#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 4.96 0.00 12.58 -7.23 -1.26 -5.06 120.40 124.38 1jkt s VAL 3 Ca 0.00 1.03 0.00 0.00 -1.81 0.00 0.00 61.98 61.20 1jkt s VAL 3 Cb 0.00 -3.82 0.00 0.00 0.56 0.00 0.00 36.38 33.12 1jkt s VAL 3 CO 0.00 0.50 0.00 0.49 -0.31 0.00 0.00 175.10 175.78 1jkt n PHE 4 N 2.27 0.00 -3.81 2.82 3.72 -1.26 -5.11 117.46 116.09 1jkt n PHE 4 Ca -0.11 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 56.93 1jkt n PHE 4 Cb 0.52 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.92 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 3.44 3.18 -1.02 -1.08 0.52 -1.21 -4.98 118.95 117.80 1jkt s ARG 5 Ca 0.00 -0.78 -0.01 0.00 -0.52 0.00 0.00 55.73 54.42 1jkt s ARG 5 Cb 0.00 -3.25 0.32 0.00 0.52 0.00 0.00 34.95 32.55 1jkt s ARG 5 CO 0.00 -0.36 1.83 1.04 0.02 0.00 0.00 175.30 177.83 1jkt n GLN 6 N 4.83 5.37 -4.25 3.54 1.13 -1.26 0.71 117.38 127.45 1jkt n GLN 6 Ca -0.16 -4.64 -0.20 0.00 -1.94 0.00 0.00 57.00 50.07 1jkt n GLN 6 Cb 0.49 -2.46 -0.11 0.00 0.11 0.00 0.00 30.24 28.26 1jkt n GLN 6 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1jkt s GLU 7 N -4.33 1.05 -0.43 -1.09 2.02 -1.26 -4.99 118.70 109.67 1jkt s GLU 7 Ca 0.39 -1.21 -0.28 0.00 0.02 0.00 0.00 54.97 53.90 1jkt s GLU 7 Cb 0.20 -1.04 -0.02 0.00 0.10 0.00 0.00 34.13 33.36 1jkt s GLU 7 CO -0.14 0.22 1.87 1.21 0.02 0.00 0.00 175.26 178.44 1jkt s ASN 8 N -2.28 5.57 0.62 -0.19 3.84 -1.26 -4.60 114.94 116.64 1jkt s ASN 8 Ca 0.08 0.98 0.16 0.00 0.21 0.00 0.00 52.86 54.29 1jkt s ASN 8 Cb -0.07 -2.52 0.54 0.00 -0.55 0.00 0.00 41.25 38.65 1jkt s ASN 8 CO 0.04 -2.02 1.16 0.55 -2.79 0.00 0.00 177.10 174.04 1jkt n VAL 9 N 7.40 0.00 0.27 -5.21 3.14 -1.26 0.35 118.33 123.01 1jkt n VAL 9 Ca 0.23 1.14 0.15 0.00 -2.96 0.00 0.00 64.34 62.91 1jkt n VAL 9 Cb 0.49 -2.13 0.72 0.00 -1.06 0.00 0.00 33.84 31.85 1jkt n VAL 9 CO 0.00 0.00 0.00 0.44 -6.46 0.00 0.00 176.83 170.81 1jkt h ASP 10 N 0.00 0.00 -0.95 6.55 3.32 -1.86 -1.40 116.42 122.08 1jkt h ASP 10 Ca 0.29 0.00 0.11 0.00 0.02 0.00 0.00 57.03 57.45 1jkt h ASP 10 Cb 2.54 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 42.01 1jkt h ASP 10 CO -0.00 0.08 0.61 0.44 -1.72 0.00 0.00 179.24 178.64 1jkt h ASP 11 N 0.00 0.88 0.00 6.45 3.32 0.56 -3.08 116.42 124.55 1jkt h ASP 11 Ca -0.00 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1jkt h ASP 11 Cb 0.46 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1jkt h ASP 11 CO 0.01 0.50 0.00 -1.22 -1.72 0.00 0.00 179.24 176.81 1jkt n TYR 12 N -4.56 0.00 -4.43 4.55 4.01 -1.16 -4.95 117.16 110.61 1jkt n TYR 12 Ca 0.17 -0.11 -0.22 0.00 -0.16 0.00 0.00 57.90 57.57 1jkt n TYR 12 Cb 0.32 -0.01 -0.09 0.00 -0.31 0.00 0.00 39.34 39.25 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 -0.23 1.74 0.00 -0.72 2.02 -0.54 0.36 117.35 119.99 1jkt s TYR 13 Ca 0.00 -1.29 0.00 0.00 -0.37 0.00 0.00 57.07 55.41 1jkt s TYR 13 Cb 0.00 -1.05 0.00 0.00 -0.40 0.00 0.00 41.96 40.51 1jkt s TYR 13 CO 0.00 -0.36 0.00 -0.25 -1.57 0.00 0.00 175.55 173.37 1jkt n ASP 14 N -1.11 0.56 -3.06 2.29 9.92 -1.24 -4.49 116.55 119.41 1jkt n ASP 14 Ca -0.02 0.00 0.05 0.00 -0.53 0.00 0.00 54.79 54.29 1jkt n ASP 14 Cb 0.65 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.13 1jkt n ASP 14 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1jkt s THR 15 N 1.76 -0.01 0.00 -3.53 -4.23 -1.26 -4.37 115.64 103.99 1jkt s THR 15 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 1jkt s THR 15 Cb 0.00 -0.01 0.00 0.00 1.34 0.00 0.00 72.50 73.83 1jkt s THR 15 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1jkt n GLY 16 N 4.74 2.48 0.00 3.99 0.00 -1.00 -4.90 105.19 110.51 1jkt n GLY 16 Ca 0.10 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.27 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 0.00 -2.01 1.61 2.13 -1.26 -3.71 120.64 117.40 1jkt n GLU 17 Ca 0.00 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.56 1jkt n GLU 17 Cb 0.00 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.66 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 0.00 2.45 0.59 5.31 2.12 -1.26 -1.58 118.70 126.33 1jkt s GLU 18 Ca 0.00 -0.37 -0.08 0.00 0.36 0.00 0.00 54.97 54.88 1jkt s GLU 18 Cb 0.00 -5.07 0.13 0.00 0.26 0.00 0.00 34.13 29.45 1jkt s GLU 18 CO 0.00 -3.58 0.29 1.28 -0.54 0.00 0.00 175.26 172.71 1jkt n LEU 19 N 14.47 0.00 -4.43 2.70 4.77 -0.72 -4.81 117.00 128.99 1jkt n LEU 19 Ca 0.41 -0.29 -0.40 0.00 -0.03 0.00 0.00 56.01 55.70 1jkt n LEU 19 Cb 0.47 -0.43 0.01 0.00 -2.33 0.00 0.00 43.42 41.14 1jkt n LEU 19 CO 0.61 -1.96 -0.03 0.61 -1.33 0.00 0.00 177.39 175.28 1jkt n GLY 20 N -1.36 -1.73 3.45 -0.72 0.00 -1.23 -4.54 105.19 99.06 1jkt n GLY 20 Ca 0.05 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 1jkt n GLY 20 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jkt s SER 21 N -1.01 2.95 0.40 1.61 0.01 -1.26 -1.84 113.70 114.55 1jkt s SER 21 Ca 0.64 -1.20 0.05 0.00 1.31 0.00 0.00 55.95 56.75 1jkt s SER 21 Cb -0.55 -0.20 -0.02 0.00 0.21 0.00 0.00 66.02 65.45 1jkt s SER 21 CO 0.58 -0.32 0.20 -0.83 0.41 0.00 0.00 173.24 173.28 1jkt s GLY 22 N -3.48 2.61 0.00 3.44 0.00 0.44 -4.91 107.32 105.43 1jkt s GLY 22 Ca 0.30 -1.45 0.00 0.00 0.00 0.00 0.00 44.72 43.57 1jkt s GLY 22 CO 0.13 -1.71 0.29 -0.18 0.00 0.00 0.00 173.10 171.62 1jkt n GLN 23 N -0.85 0.00 -0.02 2.90 7.27 -1.26 -3.23 117.38 122.19 1jkt n GLN 23 Ca -0.01 0.20 0.13 0.00 0.07 0.00 0.00 57.00 57.39 1jkt n GLN 23 Cb 0.64 -0.79 0.60 0.00 2.41 0.00 0.00 30.24 33.10 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 -0.49 0.05 -4.35 3.69 3.72 -1.26 -4.88 117.46 113.94 1jkt n PHE 24 Ca 0.00 -0.02 -0.21 0.00 -0.05 0.00 0.00 57.45 57.17 1jkt n PHE 24 Cb 0.00 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.43 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 -1.95 2.07 -0.30 4.37 0.00 -1.20 -3.33 121.76 121.42 1jkt s ALA 25 Ca 0.38 -1.57 -0.02 0.00 0.00 0.00 0.00 51.96 50.75 1jkt s ALA 25 Cb 0.19 -0.16 0.12 0.00 0.00 0.00 0.00 23.12 23.27 1jkt s ALA 25 CO 0.31 0.19 0.22 0.54 0.00 0.00 0.00 175.76 177.02 1jkt s VAL 26 N -2.35 -0.19 -0.41 0.00 0.11 -1.13 0.17 120.40 116.58 1jkt s VAL 26 Ca 0.19 -0.76 -0.28 0.00 -2.93 0.00 0.00 61.98 58.20 1jkt s VAL 26 Cb -0.04 -0.98 0.02 0.00 -1.53 0.00 0.00 36.38 33.86 1jkt s VAL 26 CO 0.07 -0.65 1.08 -0.69 -3.33 0.00 0.00 175.10 171.58 1jkt s VAL 27 N 2.06 4.37 0.23 2.04 1.01 -0.77 -3.38 120.40 125.96 1jkt s VAL 27 Ca 0.10 1.34 0.10 0.00 0.00 0.00 0.00 61.98 63.53 1jkt s VAL 27 Cb -0.16 -4.50 -0.04 0.00 0.00 0.00 0.00 36.38 31.68 1jkt s VAL 27 CO -0.30 -0.78 -0.14 -0.54 0.00 0.00 0.00 175.10 173.35 1jkt s LYS 28 N 4.04 1.88 0.89 2.72 1.02 0.19 -1.75 119.74 128.73 1jkt s LYS 28 Ca 0.45 -1.49 -0.14 0.00 0.02 0.00 0.00 55.97 54.81 1jkt s LYS 28 Cb -0.09 -1.98 0.16 0.00 -0.52 0.00 0.00 37.83 35.39 1jkt s LYS 28 CO 0.25 0.38 1.25 0.15 -0.92 0.00 0.00 175.35 176.46 1jkt s LYS 29 N -3.14 1.14 -0.16 1.68 1.02 -0.62 0.10 119.74 119.76 1jkt s LYS 29 Ca 0.27 -0.30 -0.34 0.00 0.02 0.00 0.00 55.97 55.61 1jkt s LYS 29 Cb -0.07 -1.92 0.14 0.00 -0.52 0.00 0.00 37.83 35.46 1jkt s LYS 29 CO 0.15 -2.08 1.33 0.00 -0.92 0.00 0.00 175.35 173.83 1jkt s ARG 31 N -2.22 0.55 -0.20 0.00 3.52 -1.26 -2.43 118.95 116.90 1jkt s ARG 31 Ca 0.13 -1.12 -0.32 0.00 -0.13 0.00 0.00 55.73 54.28 1jkt s ARG 31 Cb 0.02 -1.47 -0.15 0.00 -1.56 0.00 0.00 34.95 31.80 1jkt s ARG 31 CO -0.04 -1.11 1.00 -1.91 -0.81 0.00 0.00 175.30 172.43 1jkt n GLU 32 N 4.47 0.00 0.33 5.12 2.13 -1.24 -3.70 120.64 127.76 1jkt n GLU 32 Ca 0.04 0.00 0.21 0.00 0.66 0.00 0.00 57.16 58.07 1jkt n GLU 32 Cb 0.39 -1.10 1.16 0.00 0.27 0.00 0.00 31.44 32.15 1jkt n GLU 32 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1jkt h LYS 33 N 3.02 0.00 0.00 5.31 1.57 0.60 -1.83 116.57 125.24 1jkt h LYS 33 Ca -0.35 0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 57.98 1jkt h LYS 33 Cb 1.03 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.27 1jkt h LYS 33 CO 0.61 0.00 -2.50 -1.13 -0.57 0.00 0.00 179.45 175.86 1jkt n SER 34 N -3.18 1.96 0.20 0.86 3.41 -1.26 -4.58 113.62 111.02 1jkt n SER 34 Ca -0.03 0.30 0.11 0.00 -0.26 0.00 0.00 58.87 58.99 1jkt n SER 34 Cb 0.10 -0.79 0.13 0.00 -0.26 0.00 0.00 64.21 63.39 1jkt n SER 34 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1jkt h THR 35 N -0.91 0.06 -0.87 6.66 1.35 -1.94 -3.47 112.91 113.79 1jkt h THR 35 Ca -0.68 -1.08 -0.37 0.00 -0.55 0.00 0.00 66.41 63.72 1jkt h THR 35 Cb 1.63 1.95 -0.15 0.00 -1.73 0.00 0.00 68.15 69.85 1jkt h THR 35 CO -0.39 0.03 -0.34 0.61 -0.25 0.00 0.00 175.52 175.18 1jkt n GLY 36 N 1.12 1.75 3.91 5.82 0.00 -0.69 -4.96 105.19 112.15 1jkt n GLY 36 Ca 0.03 -0.04 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 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 -4.14 2.95 -0.33 0.99 1.43 -1.26 -4.92 118.68 113.39 1jkt s LEU 37 Ca 0.00 0.70 -0.10 0.00 -1.03 0.00 0.00 54.13 53.71 1jkt s LEU 37 Cb 0.00 -3.42 0.01 0.00 0.03 0.00 0.00 46.19 42.81 1jkt s LEU 37 CO 0.00 -1.39 0.16 -1.58 0.23 0.00 0.00 176.35 173.77 1jkt s GLN 38 N -5.21 3.08 0.01 1.70 2.00 -1.26 -3.61 119.66 116.37 1jkt s GLN 38 Ca 0.58 -0.89 0.00 0.00 -2.00 0.00 0.00 55.36 53.05 1jkt s GLN 38 Cb -0.11 -3.59 0.00 0.00 0.80 0.00 0.00 33.01 30.11 1jkt s GLN 38 CO 0.47 -0.53 0.01 0.66 -0.50 0.00 0.00 175.29 175.39 1jkt n TYR 39 N 4.96 -0.85 -3.71 1.67 4.01 -1.02 -3.63 117.16 118.59 