00 58.87 59.77 1jkt n SER 230 Cb 0.31 -0.46 -0.07 0.00 -0.26 0.00 0.00 64.21 63.73 1jkt n SER 230 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jkt h ALA 231 N 1.50 0.63 -4.99 7.33 0.00 -1.69 -3.49 119.26 118.56 1jkt h ALA 231 Ca 0.45 -0.85 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1jkt h ALA 231 Cb 0.94 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1jkt h ALA 231 CO -0.70 0.99 -0.68 0.28 0.00 0.00 0.00 179.25 179.14 1jkt n VAL 232 N -3.06-10.68 -2.90 0.00 0.31 0.53 -4.93 118.33 97.59 1jkt n VAL 232 Ca -0.06 1.25 -0.21 0.00 -0.01 0.00 0.00 64.34 65.31 1jkt n VAL 232 Cb 0.86 -6.82 -0.02 0.00 -0.91 0.00 0.00 33.84 26.94 1jkt n VAL 232 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1jkt n ASN 233 N 0.17 2.84 -3.63 4.52 4.05 -1.21 -5.01 115.26 116.99 1jkt n ASN 233 Ca 0.05 -3.32 -0.30 0.00 0.45 0.00 0.00 54.58 51.46 1jkt n ASN 233 Cb 0.20 -0.56 0.26 0.00 1.23 0.00 0.00 39.78 40.91 1jkt n ASN 233 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 177.26 173.49 1jkt s TYR 234 N -3.09 0.03 -0.30 1.20 1.13 -1.26 -4.99 117.35 110.08 1jkt s TYR 234 Ca 0.42 0.47 -0.16 0.00 -1.41 0.00 0.00 57.07 56.39 1jkt s TYR 234 Cb 0.35 -3.32 0.17 0.00 -1.10 0.00 0.00 41.96 38.05 1jkt s TYR 234 CO -0.10 -4.27 1.04 -2.00 -2.51 0.00 0.00 175.55 167.71 1jkt s GLU 235 N -5.37 0.27 -0.23 -3.49 2.12 -1.26 -5.12 118.70 105.63 1jkt s GLU 235 Ca 0.71 0.58 -0.29 0.00 0.36 0.00 0.00 54.97 56.32 1jkt s GLU 235 Cb -0.10 0.23 -0.01 0.00 0.26 0.00 0.00 34.13 34.50 1jkt s GLU 235 CO 0.56 -0.08 1.41 -0.06 -0.54 0.00 0.00 175.26 176.56 1jkt s PHE 236 N 1.86 2.49 -0.12 5.30 0.08 -1.26 -4.97 117.98 121.36 1jkt s PHE 236 Ca -0.05 0.75 -0.28 0.00 0.12 0.00 0.00 56.93 57.47 1jkt s PHE 236 Cb -0.04 -3.84 -0.01 0.00 -0.57 0.00 0.00 43.02 38.55 1jkt s PHE 236 CO -0.16 -2.24 0.95 -1.21 -0.10 0.00 0.00 175.22 172.47 1jkt s GLU 237 N 4.17 4.39 0.00 0.44 0.41 -1.26 -4.91 118.70 121.94 1jkt s GLU 237 Ca 0.62 1.28 0.00 0.00 -0.41 0.00 0.00 54.97 56.46 1jkt s GLU 237 Cb -0.21 -3.55 0.00 0.00 -1.78 0.00 0.00 34.13 28.59 1jkt s GLU 237 CO 0.24 -0.30 0.46 -0.25 -0.49 0.00 0.00 175.26 174.91 1jkt n ASP 238 N 5.00 0.00 0.22 -0.19 9.92 -1.26 0.39 116.55 130.63 1jkt n ASP 238 Ca 0.07 0.46 0.05 0.00 -0.53 0.00 0.00 54.79 54.84 1jkt n ASP 238 Cb 0.49 0.00 0.08 0.00 -0.64 0.00 0.00 41.12 41.05 1jkt n ASP 238 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1jkt n GLU 239 N -0.59 0.03 0.00 -1.24 2.13 -1.26 0.27 120.64 119.97 1jkt n GLU 239 Ca 0.00 0.93 0.09 0.00 0.66 0.00 0.00 57.16 58.84 1jkt n GLU 239 Cb 0.00 -2.48 -0.01 0.00 0.27 0.00 0.00 31.44 29.22 1jkt n GLU 239 