#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ijp s MET 1 N 0.00 3.69 -0.16 -1.46 1.75 -0.84 -4.90 119.30 117.38 3ijp s MET 1 Ca 0.00 -0.44 -0.25 0.00 -1.25 0.00 0.00 55.69 53.75 3ijp s MET 1 Cb 0.00 -3.01 -0.02 0.00 2.84 0.00 0.00 34.83 34.65 3ijp s MET 1 CO 0.00 0.32 0.82 1.03 -0.65 0.00 0.00 175.02 176.54 3ijp s ARG 2 N 0.18 4.30 0.06 4.11 0.52 -1.26 -0.38 118.95 126.48 3ijp s ARG 2 Ca 0.01 1.00 0.07 0.00 -0.52 0.00 0.00 55.73 56.28 3ijp s ARG 2 Cb -0.13 -3.57 -0.03 0.00 0.52 0.00 0.00 34.95 31.74 3ijp s ARG 2 CO 0.02 -0.30 -0.18 -0.51 0.02 0.00 0.00 175.30 174.34 3ijp s LEU 3 N 2.07 2.21 -0.13 2.53 1.43 0.04 -1.06 118.68 125.77 3ijp s LEU 3 Ca 0.38 -0.56 -0.02 0.00 -1.03 0.00 0.00 54.13 52.90 3ijp s LEU 3 Cb -0.17 -0.80 -0.03 0.00 0.03 0.00 0.00 46.19 45.22 3ijp s LEU 3 CO 0.13 0.08 -0.05 -0.89 0.23 0.00 0.00 176.35 175.84 3ijp s THR 4 N -0.95 3.78 -0.24 5.49 2.01 0.41 -1.51 115.64 124.63 3ijp s THR 4 Ca 0.05 -0.41 -0.09 0.00 0.31 0.00 0.00 61.69 61.54 3ijp s THR 4 Cb -0.09 -2.62 -0.04 0.00 0.01 0.00 0.00 72.50 69.75 3ijp s THR 4 CO 0.02 0.52 0.12 -0.69 -0.69 0.00 0.00 174.62 173.91 3ijp s VAL 5 N 0.11 4.98 0.49 3.82 1.01 -0.91 -0.58 120.40 129.32 3ijp s VAL 5 Ca -0.02 0.05 0.07 0.00 0.00 0.00 0.00 61.98 62.09 3ijp s VAL 5 Cb -0.14 -3.32 0.02 0.00 0.00 0.00 0.00 36.38 32.95 3ijp s VAL 5 CO 0.03 0.35 0.48 0.68 0.00 0.00 0.00 175.10 176.64 3ijp s VAL 6 N 1.18 2.26 -1.49 2.92 -7.23 -0.81 -1.30 120.40 115.93 3ijp s VAL 6 Ca 0.06 -1.29 -0.12 0.00 -1.81 0.00 0.00 61.98 58.82 3ijp s VAL 6 Cb -0.14 -2.56 0.07 0.00 0.56 0.00 0.00 36.38 34.31 3ijp s VAL 6 CO 0.05 0.00 0.87 0.61 -0.31 0.00 0.00 175.10 176.31 3ijp n GLY 7 N -1.78 -0.50 0.16 2.32 0.00 -0.98 -4.58 105.19 99.83 3ijp n GLY 7 Ca 0.05 0.17 0.01 0.00 0.00 0.00 0.00 46.02 46.25 3ijp n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ijp h ALA 8 N 0.98 1.04 -0.06 4.61 0.00 -1.60 0.15 119.26 124.38 3ijp h ALA 8 Ca -0.55 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 53.89 3ijp h ALA 8 Cb 1.36 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3ijp h ALA 8 CO 0.63 0.65 0.00 -1.71 0.00 0.00 0.00 179.25 178.82 3ijp n ASN 9 N -3.78 0.87 -0.44 0.00 5.15 -1.26 -3.69 115.26 112.11 3ijp n ASN 9 Ca -0.01 -1.45 0.00 0.00 -0.60 0.00 0.00 54.58 52.52 3ijp n ASN 9 Cb 0.56 -0.03 0.00 0.00 -0.53 0.00 0.00 39.78 39.77 3ijp n ASN 9 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3ijp n GLY 10 N 1.03 1.61 0.33 8.20 0.00 0.52 -4.99 105.19 111.88 3ijp n GLY 10 Ca 0.18 -1.93 -0.01 0.00 0.00 0.00 0.00 46.02 44.25 3ijp n GLY 10 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3ijp h ARG 11 N 0.00 1.04 -0.03 1.61 0.11 -1.81 -3.07 114.38 112.24 3ijp h ARG 11 Ca 0.00 -0.06 0.00 0.00 0.10 0.00 0.00 59.98 60.02 3ijp h ARG 