#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j4l s ASN 2 N 0.00 5.02 -0.07 7.83 0.01 -1.26 -1.25 114.94 125.22 2j4l s ASN 2 Ca 0.00 -0.17 -0.07 0.00 -0.71 0.00 0.00 52.86 51.91 2j4l s ASN 2 Cb 0.00 -1.20 0.02 0.00 0.41 0.00 0.00 41.25 40.48 2j4l s ASN 2 CO 0.00 0.18 0.19 -0.51 -1.51 0.00 0.00 177.10 175.45 2j4l s ILE 3 N -1.29 0.01 -0.10 0.60 2.07 -0.47 -3.83 121.20 118.19 2j4l s ILE 3 Ca 0.25 -0.05 -0.01 0.00 -1.41 0.00 0.00 60.65 59.44 2j4l s ILE 3 Cb -0.12 -0.29 -0.03 0.00 0.13 0.00 0.00 42.46 42.16 2j4l s ILE 3 CO 0.18 -0.03 -0.05 -0.63 -1.91 0.00 0.00 174.94 172.50 2j4l s ILE 4 N -0.00 3.80 -0.24 2.00 -1.09 -1.09 -1.20 121.20 123.37 2j4l s ILE 4 Ca -0.01 -0.43 0.02 0.00 -2.23 0.00 0.00 60.65 58.00 2j4l s ILE 4 Cb -0.02 -2.59 0.05 0.00 -1.58 0.00 0.00 42.46 38.32 2j4l s ILE 4 CO 0.00 0.57 -0.13 -0.22 -1.23 0.00 0.00 174.94 173.94 2j4l s LEU 5 N -0.46 3.12 -0.37 2.97 0.20 0.72 -0.49 118.68 124.35 2j4l s LEU 5 Ca 0.07 -1.17 -0.16 0.00 0.69 0.00 0.00 54.13 53.55 2j4l s LEU 5 Cb -0.12 -1.55 0.00 0.00 -0.43 0.00 0.00 46.19 44.10 2j4l s LEU 5 CO 0.02 -0.14 0.42 -0.75 -0.29 0.00 0.00 176.35 175.61 2j4l s LYS 6 N 1.17 3.39 -0.36 1.98 2.36 0.96 -1.25 119.74 127.99 2j4l s LYS 6 Ca -0.05 -0.51 -0.18 0.00 -2.55 0.00 0.00 55.97 52.68 2j4l s LYS 6 Cb -0.18 -3.87 -0.00 0.00 -1.05 0.00 0.00 37.83 32.73 2j4l s LYS 6 CO -0.07 -0.67 0.53 0.42 1.55 0.00 0.00 175.35 177.11 2j4l s ILE 7 N 2.13 5.00 0.73 5.43 -1.09 0.02 -0.58 121.20 132.83 2j4l s ILE 7 Ca 0.13 0.34 -0.16 0.00 -2.23 0.00 0.00 60.65 58.73 2j4l s ILE 7 Cb -0.17 -3.99 0.01 0.00 -1.58 0.00 0.00 42.46 36.74 2j4l s ILE 7 CO 0.13 -0.25 0.97 -0.24 -1.23 0.00 0.00 174.94 174.32 2j4l n SER 8 N 5.79 0.47 -0.02 3.58 2.88 -0.12 -2.40 113.62 123.81 2j4l n SER 8 Ca -0.04 0.66 -0.01 0.00 -1.33 0.00 0.00 58.87 58.14 2j4l n SER 8 Cb 0.49 -1.41 0.26 0.00 -0.75 0.00 0.00 64.21 62.79 2j4l n SER 8 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2j4l h GLY 9 N -0.32 0.61 0.43 0.46 0.00 -1.91 -2.68 103.07 99.67 2j4l h GLY 9 Ca -0.47 -0.39 0.21 0.00 0.00 0.00 0.00 47.33 46.68 2j4l h GLY 9 CO 0.47 0.36 0.56 0.50 0.00 0.00 0.00 176.54 178.43 2j4l h LYS 10 N 0.54 0.17 -1.04 4.80 1.57 -1.93 -0.25 116.57 120.42 2j4l h LYS 10 Ca 0.11 -0.01 0.28 0.00 -1.87 0.00 0.00 60.65 59.15 2j4l h LYS 10 Cb 0.41 -0.04 -0.08 0.00 0.08 0.00 0.00 32.23 32.60 2j4l h LYS 10 CO 0.02 0.11 0.70 0.35 -0.57 0.00 0.00 179.45 180.06 2j4l h PHE 11 N 0.17 0.44 0.00 -1.35 3.57 -1.83 0.02 116.94 117.96 2j4l h PHE 11 Ca 0.40 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.92 2j4l h PHE 11 Cb 1.31 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.92 2j4l h PHE 11 CO -0.00 0.05 -1.24 1.19 -2.23 0.00 0.00 178.31 176.08 2j4l n PHE 12 N -4.49 0.39 0.17 0.41 3.01 -0.11 -4.16 117.46 112.67 2j4l n PHE 12 Ca 0.24 0.11 0.03 0.00 1.01 0.00 0.00 57.45 58.85 2j4l n PHE 12 Cb 0.95 -0.58 0.24 0.00 -0.01 0.00 0.00 39.48 40.07 2j4l n PHE 12 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 2j4l h ASP 13 N 0.00 0.00 0.00 4.37 3.32 -0.96 -3.50 116.42 119.65 2j4l h ASP 13 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2j4l h ASP 13 Cb 0.86 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.41 2j4l h ASP 13 CO 0.00 0.47 0.00 -0.62 -1.72 0.00 0.00 179.24 177.37 2j4l n GLU 14 N -3.51 0.00 -1.62 3.56 1.02 -1.10 -5.08 120.64 113.90 2j4l n GLU 14 Ca -0.00 0.36 -0.00 0.00 -0.02 0.00 0.00 57.16 57.49 2j4l n GLU 14 Cb 0.58 -1.21 -0.00 0.00 -0.02 0.00 0.00 31.44 30.80 2j4l n GLU 14 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2j4l n PHE 35 N -1.57 -2.12 -3.83 -0.32 3.01 -1.22 -5.18 117.46 106.23 2j4l n PHE 35 Ca 0.00 1.26 -0.34 0.00 1.01 0.00 0.00 57.45 59.38 2j4l n PHE 35 Cb 0.00 -2.80 -0.05 0.00 -0.01 0.00 0.00 39.48 36.62 2j4l n PHE 35 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2j4l s ARG 36 N -1.37 3.51 -0.08 -1.08 0.52 -0.38 -4.99 118.95 115.08 2j4l s ARG 36 Ca -0.01 -0.18 0.04 0.00 -0.52 0.00 0.00 55.73 55.07 2j4l s ARG 36 Cb 0.00 -3.10 0.00 0.00 0.52 0.00 0.00 34.95 32.37 2j4l s ARG 36 CO 0.02 0.67 -0.21 0.08 0.02 0.00 0.00 175.30 175.89 2j4l s VAL 37 N -1.28 1.78 -0.08 3.52 1.01 -1.26 -1.36 120.40 122.73 2j4l s VAL 37 Ca 0.26 -0.87 -0.00 0.00 0.00 0.00 0.00 61.98 61.36 2j4l s VAL 37 Cb -0.13 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 2j4l s VAL 37 CO 0.16 0.50 -0.04 -0.83 0.00 0.00 0.00 175.10 174.88 2j4l s GLY 38 N 0.34 1.74 -0.05 4.51 0.00 -0.34 -3.37 107.32 110.15 2j4l s GLY 38 Ca -0.15 -0.86 0.05 0.00 0.00 0.00 0.00 44.72 43.76 2j4l s GLY 38 CO 0.07 -0.57 -0.20 -0.42 0.00 0.00 0.00 173.10 171.98 2j4l s ILE 39 N -0.70 1.63 -0.13 0.90 1.01 -0.11 -0.20 121.20 123.59 2j4l s ILE 39 Ca 0.11 -0.83 0.03 0.00 0.00 0.00 0.00 60.65 59.95 2j4l s ILE 39 Cb -0.11 -1.39 0.01 0.00 0.01 0.00 0.00 42.46 40.98 2j4l s ILE 39 CO 0.02 0.46 -0.21 -0.69 0.00 0.00 0.00 174.94 174.52 2j4l s VAL 40 N -0.05 1.99 -0.07 2.92 1.01 -0.38 0.63 120.40 126.45 2j4l s VAL 40 Ca -0.03 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.02 2j4l s VAL 40 Cb -0.12 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 2j4l s VAL 40 CO 0.02 0.54 -0.10 0.42 0.00 0.00 0.00 175.10 175.98 2j4l s THR 41 N 0.77 3.41 0.65 3.92 -4.23 0.27 -0.80 115.64 119.62 2j4l s THR 41 Ca -0.09 -0.59 -0.02 0.00 -1.18 0.00 0.00 61.69 59.81 2j4l s THR 41 Cb -0.16 -2.37 0.06 0.00 1.34 0.00 0.00 72.50 71.37 2j4l s THR 41 CO -0.00 0.59 0.91 -0.83 -0.54 0.00 0.00 174.62 174.75 2j4l s GLY 42 N -0.69 1.76 0.36 3.99 0.00 -1.01 -4.49 107.32 107.25 2j4l s GLY 42 Ca 0.10 -1.23 0.18 0.00 0.00 0.00 0.00 44.72 43.77 2j4l s GLY 42 CO 0.01 -0.85 1.70 -1.33 0.00 0.00 0.00 173.10 172.64 2j4l h GLY 43 N -0.32 0.00 0.00 0.20 0.00 -1.85 -3.41 103.07 97.69 2j4l h GLY 43 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.91 2j4l h GLY 43 CO 0.53 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.68 2j4l n GLY 44 N 0.34 1.00 0.20 4.60 0.00 -1.26 -1.94 105.19 108.13 2j4l n GLY 44 Ca -0.00 -0.68 -0.01 0.00 0.00 0.00 0.00 46.02 45.33 2j4l n GLY 44 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2j4l h SER 45 N 5.61 0.20 -0.18 1.61 4.64 -1.95 -2.30 113.55 121.19 2j4l h SER 45 Ca 0.00 -0.08 0.03 0.00 -0.47 0.00 0.00 61.79 61.27 2j4l h SER 45 Cb 0.00 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 62.01 2j4l h SER 45 CO 0.00 0.58 0.00 0.74 -0.87 0.00 0.00 176.83 177.28 2j4l h THR 46 N 0.16 0.88 -0.07 2.95 2.02 -1.96 0.98 112.91 117.88 2j4l h THR 46 Ca 0.02 -0.02 0.04 0.00 0.77 0.00 0.00 66.41 67.21 2j4l h THR 46 Cb 0.77 0.81 -0.05 0.00 -1.74 0.00 0.00 68.15 67.95 2j4l h THR 46 CO 0.06 0.01 -0.20 0.00 0.37 0.00 0.00 175.52 175.76 2j4l h ALA 47 N 1.15 -0.20 0.00 6.16 0.00 -1.01 -1.35 119.26 124.00 2j4l h ALA 47 Ca 0.08 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 2j4l h ALA 47 Cb 0.10 