1jkt n TYR 39 Ca -0.13 -0.06 -0.28 0.00 -0.16 0.00 0.00 57.90 57.27 1jkt n TYR 39 Cb 0.48 -0.01 -0.16 0.00 -0.31 0.00 0.00 39.34 39.33 1jkt n TYR 39 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1jkt s ALA 40 N -2.02 0.98 -0.09 -0.72 0.00 -1.06 -3.07 121.76 115.78 1jkt s ALA 40 Ca 0.00 -0.82 -0.30 0.00 0.00 0.00 0.00 51.96 50.85 1jkt s ALA 40 Cb -0.00 -1.24 -0.02 0.00 0.00 0.00 0.00 23.12 21.86 1jkt s ALA 40 CO 0.00 -1.28 1.14 0.00 0.00 0.00 0.00 175.76 175.63 1jkt s ALA 41 N 1.87 3.49 0.04 0.00 0.00 0.29 -1.78 121.76 125.68 1jkt s ALA 41 Ca 0.02 0.52 0.08 0.00 0.00 0.00 0.00 51.96 52.57 1jkt s ALA 41 Cb -0.17 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.42 1jkt s ALA 41 CO -0.13 -0.77 -0.22 0.21 0.00 0.00 0.00 175.76 174.86 1jkt s LYS 42 N 2.31 1.96 -0.03 0.00 2.20 -1.25 0.57 119.74 125.51 1jkt s LYS 42 Ca 0.53 -1.03 0.03 0.00 -0.36 0.00 0.00 55.97 55.13 1jkt s LYS 42 Cb -0.22 -2.10 0.00 0.00 -1.51 0.00 0.00 37.83 34.00 1jkt s LYS 42 CO 0.19 0.53 -0.10 -0.06 -0.36 0.00 0.00 175.35 175.55 1jkt s PHE 43 N -0.87 1.06 -0.02 4.03 0.40 -1.22 -1.30 117.98 120.07 1jkt s PHE 43 Ca 0.13 -0.26 0.05 0.00 -0.60 0.00 0.00 56.93 56.25 1jkt s PHE 43 Cb -0.10 -0.74 -0.01 0.00 0.51 0.00 0.00 43.02 42.68 1jkt s PHE 43 CO 0.04 -0.09 -0.16 0.42 0.70 0.00 0.00 175.22 176.13 1jkt s ILE 44 N 0.09 1.26 -0.10 0.64 1.09 -1.14 -2.85 121.20 120.19 1jkt s ILE 44 Ca -0.02 -0.66 -0.28 0.00 -1.10 0.00 0.00 60.65 58.59 1jkt s ILE 44 Cb -0.08 -1.06 -0.02 0.00 -1.06 0.00 0.00 42.46 40.24 1jkt s ILE 44 CO 0.01 0.36 0.92 -0.75 -0.10 0.00 0.00 174.94 175.38 1jkt s LYS 45 N -0.23 4.41 0.00 2.79 2.47 -1.21 -1.44 119.74 126.53 1jkt s LYS 45 Ca 0.03 1.23 0.00 0.00 -1.56 0.00 0.00 55.97 55.67 1jkt s LYS 45 Cb -0.08 -3.53 0.00 0.00 -1.46 0.00 0.00 37.83 32.77 1jkt s LYS 45 CO 0.00 -0.23 0.00 1.63 0.16 0.00 0.00 175.35 176.91 1jkt n LYS 46 N 4.75 0.81 -4.72 4.03 5.02 0.14 0.25 118.16 128.44 1jkt n LYS 46 Ca 0.06 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 56.02 1jkt n LYS 46 Cb 0.49 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 35.35 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 -0.27 3.26 -0.01 1.97 0.52 -1.08 -2.13 118.95 121.21 1jkt s ARG 47 Ca 0.00 -0.74 0.09 0.00 -0.52 0.00 0.00 55.73 54.56 1jkt s ARG 47 Cb 0.00 -2.59 -0.12 0.00 0.52 0.00 0.00 34.95 32.76 1jkt s ARG 47 CO 0.00 0.11 0.26 0.54 0.02 0.00 0.00 175.30 176.23 1jkt n ARG 48 N 3.78 1.65 -4.29 3.54 5.12 -1.26 -5.01 116.66 120.19 1jkt n ARG 48 Ca -0.19 -0.05 -0.28 0.00 -1.93 0.00 0.00 57.85 55.40 1jkt n ARG 48 Cb 0.52 -1.11 -0.10 0.00 -1.16 0.00 0.00 32.46 30.62 1jkt n ARG 48 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1jkt s THR 49 N -2.34 3.10 -1.21 0.55 2.01 -1.26 -5.00 115.64 111.49 1jkt s THR 49 Ca -0.01 -1.56 0.00 0.00 0.31 0.00 0.00 61.69 60.43 1jkt s THR 49 Cb 0.06 -2.49 0.00 0.00 0.01 0.00 0.00 72.50 70.08 1jkt s THR 49 CO 0.37 -0.01 0.53 1.17 -0.69 0.00 0.00 174.62 175.99 1jkt n LYS 50 N 0.37 0.00 0.00 4.92 4.81 -1.26 -3.52 118.16 123.48 1jkt n LYS 50 Ca -0.13 0.12 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1jkt n LYS 50 Cb 0.54 -1.55 0.00 0.00 0.02 0.00 0.00 35.03 34.04 1jkt n LYS 50 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1jkt n SER 51 N -1.03 0.00 -3.01 3.14 2.88 -1.26 -5.16 113.62 109.17 1jkt n SER 51 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1jkt n SER 51 Cb 0.05 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.51 1jkt n SER 51 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1jkt n SER 52 N 0.00 -0.24 0.00 -3.46 2.88 -1.23 -4.98 113.62 106.59 1jkt n SER 52 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1jkt n SER 52 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1jkt n SER 52 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1jkt n ARG 53 N -0.24 -0.29 -2.63 -1.46 0.00 -1.26 -4.96 116.66 105.82 1jkt n ARG 53 Ca 0.00 -0.18 -0.43 0.00 -0.00 0.00 0.00 57.85 57.24 1jkt n ARG 53 Cb 0.00 -0.66 -0.00 0.00 -0.00 0.00 0.00 32.46 31.80 1jkt n ARG 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 1jkt s ARG 54 N -0.01 3.99 0.00 2.89 6.06 -1.26 -4.79 118.95 125.83 1jkt s ARG 54 Ca 0.00 -2.04 0.00 0.00 -2.50 0.00 0.00 55.73 51.19 1jkt s ARG 54 Cb 0.00 -5.47 0.00 0.00 0.06 0.00 0.00 34.95 29.54 1jkt s ARG 54 CO 0.00 -2.20 0.00 0.41 -2.50 0.00 0.00 175.30 171.01 1jkt n GLY 55 N 5.29 0.30 3.13 8.12 0.00 -1.24 -4.49 105.19 116.30 1jkt n GLY 55 Ca 0.47 -1.82 -0.10 0.00 0.00 0.00 0.00 46.02 44.58 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 -1.23 0.13 0.35 1.61 1.01 0.68 -4.92 120.40 118.02 1jkt s VAL 56 Ca 0.00 -1.04 -0.26 0.00 0.00 0.00 0.00 61.98 60.68 1jkt s VAL 56 Cb 0.00 -0.87 -0.09 0.00 0.00 0.00 0.00 36.38 35.41 1jkt s VAL 56 CO 0.00 -0.57 1.05 -0.94 0.00 0.00 0.00 175.10 174.64 1jkt s SER 57 N -2.09 7.01 0.39 3.32 1.04 -1.26 -2.65 113.70 119.47 1jkt s SER 57 Ca -0.05 2.10 0.14 0.00 0.48 0.00 0.00 55.95 58.62 1jkt s SER 57 Cb -0.01 -2.60 0.81 0.00 0.10 0.00 0.00 66.02 64.32 1jkt s SER 57 CO -0.04 -0.31 1.86 -0.09 0.98 0.00 0.00 173.24 175.64 1jkt h ARG 58 N 3.08 0.00 -0.70 4.02 9.65 -1.96 -2.67 114.38 125.80 1jkt h ARG 58 Ca -0.47 0.00 0.15 0.00 -1.10 0.00 0.00 59.98 58.56 1jkt h ARG 58 Cb 1.21 0.00 -0.11 0.00 -1.39 0.00 0.00 29.97 29.68 1jkt h ARG 58 CO 0.64 0.33 0.11 1.49 2.80 0.00 0.00 179.97 185.34 1jkt h GLU 59 N 0.00 0.20 0.03 0.20 4.81 -2.00 -0.61 114.58 117.21 1jkt h GLU 59 Ca -0.00 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1jkt h GLU 59 Cb 0.60 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1jkt h GLU 59 CO 0.04 0.13 -0.01 -0.44 -0.73 0.00 0.00 179.01 178.00 1jkt h ASP 60 N 0.21 -0.03 -1.43 1.04 3.32 -1.91 -3.28 116.42 114.33 1jkt h ASP 60 Ca 0.39 0.00 0.44 0.00 0.02 0.00 0.00 57.03 57.88 1jkt h ASP 60 Cb 0.65 0.01 -0.09 0.00 0.22 0.00 0.00 39.33 40.12 1jkt h ASP 60 CO -0.53 0.44 0.99 -0.38 -1.72 0.00 0.00 179.24 178.04 1jkt n ILE 61 N -4.69 -0.09 0.00 0.35 5.41 -1.03 0.01 119.36 119.32 1jkt n ILE 61 Ca -0.00 1.35 0.00 0.00 1.00 0.00 0.00 62.75 65.10 1jkt n ILE 61 Cb 0.02 -2.23 0.00 0.00 -0.71 0.00 0.00 39.64 36.71 1jkt n ILE 61 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1jkt n GLU 62 N -3.92 0.00 -0.33 0.38 1.02 -0.24 -0.36 120.64 117.18 1jkt n GLU 62 Ca 0.36 0.45 0.18 0.00 -0.02 0.00 0.00 57.16 58.13 1jkt n GLU 62 Cb 1.52 -1.44 0.39 0.00 -0.02 0.00 0.00 31.44 31.89 1jkt n GLU 62 CO 0.00 0.00 0.00 0.07 1.18 0.00 0.00 177.13 178.38 1jkt h ARG 63 N 0.00 0.43 -0.57 3.49 0.11 -0.49 1.08 114.38 118.43 1jkt h ARG 63 Ca 0.00 -0.03 0.10 0.00 0.10 0.00 0.00 59.98 60.15 1jkt h ARG 63 Cb 0.00 -0.10 -0.08 0.00 1.11 0.00 0.00 29.97 30.91 1jkt h ARG 63 CO 0.00 0.29 0.15 0.93 0.10 0.00 0.00 179.97 181.44 1jkt h GLU 64 N 0.44 0.29 0.00 0.08 4.39 -0.80 0.83 114.58 119.82 1jkt h GLU 64 Ca 0.65 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.34 1jkt h GLU 64 Cb 1.33 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 1jkt h GLU 64 CO -0.54 0.19 -0.09 0.28 -1.16 0.00 0.00 179.01 177.70 1jkt n VAL 65 N -5.08 0.12 -0.03 3.13 0.31 0.32 -3.03 118.33 114.07 1jkt n VAL 65 Ca 0.08 -0.06 -0.09 0.00 -0.01 0.00 0.00 64.34 64.26 1jkt n VAL 65 Cb 0.28 -0.41 -0.08 0.00 -0.91 0.00 0.00 33.84 32.73 1jkt n VAL 65 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1jkt h SER 66 N 0.00 -0.05 0.15 4.52 0.87 0.54 -3.14 113.55 116.44 1jkt h SER 66 Ca 0.00 -0.52 -0.02 0.00 -1.23 0.00 0.00 61.79 60.02 1jkt h SER 66 Cb 0.55 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.52 1jkt h SER 66 CO 0.00 0.67 -0.09 0.40 -0.53 0.00 0.00 176.83 177.28 1jkt h ILE 67 N -0.95 0.83 0.00 2.23 2.04 0.13 -1.90 117.51 119.88 1jkt h ILE 67 Ca -0.01 -0.34 -0.06 0.00 1.00 0.00 0.00 64.86 65.45 1jkt h ILE 67 Cb 0.57 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 1jkt h ILE 67 CO 0.01 0.09 -0.55 -0.07 0.00 0.00 0.00 178.15 177.63 1jkt h LEU 68 N 0.00 0.00 0.16 1.44 3.38 -1.66 -3.33 115.31 115.30 1jkt h LEU 68 Ca -0.00 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.67 1jkt h LEU 68 Cb 0.19 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.95 1jkt h LEU 68 CO 0.01 0.23 -1.39 0.11 0.09 0.00 0.00 178.44 177.49 1jkt h LYS 69 N 0.00 0.33 -1.22 1.13 1.57 -1.31 -3.30 116.57 113.78 1jkt h LYS 69 Ca -0.02 -0.57 -0.30 0.00 -1.87 0.00 0.00 60.65 57.89 1jkt h LYS 69 Cb 1.20 0.21 -0.15 0.00 0.08 0.00 0.00 32.23 33.57 1jkt h LYS 69 CO 0.03 1.25 0.38 -1.91 -0.57 0.00 0.00 179.45 178.63 1jkt n GLU 70 N -3.56 1.73 -4.03 3.15 2.13 -0.83 -4.91 120.64 114.33 1jkt n GLU 70 Ca -0.13 -1.59 -0.08 0.00 0.66 0.00 0.00 57.16 56.02 1jkt n GLU 70 Cb 1.05 -1.62 -0.10 0.00 0.27 0.00 0.00 31.44 31.04 1jkt n GLU 70 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1jkt s ILE 71 N -2.02 0.19 -0.30 6.31 1.01 -1.24 -5.01 121.20 120.13 1jkt s ILE 71 Ca 0.31 -1.54 -0.15 0.00 0.00 0.00 0.00 60.65 59.26 1jkt s ILE 71 Cb 0.25 -1.28 0.18 0.00 0.01 0.00 0.00 42.46 41.62 1jkt s ILE 71 CO 0.03 -0.85 1.16 -1.58 0.00 0.00 0.00 174.94 173.69 1jkt s GLN 72 N -3.47 0.07 -0.19 2.79 0.74 -1.26 -4.83 119.66 113.51 1jkt s GLN 72 Ca 0.03 0.09 -0.11 0.00 0.05 0.00 0.00 55.36 55.42 1jkt s GLN 72 Cb 0.04 0.05 0.06 0.00 1.10 0.00 0.00 33.01 34.26 1jkt s GLN 72 CO -0.08 -0.10 0.47 -1.58 -0.55 0.00 0.00 175.29 173.44 1jkt s HIS 73 N 2.98 -0.70 -1.51 1.67 2.46 -1.26 -5.04 115.29 113.90 1jkt s HIS 73 Ca 0.14 