11 Cb 0.00 -0.24 0.00 0.00 1.11 0.00 0.00 29.97 30.84 3ijp h ARG 11 CO 0.00 0.69 0.00 -0.12 0.10 0.00 0.00 179.97 180.64 3ijp n MET 12 N -4.55 0.19 0.05 0.08 1.56 -1.26 -4.74 117.12 108.45 3ijp n MET 12 Ca 0.11 -0.93 -0.13 0.00 -0.27 0.00 0.00 57.70 56.48 3ijp n MET 12 Cb 0.09 -1.09 -0.08 0.00 2.15 0.00 0.00 33.22 34.29 3ijp n MET 12 CO 0.00 0.00 0.00 0.78 -0.73 0.00 0.00 175.97 176.02 3ijp h GLY 13 N 0.91 -0.08 1.01 -5.12 0.00 -1.71 0.12 103.07 98.19 3ijp h GLY 13 Ca 0.00 0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.33 3ijp h GLY 13 CO 0.00 -0.03 0.31 3.21 0.00 0.00 0.00 176.54 180.03 3ijp h ARG 14 N -0.27 0.98 -0.84 4.80 3.08 -1.76 -1.46 114.38 118.91 3ijp h ARG 14 Ca -0.01 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 59.86 3ijp h ARG 14 Cb 0.24 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.07 3ijp h ARG 14 CO 0.01 0.79 0.41 0.93 -1.07 0.00 0.00 179.97 181.04 3ijp h GLU 15 N 0.94 1.21 -0.44 0.04 4.39 -1.74 0.34 114.58 119.33 3ijp h GLU 15 Ca 0.23 -0.17 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 3ijp h GLU 15 Cb 0.14 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 3ijp h GLU 15 CO -0.03 0.92 0.19 -0.07 -1.16 0.00 0.00 179.01 178.87 3ijp h LEU 16 N 1.20 0.59 -0.38 1.33 3.38 -0.55 -0.59 115.31 120.29 3ijp h LEU 16 Ca 0.29 -0.15 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 3ijp h LEU 16 Cb 0.11 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3ijp h LEU 16 CO -0.04 0.57 -0.17 0.40 0.09 0.00 0.00 178.44 179.29 3ijp h ILE 17 N 0.56 1.28 -0.17 1.22 2.04 -0.85 -0.68 117.51 120.90 3ijp h ILE 17 Ca 0.15 -1.30 0.00 0.00 1.00 0.00 0.00 64.86 64.71 3ijp h ILE 17 Cb 0.16 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 3ijp h ILE 17 CO -0.02 0.43 0.11 0.74 0.00 0.00 0.00 178.15 179.41 3ijp h THR 18 N 0.58 1.06 -0.79 -0.27 2.02 -0.81 -1.17 112.91 113.54 3ijp h THR 18 Ca 0.08 -0.15 -0.04 0.00 0.77 0.00 0.00 66.41 67.08 3ijp h THR 18 Cb 0.72 0.85 -0.04 0.00 -1.74 0.00 0.00 68.15 67.95 3ijp h THR 18 CO 0.05 0.06 0.33 0.00 0.37 0.00 0.00 175.52 176.34 3ijp h ALA 19 N 1.04 1.11 -0.43 6.16 0.00 -0.87 -2.50 119.26 123.76 3ijp h ALA 19 Ca 0.06 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 3ijp h ALA 19 Cb 0.01 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3ijp h ALA 19 CO -0.01 0.65 -0.22 0.82 0.00 0.00 0.00 179.25 180.49 3ijp h ILE 20 N 1.13 1.27 -0.18 0.00 2.04 -0.91 -3.12 117.51 117.74 3ijp h ILE 20 Ca 0.27 -1.35 -0.04 0.00 1.00 0.00 0.00 64.86 64.74 3ijp h ILE 20 Cb 0.18 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 3ijp h ILE 20 CO -0.03 0.46 -0.05 1.56 0.00 0.00 0.00 178.15 180.09 3ijp h GLN 21 N 0.75 0.26 -0.04 2.37 1.08 -0.79 -2.65 115.11 116.09 3ijp h GLN 21 Ca 0.10 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 