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2j4l h ALA 47 CO -0.14 -0.68 -0.45 0.00 0.00 0.00 0.00 179.25 177.99 2j4l h ARG 48 N -0.29 0.00 -0.32 0.00 3.08 -0.88 0.45 114.38 116.41 2j4l h ARG 48 Ca 0.08 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 2j4l h ARG 48 Cb 0.40 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 2j4l h ARG 48 CO -0.24 0.45 0.11 -0.09 -1.07 0.00 0.00 179.97 179.13 2j4l h ARG 49 N 0.00 0.50 -0.21 0.04 2.43 0.15 -1.81 114.38 115.47 2j4l h ARG 49 Ca -0.00 -0.10 -0.17 0.00 -0.81 0.00 0.00 59.98 58.90 2j4l h ARG 49 Cb 0.82 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.29 2j4l h ARG 49 CO 0.06 0.52 -0.55 1.88 -1.51 0.00 0.00 179.97 180.37 2j4l h TYR 50 N 0.37 0.80 -0.53 2.20 -1.99 -1.01 -2.71 116.97 114.11 2j4l h TYR 50 Ca 0.11 -0.29 -0.02 0.00 2.00 0.00 0.00 58.73 60.53 2j4l h TYR 50 Cb 0.22 -0.15 -0.03 0.00 2.00 0.00 0.00 36.73 38.78 2j4l h TYR 50 CO 0.00 1.04 0.25 0.82 -0.00 0.00 0.00 178.16 180.28 2j4l h ILE 51 N 0.49 1.18 0.15 -2.88 2.04 -0.72 0.35 117.51 118.11 2j4l h ILE 51 Ca 0.01 -0.51 -0.30 0.00 1.00 0.00 0.00 64.86 65.06 2j4l h ILE 51 Cb 1.11 0.51 0.03 0.00 -0.74 0.00 0.00 36.82 37.73 2j4l h ILE 51 CO 0.11 0.21 -1.29 0.11 0.00 0.00 0.00 178.15 177.29 2j4l h LYS 52 N 0.74 0.58 -0.33 2.37 1.57 -1.32 -2.04 116.57 118.13 2j4l h LYS 52 Ca 0.18 -0.82 -0.02 0.00 -1.87 0.00 0.00 60.65 58.13 2j4l h LYS 52 Cb 0.08 0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 2j4l h LYS 52 CO -0.02 1.37 0.13 1.25 -0.57 0.00 0.00 179.45 181.61 2j4l h LEU 53 N 0.24 0.46 -0.26 2.94 5.85 -1.14 -0.77 115.31 122.63 2j4l h LEU 53 Ca -0.20 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.35 2j4l h LEU 53 Cb 1.96 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.86 2j4l h LEU 53 CO 0.24 0.50 0.13 0.00 -0.34 0.00 0.00 178.44 178.98 2j4l h ALA 54 N 0.98 0.34 -0.86 1.25 0.00 -0.36 -2.80 119.26 117.80 2j4l h ALA 54 Ca 0.11 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2j4l h ALA 54 Cb 0.19 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2j4l h ALA 54 CO -0.01 -0.11 0.52 -0.09 0.00 0.00 0.00 179.25 179.56 2j4l h ARG 55 N 0.30 1.16 -0.98 0.00 2.43 -1.23 -2.33 114.38 113.73 2j4l h ARG 55 Ca 0.09 -0.10 0.19 0.00 -0.81 0.00 0.00 59.98 59.35 2j4l h ARG 55 Cb 0.10 -0.25 -0.09 0.00 -0.42 0.00 0.00 29.97 29.31 2j4l h ARG 55 CO -0.01 0.80 0.61 1.49 -1.51 0.00 0.00 179.97 181.35 2j4l h GLU 56 N 1.18 0.66 -0.65 0.20 4.81 -0.86 0.15 114.58 120.07 2j4l h GLU 56 Ca 0.31 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 2j4l h GLU 56 Cb -0.06 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.17 2j4l h GLU 56 CO -0.06 0.44 0.00 0.44 -0.73 0.00 0.00 179.01 179.10 2j4l n ILE 57 N -4.67 1.85 -1.57 2.32 -5.35 -0.93 -4.94 119.36 106.07 2j4l n ILE 57 Ca 0.22 -1.04 -0.03 0.00 -0.27 0.00 0.00 62.75 61.63 2j4l n ILE 57 Cb 0.59 -0.14 -0.01 0.00 -1.74 0.00 0.00 39.64 38.35 2j4l n ILE 57 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2j4l n GLY 58 N 0.75 0.43 3.74 3.28 0.00 0.52 -5.02 105.19 108.88 2j4l n GLY 58 Ca 0.22 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 2j4l n GLY 58 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2j4l s ILE 59 N -2.13 2.79 0.95 -0.61 -1.09 -0.92 -4.96 121.20 115.22 2j4l s ILE 59 Ca 0.00 0.66 -0.11 0.00 -2.23 0.00 0.00 60.65 58.96 2j4l s ILE 59 Cb 0.00 -3.42 0.11 0.00 -1.58 0.00 0.00 42.46 37.57 2j4l s ILE 59 CO 0.00 0.10 0.80 0.61 -1.23 0.00 0.00 174.94 175.23 2j4l n GLY 60 N 2.23 -1.19 0.37 6.18 0.00 -1.26 -4.66 105.19 106.86 2j4l n GLY 60 Ca 0.07 -0.76 -0.00 0.00 0.00 0.00 0.00 46.02 45.33 2j4l n GLY 60 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2j4l h GLU 61 N -1.81 1.19 -0.64 1.61 4.57 -1.99 -1.28 114.58 116.22 2j4l h GLU 61 Ca -0.44 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 57.66 2j4l h GLU 61 Cb 1.28 -0.27 -0.03 0.00 -0.16 0.00 0.00 28.75 29.57 2j4l h GLU 61 CO 0.39 0.79 0.39 0.00 -1.18 0.00 0.00 179.01 179.39 2j4l h ALA 62 N 1.43 0.82 0.00 2.92 0.00 -2.00 -1.98 119.26 120.45 2j4l h ALA 62 Ca 0.36 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 55.06 2j4l h ALA 62 Cb -0.07 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 2j4l h ALA 62 CO -0.09 0.29 -0.66 1.88 0.00 0.00 0.00 179.25 180.67 2j4l h TYR 63 N 0.87 0.00 -0.39 0.00 0.05 -1.79 -1.92 116.97 113.79 2j4l h TYR 63 Ca 0.23 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.98 2j4l h TYR 63 Cb -0.03 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.69 2j4l h TYR 63 CO -0.02 0.66 0.12 -0.07 -1.05 0.00 0.00 178.16 177.79 2j4l h LEU 64 N 0.00 0.57 -0.49 3.88 3.38 -0.99 -1.00 115.31 120.66 2j4l h LEU 64 Ca -0.01 -0.21 0.06 0.00 0.09 0.00 0.00 57.88 57.81 2j4l h LEU 64 Cb 1.17 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.72 2j4l h LEU 64 CO 0.09 0.63 0.20 0.44 0.09 0.00 0.00 178.44 179.89 2j4l h ASP 65 N 0.49 0.23 -0.70 -0.43 3.32 -1.04 -1.37 116.42 116.93 2j4l h ASP 65 Ca 0.13 0.05 0.05 0.00 0.02 0.00 0.00 57.03 57.27 2j4l h ASP 65 Cb 0.27 0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.78 2j4l h ASP 65 CO -0.00 0.16 0.41 -0.07 -1.72 0.00 0.00 179.24 178.02 2j4l h LEU 66 N 0.39 0.64 -1.09 1.55 4.07 -0.85 0.71 115.31 120.74 2j4l h LEU 66 Ca 0.23 0.02 0.04 0.00 0.08 0.00 0.00 57.88 58.25 2j4l h LEU 66 Cb 0.22 -0.11 -0.06 0.00 1.08 0.00 0.00 40.66 41.78 2j4l h LEU 66 CO -0.21 0.43 0.62 -0.07 -1.08 0.00 0.00 178.44 178.12 2j4l h LEU 67 N 0.78 1.01 -0.52 1.67 3.38 -0.35 0.26 115.31 121.53 2j4l h LEU 67 Ca 0.30 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.18 2j4l h LEU 67 Cb 0.12 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2j4l h LEU 67 CO -0.15 0.68 0.00 1.23 0.09 0.00 0.00 178.44 180.29 2j4l h GLY 68 N 1.16 0.99 0.97 0.83 0.00 -0.15 -1.19 103.07 105.68 2j4l h GLY 68 Ca 0.38 -0.73 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 2j4l h GLY 68 CO -0.13 0.67 0.21 -2.22 0.00 0.00 0.00 176.54 175.08 2j4l h ILE 69 N 0.79 1.15 -0.71 2.60 2.04 0.38 0.47 117.51 124.24 2j4l h ILE 69 Ca 0.15 -0.40 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 2j4l h ILE 69 Cb 0.52 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 2j4l h ILE 69 CO 0.03 0.16 0.35 -0.50 0.00 0.00 0.00 178.15 178.19 2j4l h TRP 70 N 0.51 1.01 -0.57 1.37 4.06 -0.34 0.92 115.95 122.90 2j4l h TRP 70 Ca 0.14 -0.04 -0.00 0.00 2.06 0.00 0.00 58.89 61.04 2j4l h TRP 70 Cb 0.07 -0.31 -0.03 0.00 -1.00 0.00 0.00 29.16 27.88 2j4l h TRP 70 CO -0.02 0.74 0.35 0.00 -3.56 0.00 0.00 178.44 175.94 2j4l h ALA 71 N 1.17 0.73 -0.49 1.49 0.00 -0.92 0.52 119.26 121.76 2j4l h ALA 71 Ca 0.24 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2j4l h ALA 71 Cb 0.10 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2j4l h ALA 71 CO -0.03 0.21 0.21 0.66 0.00 0.00 0.00 179.25 180.30 2j4l h SER 72 N 0.77 0.62 -0.09 0.00 4.64 -0.16 -1.99 113.55 117.35 2j4l h SER 72 Ca 0.21 -0.06 -0.13 0.00 -0.47 0.00 0.00 61.79 61.33 2j4l h SER 72 Cb -0.02 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 61.90 2j4l h SER 72 CO -0.04 0.55 -0.37 0.03 -0.87 0.00 0.00 176.83 176.13 2j4l h ARG 73 N 0.69 0.61 -0.93 4.77 3.08 0.11 -1.28 114.38 121.42 2j4l h ARG 73 Ca 0.17 -0.30 0.05 0.00 0.07 0.00 0.00 59.98 59.98 2j4l h ARG 73 Cb 0.11 -0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.10 2j4l h ARG 73 CO -0.02 0.89 0.59 1.25 -1.07 0.00 0.00 179.97 181.61 2j4l h LEU 74 N 0.51 0.96 -0.77 3.04 5.85 -0.19 0.21 115.31 124.91 2j4l h LEU 74 Ca 0.05 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.67 2j4l h LEU 74 Cb 0.88 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 2j4l h LEU 74 CO 0.08 0.63 -0.21 0.78 -0.34 0.00 0.00 178.44 179.38 2j4l h ASN 75 N 1.11 0.70 -0.54 1.25 -0.26 -1.10 -2.19 115.58 114.54 2j4l h ASN 75 Ca 0.39 -0.24 0.02 0.00 -0.56 0.00 0.00 56.30 55.91 2j4l h ASN 75 Cb 0.10 -0.19 -0.03 0.00 -1.06 0.00 0.00 38.32 37.14 2j4l h ASN 75 CO -0.15 0.91 0.34 0.00 -1.06 0.00 0.00 177.43 177.46 2j4l h ALA 76 N 1.15 0.70 -0.37 -0.83 0.00 0.27 -0.53 119.26 119.65 2j4l h ALA 76 Ca 0.09 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2j4l h ALA 76 Cb 0.69 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2j4l h ALA 76 CO 0.05 0.06 0.13 1.88 0.00 0.00 0.00 179.25 181.38 2j4l h TYR 77 N 0.67 0.58 -0.35 0.00 0.05 -0.44 0.54 116.97 118.02 2j4l h TYR 77 Ca 0.21 -0.05 0.06 0.00 0.05 0.00 0.00 58.73 59.00 2j4l h TYR 77 Cb -0.00 -0.17 -0.05 0.00 1.01 0.00 0.00 36.73 37.51 2j4l h TYR 77 CO -0.06 0.54 0.01 1.25 -1.05 0.00 0.00 178.16 178.86 2j4l h LEU 78 N 0.45 -0.12 -0.21 3.88 5.85 -0.83 0.31 115.31 124.63 2j4l h LEU 78 Ca 0.12 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 2j4l h LEU 78 Cb 0.22 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 2j4l h LEU 78 CO -0.01 -0.02 0.08 0.58 -0.34 0.00 0.00 178.44 178.73 2j4l h VAL 79 N 0.11 1.17 0.09 1.05 2.07 -0.90 -2.78 116.25 117.06 2j4l h VAL 79 Ca 0.17 -0.52 0.02 0.00 0.82 0.00 0.00 66.70 67.19 2j4l h VAL 79 Cb 0.23 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 2j4l h VAL 79 CO -0.27 0.17 -0.29 -0.03 0.02 0.00 0.00 177.57 177.16 2j4l h MET 80 N 0.18 -0.48 -0.57 1.57 1.85 -0.24 -2.38 114.93 114.87 2j4l h MET 80 Ca 0.07 0.03 0.14 0.00 -0.61 0.00 0.00 59.70 59.33 2j4l h MET 80 Cb 0.19 0.11 -0.03 0.00 0.43 0.00 0.00 31.60 32.30 2j4l h MET 80 CO -0.00 -0.32 0.40 0.74 -0.40 0.00 0.00 176.91 177.33 2j4l h PHE 81 N -0.49 0.16 0.00 1.39 0.05 -0.38 -1.17 116.94 116.49 2j4l h PHE 81 Ca 0.04 0.00 -0.16 0.00 3.82 0.00 0.00 57.97 61.67 2j4l h PHE 81 Cb 0.54 -0.05 -0.02 0.00 2.00 0.00 0.00 35.95 38.42 2j4l h PHE 81 CO -0.28 0.06 -0.76 0.66 -0.18 0.00 0.00 178.31 177.82 2j4l h SER 82 N 0.14 0.00 0.41 2.17 4.64 -1.15 -3.09 113.55 116.66 2j4l h SER 82 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 2j4l h SER 82 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 2j4l h SER 82 CO -0.04 0.76 -0.26 0.18 -0.87 0.00 0.00 176.83 176.60 2j4l n LEU 83 N -3.38 0.64 0.00 5.97 4.77 -0.51 -4.99 117.00 119.50 2j4l n LEU 83 Ca 0.00 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 2j4l n LEU 83 Cb 0.81 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 2j4l n LEU 83 CO 0.44 0.13 0.00 0.00 -1.33 0.00 0.00 177.39 176.62 2j4l n GLN 84 N -1.04 0.00 -0.80 3.23 10.64 -0.79 -2.06 117.38 126.56 2j4l n GLN 84 Ca 0.11 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.28 2j4l n GLN 84 Cb 0.32 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.70 2j4l n GLN 84 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2j4l n ASP 85 N 0.00 -1.38 0.00 2.61 8.00 -1.26 -4.75 116.55 119.78 2j4l n ASP 85 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2j4l n ASP 85 Cb 0.00 -0.23 0.00 0.00 -0.02 0.00 0.00 41.12 40.87 2j4l n ASP 85 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2j4l n LEU 86 N 0.00 0.00 -4.68 0.64 4.77 -0.88 -5.07 117.00 111.79 2j4l n LEU 86 Ca 0.00 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.67 2j4l n LEU 86 Cb 0.00 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 2j4l n LEU 86 CO 0.00 0.00 -0.33 0.00 -1.33 0.00 0.00 177.39 175.73 2j4l s ALA 87 N -1.56 3.28 -0.05 -1.18 0.00 -1.26 -0.98 121.76 120.02 2j4l s ALA 87 Ca 0.00 -1.04 -0.30 0.00 0.00 0.00 0.00 51.96 50.62 2j4l s ALA 87 Cb 0.00 -1.26 -0.04 0.00 0.00 0.00 0.00 23.12 21.83 2j4l s ALA 87 CO 0.00 0.67 1.29 -0.47 0.00 0.00 0.00 175.76 177.26 2j4l s TYR 88 N -1.20 3.00 -0.56 0.00 5.04 0.40 -4.83 117.35 119.21 2j4l s TYR 88 Ca 0.23 1.02 -0.05 0.00 -2.44 0.00 0.00 57.07 55.83 2j4l s TYR 88 Cb -0.12 -3.53 -0.09 0.00 0.35 0.00 0.00 41.96 38.57 2j4l s TYR 88 CO 0.14 -1.83 2.19 -1.33 -1.34 0.00 0.00 175.55 173.39 2j4l n MET 89 N 5.45 1.73 -3.67 4.97 2.81 -1.26 -4.74 117.12 122.41 2j4l n MET 89 Ca 0.12 -1.11 -0.12 0.00 -1.81 0.00 0.00 57.70 54.78 2j4l n MET 89 Cb 0.45 -2.19 -0.08 0.00 -0.71 0.00 0.00 33.22 30.69 2j4l n MET 89 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 2j4l s HIS 90 N 2.77 -0.71 -0.53 2.03 5.04 -1.26 -5.11 115.29 117.52 2j4l s HIS 90 Ca 0.39 1.63 -0.14 0.00 -1.54 0.00 0.00 55.06 55.41 2j4l s HIS 90 Cb 0.14 0.29 0.13 0.00 0.04 0.00 0.00 32.58 33.18 2j4l s HIS 90 CO -0.02 -0.35 0.46 0.08 -2.34 0.00 0.00 174.74 172.57 2j4l s VAL 91 N 0.64 4.89 0.38 0.89 1.01 -1.26 -4.60 120.40 122.34 2j4l s VAL 91 Ca -0.03 -1.65 -0.26 0.00 0.00 0.00 0.00 61.98 60.05 2j4l s VAL 91 Cb -0.05 -4.15 -0.12 0.00 0.00 0.00 0.00 36.38 32.06 2j4l s VAL 91 CO -0.04 -0.85 1.09 -0.81 0.00 0.00 0.00 175.10 174.49 2j4l n PRO 92 N 5.07 1.56 -0.15 2.72 -0.04 -1.26 -4.91 135.00 137.99 2j4l n PRO 92 Ca -0.11 0.55 0.05 0.00 -0.04 0.00 0.00 63.50 63.96 2j4l n PRO 92 Cb 0.40 -2.09 0.14 0.00 -0.04 0.00 0.00 33.50 31.92 2j4l n PRO 92 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2j4l n GLN 93 N 0.34 2.67 -3.52 0.54 6.02 -1.26 -4.48 117.38 117.69 2j4l n GLN 93 Ca 0.08 -1.95 -0.11 0.00 -0.01 0.00 0.00 57.00 55.01 2j4l n GLN 93 Cb 0.37 -1.25 -0.03 0.00 1.02 0.00 0.00 30.24 30.35 2j4l n GLN 93 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2j4l s SER 94 N -0.99 -0.46 0.19 1.08 1.04 -1.26 -4.48 113.70 108.81 2j4l s SER 94 Ca 0.21 -0.15 -0.11 0.00 0.48 0.00 0.00 55.95 56.39 2j4l s SER 94 Cb 0.11 0.59 0.11 0.00 0.10 0.00 0.00 66.02 66.93 2j4l s SER 94 CO 0.15 -0.99 1.81 0.25 0.98 0.00 0.00 173.24 175.44 2j4l h LEU 95 N 2.08 0.83 -0.73 2.42 5.85 -1.95 -0.81 115.31 122.99 2j4l h LEU 95 Ca -0.32 -0.09 0.09 0.00 0.84 0.00 0.00 57.88 58.39 2j4l h LEU 95 Cb 1.29 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 42.04 2j4l h LEU 95 CO 0.38 0.69 0.38 -0.33 -0.34 0.00 0.00 178.44 179.22 2j4l h GLU 96 N 0.91 0.63 -0.61 1.25 5.08 -2.00 -0.33 114.58 119.52 2j4l h GLU 96 Ca 0.23 