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1jkt n TYR 240 N -2.57 0.00 -0.06 4.31 4.01 -0.05 -4.73 117.16 118.08 1jkt n TYR 240 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 1jkt n TYR 240 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.09 1jkt n TYR 240 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1jkt n PHE 241 N -0.26 0.00 -0.03 -0.72 3.01 1.25 -4.77 117.46 115.94 1jkt n PHE 241 Ca 0.07 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.52 1jkt n PHE 241 Cb 0.36 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.83 1jkt n PHE 241 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1jkt n SER 242 N 0.00 -0.08 -3.34 4.37 2.88 0.16 0.16 113.62 117.78 1jkt n SER 242 Ca 0.00 0.18 -0.37 0.00 -1.33 0.00 0.00 58.87 57.35 1jkt n SER 242 Cb 0.00 -0.04 -0.03 0.00 -0.75 0.00 0.00 64.21 63.39 1jkt n SER 242 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1jkt n ASN 243 N -3.29 7.52 -4.00 -3.46 5.03 -1.26 -4.83 115.26 110.97 1jkt n ASN 243 Ca 0.00 -2.56 -0.20 0.00 0.87 0.00 0.00 54.58 52.69 1jkt n ASN 243 Cb 0.02 -1.49 -0.15 0.00 -1.02 0.00 0.00 39.78 37.14 1jkt n ASN 243 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1jkt s THR 244 N 2.54 0.74 -0.15 3.41 2.01 0.12 -5.06 115.64 119.25 1jkt s THR 244 Ca 0.62 -0.34 -0.29 0.00 0.31 0.00 0.00 61.69 61.99 1jkt s THR 244 Cb 0.16 -0.66 -0.03 0.00 0.01 0.00 0.00 72.50 71.99 1jkt s THR 244 CO -0.06 0.23 1.48 -0.94 -0.69 0.00 0.00 174.62 174.65 1jkt s SER 245 N 0.15 6.69 0.39 3.53 1.04 -1.26 -4.87 113.70 119.36 1jkt s SER 245 Ca -0.02 1.81 0.24 0.00 0.48 0.00 0.00 55.95 58.46 1jkt s SER 245 Cb -0.08 -2.54 1.38 0.00 0.10 0.00 0.00 66.02 64.89 1jkt s SER 245 CO 0.00 -0.97 1.58 0.00 0.98 0.00 0.00 173.24 174.83 1jkt n ALA 246 N 7.33 1.11 0.36 5.32 0.00 -1.26 0.24 120.51 133.61 1jkt n ALA 246 Ca 0.16 0.99 -0.18 0.00 0.00 0.00 0.00 53.44 54.42 1jkt n ALA 246 Cb 0.44 -1.03 -0.09 0.00 0.00 0.00 0.00 19.45 18.77 1jkt n ALA 246 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1jkt h LEU 247 N 0.00 -0.76 -0.76 0.00 3.38 -2.00 0.14 115.31 115.32 1jkt h LEU 247 Ca 0.86 0.02 0.16 0.00 0.09 0.00 0.00 57.88 59.00 1jkt h LEU 247 Cb 2.38 0.20 -0.14 0.00 0.09 0.00 0.00 40.66 43.19 1jkt h LEU 247 CO -0.70 -0.52 -0.14 0.00 0.09 0.00 0.00 178.44 177.16 1jkt h ALA 248 N -0.59 0.57 -0.85 1.53 0.00 0.27 -1.62 119.26 118.57 1jkt h ALA 248 Ca -0.09 0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1jkt h ALA 248 Cb 0.69 0.54 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1jkt h ALA 248 CO 0.15 -0.42 0.00 1.63 0.00 0.00 0.00 179.25 180.61 1jkt n LYS 249 N -5.46 0.00 -0.04 0.00 5.02 0.93 -2.29 118.16 116.31 1jkt n LYS 249 Ca 0.11 0.51 -0.00 0.00 -2.02 0.00 0.00 58.31 56.91 1jkt n LYS 249 Cb 0.41 -1.36 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 1jkt n LYS 249 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1jkt n ASP 250 N -1.84 -0.08 0.00 4.39 -0.08 0.46 -1.62 116.55 117.78 1jkt n ASP 250 Ca 0.00 0.18 0.00 0.00 -1.51 0.00 0.00 54.79 53.46 1jkt n ASP 250 Cb 0.00 -0.04 0.00 0.00 2.34 0.00 0.00 41.12 43.42 1jkt n ASP 250 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 1jkt n PHE 251 N -4.15 0.00 -0.32 -0.67 -0.00 -0.97 -1.58 117.46 109.77 1jkt n PHE 251 Ca 0.01 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.57 1jkt n PHE 251 Cb 0.04 0.00 0.22 0.00 -0.00 0.00 0.00 39.48 39.74 1jkt n PHE 251 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.76 177.20 1jkt n ILE 252 N -0.38 -0.38 -0.25 -2.13 -5.35 -0.64 -1.02 119.36 109.21 1jkt n ILE 252 Ca 0.00 2.04 -0.11 0.00 -0.27 0.00 0.00 62.75 64.41 1jkt n ILE 252 Cb 0.00 -2.92 -0.09 0.00 -1.74 0.00 0.00 39.64 34.89 1jkt n ILE 252 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 1jkt h ARG 253 N 0.00 -0.17 0.00 6.28 2.43 -1.02 1.59 114.38 123.49 1jkt h ARG 253 Ca 0.51 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.69 1jkt h ARG 253 Cb 0.97 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 1jkt h ARG 253 CO -0.89 -0.11 0.00 0.54 -1.51 0.00 0.00 179.97 178.00 1jkt n ARG 254 N -5.05 0.28 -0.01 0.20 1.74 -0.19 -1.04 116.66 112.61 1jkt n ARG 254 Ca -0.01 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.16 1jkt n ARG 254 Cb 0.27 -1.32 -0.13 0.00 -1.02 0.00 0.00 32.46 30.26 1jkt n ARG 254 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1jkt n LEU 255 N -0.82 0.22 -3.99 0.55 4.77 0.54 -3.36 117.00 114.90 1jkt n LEU 255 Ca 0.04 -0.13 -0.36 0.00 -0.03 0.00 0.00 56.01 55.52 1jkt n LEU 255 Cb 0.02 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.06 1jkt n LEU 255 CO 0.03 0.06 0.48 0.18 -1.33 0.00 0.00 177.39 176.81 1jkt n LEU 256 N -1.94 4.63 -4.08 2.23 4.77 -0.20 -4.62 117.00 117.80 1jkt n LEU 256 Ca -0.02 -5.19 -0.24 0.00 -0.03 0.00 0.00 56.01 50.53 1jkt n LEU 256 Cb 0.42 -1.09 -0.16 0.00 -2.33 0.00 0.00 43.42 40.26 1jkt n LEU 256 CO 0.37 1.65 -0.48 -0.69 -1.33 0.00 0.00 177.39 176.92 1jkt s VAL 257 N -1.82 1.20 0.00 4.08 1.01 -1.26 -4.98 120.40 118.63 1jkt s VAL 257 Ca 0.31 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1jkt s VAL 257 Cb -0.01 -1.05 0.00 0.00 0.00 0.00 0.00 36.38 35.31 1jkt s VAL 257 CO -0.06 0.36 0.86 1.17 0.00 0.00 0.00 175.10 177.42 1jkt n LYS 258 N 3.31 0.00 -1.87 2.72 3.00 -1.26 -4.55 118.16 119.50 1jkt n LYS 258 