3ijp h GLN 21 Cb 0.75 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.14 3ijp h GLN 21 CO 0.06 0.33 0.00 2.89 -0.95 0.00 0.00 178.83 181.16 3ijp n ARG 22 N -4.34 1.58 -4.26 1.46 1.85 -1.02 -4.88 116.66 107.06 3ijp n ARG 22 Ca -0.00 -0.85 -0.29 0.00 -1.00 0.00 0.00 57.85 55.71 3ijp n ARG 22 Cb 0.21 -1.46 -0.10 0.00 -1.05 0.00 0.00 32.46 30.06 3ijp n ARG 22 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3ijp s ARG 23 N -1.96 2.07 0.19 2.89 0.52 -1.00 -5.02 118.95 116.63 3ijp s ARG 23 Ca 0.38 -1.13 0.21 0.00 -0.52 0.00 0.00 55.73 54.67 3ijp s ARG 23 Cb 0.20 -2.23 -0.00 0.00 0.52 0.00 0.00 34.95 33.44 3ijp s ARG 23 CO 0.32 0.48 1.05 1.57 0.02 0.00 0.00 175.30 178.74 3ijp h LYS 24 N 3.35 0.00 -0.01 3.54 5.09 -1.90 -3.38 116.57 123.27 3ijp h LYS 24 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.26 3ijp h LYS 24 Cb 1.18 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.51 3ijp h LYS 24 CO 0.52 0.07 -0.21 -0.40 -2.09 0.00 0.00 179.45 177.35 3ijp n ASP 25 N -2.77 0.76 -4.05 7.07 5.75 -1.26 -4.74 116.55 117.31 3ijp n ASP 25 Ca -0.02 -0.70 -0.16 0.00 -0.01 0.00 0.00 54.79 53.90 3ijp n ASP 25 Cb 0.61 0.05 -0.13 0.00 -1.03 0.00 0.00 41.12 40.62 3ijp n ASP 25 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 3ijp s VAL 26 N -2.53 0.68 -0.09 2.12 -7.23 -1.26 -1.98 120.40 110.11 3ijp s VAL 26 Ca 0.25 -0.73 0.02 0.00 -1.81 0.00 0.00 61.98 59.71 3ijp s VAL 26 Cb 0.19 -0.64 0.01 0.00 0.56 0.00 0.00 36.38 36.50 3ijp s VAL 26 CO 0.51 -0.06 -0.16 -0.70 -0.31 0.00 0.00 175.10 174.38 3ijp s GLU 27 N -0.88 2.15 -0.31 4.82 2.12 0.48 -4.77 118.70 122.32 3ijp s GLU 27 Ca -0.02 -0.56 -0.29 0.00 0.36 0.00 0.00 54.97 54.46 3ijp s GLU 27 Cb -0.06 -1.75 0.01 0.00 0.26 0.00 0.00 34.13 32.58 3ijp s GLU 27 CO 0.00 0.03 1.25 -1.17 -0.54 0.00 0.00 175.26 174.84 3ijp s LEU 28 N 0.71 3.88 -0.01 2.70 2.96 -1.26 -0.78 118.68 126.88 3ijp s LEU 28 Ca -0.13 1.15 0.10 0.00 -0.22 0.00 0.00 54.13 55.03 3ijp s LEU 28 Cb -0.16 -3.54 -0.13 0.00 0.50 0.00 0.00 46.19 42.86 3ijp s LEU 28 CO 0.03 -1.05 0.30 0.00 -1.32 0.00 0.00 176.35 174.32 3ijp s ALA 30 N -2.30 -1.49 -0.04 0.00 0.00 -1.22 -4.94 121.76 111.77 3ijp s ALA 30 Ca -0.00 0.89 -0.01 0.00 0.00 0.00 0.00 51.96 52.84 3ijp s ALA 30 Cb 0.07 0.22 0.03 0.00 0.00 0.00 0.00 23.12 23.43 3ijp s ALA 30 CO 0.40 -0.44 0.03 0.08 0.00 0.00 0.00 175.76 175.83 3ijp s VAL 31 N -1.86 0.07 -0.08 0.00 1.01 -1.26 -2.13 120.40 116.15 3ijp s VAL 31 Ca -0.08 0.27 0.02 0.00 0.00 0.00 0.00 61.98 62.18 3ijp s VAL 31 Cb -0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 36.38 36.09 3ijp s VAL 31 CO 0.03 0.18 -0.13 -0.22 0.00 0.00 0.00 175.10 174.97 3ijp s LEU 32 N 1.80 2.80 0.34 3.92 2.96 -0.42 -1.78 118.68 128.29 3ijp s LEU 32 Ca 0.01 -0.22 0.05 