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.46 2j4l h GLU 96 Cb 0.04 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 2j4l h GLU 96 CO -0.04 0.42 0.01 0.93 -1.00 0.00 0.00 179.01 179.33 2j4l h GLU 97 N 0.65 1.07 -0.20 2.33 5.08 -1.79 -2.81 114.58 118.92 2j4l h GLU 97 Ca 0.35 -0.33 0.03 0.00 -1.00 0.00 0.00 59.36 58.41 2j4l h GLU 97 Cb 0.34 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 2j4l h GLU 97 CO -0.25 1.04 0.02 0.35 -1.00 0.00 0.00 179.01 179.16 2j4l h PHE 98 N 0.98 0.03 -1.00 4.33 3.57 0.18 0.61 116.94 125.63 2j4l h PHE 98 Ca 0.17 0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.85 2j4l h PHE 98 Cb 0.55 0.02 -0.10 0.00 2.79 0.00 0.00 35.95 39.21 2j4l h PHE 98 CO 0.04 -0.00 0.62 0.82 -2.23 0.00 0.00 178.31 177.56 2j4l h ILE 99 N 0.09 0.80 0.15 1.41 2.04 -1.02 0.17 117.51 121.15 2j4l h ILE 99 Ca 0.09 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 2j4l h ILE 99 Cb 0.10 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.04 2j4l h ILE 99 CO -0.14 0.16 -0.07 -0.61 0.00 0.00 0.00 178.15 177.49 2j4l h GLN 100 N 0.87 -0.20 -0.13 2.37 4.15 -1.02 -3.15 115.11 118.00 2j4l h GLN 100 Ca 0.54 0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.98 2j4l h GLN 100 Cb 0.72 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.44 2j4l h GLN 100 CO -0.33 0.21 0.08 -0.44 -1.93 0.00 0.00 178.83 176.41 2j4l h ASP 101 N -0.67 0.15 0.48 -0.69 3.32 -0.38 -1.24 116.42 117.39 2j4l h ASP 101 Ca -0.02 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 2j4l h ASP 101 Cb 0.49 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 2j4l h ASP 101 CO 0.03 0.12 -0.17 -0.25 -1.72 0.00 0.00 179.24 177.25 2j4l h TRP 102 N 0.18 0.00 -0.13 4.55 2.91 -0.68 -2.85 115.95 119.92 2j4l h TRP 102 Ca 0.05 0.00 0.02 0.00 1.13 0.00 0.00 58.89 60.09 2j4l h TRP 102 Cb -0.00 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.64 2j4l h TRP 102 CO 0.00 0.17 0.09 0.77 -1.03 0.00 0.00 178.44 178.44 2j4l h SER 103 N 0.00 0.06 0.00 2.65 0.02 -1.18 -2.78 113.55 112.33 2j4l h SER 103 Ca -0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2j4l h SER 103 Cb 0.45 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.98 2j4l h SER 103 CO 0.02 0.05 0.00 1.41 -1.14 0.00 0.00 176.83 177.17 2j4l n HIS 104 N -4.51 0.00 -1.01 3.45 8.25 -1.07 -4.90 115.22 115.43 2j4l n HIS 104 Ca -0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.45 2j4l n HIS 104 Cb 0.16 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.27 2j4l n HIS 104 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2j4l n GLY 105 N 0.09 0.22 3.58 -1.41 0.00 -1.05 -5.01 105.19 101.62 2j4l n GLY 105 Ca 0.12 -0.01 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 2j4l n GLY 105 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2j4l n LYS 106 N -0.58 0.74 -2.35 1.61 5.02 -1.26 -5.06 118.16 116.28 2j4l n LYS 106 Ca -0.00 -3.31 -0.39 0.00 -2.02 0.00 0.00 58.31 52.59 2j4l n LYS 106 Cb 0.31 0.46 -0.03 0.00 -0.02 0.00 0.00 35.03 35.75 2j4l n LYS 106 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2j4l s VAL 107 N -2.62 3.25 -0.13 -0.18 1.01 -0.15 -4.70 120.40 116.88 2j4l s VAL 107 Ca 0.24 1.11 0.01 0.00 0.00 0.00 0.00 61.98 63.35 2j4l s VAL 107 Cb -0.02 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.73 2j4l s VAL 107 CO 0.15 0.16 -0.16 -0.69 0.00 0.00 0.00 175.10 174.56 2j4l s VAL 108 N -1.35 1.65 -0.16 2.92 1.01 -1.22 -0.45 120.40 122.80 2j4l s VAL 108 Ca 0.53 -0.71 -0.08 0.00 0.00 0.00 0.00 61.98 61.72 2j4l s VAL 108 Cb -0.31 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 2j4l s VAL 108 CO 0.39 0.47 0.10 -0.69 0.00 0.00 0.00 175.10 175.38 2j4l s VAL 109 N 1.16 5.15 0.16 2.92 1.01 -1.26 -0.94 120.40 128.60 2j4l s VAL 109 Ca -0.02 0.09 0.06 0.00 0.00 0.00 0.00 61.98 62.11 2j4l s VAL 109 Cb -0.14 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 2j4l s VAL 109 CO -0.06 0.51 -0.12 -0.89 0.00 0.00 0.00 175.10 174.54 2j4l s THR 110 N -0.11 1.40 0.00 3.92 2.01 0.20 -4.25 115.64 118.82 2j4l s THR 110 Ca 0.09 -2.05 0.00 0.00 0.31 0.00 0.00 61.69 60.04 2j4l s THR 110 Cb -0.12 -1.85 0.00 0.00 0.01 0.00 0.00 72.50 70.54 2j4l s THR 110 CO 0.01 -0.63 0.00 0.61 -0.69 0.00 0.00 174.62 173.91 2j4l n GLY 111 N -0.12 5.22 3.58 4.40 0.00 -1.26 -0.57 105.19 116.45 2j4l n GLY 111 Ca -0.10 -1.73 -0.29 0.00 0.00 0.00 0.00 46.02 43.90 2j4l n GLY 111 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2j4l s GLY 112 N 0.00 1.55 0.08 -0.02 0.00 -1.26 -4.87 107.32 102.80 2j4l s GLY 112 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 44.72 44.30 2j4l s GLY 112 CO 0.00 0.30 0.00 0.69 0.00 0.00 0.00 173.10 174.09 2j4l n PHE 113 N -4.59 -0.40 -3.93 1.90 3.72 -1.26 -4.69 117.46 108.20 2j4l n PHE 113 Ca 0.06 0.07 -0.10 0.00 -0.05 0.00 0.00 57.45 57.43 2j4l n PHE 113 Cb 0.57 0.18 -0.11 0.00 -0.94 0.00 0.00 39.48 39.17 2j4l n PHE 113 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 2j4l s GLN 114 N -2.00 0.32 0.94 -1.08 0.74 -1.26 -4.82 119.66 112.50 2j4l s GLN 114 Ca 0.00 -0.44 -0.10 0.00 0.05 0.00 0.00 55.36 54.86 2j4l s GLN 114 Cb 0.00 0.12 0.16 0.00 1.10 0.00 0.00 33.01 34.39 2j4l s GLN 114 CO 0.00 -0.06 1.12 -2.14 -0.55 0.00 0.00 175.29 173.66 2j4l s PRO 115 N -1.21 0.84 0.00 1.67 0.02 -1.26 -3.64 135.00 131.42 2j4l s PRO 115 Ca -0.13 1.41 0.00 0.00 0.02 0.00 0.00 61.00 62.30 2j4l s PRO 115 Cb -0.08 -1.72 0.00 0.00 0.02 0.00 0.00 34.50 32.73 2j4l s PRO 115 CO -0.00 -2.71 0.00 0.41 -0.33 0.00 0.00 177.00 174.37 2j4l n GLY 116 N 0.16 0.81 2.58 0.52 0.00 -1.26 -5.01 105.19 102.98 2j4l n GLY 116 Ca 0.10 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.98 2j4l n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2j4l n GLN 117 N -2.32 0.38 -4.54 1.61 10.64 -1.24 -4.99 117.38 116.92 2j4l n GLN 117 Ca 0.00 -2.54 -0.25 0.00 -1.83 0.00 0.00 57.00 52.37 2j4l n GLN 117 Cb 0.00 2.17 -0.10 0.00 -0.86 0.00 0.00 30.24 31.45 2j4l n GLN 117 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 2j4l s SER 118 N -2.82 3.02 0.64 2.61 1.04 -1.26 -5.00 113.70 111.92 2j4l s SER 118 Ca 0.30 -1.46 0.42 0.00 0.48 0.00 0.00 55.95 55.68 2j4l s SER 118 Cb 0.01 0.02 2.16 0.00 0.10 0.00 0.00 66.02 68.31 2j4l s SER 118 CO 0.21 -0.66 2.27 0.71 0.98 0.00 0.00 173.24 176.76 2j4l h THR 119 N 1.88 0.00 0.27 2.02 1.35 -1.94 -1.13 112.91 115.37 2j4l h THR 119 Ca -0.41 -0.14 -0.01 0.00 -0.55 0.00 0.00 66.41 65.30 2j4l h THR 119 Cb 1.26 1.14 -0.00 0.00 -1.73 0.00 0.00 68.15 68.81 2j4l h THR 119 CO 0.71 0.00 -0.16 0.00 -0.25 0.00 0.00 175.52 175.82 2j4l h ALA 120 N 2.00 -0.40 -0.58 6.62 0.00 -1.93 0.23 119.26 125.20 2j4l h ALA 120 Ca -0.00 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 54.93 2j4l h ALA 120 Cb 0.14 0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.03 2j4l h ALA 120 CO 0.00 -0.73 0.14 0.00 0.00 0.00 0.00 179.25 178.66 2j4l