1.46 0.00 0.00 0.47 0.00 0.00 55.06 57.13 1jkt s HIS 73 Cb -0.04 0.34 0.00 0.00 -0.13 0.00 0.00 32.58 32.75 1jkt s HIS 73 CO -0.16 -0.38 0.00 -2.30 -2.47 0.00 0.00 174.74 169.43 1jkt n PRO 74 N 4.26 0.00 -1.28 2.88 -0.02 -1.26 -2.01 135.00 137.57 1jkt n PRO 74 Ca -0.23 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.30 1jkt n PRO 74 Cb 0.56 -0.99 0.07 0.00 -0.02 0.00 0.00 33.50 33.12 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 -0.33 1.21 -3.87 2.55 4.13 -1.26 -4.86 115.26 112.83 1jkt n ASN 75 Ca 0.00 -2.50 -0.08 0.00 1.68 0.00 0.00 54.58 53.67 1jkt n ASN 75 Cb 0.00 -0.36 -0.03 0.00 -1.54 0.00 0.00 39.78 37.84 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 0.01 -0.32 2.41 -7.23 -0.85 -1.01 120.40 112.51 1jkt s VAL 76 Ca 0.35 -1.06 -0.29 0.00 -1.81 0.00 0.00 61.98 59.17 1jkt s VAL 76 Cb 0.38 -1.94 0.02 0.00 0.56 0.00 0.00 36.38 35.40 1jkt s VAL 76 CO -0.14 -0.03 1.11 -0.51 -0.31 0.00 0.00 175.10 175.22 1jkt s ILE 77 N -3.94 4.46 0.47 -0.62 1.10 -0.48 -4.76 121.20 117.44 1jkt s ILE 77 Ca 0.14 1.67 -0.17 0.00 -0.51 0.00 0.00 60.65 61.78 1jkt s ILE 77 Cb -0.03 -4.39 -0.09 0.00 0.15 0.00 0.00 42.46 38.11 1jkt s ILE 77 CO 0.05 -0.49 0.95 0.42 -2.11 0.00 0.00 174.94 173.76 1jkt s THR 78 N 3.75 4.53 0.01 4.00 -4.23 -1.26 -4.97 115.64 117.47 1jkt s THR 78 Ca 0.47 1.22 -0.02 0.00 -1.18 0.00 0.00 61.69 62.18 1jkt s THR 78 Cb -0.13 -3.69 -0.04 0.00 1.34 0.00 0.00 72.50 69.99 1jkt s THR 78 CO 0.17 -0.56 0.18 -0.22 -0.54 0.00 0.00 174.62 173.65 1jkt s LEU 79 N -3.78 4.33 0.00 4.79 1.98 -1.25 -3.21 118.68 121.55 1jkt s LEU 79 Ca 0.59 0.31 0.00 0.00 -2.89 0.00 0.00 54.13 52.14 1jkt s LEU 79 Cb -0.10 -2.68 0.00 0.00 0.66 0.00 0.00 46.19 44.07 1jkt s LEU 79 CO 0.26 0.24 0.00 1.57 -1.89 0.00 0.00 176.35 176.53 1jkt n HIS 80 N 0.78 0.00 -4.05 5.38 -0.00 -1.07 -4.97 115.22 111.29 1jkt n HIS 80 Ca -0.09 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.50 1jkt n HIS 80 Cb 0.52 0.04 -0.04 0.00 -0.00 0.00 0.00 29.99 30.51 1jkt n HIS 80 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1jkt s GLU 81 N -1.79 1.81 -0.26 1.57 2.02 -0.89 -5.03 118.70 116.12 1jkt s GLU 81 Ca 0.00 -1.59 -0.05 0.00 0.02 0.00 0.00 54.97 53.35 1jkt s GLU 81 Cb 0.00 0.46 0.14 0.00 0.10 0.00 0.00 34.13 34.82 1jkt s GLU 81 CO 0.00 -0.75 0.51 0.08 0.02 0.00 0.00 175.26 175.12 1jkt s VAL 82 N -3.30 -0.81 0.33 2.63 1.01 -1.25 -2.62 120.40 116.38 1jkt s VAL 82 Ca 0.28 0.03 0.08 0.00 0.00 0.00 0.00 61.98 62.37 1jkt s VAL 82 Cb -0.00 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 1jkt s VAL 82 CO 0.16 -0.01 0.15 -0.31 0.00 0.00 0.00 175.10 175.09 1jkt s TYR 83 N 2.73 2.73 0.15 5.22 1.51 0.57 -3.34 117.35 126.92 1jkt s TYR 83 Ca 0.07 -0.36 -0.23 0.00 -1.01 0.00 0.00 57.07 55.54 1jkt s TYR 83 Cb -0.14 -1.62 0.07 0.00 -0.11 0.00 0.00 41.96 40.16 1jkt s TYR 83 CO -0.17 0.35 0.59 -1.83 -1.11 0.00 0.00 175.55 173.38 1jkt s GLU 84 N -3.85 1.25 0.00 -0.62 -1.05 0.22 0.29 118.70 114.95 1jkt s GLU 84 Ca 0.37 -0.44 0.00 0.00 -0.15 0.00 0.00 54.97 54.75 1jkt s GLU 84 Cb -0.03 0.58 0.00 0.00 -0.44 0.00 0.00 34.13 34.24 1jkt s GLU 84 CO 0.23 -0.54 0.00 0.27 0.95 0.00 0.00 175.26 176.17 1jkt n ASN 85 N -0.29 0.00 0.23 0.83 0.23 -0.40 -4.05 115.26 111.80 1jkt n ASN 85 Ca -0.17 0.00 0.06 0.00 -0.53 0.00 0.00 54.58 53.94 1jkt n ASN 85 Cb 0.64 0.00 0.52 0.00 -2.08 0.00 0.00 39.78 38.87 1jkt n ASN 85 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 1jkt h LYS 86 N 0.00 0.00 0.00 -3.83 3.11 -2.01 -3.37 116.57 110.46 1jkt h LYS 86 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1jkt h LYS 86 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.23 1jkt h LYS 86 CO 0.00 0.19 -0.88 0.25 -2.81 0.00 0.00 179.45 176.20 1jkt n THR 87 N -4.21 0.00 -4.12 1.00 -2.24 -1.26 -4.97 114.28 98.48 1jkt n THR 87 Ca -0.02 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.49 1jkt n THR 87 Cb 0.26 -0.45 -0.06 0.00 -2.10 0.00 0.00 70.33 67.98 1jkt n THR 87 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1jkt s ASP 88 N -3.86 5.24 -0.44 3.42 1.01 -1.26 -0.69 116.67 120.10 1jkt s ASP 88 Ca 0.00 -0.21 -0.09 0.00 0.71 0.00 0.00 52.55 52.96 1jkt s ASP 88 Cb 0.00 -1.29 0.09 0.00 1.01 0.00 0.00 42.92 42.73 1jkt s ASP 88 CO 0.00 0.09 0.29 -0.69 0.21 0.00 0.00 175.17 175.07 1jkt s VAL 89 N -1.68 4.23 -0.41 -1.27 1.01 -0.52 -1.28 120.40 120.47 1jkt s VAL 89 Ca 0.29 -1.52 -0.23 0.00 0.00 0.00 0.00 61.98 60.52 1jkt s VAL 89 Cb -0.10 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.64 1jkt s VAL 89 CO 0.21 -0.59 0.77 -0.63 0.00 0.00 0.00 175.10 174.86 1jkt s ILE 90 N 1.41 4.70 -1.03 2.22 1.09 0.85 -2.90 121.20 127.54 1jkt s ILE 90 Ca 0.04 0.63 -0.05 0.00 -1.10 0.00 0.00 60.65 60.17 1jkt s ILE 90 Cb -0.24 -4.26 0.27 0.00 -1.06 0.00 0.00 42.46 37.18 1jkt s ILE 90 CO 0.01 -0.57 1.13 0.18 -0.10 0.00 0.00 174.94 175.60 1jkt n LEU 91 N 6.55 5.41 -4.68 2.97 4.77 -0.42 0.21 117.00 131.80 1jkt n LEU 91 Ca 0.02 -5.14 -0.53 0.00 -0.03 0.00 0.00 56.01 50.33 1jkt n LEU 91 Cb 0.48 -1.29 -0.06 0.00 -2.33 0.00 0.00 43.42 40.23 1jkt n LEU 91 CO 0.56 1.54 1.43 -0.38 -1.33 0.00 0.00 177.39 179.22 1jkt n ILE 92 N 2.07 0.42 -3.07 -0.08 2.08 -1.08 -3.77 119.36 115.93 1jkt n ILE 92 Ca 0.25 -0.09 0.00 0.00 0.56 0.00 0.00 62.75 63.46 1jkt n ILE 92 Cb 0.37 -1.54 0.00 0.00 -0.75 0.00 0.00 39.64 37.72 1jkt n ILE 92 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 1jkt n LEU 93 N 6.25 0.00 -4.41 1.39 4.77 -0.73 -2.10 117.00 122.16 1jkt n LEU 93 Ca 0.26 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.83 1jkt n LEU 93 Cb 0.21 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.19 1jkt n LEU 93 CO 0.78 0.00 -0.13 -0.70 -1.33 0.00 0.00 177.39 176.01 1jkt s GLU 94 N 0.78 2.91 0.10 3.23 2.12 -1.20 -2.56 118.70 124.09 1jkt s GLU 94 Ca 0.00 -1.04 -0.36 0.00 0.36 0.00 0.00 54.97 53.93 1jkt s GLU 94 Cb 0.00 -3.82 -0.16 0.00 0.26 0.00 0.00 34.13 30.41 1jkt s GLU 94 CO 0.00 -0.70 1.37 -0.11 -0.54 0.00 0.00 175.26 175.28 1jkt n LEU 95 N 5.06 1.89 -2.71 2.70 7.94 -1.24 -4.74 117.00 125.90 1jkt n LEU 95 Ca -0.12 1.11 -0.19 0.00 -1.11 0.00 0.00 56.01 55.71 1jkt n LEU 95 Cb 0.47 -1.23 0.00 0.00 0.53 0.00 0.00 43.42 43.19 1jkt n LEU 95 CO 0.38 -0.93 0.01 0.52 -1.11 0.00 0.00 177.39 176.26 1jkt n VAL 96 N 2.60 1.60 -0.27 1.96 0.31 -1.26 -4.87 118.33 118.40 1jkt n VAL 96 Ca 0.18 -4.27 0.00 0.00 -0.01 0.00 0.00 64.34 60.24 1jkt n VAL 96 Cb 0.21 -0.42 0.13 0.00 -0.91 0.00 0.00 33.84 32.85 1jkt n VAL 96 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1jkt h ALA 97 N 2.85 1.06 0.00 3.52 0.00 -1.83 -3.30 119.26 121.56 1jkt h ALA 97 Ca 0.10 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1jkt h ALA 97 Cb 0.97 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1jkt h ALA 97 CO 0.67 0.14 0.00 0.41 0.00 0.00 0.00 179.25 180.46 1jkt n GLY 98 N -1.31 0.00 0.00 0.00 0.00 -1.14 -4.70 105.19 98.04 1jkt n GLY 98 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1jkt n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jkt n GLY 99 N -0.29 3.43 3.73 -0.02 0.00 -1.22 -3.83 105.19 106.98 1jkt n GLY 99 Ca 0.00 -1.65 -0.33 0.00 0.00 0.00 0.00 46.02 44.04 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 -4.43 2.09 0.29 1.61 8.01 -1.26 -1.52 118.70 123.49 1jkt s GLU 100 Ca 0.00 1.56 0.14 0.00 0.01 0.00 0.00 54.97 56.68 1jkt s GLU 100 Cb 0.00 -1.85 0.33 0.00 -4.31 0.00 0.00 34.13 28.30 1jkt s GLU 100 CO 0.00 -1.83 1.57 1.25 0.01 0.00 0.00 175.26 176.26 1jkt h LEU 101 N -0.62 0.00 -0.02 1.80 5.85 -1.81 -2.82 115.31 117.68 1jkt h LEU 101 Ca -0.46 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.26 1jkt h LEU 101 Cb 1.27 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.30 1jkt h LEU 101 CO 0.49 0.56 0.02 0.33 -0.34 0.00 0.00 178.44 179.51 1jkt n PHE 102 N -3.50 0.01 -0.15 1.25 7.35 -1.26 -0.26 117.46 120.90 1jkt n PHE 102 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1jkt n PHE 102 Cb 0.65 -0.48 0.00 0.00 0.35 0.00 0.00 39.48 40.00 1jkt n PHE 102 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 1jkt n ASP 103 N -1.49 1.22 -0.00 -2.13 9.92 -1.07 -4.42 116.55 118.59 1jkt n ASP 103 Ca -0.00 -1.37 0.06 0.00 -0.53 0.00 0.00 54.79 52.96 1jkt n ASP 103 Cb 0.02 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 40.41 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 -0.18 0.00 1.77 1.24 -0.00 0.64 -3.93 117.46 117.01 1jkt n PHE 104 Ca 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 57.45 57.60 1jkt n PHE 104 Cb 0.14 -0.19 0.84 0.00 -0.00 0.00 0.00 39.48 40.28 1jkt n PHE 104 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 176.76 178.23 1jkt n LEU 105 N -1.71 0.15 0.08 -2.13 -0.00 0.52 -3.07 117.00 110.83 1jkt n LEU 105 Ca -0.01 0.03 -0.22 0.00 -0.00 0.00 0.00 56.01 55.82 1jkt n LEU 105 Cb 0.29 -0.08 -0.13 0.00 -0.00 0.00 0.00 43.42 43.50 1jkt n LEU 105 CO 0.27 0.03 -0.03 0.00 -0.00 0.00 0.00 177.39 177.65 1jkt h ALA 106 N 3.85 0.01 0.41 1.47 0.00 -1.79 -2.82 119.26 120.40 1jkt h ALA 106 Ca 0.00 -0.75 -0.02 0.00 0.00 0.00 0.00 54.91 54.14 1jkt h ALA 106 Cb 0.14 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1jkt h ALA 106 CO 0.00 0.66 -0.20 0.93 0.00 0.00 0.00 179.25 180.64 1jkt h GLU 107 N 0.26 -0.54 -2.83 0.00 5.08 -1.78 -3.41 114.58 111.37 1jkt h GLU 107 Ca -0.17 0.04 -0.61 0.00 -1.00 0.00 0.00 59.36 57.61 1jkt h GLU 107 Cb 1.85 0.12 -0.40 0.00 