Ca -0.19 0.46 -0.42 0.00 -0.00 0.00 0.00 58.31 58.16 1jkt n LYS 258 Cb 0.53 -1.36 -0.03 0.00 0.00 0.00 0.00 35.03 34.17 1jkt n LYS 258 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1jkt s ASP 259 N -2.19 6.58 0.01 3.14 2.15 -1.26 -4.84 116.67 120.25 1jkt s ASP 259 Ca 0.00 2.44 -0.03 0.00 0.43 0.00 0.00 52.55 55.39 1jkt s ASP 259 Cb 0.00 -2.54 -0.01 0.00 -0.30 0.00 0.00 42.92 40.07 1jkt s ASP 259 CO 0.00 -0.96 1.04 -0.65 -0.17 0.00 0.00 175.17 174.43 1jkt h PRO 260 N 9.62 -0.04 -1.25 4.34 0.11 -1.94 -2.13 132.00 140.71 1jkt h PRO 260 Ca -0.43 0.00 0.41 0.00 0.11 0.00 0.00 66.00 66.09 1jkt h PRO 260 Cb 1.20 0.01 -0.13 0.00 0.11 0.00 0.00 31.00 32.19 1jkt h PRO 260 CO 0.94 -0.03 0.80 0.87 -0.21 0.00 0.00 178.00 180.37 1jkt h LYS 261 N -0.04 0.13 0.00 1.05 1.57 -1.96 2.90 116.57 120.22 1jkt h LYS 261 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1jkt h LYS 261 Cb 0.05 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1jkt h LYS 261 CO -0.04 0.08 0.00 1.63 -0.57 0.00 0.00 179.45 180.55 1jkt n LYS 262 N -4.74 0.98 -3.99 3.15 5.02 -0.82 -4.74 118.16 113.02 1jkt n LYS 262 Ca 0.36 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.38 1jkt n LYS 262 Cb 1.33 -1.39 -0.04 0.00 -0.02 0.00 0.00 35.03 34.92 1jkt n LYS 262 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1jkt s ARG 263 N -2.00 3.26 1.30 1.97 3.52 0.97 -4.99 118.95 122.98 1jkt s ARG 263 Ca 0.36 -0.67 -0.21 0.00 -0.13 0.00 0.00 55.73 55.08 1jkt s ARG 263 Cb 0.17 -2.87 0.32 0.00 -1.56 0.00 0.00 34.95 31.01 1jkt s ARG 263 CO 0.28 0.52 1.05 1.41 -0.81 0.00 0.00 175.30 177.75 1jkt s MET 264 N -3.12 -2.00 0.23 5.12 -2.45 -1.21 -4.99 119.30 110.88 1jkt s MET 264 Ca 0.33 -0.08 0.00 0.00 -1.25 0.00 0.00 55.69 54.69 1jkt s MET 264 Cb -0.11 -1.51 -0.04 0.00 1.25 0.00 0.00 34.83 34.42 1jkt s MET 264 CO 0.27 -4.22 0.14 0.95 1.05 0.00 0.00 175.02 173.21 1jkt s THR 265 N -2.78 0.11 0.00 10.11 -4.23 -1.26 -4.89 115.64 112.70 1jkt s THR 265 Ca 0.71 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.22 1jkt s THR 265 Cb -0.09 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 71.22 1jkt s THR 265 CO 0.56 0.00 0.78 0.00 -0.54 0.00 0.00 174.62 175.42 1jkt n ILE 266 N -0.35 0.00 -0.10 2.99 0.13 -1.26 0.10 119.36 120.87 1jkt n ILE 266 Ca 0.02 1.28 -0.03 0.00 -1.10 0.00 0.00 62.75 62.93 1jkt n ILE 266 Cb 0.66 -1.94 -0.02 0.00 -0.84 0.00 0.00 39.64 37.50 1jkt n ILE 266 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1jkt n GLN 267 N -1.89 -0.11 -0.10 9.51 6.02 -1.26 0.20 117.38 129.76 1jkt n GLN 267 Ca 0.00 0.90 -0.10 0.00 -0.01 0.00 0.00 57.00 57.79 1jkt n GLN 267 Cb 0.00 -1.33 -0.04 