h ALA 121 N 0.32 0.69 -0.23 0.00 0.00 -1.57 -0.07 119.26 118.39 2j4l h ALA 121 Ca -0.03 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.03 2j4l h ALA 121 Cb 0.33 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 2j4l h ALA 121 CO 0.04 -0.28 0.01 0.28 0.00 0.00 0.00 179.25 179.29 2j4l h VAL 122 N 0.28 0.85 -0.52 0.00 2.07 -1.09 0.58 116.25 118.42 2j4l h VAL 122 Ca 0.30 -0.03 0.08 0.00 0.82 0.00 0.00 66.70 67.87 2j4l h VAL 122 Cb 0.42 0.76 -0.07 0.00 -1.52 0.00 0.00 31.29 30.87 2j4l h VAL 122 CO -0.36 0.02 0.14 0.00 0.02 0.00 0.00 177.57 177.39 2j4l h ALA 123 N 1.19 0.61 0.53 1.67 0.00 0.86 0.38 119.26 124.50 2j4l h ALA 123 Ca 0.11 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 2j4l h ALA 123 Cb 0.13 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2j4l h ALA 123 CO -0.18 -0.26 -0.29 0.00 0.00 0.00 0.00 179.25 178.52 2j4l h ALA 124 N 1.38 -0.76 -0.10 0.00 0.00 -0.33 0.23 119.26 119.67 2j4l h ALA 124 Ca 0.26 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.05 2j4l h ALA 124 Cb 0.32 0.34 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 2j4l h ALA 124 CO -0.30 -0.94 -0.41 -0.07 0.00 0.00 0.00 179.25 177.54 2j4l h LEU 125 N -0.76 -1.27 -1.15 0.00 3.38 -0.31 0.19 115.31 115.41 2j4l h LEU 125 Ca -0.07 0.17 0.13 0.00 0.09 0.00 0.00 57.88 58.20 2j4l h LEU 125 Cb 0.61 0.51 -0.08 0.00 0.09 0.00 0.00 40.66 41.79 2j4l h LEU 125 CO 0.09 -0.43 0.60 0.58 0.09 0.00 0.00 178.44 179.37 2j4l h VAL 126 N -0.50 0.88 -0.10 1.22 2.07 -0.19 0.93 116.25 120.56 2j4l h VAL 126 Ca 0.07 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 2j4l h VAL 126 Cb 0.62 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.35 2j4l h VAL 126 CO -0.37 0.15 0.01 0.00 0.02 0.00 0.00 177.57 177.39 2j4l h ALA 127 N 1.57 0.13 0.04 1.67 0.00 0.13 -1.56 119.26 121.23 2j4l h ALA 127 Ca 0.47 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2j4l h ALA 127 Cb 0.61 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 2j4l h ALA 127 CO -0.24 -0.22 -0.04 1.49 0.00 0.00 0.00 179.25 180.25 2j4l h GLU 128 N -0.08 -0.08 -0.09 0.00 4.81 0.04 0.33 114.58 119.51 2j4l h GLU 128 Ca 0.03 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 2j4l h GLU 128 Cb 0.29 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 2j4l h GLU 128 CO 0.00 -0.05 -0.05 0.00 -0.73 0.00 0.00 179.01 178.17 2j4l h ALA 129 N 0.88 1.75 -0.25 2.92 0.00 -0.82 -1.97 119.26 121.76 2j4l h ALA 129 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2j4l h ALA 129 Cb 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2j4l h ALA 129 CO -0.01 0.19 0.00 -1.13 0.00 0.00 0.00 179.25 178.30 2j4l n SER 130 N -4.40 2.24 -3.20 0.00 3.41 -0.59 -4.94 113.62 106.15 2j4l n SER 130 Ca -0.02 -1.82 -0.23 0.00 -0.26 0.00 0.00 58.87 56.54 2j4l n SER 130 Cb 0.18 -0.16 0.05 0.00 -0.26 0.00 0.00 64.21 64.02 2j4l n SER 130 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2j4l n SER 131 N 0.70 -6.22 -4.72 4.04 7.64 -0.74 -4.80 113.62 109.52 2j4l n SER 131 Ca 0.17 -0.37 -0.39 0.00 1.01 0.00 0.00 58.87 59.28 2j4l n SER 131 Cb 0.41 -4.97 -0.05 0.00 -1.01 0.00 0.00 64.21 58.59 2j4l n SER 131 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2j4l s SER 132 N -2.92 6.95 0.15 6.43 0.01 0.03 -4.57 113.70 119.78 2j4l s SER 132 Ca 0.40 1.14 0.25 0.00 1.31 0.00 0.00 55.95 59.05 2j4l s SER 132 Cb -0.18 -2.40 0.44 0.00 0.21 0.00 0.00 66.02 64.10 2j4l s SER 132 CO 0.50 -0.09 1.42 0.11 0.41 0.00 0.00 173.24 175.58 2j4l h LYS 133 N 6.71 0.00 -4.71 12.44 1.57 -1.87 -3.42 116.57 127.28 2j4l h LYS 133 Ca -0.41 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 57.88 2j4l h LYS 133 Cb 1.19 0.00 -0.32 0.00 0.08 0.00 0.00 32.23 33.18 2j4l h LYS 133 CO 0.75 0.00 -0.81 0.99 -0.57 0.00 0.00 179.45 179.81 2j4l s THR 134 N -3.16 1.06 -0.25 -0.16 2.01 -1.26 -1.32 115.64 112.56 2j4l s THR 134 Ca 0.07 -0.48 0.00 0.00 0.31 0.00 0.00 61.69 61.60 2j4l s THR 134 Cb 0.13 -0.95 0.04 0.00 0.01 0.00 0.00 72.50 71.73 2j4l s THR 134 CO 0.69 0.33 -0.09 -0.22 -0.69 0.00 0.00 174.62 174.64 2j4l s LEU 135 N 0.38 3.23 -0.29 4.42 2.96 -0.21 -2.66 118.68 126.51 2j4l s LEU 135 Ca -0.08 -1.09 -0.15 0.00 -0.22 0.00 0.00 54.13 52.58 2j4l s LEU 135 Cb -0.12 -1.60 -0.03 0.00 0.50 0.00 0.00 46.19 44.93 2j4l s LEU 135 CO 0.02 -0.15 0.39 -0.69 -1.32 0.00 0.00 176.35 174.60 2j4l s VAL 136 N 1.23 5.16 -0.52 1.68 1.01 0.35 -0.97 120.40 128.34 2j4l s VAL 136 Ca -0.03 0.47 -0.14 0.00 0.00 0.00 0.00 61.98 62.28 2j4l s VAL 136 Cb -0.18 -3.75 0.13 0.00 0.00 0.00 0.00 36.38 32.58 2j4l s VAL 136 CO -0.05 0.08 0.44 -0.69 0.00 0.00 0.00 175.10 174.88 2j4l s VAL 137 N 2.10 4.86 -0.40 2.92 1.01 -0.03 -0.03 120.40 130.84 2j4l s VAL 137 Ca 0.15 -1.60 -0.21 0.00 0.00 0.00 0.00 61.98 60.32 2j4l s VAL 137 Cb -0.16 -4.14 0.01 0.00 0.00 0.00 0.00 36.38 32.10 2j4l s VAL 137 CO 0.11 -0.83 0.67 0.00 0.00 0.00 0.00 175.10 175.04 2j4l s ALA 138 N 1.52 3.39 0.00 5.51 0.00 0.25 -2.13 121.76 130.30 2j4l s ALA 138 Ca 0.04 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 51.03 2j4l s ALA 138 Cb -0.29 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.56 2j4l s ALA 138 CO 0.02 -1.58 0.00 -2.37 0.00 0.00 0.00 175.76 171.83 2j4l n THR 139 N 5.77 0.00 -2.63 0.00 5.66 -1.22 -0.94 114.28 120.92 2j4l n THR 139 Ca -0.00 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.60 2j4l n THR 139 Cb 0.48 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.28 2j4l n THR 139 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2j4l n ASN 140 N -0.57 7.02 -3.63 1.09 5.15 -1.26 -2.03 115.26 121.02 2j4l n ASN 140 Ca 0.00 -3.70 -0.04 0.00 -0.60 0.00 0.00 54.58 50.24 2j4l n ASN 140 Cb 0.00 -1.09 -0.05 0.00 -0.53 0.00 0.00 39.78 38.11 2j4l n ASN 140 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2j4l s VAL 141 N -4.41 0.00 -0.71 3.44 1.01 -1.26 -5.05 120.40 113.42 2j4l s VAL 141 Ca 0.41 0.00 0.22 0.00 0.00 0.00 0.00 61.98 62.61 2j4l s VAL 141 Cb 0.22 -1.00 0.22 0.00 0.00 0.00 0.00 36.38 35.81 2j4l s VAL 141 CO -0.15 0.00 1.67 0.47 0.00 0.00 0.00 175.10 177.09 2j4l n ASP 142 N 1.05 0.44 0.00 3.32 8.00 -1.26 -3.99 116.55 124.11 2j4l n ASP 142 Ca -0.06 0.59 0.00 0.00 0.71 0.00 0.00 54.79 56.03 2j4l n ASP 142 Cb 0.58 -0.69 0.00 0.00 -0.02 0.00 0.00 41.12 40.99 2j4l n ASP 142 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2j4l n GLY 143 N 0.31 -0.66 3.83 0.44 0.00 -1.26 -4.36 105.19 103.49 2j4l n GLY 143 Ca 0.03 -0.53 -0.38 0.00 0.00 0.00 0.00 46.02 45.14 2j4l n GLY 143 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2j4l s VAL 144 N -3.77 5.01 0.00 1.61 1.01 -1.26 -4.98 120.40 118.02 2j4l s VAL 144 Ca 0.00 0.87 0.00 0.00 0.00 0.00 0.00 61.98 62.85 2j4l s VAL 144 Cb 0.00 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.65 2j4l s VAL 144 CO 0.00 0.56 0.00 -1.22 0.00 0.00 0.00 175.10 174.44 2j4l n TYR 145 N 