0.50 0.00 0.00 28.75 30.82 1jkt h GLU 107 CO 0.23 -0.36 -0.76 0.15 -1.00 0.00 0.00 179.01 177.27 1jkt s LYS 108 N -3.87 1.54 0.00 2.33 3.01 -1.25 -5.08 119.74 116.42 1jkt s LYS 108 Ca -0.08 -2.45 0.00 0.00 -1.01 0.00 0.00 55.97 52.42 1jkt s LYS 108 Cb 0.01 -2.39 0.00 0.00 -1.01 0.00 0.00 37.83 34.44 1jkt s LYS 108 CO 0.24 -1.27 0.00 -0.85 0.51 0.00 0.00 175.35 173.98 1jkt n GLU 109 N 2.84 0.00 0.00 1.68 0.00 -1.06 -4.37 120.64 119.73 1jkt n GLU 109 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.35 1jkt n GLU 109 Cb 0.39 -0.04 0.00 0.00 0.00 0.00 0.00 31.44 31.79 1jkt n GLU 109 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1jkt n SER 110 N 0.00 0.00 0.00 -1.84 2.88 -1.26 -4.79 113.62 108.61 1jkt n SER 110 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1jkt n SER 110 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1jkt n SER 110 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1jkt n LEU 111 N 0.00 0.00 -4.58 2.46 4.77 -1.26 -4.84 117.00 113.56 1jkt n LEU 111 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.55 1jkt n LEU 111 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1jkt n LEU 111 CO 0.00 0.00 0.95 0.42 -1.33 0.00 0.00 177.39 177.43 1jkt s THR 112 N -2.00 4.22 -0.56 -5.08 -4.23 -1.26 -4.86 115.64 101.87 1jkt s THR 112 Ca 0.00 0.90 0.00 0.00 -1.18 0.00 0.00 61.69 61.41 1jkt s THR 112 Cb 0.00 -4.60 0.00 0.00 1.34 0.00 0.00 72.50 69.24 1jkt s THR 112 CO 0.00 -1.10 0.44 -0.62 -0.54 0.00 0.00 174.62 172.80 1jkt n GLU 113 N 7.86 0.00 -0.08 3.99 1.02 -1.26 0.18 120.64 132.35 1jkt n GLU 113 Ca 0.08 0.09 -0.15 0.00 -0.02 0.00 0.00 57.16 57.17 1jkt n GLU 113 Cb 0.49 -1.66 -0.11 0.00 -0.02 0.00 0.00 31.44 30.14 1jkt n GLU 113 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1jkt h GLU 114 N 0.00 0.00 0.00 3.49 5.08 -2.00 -3.24 114.58 117.90 1jkt h GLU 114 Ca 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 1jkt h GLU 114 Cb 0.31 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 1jkt h GLU 114 CO 0.00 0.91 -0.55 0.93 -1.00 0.00 0.00 179.01 179.30 1jkt h GLU 115 N -1.00 0.00 0.00 2.33 5.08 0.15 -2.89 114.58 118.24 1jkt h GLU 115 Ca -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1jkt h GLU 115 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1jkt h GLU 115 CO -0.05 0.55 0.00 0.00 -1.00 0.00 0.00 179.01 178.51 1jkt n ALA 116 N -2.38 -0.21 -0.35 3.43 0.00 -0.26 -2.70 120.51 118.04 1jkt n ALA 116 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.38 1jkt n ALA 116 Cb 0.59 0.03 -0.03 0.00 0.00 0.00 0.00 19.45 20.05 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 -1.25 -0.53 0.00 0.00 -2.24 -1.22 0.31 114.28 109.34 1jkt n THR 117 Ca 0.00 2.07 0.00 0.00 -2.27 0.00 0.00 64.05 63.85 1jkt n THR 117 Cb 0.00 -2.64 0.00 0.00 -2.10 0.00 0.00 70.33 65.59 1jkt n THR 117 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1jkt n GLU 118 N -5.18 0.00 -0.10 -0.78 -0.58 -1.09 -0.90 120.64 112.01 1jkt n GLU 118 Ca 0.05 0.24 -0.13 0.00 -0.42 0.00 0.00 57.16 56.89 1jkt n GLU 118 Cb 0.28 -1.70 -0.04 0.00 -0.57 0.00 0.00 31.44 29.41 1jkt n GLU 118 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1jkt n PHE 119 N -1.20 0.00 -0.30 -0.32 0.99 0.91 -4.51 117.46 113.03 1jkt n PHE 119 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.45 57.58 1jkt n PHE 119 Cb 0.20 -0.61 0.30 0.00 -1.00 0.00 0.00 39.48 38.37 1jkt n PHE 119 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 1jkt h LEU 120 N -1.00 -0.02 -0.92 4.37 7.12 -0.21 0.15 115.31 124.80 1jkt h LEU 120 Ca -0.15 0.20 0.18 0.00 0.13 0.00 0.00 57.88 58.24 1jkt h LEU 120 Cb 1.13 0.28 -0.17 0.00 -0.53 0.00 0.00 40.66 41.37 1jkt h LEU 120 CO -0.09 -0.17 -0.25 0.11 -0.13 0.00 0.00 178.44 177.90 1jkt h LYS 121 N 0.19 -0.01 -0.83 1.25 1.57 -1.25 0.76 116.57 118.26 1jkt h LYS 121 Ca 0.56 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.35 1jkt h LYS 121 Cb 1.15 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.41 1jkt h LYS 121 CO -0.67 -0.00 0.55 1.96 -0.57 0.00 0.00 179.45 180.71 1jkt h GLN 122 N -0.01 1.08 -0.07 3.15 4.20 -1.20 0.35 115.11 122.61 1jkt h GLN 122 Ca 0.42 -0.06 0.02 0.00 0.06 0.00 0.00 58.65 59.09 1jkt h GLN 122 Cb 0.66 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 28.19 1jkt h GLN 122 CO -0.94 0.71 0.06 0.82 -0.67 0.00 0.00 178.83 178.81 1jkt h ILE 123 N 1.11 0.79 0.00 2.54 2.04 0.45 -0.60 117.51 123.84 1jkt h ILE 123 Ca 0.31 0.00 -0.24 0.00 1.00 0.00 0.00 64.86 65.93 1jkt h ILE 123 Cb -0.11 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 1jkt h ILE 123 CO -0.07 0.00 -1.26 -0.07 0.00 0.00 0.00 178.15 176.75 1jkt h LEU 124 N 0.00 0.02 -0.36 1.44 3.38 0.14 -2.98 115.31 116.95 1jkt h LEU 124 Ca 0.04 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1jkt h LEU 124 Cb 0.16 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1jkt h LEU 124 CO -0.00 1.02 0.20 0.78 0.09 0.00 0.00 178.44 180.52 1jkt h ASN 125 N 0.00 0.45 0.14 -0.43 4.21 0.98 0.63 115.58 121.57 1jkt h ASN 125 Ca -0.11 -0.09 -0.01 0.00 1.21 0.00 0.00 56.30 57.30 1jkt h ASN 125 Cb 1.86 -0.12 0.00 0.00 -1.12 0.00 0.00 38.32 38.95 1jkt h ASN 125 CO 0.11 0.41 -0.07 1.23 -1.29 0.00 0.00 177.43 177.83 1jkt h GLY 126 N 0.46 -0.20 1.11 2.83 0.00 -1.59 -1.79 103.07 103.90 1jkt h GLY 126 Ca 0.13 0.07 0.09 0.00 0.00 0.00 0.00 47.33 47.63 1jkt h GLY 126 CO -0.02 -0.07 0.35 -2.08 0.00 0.00 0.00 176.54 174.72 1jkt h VAL 127 N -0.60 0.41 0.55 4.60 2.07 -1.47 0.48 116.25 122.29 1jkt h VAL 127 Ca -0.02 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 1jkt h VAL 127 Cb 0.46 0.72 0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1jkt h VAL 127 CO 0.03 0.00 -0.26 0.22 0.02 0.00 0.00 177.57 177.58 1jkt h TYR 128 N 0.00 -0.68 -0.44 1.57 3.20 -0.28 -0.80 116.97 119.54 1jkt h TYR 128 Ca 0.15 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.05 1jkt h TYR 128 Cb 0.86 0.22 -0.07 0.00 1.54 0.00 0.00 36.73 39.28 1jkt h TYR 128 CO 0.00 -0.42 -0.40 -0.92 -1.64 0.00 0.00 178.16 174.77 1jkt h TYR 129 N -1.09 -1.26 0.12 -3.82 3.20 -0.09 0.96 116.97 114.98 1jkt h TYR 129 Ca -0.07 0.07 0.01 0.00 3.14 0.00 0.00 58.73 61.88 1jkt h TYR 129 Cb 0.56 0.61 -0.04 0.00 1.54 0.00 0.00 36.73 39.39 1jkt h TYR 129 CO 0.01 -0.32 -0.48 -0.07 -1.64 0.00 0.00 178.16 175.67 1jkt h LEU 130 N -0.18 -1.44 -1.56 2.82 3.38 -1.49 0.46 115.31 117.31 1jkt h LEU 130 Ca 0.07 0.15 0.40 0.00 0.09 0.00 0.00 57.88 58.60 1jkt h LEU 130 Cb 0.37 0.53 -0.10 0.00 0.09 0.00 0.00 40.66 41.55 1jkt h LEU 130 CO -0.51 -0.51 0.89 0.45 0.09 0.00 0.00 178.44 178.85 1jkt h HIS 131 N -0.69 0.41 -0.60 1.13 3.86 0.00 3.50 115.15 122.77 1jkt h HIS 131 Ca -0.01 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1jkt h HIS 131 Cb 0.69 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 29.05 1jkt h HIS 131 CO -0.44 -0.09 0.00 0.43 0.86 0.00 0.00 177.93 178.69 1jkt n SER 132 N -4.51 4.46 -0.10 2.45 7.64 0.32 -3.33 113.62 120.55 1jkt n SER 132 Ca 0.34 -2.43 0.03 0.00 1.01 0.00 0.00 58.87 57.82 1jkt n SER 132 Cb 1.36 -0.56 0.04 0.00 -1.01 0.00 0.00 64.21 64.04 1jkt n SER 132 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1jkt n LEU 133 N 1.01 1.40 -3.28 -3.43 4.77 1.14 -4.98 117.00 113.63 1jkt n LEU 133 Ca 0.24 -1.78 -0.16 0.00 -0.03 0.00 0.00 56.01 54.28 1jkt n LEU 133 Cb 0.84 -0.13 0.06 0.00 -2.33 0.00 0.00 43.42 41.87 1jkt n LEU 133 CO 0.23 0.43 0.04 0.00 -1.33 0.00 0.00 177.39 176.75 1jkt n GLN 134 N -0.61 -2.11 -3.76 3.23 1.13 0.11 -4.98 117.38 110.40 1jkt n GLN 134 Ca 0.05 0.87 -0.13 0.00 -1.94 0.00 0.00 57.00 55.84 1jkt n GLN 134 Cb 0.49 -5.68 -0.14 0.00 0.11 0.00 0.00 30.24 25.02 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 -3.37 -0.04 -0.19 5.09 1.01 -1.08 -3.11 121.20 119.50 1jkt s ILE 135 Ca 0.44 0.14 -0.10 0.00 0.00 0.00 0.00 60.65 61.13 1jkt s ILE 135 Cb -0.07 -0.24 -0.05 0.00 0.01 0.00 0.00 42.46 42.12 1jkt s ILE 135 CO 0.75 0.06 0.12 0.00 0.00 0.00 0.00 174.94 175.87 1jkt s ALA 136 N 0.96 3.68 -0.06 9.38 0.00 -0.32 -3.99 121.76 131.40 1jkt s ALA 136 Ca -0.07 -0.69 0.14 0.00 0.00 0.00 0.00 51.96 51.33 1jkt s ALA 136 Cb -0.09 -2.13 -0.21 0.00 0.00 0.00 0.00 23.12 20.68 1jkt s ALA 136 CO -0.05 0.20 0.70 1.58 0.00 0.00 0.00 175.76 178.19 1jkt n HIS 137 N 3.41 1.00 0.00 0.00 -0.00 -1.26 -1.03 115.22 117.33 1jkt n HIS 137 Ca -0.16 0.36 0.00 0.00 0.46 0.00 0.00 57.72 58.37 1jkt n HIS 137 Cb 0.52 -1.16 0.00 0.00 -0.12 0.00 0.00 29.99 29.23 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 -3.01 0.00 -2.77 1.57 3.72 -1.26 -4.15 117.46 111.55 1jkt n PHE 138 Ca -0.15 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 56.97 1jkt n PHE 138 Cb 1.00 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.52 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 0.00 4.84 -3.75 4.37 2.03 -1.26 -4.84 116.55 117.94 1jkt n ASP 139 Ca 0.00 -3.70 -0.42 0.00 0.52 0.00 0.00 54.79 51.19 1jkt n ASP 139 Cb 0.00 -0.59 0.00 0.00 -0.72 0.00 0.00 41.12 39.81 1jkt n ASP 139 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1jkt n LEU 140 N -0.30 7.11 -4.88 -2.67 0.00 -1.26 -4.88 117.00 110.12 1jkt n LEU 140 Ca 0.35 -4.89 -0.32 0.00 0.00 0.00 0.00 56.01 51.15 1jkt n LEU 140 Cb 0.44 -1.38 -0.05 0.00 0.00 0.00 0.00 43.42 42.43 1jkt n LEU 140 CO 0.35 1.70 0.17 -1.59 0.00 0.00 0.00 177.39 178.03 1jkt s LYS 141 N -1.05 3.77 0.05 1.96 -2.85 -1.26 -4.69 119.74 115.66 1jkt s LYS 