0.00 1.02 0.00 0.00 30.24 29.88 1jkt n GLN 267 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1jkt h ASP 268 N 0.00 -1.34 -0.86 1.08 3.32 -1.92 -0.25 116.42 116.45 1jkt h ASP 268 Ca 0.04 0.20 0.15 0.00 0.02 0.00 0.00 57.03 57.44 1jkt h ASP 268 Cb 0.10 0.59 -0.07 0.00 0.22 0.00 0.00 39.33 40.17 1jkt h ASP 268 CO -0.22 -0.37 0.56 0.77 -1.72 0.00 0.00 179.24 178.26 1jkt h SER 269 N -0.34 0.59 0.00 6.45 4.64 0.70 -0.19 113.55 125.39 1jkt h SER 269 Ca 0.13 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1jkt h SER 269 Cb 0.58 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1jkt h SER 269 CO -0.54 0.29 0.00 0.18 -0.87 0.00 0.00 176.83 175.90 1jkt n LEU 270 N -4.54 0.52 0.00 5.97 4.77 0.53 -2.59 117.00 121.66 1jkt n LEU 270 Ca 0.17 -0.26 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1jkt n LEU 270 Cb 0.49 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1jkt n LEU 270 CO 0.30 0.13 0.02 0.00 -1.33 0.00 0.00 177.39 176.51 1jkt n GLN 271 N -0.14 0.00 -1.76 3.23 1.13 -0.11 -5.00 117.38 114.72 1jkt n GLN 271 Ca 0.00 -0.05 -0.41 0.00 -1.94 0.00 0.00 57.00 54.60 1jkt n GLN 271 Cb 0.13 -0.44 -0.00 0.00 0.11 0.00 0.00 30.24 30.03 1jkt n GLN 271 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 1jkt n HIS 272 N 0.00 2.89 -0.49 1.08 -0.00 -1.03 -4.77 115.22 112.91 1jkt n HIS 272 Ca 0.00 0.43 0.37 0.00 0.46 0.00 0.00 57.72 58.98 1jkt n HIS 272 Cb 0.28 -2.53 0.58 0.00 -0.12 0.00 0.00 29.99 28.20 1jkt n HIS 272 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 1jkt n PRO 273 N 0.69 -0.00 0.14 1.57 -0.02 -1.26 0.28 135.00 136.39 1jkt n PRO 273 Ca 0.03 0.80 -0.00 0.00 -2.02 0.00 0.00 63.50 62.30 1jkt n PRO 273 Cb 0.38 -1.80 0.24 0.00 -0.02 0.00 0.00 33.50 32.30 1jkt n PRO 273 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 1jkt h TRP 274 N 0.00 0.07 -1.85 6.00 7.01 -1.90 -2.97 115.95 122.31 1jkt h TRP 274 Ca 0.67 -0.02 -0.70 0.00 2.11 0.00 0.00 58.89 60.95 1jkt h TRP 274 Cb 2.63 -0.02 -0.33 0.00 -2.10 0.00 0.00 29.16 29.34 1jkt h TRP 274 CO -0.00 0.55 0.30 -0.89 -2.79 0.00 0.00 178.44 175.61 1jkt n ILE 275 N -3.95 3.28 -3.32 2.65 2.08 0.79 -4.93 119.36 115.97 1jkt n ILE 275 Ca -0.02 -4.72 -0.46 0.00 0.56 0.00 0.00 62.75 58.11 1jkt n ILE 275 Cb 0.52 -1.28 -0.01 0.00 -0.75 0.00 0.00 39.64 38.12 1jkt n ILE 275 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 1jkt s LYS 276 N -3.86 3.94 0.00 0.38 2.47 -1.12 -4.59 119.74 116.95 1jkt s LYS 276 Ca 0.49 -2.86 0.07 0.00 -1.56 0.00 0.00 55.97 52.12 1jkt s LYS 276 Cb 0.40 -4.52 0.42 0.00 -1.46 0.00 0.00 37.83 32.67 1jkt s LYS 276 CO -0.30 -1.28 0.88 -0.35 0.16 0.00 0.00 175.35 174.46