1.91 0.00 0.00 5.22 4.01 -1.26 0.52 117.16 127.56 2j4l n TYR 145 Ca -0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 2j4l n TYR 145 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.55 2j4l n TYR 145 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2j4l n GLU 146 N 0.00 2.92 -3.55 -0.72 1.02 -1.26 -4.63 120.64 114.42 2j4l n GLU 146 Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 2j4l n GLU 146 Cb 0.00 -0.55 -0.03 0.00 -0.02 0.00 0.00 31.44 30.84 2j4l n GLU 146 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2j4l s LYS 147 N -0.64 1.28 0.00 3.49 1.02 -1.26 -4.99 119.74 118.64 2j4l s LYS 147 Ca 0.00 -0.62 0.00 0.00 0.02 0.00 0.00 55.97 55.37 2j4l s LYS 147 Cb 0.00 0.55 0.00 0.00 -0.52 0.00 0.00 37.83 37.86 2j4l s LYS 147 CO 0.00 -0.55 0.00 -0.40 -0.92 0.00 0.00 175.35 173.48 2j4l n ASP 148 N -0.35 0.00 -4.54 2.83 5.75 -1.26 -4.94 116.55 114.04 2j4l n ASP 148 Ca -0.15 -0.26 -0.18 0.00 -0.01 0.00 0.00 54.79 54.19 2j4l n ASP 148 Cb 0.64 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.63 2j4l n ASP 148 CO 0.00 0.00 0.00 -2.65 -0.11 0.00 0.00 177.20 174.44 2j4l n PRO 149 N -0.26 0.46 0.00 0.11 -0.01 -1.26 -5.13 135.00 128.91 2j4l n PRO 149 Ca 0.00 -0.58 0.00 0.00 -0.01 0.00 0.00 63.50 62.91 2j4l n PRO 149 Cb 0.00 -3.04 0.00 0.00 -0.01 0.00 0.00 33.50 30.45 2j4l n PRO 149 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 175.50 175.77 2j4l n VAL 155 N 8.00 0.00 -4.02 -1.45 0.31 -1.26 -5.30 118.33 114.61 2j4l n VAL 155 Ca 0.51 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.61 2j4l n VAL 155 Cb 0.37 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.26 2j4l n VAL 155 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2j4l s LYS 156 N -4.79 3.22 -0.19 5.55 2.47 -1.26 -5.05 119.74 119.68 2j4l s LYS 156 Ca 0.00 -0.83 -0.23 0.00 -1.56 0.00 0.00 55.97 53.34 2j4l s LYS 156 Cb 0.00 -2.77 -0.02 0.00 -1.46 0.00 0.00 37.83 33.58 2j4l s LYS 156 CO 0.00 0.44 0.74 -1.17 0.16 0.00 0.00 175.35 175.53 2j4l s LEU 157 N -3.69 4.15 -0.68 5.43 0.20 -1.26 -4.27 118.68 118.55 2j4l s LEU 157 Ca 0.33 1.00 -0.27 0.00 0.69 0.00 0.00 54.13 55.88 2j4l s LEU 157 Cb -0.09 -3.07 0.02 0.00 -0.43 0.00 0.00 46.19 42.62 2j4l s LEU 157 CO 0.27 -0.36 1.35 -0.63 -0.29 0.00 0.00 176.35 176.69 2j4l s ILE 158 N 2.15 3.73 -0.96 6.68 -1.09 0.18 -4.86 121.20 127.03 2j4l s ILE 158 Ca 0.33 0.49 0.14 0.00 -2.23 0.00 0.00 60.65 59.38 2j4l s ILE 158 Cb -0.16 -4.72 0.12 0.00 -1.58 0.00 0.00 42.46 36.12 2j4l s ILE 158 CO 0.11 -1.59 1.44 -0.81 -1.23 0.00 0.00 174.94 172.86 2j4l n PRO 159 N 9.14 0.01 -3.27 2.79 -0.04 -1.26 -4.33 135.00 138.05 2j4l n PRO 159 Ca 0.07 0.29 0.03 0.00 -0.04 0.00 0.00 63.50 63.85 2j4l n PRO 159 Cb 0.49 -1.53 -0.03 0.00 -0.04 0.00 0.00 33.50 32.40 2j4l n PRO 159 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2j4l s HIS 160 N -3.03 -0.86 0.00 0.54 2.46 -1.26 -2.94 115.29 110.21 2j4l s HIS 160 Ca 0.06 1.13 0.00 0.00 0.47 0.00 0.00 55.06 56.72 2j4l s HIS 160 Cb 0.09 0.38 0.00 0.00 -0.13 0.00 0.00 32.58 32.92 2j4l s HIS 160 CO 0.25 -0.45 0.00 1.47 -2.47 0.00 0.00 174.74 173.54 2j4l n LEU 161 N 5.28 0.00 -4.24 8.88 -0.00 -0.97 -4.98 117.00 120.98 2j4l n LEU 161 Ca -0.07 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.81 2j4l n LEU 161 Cb 0.52 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.84 2j4l n LEU 161 CO -0.05 0.00 -0.30 0.42 -0.00 0.00 0.00 177.39 177.45 2j4l s THR 162 N -0.60 0.51 0.54 1.47 -4.23 -1.26 -1.33 115.64 110.74 2j4l s THR 162 Ca 0.00 -1.97 0.23 0.00 -1.18 0.00 0.00 61.69 58.76 2j4l s THR 162 Cb 0.00 -2.23 0.35 0.00 1.34 0.00 0.00 72.50 71.96 2j4l s THR 162 CO 0.00 -0.36 2.07 0.74 -0.54 0.00 0.00 174.62 176.53 2j4l h THR 163 N 2.66 0.79 0.03 3.99 2.02 -1.82 -0.17 112.91 120.42 2j4l h THR 163 Ca -0.37 0.00 -0.21 0.00 0.77 0.00 0.00 66.41 66.61 2j4l h THR 163 Cb 1.21 0.84 0.02 0.00 -1.74 0.00 0.00 68.15 68.49 2j4l h THR 163 CO 0.61 0.00 -0.83 1.56 0.37 0.00 0.00 175.52 177.23 2j4l h GLN 164 N 0.00 0.50 -0.28 6.66 4.20 -1.92 -1.62 115.11 122.65 2j4l h GLN 164 Ca 0.14 -0.59 -0.00 0.00 0.06 0.00 0.00 58.65 58.26 2j4l h GLN 164 Cb 0.58 0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.53 2j4l h GLN 164 CO -0.00 1.22 0.17 -0.44 -0.67 0.00 0.00 178.83 179.11 2j4l h ASP 165 N 0.04 0.34 -0.22 1.46 3.32 -1.66 -1.17 116.42 118.54 2j4l h ASP 165 Ca -0.11 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 2j4l h ASP 165 Cb 1.54 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.99 2j4l h ASP 165 CO 0.16 0.29 0.12 0.25 -1.72 0.00 0.00 179.24 178.34 2j4l h LEU 166 N 0.36 0.28 -1.26 1.55 5.85 -1.14 0.75 115.31 121.70 2j4l h LEU 166 Ca 0.10 -0.09 0.17 0.00 0.84 0.00 0.00 57.88 58.90 2j4l h LEU 166 Cb 0.01 -0.07 -0.08 0.00 0.37 0.00 0.00 40.66 40.89 2j4l h LEU 166 CO -0.02 0.29 0.60 -0.09 -0.34 0.00 0.00 178.44 178.88 2j4l h ARG 167 N 0.25 0.64 0.02 1.25 2.43 -1.00 0.12 114.38 118.08 2j4l h ARG 167 Ca 0.08 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.14 2j4l h ARG 167 Cb 0.08 -0.14 0.01 0.00 -0.42 0.00 0.00 29.97 29.49 2j4l h ARG 167 CO -0.01 0.42 -0.29 0.87 -1.51 0.00 0.00 179.97 179.45 2j4l h LYS 168 N 0.66 0.15 -0.27 0.20 1.57 -0.37 -3.10 116.57 115.41 2j4l h LYS 168 Ca 0.49 -0.20 0.08 0.00 -1.87 0.00 0.00 60.65 59.16 2j4l h LYS 168 Cb 0.88 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.24 2j4l h LYS 168 CO -0.25 0.99 0.43 0.82 -0.57 0.00 0.00 179.45 180.88 2j4l h ILE 169 N -0.59 0.23 -2.97 1.86 2.04 0.15 -3.39 117.51 114.83 2j4l h ILE 169 Ca -0.04 0.00 -0.46 0.00 1.00 0.00 0.00 64.86 65.36 2j4l h ILE 169 Cb 1.11 0.63 0.04 0.00 -0.74 0.00 0.00 36.82 37.85 2j4l h ILE 169 CO 0.06 0.00 -0.01 -0.76 0.00 0.00 0.00 178.15 177.43 2j4l s LEU 170 N -6.77 3.49 -0.18 1.44 1.43 0.30 -4.97 118.68 113.42 2j4l s LEU 170 Ca -0.04 0.37 -0.35 0.00 -1.03 0.00 0.00 54.13 53.08 2j4l s LEU 170 Cb 0.13 -3.23 0.14 0.00 0.03 0.00 0.00 46.19 43.26 2j4l s LEU 170 CO 0.44 -0.85 1.30 -1.83 0.23 0.00 0.00 176.35 175.64 2j4l s GLU 171 N -4.70 0.20 0.00 1.70 -1.05 -1.26 -4.92 118.70 108.67 2j4l s GLU 171 Ca 0.51 -0.09 0.00 0.00 -0.15 0.00 0.00 54.97 55.24 2j4l s GLU 171 Cb -0.10 0.08 0.00 0.00 -0.44 0.00 0.00 34.13 33.67 2j4l s GLU 171 CO 0.40 -0.09 0.00 0.41 0.95 0.00 0.00 175.26 176.93 2j4l n GLY 172 N -0.17 -2.14 0.00 -3.83 0.00 -1.26 -5.13 105.19 92.65 2j4l n GLY 172 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2j4l n GLY 172 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2j4l n SER 173 N 0.00 2.58 0.00 1.61 2.88 -1.26 -5.21 113.62 114.22 2j4l n SER 173 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2j4l n SER 173 Cb 0.00 0.37 0.00 0.00 -0.75 0.00 0.00 64.21 63.83 2j4l n SER 173 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2j4l n GLN 177 N -1.05 0.00 -1.49 -1.46 1.13 -1.26 -5.25 117.38 107.99 2j4l n GLN 