141 Ca 0.42 0.20 -0.09 0.00 -1.00 0.00 0.00 55.97 55.50 1jkt s LYS 141 Cb 0.12 -2.72 -0.02 0.00 -2.06 0.00 0.00 37.83 33.15 1jkt s LYS 141 CO -0.02 0.37 0.67 -2.30 0.10 0.00 0.00 175.35 174.17 1jkt n PRO 142 N -0.00 -0.13 -0.12 1.78 -0.02 -1.26 0.65 135.00 135.89 1jkt n PRO 142 Ca -0.01 0.66 0.20 0.00 -2.02 0.00 0.00 63.50 62.33 1jkt n PRO 142 Cb 0.52 -0.97 0.31 0.00 -0.02 0.00 0.00 33.50 33.34 1jkt n PRO 142 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1jkt n GLU 143 N -3.74 0.01 0.00 -0.52 4.71 -1.26 0.13 120.64 119.98 1jkt n GLU 143 Ca 0.01 0.83 0.13 0.00 -0.01 0.00 0.00 57.16 58.12 1jkt n GLU 143 Cb 0.08 -2.09 0.31 0.00 -1.01 0.00 0.00 31.44 28.72 1jkt n GLU 143 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1jkt n ASN 144 N -2.80 1.38 -4.38 1.62 5.03 0.21 -4.62 115.26 111.69 1jkt n ASN 144 Ca 0.17 -1.15 -0.45 0.00 0.87 0.00 0.00 54.58 54.02 1jkt n ASN 144 Cb 1.21 0.18 -0.01 0.00 -1.02 0.00 0.00 39.78 40.14 1jkt n ASN 144 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1jkt s ILE 145 N -2.40 5.51 0.29 2.41 1.01 0.35 -1.88 121.20 126.49 1jkt s ILE 145 Ca 0.25 -2.77 0.04 0.00 0.00 0.00 0.00 60.65 58.17 1jkt s ILE 145 Cb 0.19 -4.68 0.04 0.00 0.01 0.00 0.00 42.46 38.03 1jkt s ILE 145 CO 0.49 -1.31 0.34 0.23 0.00 0.00 0.00 174.94 174.69 1jkt n MET 146 N 4.24 0.90 -4.57 2.79 2.81 -1.19 -2.60 117.12 119.49 1jkt n MET 146 Ca 0.25 -1.64 -0.28 0.00 -1.81 0.00 0.00 57.70 54.23 1jkt n MET 146 Cb 0.43 -0.01 -0.08 0.00 -0.71 0.00 0.00 33.22 32.85 1jkt n MET 146 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1jkt s LEU 147 N 0.00 2.03 -0.18 4.03 1.02 -0.58 -1.51 118.68 123.49 1jkt s LEU 147 Ca 0.26 -1.72 0.12 0.00 0.02 0.00 0.00 54.13 52.81 1jkt s LEU 147 Cb -0.02 -0.18 -0.20 0.00 0.02 0.00 0.00 46.19 45.81 1jkt s LEU 147 CO 0.16 -0.97 0.00 0.18 0.02 0.00 0.00 176.35 175.74 1jkt n LEU 148 N -1.02 0.70 -3.90 1.79 4.77 -1.04 -2.89 117.00 115.41 1jkt n LEU 148 Ca -0.09 -0.03 -0.10 0.00 -0.03 0.00 0.00 56.01 55.77 1jkt n LEU 148 Cb 0.65 0.15 -0.09 0.00 -2.33 0.00 0.00 43.42 41.80 1jkt n LEU 148 CO 0.35 0.53 -0.18 -0.62 -1.33 0.00 0.00 177.39 176.15 1jkt s ASP 149 N -5.38 0.14 0.00 -1.43 -1.08 -1.26 -2.91 116.67 104.75 1jkt s ASP 149 Ca -0.14 -0.51 0.00 0.00 -0.52 0.00 0.00 52.55 51.39 1jkt s ASP 149 Cb 0.06 0.25 0.00 0.00 -1.46 0.00 0.00 42.92 41.77 1jkt s ASP 149 CO 0.67 -0.54 0.00 -2.11 0.52 0.00 0.00 175.17 173.71 1jkt n ARG 150 N 0.67 1.65 0.04 4.34 1.85 -1.25 -4.61 116.66 119.35 1jkt n ARG 150 Ca -0.18 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.55 1jkt n ARG 150 Cb 0.59 -0.87 -0.13 0.00 -1.05 0.00 0.00 32.46 30.99 1jkt n ARG 150 CO 0.00 0.00 0.00 -2.95 -0.01 0.00 0.00 177.63 174.67 1jkt h ASN 151 N 0.00 0.14 -4.00 2.89 -1.07 -1.98 -3.46 115.58 108.11 1jkt h ASN 151 Ca 0.00 -0.20 -0.54 0.00 0.07 0.00 0.00 56.30 55.63 1jkt h ASN 151 Cb 0.00 -0.05 0.12 0.00 -2.07 0.00 0.00 38.32 36.33 1jkt h ASN 151 CO 0.00 1.17 0.70 -0.69 0.07 0.00 0.00 177.43 178.67 1jkt s VAL 152 N -2.64 2.06 0.06 6.14 1.01 -1.26 -4.95 120.40 120.81 1jkt s VAL 152 Ca -0.04 0.05 -0.27 0.00 0.00 0.00 0.00 61.98 61.71 1jkt s VAL 152 Cb 0.08 -3.03 -0.14 0.00 0.00 0.00 0.00 36.38 33.30 1jkt s VAL 152 CO 0.83 0.01 1.42 1.55 0.00 0.00 0.00 175.10 178.91 1jkt h PRO 153 N 2.24 -0.79 -5.37 2.72 0.13 -1.98 -3.36 132.00 125.59 1jkt h PRO 153 Ca -0.51 0.05 -0.66 0.00 -0.87 0.00 0.00 66.00 64.02 1jkt h PRO 153 Cb 1.27 0.18 -0.15 0.00 0.13 0.00 0.00 31.00 32.42 1jkt h PRO 153 CO 0.61 -0.53 0.10 0.21 -0.23 0.00 0.00 178.00 178.16 1jkt s LYS 154 N -5.16 3.28 0.17 0.86 2.47 -1.26 -5.04 119.74 115.06 1jkt s LYS 154 Ca -0.14 -0.38 -0.17 0.00 -1.56 0.00 0.00 55.97 53.72 1jkt s LYS 154 Cb 0.03 -3.95 -0.07 0.00 -1.46 0.00 0.00 37.83 32.38 1jkt s LYS 154 CO 0.45 -0.99 0.61 -2.14 0.16 0.00 0.00 175.35 173.45 1jkt s PRO 155 N 2.77 4.10 -0.69 4.03 0.02 -1.26 -5.05 135.00 138.92 1jkt s PRO 155 Ca 0.22 0.65 -0.13 0.00 0.02 0.00 0.00 61.00 61.76 1jkt s PRO 155 Cb -0.14 -2.95 0.18 0.00 0.02 0.00 0.00 34.50 31.61 1jkt s PRO 155 CO 0.18 0.47 0.62 -0.98 -0.33 0.00 0.00 177.00 176.96 1jkt s ARG 156 N -1.87 3.23 -0.06 5.54 3.03 -1.26 -5.00 118.95 122.55 1jkt s ARG 156 Ca 0.39 -2.17 -0.22 0.00 2.03 0.00 0.00 55.73 55.76 1jkt s ARG 156 Cb -0.16 -4.29 -0.04 0.00 -1.03 0.00 0.00 34.95 29.43 1jkt s ARG 156 CO 0.20 -1.29 0.63 0.96 -1.13 0.00 0.00 175.30 174.67 1jkt s ILE 157 N 0.70 5.05 0.01 4.99 -4.36 -1.26 -2.48 121.20 123.84 1jkt s ILE 157 Ca 0.12 1.29 0.08 0.00 -0.26 0.00 0.00 60.65 61.89 1jkt s ILE 157 Cb -0.19 -3.97 -0.02 0.00 1.25 0.00 0.00 42.46 39.53 1jkt s ILE 157 CO -0.04 0.31 -0.26 -0.54 0.24 0.00 0.00 174.94 174.65 1jkt s LYS 158 N 0.54 1.97 0.15 0.37 1.02 -0.57 -4.71 119.74 118.51 1jkt s LYS 158 Ca 0.34 -1.00 -0.30 0.00 0.02 0.00 0.00 55.97 55.03 1jkt s LYS 158 Cb -0.17 -2.00 -0.07 0.00 -0.52 0.00 0.00 37.83 35.07 1jkt s LYS 158 CO 0.16 0.54 0.98 0.42 -0.92 0.00 0.00 175.35 176.53 1jkt s ILE 159 N -0.69 4.30 0.31 2.17 1.01 -0.18 -3.16 121.20 124.97 1jkt s ILE 159 Ca 0.11 2.00 0.07 0.00 0.00 0.00 0.00 60.65 62.82 1jkt s ILE 159 Cb -0.10 -4.28 -0.06 0.00 0.01 0.00 0.00 42.46 38.03 1jkt s ILE 159 CO 0.00 0.35 -0.04 0.27 0.00 0.00 0.00 174.94 175.52 1jkt s ILE 160 N -0.30 1.73 0.14 2.92 -4.36 -0.79 -1.38 121.20 119.17 1jkt s ILE 160 Ca 0.46 -2.11 0.00 0.00 -0.26 0.00 0.00 60.65 58.74 1jkt s ILE 160 Cb -0.25 -2.59 0.00 0.00 1.25 0.00 0.00 42.46 40.87 1jkt s ILE 160 CO 0.31 -0.21 0.00 -0.67 0.24 0.00 0.00 174.94 174.61 1jkt n ASP 161 N -0.68 -8.99 -2.04 4.36 2.03 -1.26 -4.85 116.55 105.12 1jkt n ASP 161 Ca -0.05 1.58 -0.23 0.00 0.52 0.00 0.00 54.79 56.61 1jkt n ASP 161 Cb 0.64 -5.09 0.02 0.00 -0.72 0.00 0.00 41.12 35.98 1jkt n ASP 161 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1jkt n PHE 162 N 1.94 2.69 0.31 -0.67 3.01 -1.26 -4.86 117.46 118.62 1jkt n PHE 162 Ca 0.00 -2.22 0.19 0.00 1.01 0.00 0.00 57.45 56.43 1jkt n PHE 162 Cb 0.00 -0.34 0.99 0.00 -0.01 0.00 0.00 39.48 40.13 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 2.19 0.00 -0.41 1.37 0.00 -1.93 -2.45 103.07 101.84 1jkt h GLY 163 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.68 1jkt h GLY 163 CO 0.74 0.00 -0.20 1.04 0.00 0.00 0.00 176.54 178.12 1jkt n LEU 164 N -3.17 1.28 -4.61 3.11 4.77 -1.26 -4.98 117.00 112.14 1jkt n LEU 164 Ca -0.02 -2.06 -0.43 0.00 -0.03 0.00 0.00 56.01 53.48 1jkt n LEU 164 Cb 0.24 -0.22 -0.02 0.00 -2.33 0.00 0.00 43.42 41.09 1jkt n LEU 164 CO 0.19 0.48 1.06 0.00 -1.33 0.00 0.00 177.39 177.79 1jkt s ALA 165 N -1.49 3.19 -0.07 -1.18 0.00 -0.92 -4.56 121.76 116.72 1jkt s ALA 165 Ca 0.16 -0.36 0.05 0.00 0.00 0.00 0.00 51.96 51.81 1jkt s ALA 165 Cb 0.14 -3.87 -0.00 0.00 0.00 0.00 0.00 23.12 19.38 1jkt s ALA 165 CO 0.02 -2.17 -0.22 -1.01 0.00 0.00 0.00 175.76 172.37 1jkt s HIS 166 N 4.50 2.27 1.06 0.00 3.76 -0.20 -4.79 115.29 121.89 1jkt s HIS 166 Ca 0.50 -0.76 -0.13 0.00 -0.15 0.00 0.00 55.06 54.52 1jkt s HIS 166 Cb -0.09 -1.51 0.22 0.00 1.11 0.00 0.00 32.58 32.31 1jkt s HIS 166 CO 0.30 -0.27 1.07 0.15 -0.85 0.00 0.00 174.74 175.14 1jkt s LYS 167 N 0.07 -0.04 -0.01 1.40 -0.14 -1.26 -1.18 119.74 118.59 1jkt s LYS 167 Ca -0.09 0.58 -0.19 0.00 -1.36 0.00 0.00 55.97 54.91 1jkt s LYS 167 Cb -0.15 -1.68 0.03 0.00 -1.68 0.00 0.00 37.83 34.36 1jkt s LYS 167 CO 0.05 -3.06 0.40 0.42 -0.76 0.00 0.00 175.35 172.40 1jkt s ILE 168 N -2.83 0.05 0.00 2.17 -1.09 -1.18 -4.71 121.20 113.60 1jkt s ILE 168 Ca 0.66 -0.39 0.00 0.00 -2.23 0.00 0.00 60.65 58.69 1jkt s ILE 168 Cb -0.20 -0.77 0.00 0.00 -1.58 0.00 0.00 42.46 39.90 1jkt s ILE 168 CO 0.60 -0.22 0.00 0.47 -1.23 0.00 0.00 174.94 174.56 1jkt n ASP 169 N 1.01 0.00 0.00 3.58 8.00 -1.26 -4.90 116.55 122.98 1jkt n ASP 169 Ca -0.20 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.30 1jkt n ASP 169 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.67 1jkt n ASP 169 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1jkt n PHE 170 N -0.26 0.00 0.00 1.24 7.35 -1.26 -5.08 117.46 119.46 1jkt n PHE 170 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1jkt n PHE 170 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 1jkt n PHE 170 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1jkt n GLY 171 N -0.05 -0.05 0.00 7.13 0.00 -1.26 -5.19 105.19 105.78 1jkt n GLY 171 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.59 0.00 -4.07 1.61 0.23 -1.26 -4.90 115.26 105.28 1jkt n ASN 172 Ca 0.00 0.00 -0.12 0.00 -0.53 0.00 0.00 54.58 53.93 1jkt n ASN 172 Cb 0.00 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 37.62 1jkt n ASN 172 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 1jkt s GLU 173 N -0.51 1.35 0.00 -3.83 0.41 -1.26 -4.91 118.70 109.95 1jkt s GLU 173 Ca 0.00 -1.55 0.00 0.00 -0.41 0.00 0.00 54.97 53.01 1jkt s GLU 173 Cb 0.00 0.33 0.00 0.00 -1.78 0.00 0.00 34.13 32.68 1jkt s GLU 173 CO 0.00 -0.49 0.00 0.34 -0.49 0.00 0.00 175.26 174.62 1jkt n PHE 174 N -0.33 0.00 0.00 1.61 -0.00 -1.26 -4.75 117.46 112.73 1jkt n PHE 174 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.46 1jkt n PHE 174 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.13 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 -0.13 0.00 0.00 -4.13 2.85 -1.26 -5.14 118.16 110.35 1jkt n LYS 175 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1jkt n LYS 175 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1jkt n LYS 175 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1jkt n ASN 176 N 0.00 0.00 -1.66 -5.58 4.13 -1.26 -4.99 115.26 105.89 1jkt n ASN 176 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1jkt n ASN 176 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1jkt n ASN 176 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 1jkt n ILE 177 N 0.00 -7.39 -3.86 2.41 5.41 -1.26 -4.95 119.36 109.72 1jkt n ILE 177 Ca 0.00 2.48 -0.35 0.00 1.00 0.00 0.00 62.75 65.88 1jkt n ILE 177 Cb 0.00 -3.75 -0.05 0.00 -0.71 0.00 0.00 39.64 35.13 1jkt n ILE 177 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 176.55 176.67 1jkt s PHE 178 N -1.36 3.57 0.00 1.39 5.99 -1.26 -5.00 117.98 121.31 1jkt s PHE 178 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 56.93 57.39 1jkt s PHE 178 Cb 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 43.02 41.12 1jkt s PHE 178 CO 0.00 0.66 0.00 0.41 -0.00 0.00 0.00 175.22 176.29 1jkt n GLY 179 N 1.23 0.52 2.16 13.12 0.00 -1.26 -5.08 105.19 115.87 1jkt n GLY 179 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1jkt n GLY 179 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1jkt n THR 180 N -0.14 0.00 0.00 2.61 5.66 -1.26 -5.04 114.28 116.11 1jkt n THR 180 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1jkt n THR 180 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1jkt n THR 180 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 1jkt n PRO 181 N 0.00 0.00 -0.04 1.09 -0.02 -1.26 -4.93 135.00 129.84 1jkt n PRO 181 Ca 0.00 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.40 1jkt n PRO 181 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.45 1jkt n PRO 181 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1jkt n GLU 182 N 0.00 0.19 0.14 -0.52 4.71 -1.26 -4.76 120.64 119.15 1jkt n GLU 182 Ca 0.00 0.07 0.08 0.00 -0.01 0.00 0.00 57.16 57.30 1jkt n GLU 182 Cb 0.00 -0.95 0.45 0.00 -1.01 0.00 0.00 31.44 29.93 1jkt n GLU 182 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 1jkt n PHE 183 N -3.14 0.56 -1.08 -0.32 3.01 -1.26 -4.83 117.46 110.40 1jkt n PHE 183 Ca -0.16 0.29 -0.29 0.00 1.01 0.00 0.00 57.45 58.30 1jkt n PHE 183 Cb 0.64 -0.92 0.16 0.00 -0.01 0.00 0.00 39.48 39.35 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 -3.40 2.41 0.84 -4.37 -7.23 -1.26 -3.98 120.40 103.41 1jkt s VAL 184 Ca -0.02 0.13 -0.10 0.00 -1.81 0.00 0.00 61.98 60.19 1jkt s VAL 184 Cb 0.05 -2.54 0.15 0.00 0.56 0.00 0.00 36.38 34.60 1jkt s VAL 184 CO 0.15 -0.18 1.17 0.00 -0.31 0.00 0.00 175.10 175.93 1jkt s ALA 185 N -2.86 2.83 0.29 1.32 0.00 -1.26 -4.92 121.76 117.16 1jkt s ALA 185 Ca 0.65 -1.26 0.06 0.00 0.00 0.00 0.00 51.96 51.41 1jkt s ALA 185 Cb -0.19 -2.54 0.45 0.00 0.00 0.00 0.00 23.12 20.84 1jkt s ALA 185 CO 0.58 -1.92 1.70 -1.35 0.00 0.00 0.00 175.76 174.77 1jkt h PRO 186 N -1.11 0.24 0.00 0.00 0.11 -1.84 -2.08 132.00 127.31 1jkt h PRO 186 Ca -0.42 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1jkt h PRO 186 Cb 1.26 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1jkt h PRO 186 CO 0.44 0.62 0.00 -0.85 -0.21 0.00 0.00 178.00 178.00 1jkt n GLU 187 N -4.02 0.00 0.21 1.05 0.00 -1.26 -0.76 120.64 115.86 1jkt n GLU 187 Ca -0.02 0.20 0.04 0.00 0.00 0.00 0.00 57.16 57.38 1jkt n GLU 187 Cb 0.48 -1.03 0.20 0.00 0.00 0.00 0.00 31.44 31.09 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 0.00 -1.17 3.84 2.04 -1.81 -3.35 117.51 117.05 1jkt h ILE 188 Ca 0.00 0.00 -0.41 0.00 1.00 0.00 0.00 64.86 65.45 1jkt h ILE 188 Cb 0.00 0.17 -0.06 0.00 -0.74 0.00 0.00 36.82 36.19 1jkt h ILE 188 CO 0.00 0.00 1.03 -0.69 0.00 0.00 0.00 178.15 178.49 1jkt s VAL 189 N -3.40 3.54 -0.01 1.67 1.01 0.06 -4.18 120.40 119.10 1jkt s VAL 189 Ca -0.01 -0.27 -0.00 0.00 0.00 0.00 0.00 61.98 61.70 1jkt s VAL 189 Cb 0.02 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 32.13 1jkt s VAL 189 CO 0.07 -1.21 0.00 0.59 0.00 0.00 0.00 175.10 174.56 1jkt n ASN 190 N 12.38 -2.07 -2.13 3.32 5.03 -1.26 -4.93 115.26 125.60 1jkt n ASN 190 Ca 0.32 0.04 -0.03 0.00 0.87 0.00 0.00 54.58 55.78 1jkt n ASN 190 Cb 0.49 -1.11 0.00 0.00 -1.02 0.00 0.00 39.78 38.14 1jkt n ASN 190 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1jkt n TYR 191 N 0.03 -1.55 -0.32 3.10 -0.00 -1.26 -4.86 117.16 112.30 1jkt n TYR 191 Ca -0.00 0.62 0.00 0.00 -0.00 0.00 0.00 57.90 58.52 1jkt n TYR 191 Cb 0.01 -2.68 0.00 0.00 -0.00 0.00 0.00 39.34 36.67 1jkt n TYR 191 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25 1jkt n GLU 192 N -0.56 0.00 0.00 2.98 1.02 -1.26 -4.84 120.64 117.98 1jkt n GLU 192 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1jkt n GLU 192 Cb 0.26 -0.32 0.00 0.00 -0.02 0.00 0.00 31.44 31.36 1jkt n GLU 192 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1jkt n PRO 193 N 1.43 0.42 -4.04 3.49 -0.02 -1.26 -4.88 135.00 130.13 1jkt n PRO 193 Ca 0.00 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.24 1jkt n PRO 193 Cb 0.16 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.57 1jkt n PRO 193 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 1jkt s LEU 194 N 0.00 3.17 0.00 2.45 2.34 -1.26 -4.62 118.68 120.76 1jkt s LEU 194 Ca 0.00 -1.01 0.00 0.00 0.06 0.00 0.00 54.13 53.18 1jkt s LEU 194 Cb 0.00 -1.55 0.00 0.00 -0.56 0.00 0.00 46.19 44.08 1jkt s LEU 194 CO 0.00 -0.54 0.00 0.61 -1.06 0.00 0.00 176.35 175.36 1jkt n GLY 195 N -1.28 4.37 0.03 -3.48 0.00 -1.26 -4.82 105.19 98.76 1jkt n GLY 195 Ca -0.00 -0.65 0.15 0.00 0.00 0.00 0.00 46.02 45.51 1jkt n GLY 195 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jkt n LEU 196 N 0.00 0.12 -0.86 0.99 4.77 -1.26 -1.64 117.00 119.12 1jkt n LEU 196 Ca 0.00 0.19 0.05 0.00 -0.03 0.00 0.00 56.01 56.22 1jkt n LEU 196 Cb 0.00 -0.24 0.17 0.00 -2.33 0.00 0.00 43.42 41.02 1jkt n LEU 196 CO 0.00 0.02 0.60 -0.62 -1.33 0.00 0.00 177.39 176.07 1jkt n GLU 197 N -1.19 2.25 -0.06 3.23 4.71 -1.26 -3.57 120.64 124.75 1jkt n GLU 197 Ca 0.15 -1.39 -0.20 0.00 -0.01 0.00 0.00 57.16 55.70 1jkt n GLU 197 Cb 0.24 -1.51 -0.13 0.00 -1.01 0.00 0.00 31.44 29.03 1jkt n GLU 197 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1jkt n ALA 198 N 0.46 1.14 -0.07 0.62 0.00 -0.65 -4.31 120.51 117.70 1jkt n ALA 198 Ca 0.13 -0.84 -0.12 0.00 0.00 0.00 0.00 53.44 52.61 1jkt n ALA 198 Cb 0.46 -0.39 -0.06 0.00 0.00 0.00 0.00 19.45 19.47 1jkt n ALA 198 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1jkt h ASP 199 N -0.03 0.46 -1.29 0.00 3.32 -1.75 -2.77 116.42 114.36 1jkt h ASP 199 Ca -0.50 -0.42 0.39 0.00 0.02 0.00 0.00 57.03 56.52 1jkt h ASP 199 Cb 1.94 -0.13 -0.10 0.00 0.22 0.00 0.00 39.33 41.27 1jkt h ASP 199 CO -0.02 0.77 0.87 0.24 -1.72 0.00 0.00 179.24 179.38 1jkt h MET 200 N 0.14 0.14 0.47 3.56 2.86 -1.77 0.99 114.93 121.32 1jkt h MET 200 Ca 0.04 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.66 1jkt h MET 200 Cb 0.61 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.23 1jkt h MET 200 CO 0.03 0.09 -0.29 2.35 1.06 0.00 0.00 176.91 180.15 1jkt h TRP 201 N 0.14 -0.77 -0.86 -0.22 2.91 -1.68 0.49 115.95 115.96 1jkt h TRP 201 Ca 0.72 -0.01 0.18 0.00 1.13 0.00 0.00 58.89 60.91 1jkt h TRP 201 Cb 2.35 0.28 -0.16 0.00 -0.51 0.00 0.00 29.16 31.12 1jkt h TRP 201 CO -0.00 -0.43 -0.19 0.77 -1.03 0.00 0.00 178.44 177.55 1jkt h SER 202 N -0.71 -0.77 0.18 2.65 0.02 0.82 2.27 113.55 118.01 1jkt h SER 202 Ca -0.06 0.26 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1jkt h SER 202 Cb 0.57 0.52 0.00 0.00 0.14 0.00 0.00 62.40 63.63 1jkt h SER 202 CO 0.06 -0.28 0.00 -0.38 -1.14 0.00 0.00 176.83 175.09 1jkt n ILE 203 N -5.54 0.68 -0.12 3.27 5.41 0.48 0.14 119.36 123.68 1jkt n ILE 203 Ca 0.13 0.17 -0.20 0.00 1.00 0.00 0.00 62.75 63.85 1jkt n ILE 203 Cb 0.45 -1.00 -0.12 0.00 -0.71 0.00 0.00 39.64 38.27 1jkt n ILE 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1jkt n GLY 204 N -0.39 -0.39 0.08 7.39 0.00 0.72 -4.20 105.19 108.40 1jkt n GLY 204 Ca 0.05 -0.17 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 1jkt n GLY 204 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1jkt h VAL 205 N -0.18 1.26 -1.01 1.61 2.07 0.12 -3.05 116.25 117.08 1jkt h VAL 205 Ca -0.59 -1.19 0.41 0.00 0.82 0.00 0.00 66.70 66.16 1jkt h VAL 205 Cb 1.85 2.03 -0.18 0.00 -1.52 0.00 0.00 31.29 33.47 1jkt h VAL 205 CO -0.14 0.29 0.55 0.40 0.02 0.00 0.00 177.57 178.69 1jkt h ILE 206 N -0.62 0.02 0.73 4.57 2.04 0.11 0.08 117.51 124.44 1jkt h ILE 206 Ca -0.01 -0.01 -0.04 0.00 1.00 0.00 0.00 64.86 65.81 1jkt h ILE 206 Cb 0.54 -0.00 0.01 0.00 -0.74 0.00 0.00 36.82 36.62 1jkt h ILE 206 CO 0.01 0.00 -0.35 0.74 0.00 0.00 0.00 178.15 178.56 1jkt h THR 207 N 0.02 0.00 -1.13 -0.27 2.02 -1.70 -1.26 112.91 110.59 1jkt h THR 207 Ca 0.84 -0.12 0.44 0.00 0.77 0.00 0.00 66.41 68.35 1jkt h THR 207 Cb 2.22 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 68.47 1jkt h THR 207 CO -0.76 0.00 0.66 0.00 0.37 0.00 0.00 175.52 175.79 1jkt n TYR 208 N -4.95 1.00 0.04 3.16 4.19 -0.03 0.39 117.16 120.96 1jkt n TYR 208 Ca -0.12 1.01 -0.13 0.00 3.31 0.00 0.00 57.90 61.97 1jkt n TYR 208 Cb 0.38 -1.42 -0.09 0.00 0.49 0.00 0.00 39.34 38.70 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 1.13 -0.14 2.97 2.04 -1.28 -1.87 117.51 120.35 1jkt h ILE 209 Ca 0.86 -0.87 0.02 0.00 1.00 0.00 0.00 64.86 65.86 1jkt h ILE 209 Cb 2.45 1.68 -0.03 0.00 -0.74 0.00 0.00 36.82 40.18 1jkt h ILE 209 CO -0.66 0.21 -0.17 -0.07 0.00 0.00 0.00 178.15 177.46 1jkt h LEU 210 N -0.53 -0.59 0.00 1.44 3.38 0.86 5.73 115.31 125.60 1jkt h LEU 210 Ca -0.01 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1jkt h LEU 210 Cb 0.44 0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1jkt h LEU 210 CO 0.02 -0.12 0.00 0.18 0.09 0.00 0.00 178.44 178.61 1jkt n LEU 211 N -3.55 0.00 0.00 1.67 4.77 -0.17 -3.82 117.00 115.90 1jkt n LEU 211 Ca -0.01 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 1jkt n LEU 211 Cb 0.10 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 1jkt n LEU 211 CO -0.00 -0.36 -0.29 -1.54 -1.33 0.00 0.00 177.39 173.87 1jkt n SER 212 N -1.44 1.84 0.00 -1.43 3.41 0.34 -4.75 113.62 111.60 1jkt n SER 212 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 1jkt n SER 212 Cb 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 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 2.59 0.70 0.00 5.00 0.00 1.84 -4.46 105.19 110.85 1jkt n GLY 213 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1jkt n GLY 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jkt n ALA 214 N -0.93 0.00 -3.19 4.61 0.00 -1.25 -5.04 120.51 114.71 1jkt n ALA 214 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1jkt n ALA 214 Cb 0.38 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.72 1jkt n ALA 214 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1jkt s SER 215 N 1.00 -0.30 0.35 0.00 0.15 -1.26 -4.28 113.70 109.36 1jkt s SER 215 Ca 0.00 0.55 0.18 0.00 0.70 0.00 0.00 55.95 57.39 1jkt s SER 215 Cb 0.00 0.58 0.19 0.00 -1.71 0.00 0.00 66.02 65.08 1jkt s SER 215 CO 0.00 -0.13 1.52 1.55 1.20 0.00 0.00 173.24 177.38 1jkt h PRO 216 N 5.52 0.00 0.00 5.44 0.13 -1.92 -3.37 132.00 137.79 1jkt h PRO 216 Ca -0.26 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.82 1jkt h PRO 216 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1jkt h PRO 216 CO 0.33 0.29 -1.42 1.19 -0.23 0.00 0.00 178.00 178.15 1jkt n PHE 217 N -3.17 0.00 -1.39 1.56 3.72 -1.26 -4.19 117.46 112.72 1jkt n PHE 217 Ca 0.03 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.06 1jkt n PHE 217 Cb 0.65 -0.25 0.05 0.00 -0.94 0.00 0.00 39.48 38.99 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 -1.95 1.27 0.00 4.37 7.94 -1.26 -4.47 117.00 122.90 1jkt n LEU 218 Ca -0.05 0.68 0.00 0.00 -1.11 0.00 0.00 56.01 55.53 1jkt n LEU 218 Cb 0.39 -1.23 0.00 0.00 0.53 0.00 0.00 43.42 43.12 1jkt n LEU 218 CO 0.17 -2.90 0.00 0.61 -1.11 0.00 0.00 177.39 174.16 1jkt n GLY 219 N 1.65 5.50 0.07 -3.96 0.00 -1.26 -4.85 105.19 102.33 1jkt n GLY 219 Ca 0.11 -0.94 -0.03 0.00 0.00 0.00 0.00 46.02 45.16 1jkt n GLY 219 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jkt n ASP 220 N 0.00 0.76 -4.85 1.61 8.00 -1.26 -4.90 116.55 115.90 1jkt n ASP 220 Ca 0.00 0.13 -0.34 0.00 0.71 0.00 0.00 54.79 55.28 1jkt n ASP 220 Cb 0.00 -0.58 -0.06 0.00 -0.02 0.00 0.00 41.12 40.47 1jkt n ASP 220 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1jkt s THR 221 N -1.74 4.89 -1.37 -3.53 -4.23 -1.26 -4.93 115.64 103.47 1jkt s THR 221 Ca -0.11 0.72 0.00 0.00 -1.18 0.00 0.00 61.69 61.12 1jkt s THR 221 Cb 0.02 -3.70 0.00 0.00 1.34 0.00 0.00 72.50 70.15 1jkt s THR 221 CO 0.16 0.18 0.46 0.29 -0.54 0.00 0.00 174.62 175.17 1jkt n LYS 222 N 0.61 0.00 -0.01 3.99 5.02 -1.26 0.91 118.16 127.42 1jkt n LYS 222 Ca -0.04 0.06 -0.02 0.00 -2.02 0.00 0.00 58.31 56.30 1jkt n LYS 222 Cb 0.52 -1.52 -0.12 0.00 -0.02 0.00 0.00 35.03 33.89 1jkt n LYS 222 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1jkt n GLN 223 N -0.96 0.64 -0.00 1.97 1.13 -1.26 -3.93 117.38 114.97 1jkt n GLN 223 Ca 0.00 0.12 -0.20 0.00 -1.94 0.00 0.00 57.00 54.98 1jkt n GLN 223 Cb 0.02 -1.70 -0.14 0.00 0.11 0.00 0.00 30.24 28.53 1jkt n GLN 223 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 1jkt h GLU 224 N 0.00 0.20 0.00 -1.09 4.81 0.16 -3.23 114.58 115.43 1jkt h GLU 224 Ca -0.24 -0.35 0.00 0.00 -0.13 0.00 0.00 59.36 58.64 1jkt h GLU 224 Cb 1.70 0.13 0.00 0.00 0.63 0.00 0.00 28.75 31.21 1jkt h GLU 224 CO 0.04 1.17 0.00 2.41 -0.73 0.00 0.00 179.01 181.90 1jkt n THR 225 N -4.13 0.00 0.00 0.32 -1.04 -0.99 -0.60 114.28 107.85 1jkt n THR 225 Ca -0.20 1.34 0.00 0.00 -2.04 0.00 0.00 64.05 63.15 1jkt n THR 225 Cb 0.80 -1.91 0.00 0.00 -1.82 0.00 0.00 70.33 67.40 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 -2.27 0.00 -0.01 -4.42 4.77 -1.25 -0.20 117.00 113.61 1jkt n LEU 226 Ca 0.00 0.75 -0.00 0.00 -0.03 0.00 0.00 56.01 56.73 1jkt n LEU 226 Cb 0.00 -0.25 -0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1jkt n LEU 226 CO 0.00 -0.25 0.02 0.00 -1.33 0.00 0.00 177.39 175.83 1jkt n ALA 227 N -1.97 -0.02 0.08 -1.18 0.00 -0.97 0.28 120.51 116.73 1jkt n ALA 227 Ca 0.00 0.03 -0.13 0.00 0.00 0.00 0.00 53.44 53.34 1jkt n ALA 227 Cb 0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 19.45 19.38 1jkt n ALA 227 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1jkt h ASN 228 N 0.00 -1.07 -0.01 0.00 -0.26 0.19 -2.63 115.58 111.81 1jkt h ASN 228 Ca 0.01 0.13 0.00 0.00 -0.56 0.00 0.00 56.30 55.88 1jkt h ASN 228 Cb 0.02 0.42 -0.00 0.00 -1.06 0.00 0.00 38.32 37.69 1jkt h ASN 228 CO -0.03 -0.42 -0.03 0.58 -1.06 0.00 0.00 177.43 176.47 1jkt h VAL 229 N -0.54 0.00 0.00 2.81 2.07 0.49 0.52 116.25 121.60 1jkt h VAL 229 Ca 0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.57 1jkt h VAL 229 Cb 0.61 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1jkt h VAL 229 CO -0.26 0.00 0.00 -0.24 0.02 0.00 0.00 177.57 177.09 1jkt n SER 230 N -2.73 0.00 0.00 0.57 2.88 -0.95 0.20 113.62 113.59 1jkt n SER 230 Ca -0.00 0.89 0.00 0.00 -1.33 0.00 0.00 58.87 58.42 1jkt n SER 230 Cb 0.02 -0.39 0.00 0.00 -0.75 0.00 0.00 64.21 63.09 1jkt n SER 230 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jkt n ALA 231 N -2.32 1.02 -3.45 -1.46 0.00 -0.99 -4.75 120.51 108.56 1jkt n ALA 231 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 1jkt n ALA 231 Cb 0.00 -0.78 0.01 0.00 0.00 0.00 0.00 19.45 18.68 1jkt n ALA 231 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1jkt n VAL 232 N -1.09 -5.88 -1.97 0.00 0.31 0.52 -4.88 118.33 105.34 1jkt n VAL 232 Ca 0.00 0.09 -0.33 0.00 -0.01 0.00 0.00 64.34 64.09 1jkt n VAL 232 Cb 0.04 -4.47 0.03 0.00 -0.91 0.00 0.00 33.84 28.53 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 -1.47 6.43 -4.73 4.52 5.15 0.14 -4.99 115.26 120.30 1jkt n ASN 233 Ca -0.14 -3.78 -0.30 0.00 -0.60 0.00 0.00 54.58 49.76 1jkt n ASN 233 Cb 0.62 -0.78 0.13 0.00 -0.53 0.00 0.00 39.78 39.22 1jkt n ASN 233 CO 0.00 0.00 0.00 -0.72 1.40 0.00 0.00 177.26 177.94 1jkt s TYR 234 N -3.82 2.40 0.06 1.20 1.13 -1.26 -4.93 117.35 112.13 1jkt s TYR 234 Ca 0.53 1.26 -0.11 0.00 -1.41 0.00 0.00 57.07 57.35 1jkt s TYR 234 Cb 0.44 -3.15 0.01 0.00 -1.10 0.00 0.00 41.96 38.16 1jkt s TYR 234 CO -0.21 -2.28 0.24 -2.00 -2.51 0.00 0.00 175.55 168.79 1jkt s GLU 235 N -4.96 0.80 -0.23 -3.49 2.56 -1.26 -5.10 118.70 107.02 1jkt s GLU 235 Ca 0.63 -0.68 -0.12 0.00 0.00 0.00 0.00 54.97 54.79 1jkt s GLU 235 Cb -0.17 0.33 -0.05 0.00 2.00 0.00 0.00 34.13 36.24 1jkt s GLU 235 CO 0.57 -0.25 0.23 -0.06 -0.56 0.00 0.00 175.26 175.19 1jkt s PHE 236 N -3.00 3.34 -0.40 5.30 0.08 -1.26 -4.92 117.98 117.11 1jkt s PHE 236 Ca -0.02 0.35 -0.20 0.00 0.12 0.00 0.00 56.93 57.19 1jkt s PHE 236 Cb 0.01 -2.34 0.01 0.00 -0.57 0.00 0.00 43.02 40.13 1jkt s PHE 236 CO -0.06 0.05 0.58 -1.21 -0.10 0.00 0.00 175.22 174.48 1jkt s GLU 237 N 1.11 3.38 0.41 0.44 0.41 -1.26 -4.91 118.70 118.28 1jkt s GLU 237 Ca 0.11 -0.33 0.22 0.00 -0.41 0.00 0.00 54.97 54.56 1jkt s GLU 237 Cb -0.14 -3.90 1.20 0.00 -1.78 0.00 0.00 34.13 29.51 1jkt s GLU 237 CO 0.05 -0.87 1.74 0.22 -0.49 0.00 0.00 175.26 175.91 1jkt h ASP 238 N 8.71 0.38 -0.37 -0.19 1.82 -1.98 4.14 116.42 128.93 1jkt h ASP 238 Ca -0.26 0.09 0.07 0.00 -0.39 0.00 0.00 57.03 56.54 1jkt h ASP 238 Cb 1.11 0.04 -0.02 0.00 0.68 0.00 0.00 39.33 41.14 1jkt h ASP 238 CO 0.84 0.01 0.25 -0.33 -1.61 0.00 0.00 179.24 178.41 1jkt h GLU 239 N 0.30 0.19 0.00 0.28 5.08 -2.01 -3.30 114.58 115.12 1jkt h GLU 239 Ca 0.65 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 59.00 1jkt h GLU 239 Cb 1.79 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.00 1jkt h GLU 239 CO -0.32 0.13 -0.81 0.66 -1.00 0.00 0.00 179.01 177.68 1jkt n TYR 240 N -4.47 0.00 -3.46 4.33 4.02 0.46 -4.91 117.16 113.13 1jkt n TYR 240 Ca 0.05 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.67 1jkt n TYR 240 Cb 0.30 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.54 1jkt n TYR 240 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1jkt n PHE 241 N -1.27 2.68 -0.90 -0.72 3.01 1.26 -4.73 117.46 116.80 1jkt n PHE 241 Ca 0.00 -4.04 0.00 0.00 1.01 0.00 0.00 57.45 54.42 1jkt n PHE 241 Cb 0.05 -0.50 0.00 0.00 -0.01 0.00 0.00 39.48 39.03 1jkt n PHE 241 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1jkt n SER 242 N 1.22 0.12 -0.28 4.37 3.41 -1.25 -4.22 113.62 116.99 1jkt n SER 242 Ca 0.27 -1.01 0.00 0.00 -0.26 0.00 0.00 58.87 57.86 1jkt n SER 242 Cb 0.42 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 1jkt n SER 242 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1jkt n ASN 243 N -0.01 0.00 -4.89 4.04 5.03 -1.26 -5.09 115.26 113.08 1jkt n ASN 243 Ca 0.00 -1.55 -0.33 0.00 0.87 0.00 0.00 54.58 53.57 1jkt n ASN 243 Cb 0.26 -0.11 -0.05 0.00 -1.02 0.00 0.00 39.78 38.86 