177 Ca 0.00 0.00 -0.59 0.00 -1.94 0.00 0.00 57.00 54.47 2j4l n GLN 177 Cb 0.14 0.00 -0.08 0.00 0.11 0.00 0.00 30.24 30.41 2j4l n GLN 177 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2j4l n ALA 178 N 0.00 -2.95 0.00 -1.58 0.00 -1.26 -2.29 120.51 112.43 2j4l n ALA 178 Ca 0.00 0.55 0.00 0.00 0.00 0.00 0.00 53.44 53.99 2j4l n ALA 178 Cb 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 19.45 17.73 2j4l n ALA 178 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2j4l n GLY 179 N 2.04 3.06 3.14 0.00 0.00 -1.26 -5.02 105.19 107.15 2j4l n GLY 179 Ca 0.22 -0.85 -0.32 0.00 0.00 0.00 0.00 46.02 45.07 2j4l n GLY 179 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2j4l s THR 180 N 0.00 2.00 0.43 2.61 -4.23 -0.97 -4.95 115.64 110.53 2j4l s THR 180 Ca 0.00 -0.93 0.04 0.00 -1.18 0.00 0.00 61.69 59.62 2j4l s THR 180 Cb 0.00 -1.79 -0.02 0.00 1.34 0.00 0.00 72.50 72.03 2j4l s THR 180 CO 0.00 0.54 0.14 -0.31 -0.54 0.00 0.00 174.62 174.45 2j4l s TYR 181 N 1.04 1.78 0.46 3.99 1.51 -1.26 -4.58 117.35 120.29 2j4l s TYR 181 Ca -0.02 -1.34 0.04 0.00 -1.01 0.00 0.00 57.07 54.74 2j4l s TYR 181 Cb -0.14 -1.15 0.01 0.00 -0.11 0.00 0.00 41.96 40.57 2j4l s TYR 181 CO -0.07 -0.35 0.64 -1.83 -1.11 0.00 0.00 175.55 172.84 2j4l s GLU 182 N -3.66 2.80 0.00 -0.62 -1.05 -1.26 -5.01 118.70 109.91 2j4l s GLU 182 Ca 0.22 -0.93 -0.01 0.00 -0.15 0.00 0.00 54.97 54.10 2j4l s GLU 182 Cb 0.01 -2.64 -0.00 0.00 -0.44 0.00 0.00 34.13 31.06 2j4l s GLU 182 CO 0.15 -0.38 0.91 -0.11 0.95 0.00 0.00 175.26 176.78 2j4l n LEU 183 N -2.03 -0.02 -4.13 1.83 0.00 -1.26 -3.49 117.00 107.91 2j4l n LEU 183 Ca 0.06 0.92 -0.33 0.00 0.00 0.00 0.00 56.01 56.65 2j4l n LEU 183 Cb 0.59 -0.45 -0.14 0.00 0.00 0.00 0.00 43.42 43.42 2j4l n LEU 183 CO 0.43 -0.47 -0.41 -0.76 0.00 0.00 0.00 177.39 176.18 2j4l s LEU 184 N -5.90 3.61 1.14 -1.96 1.43 -1.26 -4.78 118.68 110.95 2j4l s LEU 184 Ca -0.00 -1.29 -0.16 0.00 -1.03 0.00 0.00 54.13 51.64 2j4l s LEU 184 Cb 0.00 -1.63 0.26 0.00 0.03 0.00 0.00 46.19 44.85 2j4l s LEU 184 CO 0.01 -0.21 1.09 1.51 0.23 0.00 0.00 176.35 178.98 2j4l s ASP 185 N 1.19 1.43 0.18 2.29 3.84 -1.23 -4.67 116.67 119.70 2j4l s ASP 185 Ca -0.06 0.88 -0.20 0.00 -0.00 0.00 0.00 52.55 53.16 2j4l s ASP 185 Cb -0.20 -1.32 0.11 0.00 -1.38 0.00 0.00 42.92 40.14 2j4l s ASP 185 CO -0.03 -3.83 1.61 1.55 -0.00 0.00 0.00 175.17 174.46 2j4l h PRO 186 N -2.38 -0.16 -0.96 2.11 0.13 -1.98 -2.10 132.00 126.66 2j4l h PRO 186 Ca -0.50 0.01 0.02 0.00 -0.87 0.00 0.00 66.00 64.66 2j4l h PRO 186 Cb 1.31 0.04 -0.05 0.00 0.13 0.00 0.00 31.00 32.43 2j4l h PRO 186 CO 0.44 -0.11 0.63 1.25 -0.23 0.00 0.00 178.00 179.98 2j4l h LEU 187 N -0.17 1.08 0.04 1.56 5.85 -1.97 -0.56 115.31 121.15 2j4l h LEU 187 Ca 0.21 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.91 2j4l h LEU 187 Cb 0.51 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 2j4l h LEU 187 CO -0.57 0.77 -0.06 0.00 -0.34 0.00 0.00 178.44 178.24 2j4l h ALA 188 N 1.36 -0.10 -0.30 1.25 0.00 -1.70 0.28 119.26 120.05 2j4l h ALA 188 Ca 0.36 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.28 2j4l h ALA 188 Cb -0.11 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2j4l h ALA 188 CO -0.09 -0.57 0.16 0.82 0.00 0.00 0.00 179.25 179.57 2j4l h ILE 189 N -0.13 1.01 -0.97 0.00 2.04 -1.03 0.33 117.51 118.76 2j4l h ILE 189 Ca 0.01 -0.11 0.07 0.00 1.00 0.00 0.00 64.86 65.83 2j4l h ILE 189 Cb 0.14 0.65 -0.07 0.00 -0.74 0.00 0.00 36.82 36.80 2j4l h ILE 189 CO -0.03 0.06 0.62 0.50 0.00 0.00 0.00 178.15 179.29 2j4l h LYS 190 N 0.34 1.07 0.06 2.37 3.64 -0.85 -1.21 116.57 121.99 2j4l h LYS 190 Ca 0.12 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2j4l h LYS 190 Cb 0.02 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.60 2j4l h LYS 190 CO -0.07 0.71 -0.03 0.82 -2.27 0.00 0.00 179.45 178.61 2j4l h ILE 191 N 1.11 1.24 -0.70 2.00 1.08 -0.29 -2.33 117.51 119.62 2j4l h ILE 191 Ca 0.43 -1.14 0.07 0.00 -0.39 0.00 0.00 64.86 63.83 2j4l h ILE 191 Cb 0.21 1.98 -0.04 0.00 -3.07 0.00 0.00 36.82 35.89 2j4l h ILE 191 CO -0.19 0.28 0.46 -0.37 -0.69 0.00 0.00 178.15 177.65 2j4l h VAL 192 N -0.60 1.00 0.24 1.67 -1.51 -0.78 -1.48 116.25 114.79 2j4l h VAL 192 Ca -0.01 -0.24 -0.01 0.00 -1.23 0.00 0.00 66.70 65.21 2j4l h VAL 192 Cb 0.52 0.24 0.00 0.00 -2.13 0.00 0.00 31.29 29.93 2j4l h VAL 192 CO 0.01 0.13 -0.12 -0.33 -1.23 0.00 0.00 177.57 176.03 2j4l h GLU 193 N 0.69 -0.31 0.00 5.19 5.08 -1.24 0.21 114.58 124.19 2j4l h GLU 193 Ca 0.31 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.68 2j4l h GLU 193 Cb 0.31 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 2j4l h GLU 193 CO -0.10 0.05 -0.06 0.07 -1.00 0.00 0.00 179.01 177.97 2j4l h ARG 194 N -0.83 0.00 -0.36 2.33 0.11 -1.21 -2.08 114.38 112.33 2j4l h ARG 194 Ca -0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.05 2j4l h ARG 194 Cb 0.51 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.59 2j4l h ARG 194 CO 0.05 0.06 0.00 0.43 0.10 0.00 0.00 179.97 180.61 2j4l n SER 195 N -4.27 3.02 -3.68 0.08 7.64 -0.57 -5.01 113.62 110.82 2j4l n SER 195 Ca -0.03 -1.91 -0.27 0.00 1.01 0.00 0.00 58.87 57.67 2j4l n SER 195 Cb 0.14 -0.24 0.02 0.00 -1.01 0.00 0.00 64.21 63.12 2j4l n SER 195 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2j4l n LYS 196 N 0.86 -1.17 -4.24 1.43 5.02 0.35 -4.97 118.16 115.43 2j4l n LYS 196 Ca 0.14 0.66 -0.34 0.00 -2.02 0.00 0.00 58.31 56.74 2j4l n LYS 196 Cb 0.46 -3.52 -0.12 0.00 -0.02 0.00 0.00 35.03 31.83 2j4l n LYS 196 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2j4l s ILE 197 N -3.25 4.00 0.13 -0.18 1.01 0.46 -4.95 121.20 118.43 2j4l s ILE 197 Ca 0.25 -0.31 -0.21 0.00 0.00 0.00 0.00 60.65 60.38 2j4l s ILE 197 Cb -0.11 -2.78 -0.07 0.00 0.01 0.00 0.00 42.46 39.51 2j4l s ILE 197 CO 0.87 0.47 0.66 0.00 0.00 0.00 0.00 174.94 176.93 2j4l s ARG 198 N 0.60 4.32 -0.19 2.79 1.70 -0.43 -4.46 118.95 123.28 2j4l s ARG 198 Ca -0.01 0.88 -0.04 0.00 -0.47 0.00 0.00 55.73 56.08 2j4l s ARG 198 Cb -0.14 -3.19 -0.02 0.00 -0.57 0.00 0.00 34.95 31.03 2j4l s ARG 198 CO 0.02 0.58 -0.02 0.08 -1.08 0.00 0.00 175.30 174.89 2j4l s VAL 199 N -1.19 3.86 -0.38 4.99 1.01 -0.70 -1.04 120.40 126.95 2j4l s VAL 199 Ca 0.33 -0.35 -0.09 0.00 0.00 0.00 0.00 61.98 61.87 2j4l s VAL 199 Cb -0.20 -2.73 0.04 0.00 0.00 0.00 0.00 36.38 33.49 2j4l s VAL 199 CO 0.22 0.45 0.20 -0.63 0.00 0.00 0.00 175.10 175.33 2j4l s ILE 200 N 0.87 4.30 -0.13 2.22 1.01 -0.15 0.46 121.20 129.79 2j4l s ILE 200 Ca 0.00 -1.07 -0.20 0.00 0.00 0.00 0.00 60.65 59.38 2j4l s ILE 200 Cb -0.14 -3.48 -0.04 0.00 0.01 0.00 0.00 42.46 38.81 2j4l s ILE 200 CO 0.02 -0.30 0.56 -0.69 0.00 0.00 0.00 174.94 174.52 2j4l s VAL 201 N 1.48 5.12 0.00 2.92 1.01 0.76 -0.85 120.40 130.85 2j4l s VAL 201 Ca 0.01 1.10 0.00 0.00 0.00 0.00 0.00 61.98 63.09 2j4l s VAL 201 Cb -0.20 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.29 2j4l s VAL 201 CO 0.05 0.26 0.00 1.15 0.00 0.00 0.00 175.10 176.56 2j4l n MET 202 N 4.03 0.84 -4.67 2.72 0.00 -0.91 -1.37 117.12 117.76 2j4l n MET 202 Ca -0.05 0.00 -0.27 0.00 0.00 0.00 0.00 57.70 57.39 2j4l n MET 202 Cb 0.51 0.00 -0.17 0.00 0.00 0.00 0.00 33.22 33.56 2j4l n MET 202 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 175.97 177.18 2j4l s ASN 203 N 1.00 2.11 0.00 3.17 3.84 -1.26 -3.42 114.94 120.39 2j4l s ASN 203 Ca 0.00 -0.36 0.06 0.00 0.21 0.00 0.00 52.86 52.77 2j4l s ASN 203 Cb 0.00 -0.97 0.29 0.00 -0.55 0.00 0.00 41.25 40.03 2j4l s ASN 203 CO 0.00 0.05 1.13 0.00 -2.79 0.00 0.00 177.10 175.49 2j4l n TYR 204 N 3.83 0.00 0.22 0.43 0.18 -0.86 -0.86 117.16 120.11 2j4l n TYR 204 Ca -0.21 0.00 0.09 0.00 1.88 0.00 0.00 57.90 59.66 2j4l n TYR 204 Cb 0.52 -0.40 0.49 0.00 -0.38 0.00 0.00 39.34 39.57 2j4l n TYR 204 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2j4l h ARG 205 N 0.00 0.00 -0.64 -3.48 -0.00 -1.95 -2.45 114.38 105.87 2j4l h ARG 205 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 2j4l h ARG 205 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.05 2j4l h ARG 205 CO 0.00 0.25 0.00 1.63 0.00 0.00 0.00 179.97 181.85 2j4l n LYS 206 N -3.53 3.44 -0.31 0.04 5.02 -0.04 -4.52 118.16 118.27 2j4l n LYS 206 Ca -0.01 -2.79 0.13 0.00 -2.02 0.00 0.00 58.31 53.62 2j4l n LYS 206 Cb 0.40 -1.78 0.27 0.00 -0.02 0.00 0.00 35.03 33.90 2j4l n LYS 206 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2j4l h LEU 207 N 3.94 -0.24 -1.60 -0.35 3.38 -1.49 0.86 115.31 119.81 2j4l h LEU 207 Ca 0.00 0.23 0.14 0.00 0.09 0.00 0.00 57.88 58.34 2j4l h LEU 207 Cb 1.31 0.36 -0.05 0.00 0.09 0.00 0.00 40.66 42.37 2j4l h LEU 207 CO 0.16 -0.24 0.49 -0.55 0.09 0.00 0.00 178.44 178.39 2j4l h ASN 208 N 0.11 0.37 -0.64 -0.43 7.08 -1.84 -1.05 115.58 119.19 2j4l h ASN 208 Ca 0.55 0.02 -0.35 0.00 -3.08 0.00 0.00 56.30 53.44 2j4l h ASN 208 Cb 1.11 -0.06 -0.20 0.00 -2.08 0.00 0.00 38.32 37.10 2j4l h ASN 208 CO -0.76 0.20 0.45 0.54 -2.08 0.00 0.00 177.43 175.78 2j4l n ARG 209 N -4.47 1.85 -0.17 4.14 1.74 0.30 -4.54 116.66 115.51 2j4l n ARG 209 Ca 0.14 -1.95 -0.10 0.00 -0.77 0.00 0.00 57.85 55.16 2j4l n ARG 209 Cb 0.51 -1.76 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 2j4l n ARG 209 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 2j4l h ILE 210 N 0.70 1.27 -0.74 0.55 6.09 -1.13 -0.63 117.51 123.62 2j4l h ILE 210 Ca 0.40 -1.19 0.09 0.00 -1.37 0.00 0.00 64.86 62.80 2j4l h ILE 210 Cb 1.96 1.03 -0.05 0.00 0.47 0.00 0.00 36.82 40.24 2j4l h ILE 210 CO 0.76 0.41 0.48 0.40 -3.07 0.00 0.00 178.15 177.14 2j4l h ILE 211 N 0.77 0.95 0.00 2.19 1.08 -1.85 -0.84 117.51 119.82 2j4l h ILE 211 Ca 0.13 -0.23 -0.02 0.00 -0.39 0.00 0.00 64.86 64.35 2j4l h ILE 211 Cb 0.61 0.23 -0.00 0.00 -3.07 0.00 0.00 36.82 34.59 2j4l h ILE 211 CO 0.04 0.12 -0.18 0.44 -0.69 0.00 0.00 178.15 177.88 2j4l h ASP 212 N 0.67 0.00 -0.72 1.72 3.32 -1.89 -2.66 116.42 116.86 2j4l h ASP 212 Ca 0.33 -0.35 0.14 0.00 0.02 0.00 0.00 57.03 57.17 2j4l h ASP 212 Cb 0.42 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.84 2j4l h ASP 212 CO -0.12 0.77 -0.26 0.40 -1.72 0.00 0.00 179.24 178.32 2j4l h ILE 213 N -1.00 0.20 0.17 0.35 1.08 -1.06 36.93 117.51 154.18 2j4l h ILE 213 Ca -0.03 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.45 2j4l h ILE 213 Cb 0.49 0.20 -0.02 0.00 -3.07 0.00 0.00 36.82 34.41 2j4l h ILE 213 CO -0.02 0.00 -0.23 -0.07 -0.69 0.00 0.00 178.15 177.14 2j4l h LEU 214 N -0.06 -0.63 -2.65 1.44 3.38 -1.31 -1.51 115.31 113.97 2j4l h LEU 214 Ca 0.32 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.35 2j4l h LEU 214 Cb 0.56 0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.54 2j4l h LEU 214 CO -0.76 -0.33 0.00 2.29 0.09 0.00 0.00 178.44 179.73 2j4l n LYS 215 N -5.35 2.64 0.00 1.13 2.85 0.34 -4.90 118.16 114.87 2j4l n LYS 215 Ca -0.07 -2.39 0.00 0.00 -1.05 0.00 0.00 58.31 54.80 2j4l n LYS 215 Cb 0.26 -1.47 0.00 0.00 -0.65 0.00 0.00 35.03 33.17 2j4l n LYS 215 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2j4l n GLY 216 N 1.30 1.57 3.59 2.58 0.00 10.91 -4.94 105.19 120.19 2j4l n GLY 216 Ca 0.20 -0.52 -0.14 0.00 0.00 0.00 0.00 46.02 45.55 2j4l n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2j4l s GLU 217 N 4.31 0.80 0.00 1.61 8.01 -1.25 -4.88 118.70 127.29 2j4l s GLU 217 Ca 0.00 0.93 0.00 0.00 0.01 0.00 0.00 54.97 55.91 2j4l s GLU 217 Cb 0.00 0.39 0.00 0.00 -4.31 0.00 0.00 34.13 30.21 2j4l s GLU 217 CO 0.00 -0.10 0.00 -1.91 0.01 0.00 0.00 175.26 173.26 2j4l n GLU 218 N 2.69 0.00 -2.51 1.61 2.13 -1.26 -4.82 120.64 118.48 2j4l n GLU 218 Ca -0.14 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.37 2j4l n GLU 218 Cb 0.55 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 32.26 2j4l n GLU 218 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2j4l n VAL 219 N 0.00 3.11 -4.39 6.31 0.31 -1.26 -5.01 118.33 117.39 2j4l n VAL 219 Ca 0.00 -5.08 -0.23 0.00 -0.01 0.00 0.00 64.34 59.02 2j4l n VAL 219 Cb 0.00 -1.32 -0.11 0.00 -0.91 0.00 0.00 33.84 31.50 2j4l n VAL 219 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2j4l s SER 220 N -2.88 3.10 -0.20 4.52 1.04 -1.26 -4.70 113.70 113.31 2j4l s SER 220 Ca 0.48 -0.93 -0.03 0.00 0.48 0.00 0.00 55.95 55.95 2j4l s SER 220 Cb 0.36 -0.22 -0.00 0.00 0.10 0.00 0.00 66.02 66.26 2j4l s SER 220 CO -0.21 0.00 -0.08 -0.44 0.98 0.00 0.00 173.24 173.49 2j4l s SER 221 N -3.00 4.07 -0.29 7.02 0.01 -0.47 -4.74 113.70 116.30 2j4l s SER 221 Ca 0.22 -0.43 -0.09 0.00 1.31 0.00 0.00 55.95 56.96 2j4l s SER 221 Cb -0.05 -1.68 -0.02 0.00 0.21 0.00 0.00 66.02 64.47 2j4l s SER 221 CO 0.10 0.00 0.13 -0.63 0.41 0.00 0.00 173.24 173.25 2j4l s ILE 222 N 1.34 4.62 -0.31 1.44 1.01 -1.15 -0.17 121.20 127.98 2j4l s ILE 222 Ca 0.04 -0.25 -0.18 0.00 0.00 0.00 0.00 60.65 60.26 2j4l s ILE 222 Cb -0.14 -3.27 -0.02 0.00 0.01 0.00 0.00 42.46 39.04 2j4l s ILE 222 CO -0.04 0.18 0.49 -0.63 0.00 0.00 0.00 174.94 174.94 2j4l s ILE 223 N 1.64 5.06 -0.04 2.92 1.09 0.17 -2.28 121.20 129.75 2j4l s ILE 223 Ca 0.06 0.58 -0.18 0.00 -1.10 0.00 0.00 60.65 60.00 2j4l s ILE 223 Cb -0.16 -3.88 -0.05 0.00 -1.06 0.00 0.00 42.46 37.31 2j4l s ILE 223 CO 0.06 -0.05 0.50 -1.61 -0.10 0.00 0.00 174.94 173.74 2j4l s GLU 224 N 2.32 4.22 0.39 2.79 0.41 -0.45 -1.71 118.70 126.67 2j4l s GLU 224 Ca 0.19 0.54 -0.25 0.00 -0.41 0.00 0.00 54.97 55.04 2j4l s GLU 224 Cb -0.16 -3.34 -0.09 0.00 -1.78 0.00 0.00 34.13 28.77 2j4l s GLU 224 CO 0.11 0.39 1.16 -1.25 -0.49 0.00 0.00 175.26 175.18 2j4l s PRO 225 N -0.17 4.10 0.00 0.39 0.04 -1.26 -2.44 135.00 135.66 2j4l s PRO 225 Ca 0.27 1.82 0.00 0.00 0.04 0.00 0.00 61.00 63.13 2j4l s PRO 225 Cb -0.17 -2.71 0.00 0.00 0.04 0.00 0.00 34.50 31.67 2j4l s PRO 225 CO 0.14 -0.27 0.00 1.33 0.04 0.00 0.00 177.00 178.23