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 0.00 5.16 -0.01 3.41 2.01 -1.26 -5.02 115.64 119.93 1jkt s THR 244 Ca 0.00 0.19 -0.40 0.00 0.31 0.00 0.00 61.69 61.79 1jkt s THR 244 Cb 0.00 -3.62 -0.20 0.00 0.01 0.00 0.00 72.50 68.69 1jkt s THR 244 CO 0.00 0.17 1.11 -1.54 -0.69 0.00 0.00 174.62 173.67 1jkt n SER 245 N 0.51 0.18 0.25 3.53 3.41 -1.26 -4.75 113.62 115.50 1jkt n SER 245 Ca -0.06 1.16 0.18 0.00 -0.26 0.00 0.00 58.87 59.89 1jkt n SER 245 Cb 0.52 -0.94 0.86 0.00 -0.26 0.00 0.00 64.21 64.39 1jkt n SER 245 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jkt h ALA 246 N 3.21 1.59 0.00 7.33 0.00 -1.97 -1.24 119.26 128.18 1jkt h ALA 246 Ca -0.50 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 1jkt h ALA 246 Cb 1.42 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1jkt h ALA 246 CO 0.67 -0.34 -0.01 -0.07 0.00 0.00 0.00 179.25 179.50 1jkt h LEU 247 N 0.00 0.00 0.28 0.00 3.38 -1.97 -1.27 115.31 115.73 1jkt h LEU 247 Ca 0.07 -0.91 -0.00 0.00 0.09 0.00 0.00 57.88 57.13 1jkt h LEU 247 Cb 0.61 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 1jkt h LEU 247 CO -0.00 0.91 -0.45 0.00 0.09 0.00 0.00 178.44 178.99 1jkt h ALA 248 N 0.09 -1.03 -0.87 1.53 0.00 -1.67 3.87 119.26 121.18 1jkt h ALA 248 Ca -0.00 -0.13 0.25 0.00 0.00 0.00 0.00 54.91 55.03 1jkt h ALA 248 Cb 0.91 0.75 -0.03 0.00 0.00 0.00 0.00 17.79 19.42 1jkt h ALA 248 CO 0.00 -1.09 0.97 0.87 0.00 0.00 0.00 179.25 180.00 1jkt h LYS 249 N -0.77 0.00 0.00 0.00 1.57 -1.35 0.19 116.57 116.20 1jkt h LYS 249 Ca -0.03 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1jkt h LYS 249 Cb 0.71 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.02 1jkt h LYS 249 CO -0.15 0.00 -0.39 0.22 -0.57 0.00 0.00 179.45 178.56 1jkt h ASP 250 N 0.00 0.00 -0.69 0.86 1.82 0.25 -3.28 116.42 115.38 1jkt h ASP 250 Ca 0.41 -0.05 0.26 0.00 -0.39 0.00 0.00 57.03 57.27 1jkt h ASP 250 Cb 2.36 0.00 -0.13 0.00 0.68 0.00 0.00 39.33 42.24 1jkt h ASP 250 CO -0.00 0.72 0.27 0.33 -1.61 0.00 0.00 179.24 178.95 1jkt n PHE 251 N -4.65 0.70 -0.04 0.28 -0.00 1.19 0.35 117.46 115.28 1jkt n PHE 251 Ca -0.06 0.82 -0.12 0.00 -0.00 0.00 0.00 57.45 58.08 1jkt n PHE 251 Cb 0.21 -1.18 -0.07 0.00 -0.00 0.00 0.00 39.48 38.45 1jkt n PHE 251 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 1jkt h ILE 252 N 0.00 1.30 -1.07 -2.13 2.04 -1.41 -2.61 117.51 113.63 1jkt h ILE 252 Ca 0.54 -1.02 0.29 0.00 1.00 0.00 0.00 64.86 65.67 1jkt h ILE 252 Cb 1.35 1.74 -0.07 0.00 -0.74 0.00 0.00 36.82 39.10 1jkt h ILE 252 CO -0.57 0.29 0.73 0.03 0.00 0.00 0.00 178.15 178.64 1jkt h ARG 253 N -0.10 0.20 -0.39 2.37 3.08 0.60 0.76 114.38 120.90 1jkt h ARG 253 Ca 0.03 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1jkt h ARG 253 Cb 0.48 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1jkt h ARG 253 CO 0.01 0.13 0.00 0.54 -1.07 0.00 0.00 179.97 179.59 1jkt n ARG 254 N -4.43 1.08 0.08 0.04 1.74 -0.70 -4.34 116.66 110.14 1jkt n ARG 254 Ca 0.24 -0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 1jkt n ARG 254 Cb 1.02 -1.21 0.00 0.00 -1.02 0.00 0.00 32.46 31.24 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 -0.26 0.04 -4.56 0.55 4.77 0.26 -2.92 117.00 114.88 1jkt n LEU 255 Ca 0.01 0.28 -0.20 0.00 -0.03 0.00 0.00 56.01 56.06 1jkt n LEU 255 Cb 0.12 0.18 -0.06 0.00 -2.33 0.00 0.00 43.42 41.33 1jkt n LEU 255 CO 0.01 -0.69 1.37 -0.76 -1.33 0.00 0.00 177.39 175.99 1jkt s LEU 256 N -6.28 3.02 -0.05 2.23 1.43 -0.79 -4.80 118.68 113.43 1jkt s LEU 256 Ca 0.00 0.05 -0.02 0.00 -1.03 0.00 0.00 54.13 53.13 1jkt s LEU 256 Cb 0.00 -2.54 0.03 0.00 0.03 0.00 0.00 46.19 43.71 1jkt s LEU 256 CO 0.00 -3.44 0.10 -0.69 0.23 0.00 0.00 176.35 172.54 1jkt s VAL 257 N 13.21 -0.05 0.00 -1.59 1.01 -1.26 -4.85 120.40 126.87 1jkt s VAL 257 Ca 0.87 0.19 0.00 0.00 0.00 0.00 0.00 61.98 63.04 1jkt s VAL 257 Cb -0.12 -0.17 0.00 0.00 0.00 0.00 0.00 36.38 36.09 1jkt s VAL 257 CO 0.09 0.08 0.90 1.17 0.00 0.00 0.00 175.10 177.34 1jkt n LYS 258 N 4.15 0.00 -2.49 2.72 4.81 -1.26 -4.40 118.16 121.68 1jkt n LYS 258 Ca -0.26 0.79 -0.43 0.00 -0.87 0.00 0.00 58.31 57.54 1jkt n LYS 258 Cb 0.51 -1.40 -0.02 0.00 0.02 0.00 0.00 35.03 34.14 1jkt n LYS 258 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1jkt s ASP 259 N -2.77 7.04 0.00 3.14 -1.08 -1.26 -4.64 116.67 117.10 1jkt s ASP 259 Ca 0.00 1.71 0.00 0.00 -0.52 0.00 0.00 52.55 53.74 1jkt s ASP 259 Cb 0.00 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.91 1jkt s ASP 259 CO 0.00 -0.63 0.16 -2.65 0.52 0.00 0.00 175.17 172.57 1jkt n PRO 260 N 5.71 0.17 -0.14 4.34 -0.02 -1.26 -2.71 135.00 141.09 1jkt n PRO 260 Ca 0.12 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.34 1jkt n PRO 260 Cb 0.46 -1.01 -0.10 0.00 -0.02 0.00 0.00 33.50 32.82 1jkt n PRO 260 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1jkt n LYS 261 N -0.37 0.60 0.00 -0.52 5.02 -1.26 -4.19 118.16 117.44 1jkt n LYS 261 Ca 0.00 0.22 0.07 0.00 -2.02 0.00 0.00 58.31 56.59 1jkt n LYS 261 Cb 0.01 -1.49 0.34 0.00 -0.02 0.00 0.00 35.03 33.87 1jkt n LYS 261 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1jkt n LYS 262 N -3.94 0.11 -2.48 1.97 5.02 -1.10 -4.76 118.16 112.98 1jkt n LYS 262 Ca -0.52 0.20 -0.33 0.00 -2.02 0.00 0.00 58.31 55.64 1jkt n LYS 262 Cb 0.92 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 34.39 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 -2.79 3.81 0.00 1.97 3.52 -1.24 -4.99 118.95 119.24 1jkt s ARG 263 Ca 0.11 1.22 0.00 0.00 -0.13 0.00 0.00 55.73 56.92 1jkt s ARG 263 Cb 0.10 -2.11 0.00 0.00 -1.56 0.00 0.00 34.95 31.38 1jkt s ARG 263 CO 0.25 -0.40 0.00 -1.33 -0.81 0.00 0.00 175.30 173.01 1jkt n MET 264 N -1.21 1.03 -3.23 5.12 2.81 -1.15 -5.05 117.12 115.44 1jkt n MET 264 Ca 0.08 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.87 1jkt n MET 264 Cb 0.53 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 33.01 1jkt n MET 264 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1jkt n THR 265 N -0.59 0.00 -0.15 2.03 -2.24 -1.26 -4.97 114.28 107.10 1jkt n THR 265 Ca 0.00 -1.28 -0.10 0.00 -2.27 0.00 0.00 64.05 60.40 1jkt n THR 265 Cb 0.00 0.74 -0.01 0.00 -2.10 0.00 0.00 70.33 68.96 1jkt n THR 265 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 1jkt h ILE 266 N 1.68 1.24 0.12 2.28 6.09 -1.96 -2.22 117.51 124.74 1jkt h ILE 266 Ca -0.17 -0.85 -0.01 0.00 -1.37 0.00 0.00 64.86 62.47 1jkt h ILE 266 Cb 0.78 0.97 0.00 0.00 0.47 0.00 0.00 36.82 39.05 1jkt h ILE 266 CO 0.24 0.29 -0.06 1.56 -3.07 0.00 0.00 178.15 177.12 1jkt h GLN 267 N 0.56 -0.15 -0.86 2.19 7.50 -1.98 -1.10 115.11 121.26 1jkt h GLN 267 Ca 0.13 0.01 0.25 0.00 0.50 0.00 0.00 58.65 59.54 1jkt h GLN 267 Cb 0.35 0.03 -0.03 0.00 0.05 0.00 0.00 27.48 27.88 1jkt h GLN 267 CO 0.01 -0.10 0.81 -0.25 -1.50 0.00 0.00 178.83 177.79 1jkt n ASP 268 N -2.66 0.00 -0.06 1.46 9.92 -1.23 0.12 116.55 124.10 1jkt n ASP 268 Ca -0.02 0.52 -0.03 0.00 -0.53 0.00 0.00 54.79 54.73 1jkt n ASP 268 Cb 0.06 -0.21 -0.01 0.00 -0.64 0.00 0.00 41.12 40.32 1jkt n ASP 268 CO 0.00 0.00 0.00 0.77 0.13 0.00 0.00 177.20 178.10 1jkt h SER 269 N 0.00 0.00 -1.03 -2.24 4.64 -1.27 -3.38 113.55 110.27 1jkt h SER 269 Ca 0.41 0.00 0.29 0.00 -0.47 0.00 0.00 61.79 62.01 1jkt h SER 269 Cb 2.01 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.98 1jkt h SER 269 CO -0.00 0.66 0.62 -0.07 -0.87 0.00 0.00 176.83 177.16 1jkt h LEU 270 N -0.94 0.56 -0.69 5.97 3.38 0.22 0.92 115.31 124.74 1jkt h LEU 270 Ca 0.00 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1jkt h LEU 270 Cb 0.38 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1jkt h LEU 270 CO 0.00 0.01 0.00 0.00 0.09 0.00 0.00 178.44 178.54 1jkt n GLN 271 N -4.88 0.73 -3.29 1.13 1.13 0.03 -3.88 117.38 108.35 1jkt n GLN 271 Ca 0.29 0.00 -0.38 0.00 -1.94 0.00 0.00 57.00 54.97 1jkt n GLN 271 Cb 0.89 -1.25 -0.06 0.00 0.11 0.00 0.00 30.24 29.93 1jkt n GLN 271 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 1jkt s HIS 272 N -1.31 3.55 0.55 1.08 2.46 0.32 -4.87 115.29 117.06 1jkt s HIS 272 Ca 0.00 0.96 0.48 0.00 0.47 0.00 0.00 55.06 56.97 1jkt s HIS 272 Cb 0.00 -2.56 1.71 0.00 -0.13 0.00 0.00 32.58 31.60 1jkt s HIS 272 CO 0.00 0.21 1.60 -1.35 -2.47 0.00 0.00 174.74 172.72 1jkt h PRO 273 N 6.50 0.00 0.36 2.88 0.11 -1.87 1.13 132.00 141.11 1jkt h PRO 273 Ca -0.42 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.67 1jkt h PRO 273 Cb 1.18 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1jkt h PRO 273 CO 0.74 0.00 -0.17 2.35 -0.21 0.00 0.00 178.00 180.71 1jkt h TRP 274 N 0.00 -0.45 0.00 0.65 7.01 -1.91 -3.25 115.95 118.01 1jkt h TRP 274 Ca 0.91 -0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.86 1jkt h TRP 274 Cb 3.60 0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 30.80 1jkt h TRP 274 CO -0.00 -0.16 -0.93 0.82 -2.79 0.00 0.00 178.44 175.38 1jkt h ILE 275 N -0.69 0.11 -4.03 2.65 1.08 -0.25 -3.46 117.51 112.93 1jkt h ILE 275 Ca -0.05 -1.21 -0.66 0.00 -0.39 0.00 0.00 64.86 62.55 1jkt h ILE 275 Cb 0.48 1.68 -0.31 0.00 -3.07 0.00 0.00 36.82 35.60 1jkt h ILE 275 CO 0.08 0.06 -0.88 -0.75 -0.69 0.00 0.00 178.15 175.98 1jkt s LYS 276 N -3.26 2.36 0.00 2.37 2.20 0.34 -4.97 119.74 118.77 1jkt s LYS 276 Ca 0.00 -0.84 0.04 0.00 -0.36 0.00 0.00 55.97 54.80 1jkt s LYS 276 Cb 0.09 -2.02 0.21 0.00 -1.51 0.00 0.00 37.83 34.60 1jkt s LYS 276 CO 0.78 0.36 0.69 -0.35 -0.36 0.00 0.00 175.35 176.48