0.00 -0.22 0.00 0.00 54.13 53.75 3ijp s LEU 32 Cb -0.12 -1.60 -0.07 0.00 0.50 0.00 0.00 46.19 44.90 3ijp s LEU 32 CO -0.03 0.28 0.04 0.68 -1.32 0.00 0.00 176.35 176.00 3ijp s VAL 33 N -0.34 1.37 0.61 1.68 -7.23 -0.46 -1.85 120.40 114.18 3ijp s VAL 33 Ca 0.04 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.02 3ijp s VAL 33 Cb -0.13 -2.82 -0.03 0.00 0.56 0.00 0.00 36.38 33.97 3ijp s VAL 33 CO 0.02 -0.01 1.24 0.00 -0.31 0.00 0.00 175.10 176.04 3ijp s ARG 34 N -3.85 2.83 0.18 4.82 3.03 -1.26 -4.35 118.95 120.35 3ijp s ARG 34 Ca 0.36 1.91 -0.33 0.00 2.03 0.00 0.00 55.73 59.70 3ijp s ARG 34 Cb 0.09 -1.90 -0.15 0.00 -1.03 0.00 0.00 34.95 31.96 3ijp s ARG 34 CO 0.16 -1.34 1.35 1.63 -1.13 0.00 0.00 175.30 175.96 3ijp n LYS 35 N -1.70 1.62 -0.99 3.89 5.02 -1.26 -2.12 118.16 122.63 3ijp n LYS 35 Ca 0.14 0.58 0.00 0.00 -2.02 0.00 0.00 58.31 57.01 3ijp n LYS 35 Cb 0.49 -2.20 0.00 0.00 -0.02 0.00 0.00 35.03 33.30 3ijp n LYS 35 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ijp n GLY 36 N 2.38 0.33 3.71 0.72 0.00 -1.26 -5.01 105.19 106.07 3ijp n GLY 36 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 3ijp n GLY 36 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3ijp n SER 37 N -0.35 2.45 0.03 1.61 2.88 -0.90 -4.87 113.62 114.46 3ijp n SER 37 Ca 0.00 1.03 0.22 0.00 -1.33 0.00 0.00 58.87 58.79 3ijp n SER 37 Cb 0.18 -1.52 0.73 0.00 -0.75 0.00 0.00 64.21 62.85 3ijp n SER 37 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3ijp h SER 38 N 1.69 0.00 1.16 -3.46 0.02 -1.95 -2.65 113.55 108.37 3ijp h SER 38 Ca -0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 3ijp h SER 38 Cb 1.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.84 3ijp h SER 38 CO 0.58 0.00 0.00 0.49 -1.14 0.00 0.00 176.83 176.76 3ijp n PHE 39 N -3.94 0.36 -1.78 3.45 3.72 -1.26 -4.79 117.46 113.21 3ijp n PHE 39 Ca 0.10 0.11 -0.41 0.00 -0.05 0.00 0.00 57.45 57.19 3ijp n PHE 39 Cb 0.68 -0.67 -0.01 0.00 -0.94 0.00 0.00 39.48 38.53 3ijp n PHE 39 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3ijp s VAL 40 N -3.04 2.05 0.00 -4.37 1.01 -1.00 -1.90 120.40 113.15 3ijp s VAL 40 Ca 0.12 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.15 3ijp s VAL 40 Cb 0.16 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.51 3ijp s VAL 40 CO 0.55 0.01 0.00 0.47 0.00 0.00 0.00 175.10 176.13 3ijp n ASP 41 N 1.46 0.00 -4.85 3.32 8.00 0.03 -4.99 116.55 119.52 3ijp n ASP 41 Ca 0.05 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.24 3ijp n ASP 41 Cb 0.38 -0.44 -0.01 0.00 -0.02 0.00 0.00 41.12 41.03 3ijp n ASP 41 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3ijp s LYS 42 N -0.06 3.77 0.44 -1.24 -0.14 -0.80 -4.75 119.74 116.96 3ijp s LYS 42 Ca 0.00 0.88 -0.23 0.00 -1.36 0.00 0.00 55.97 55.26 3ijp s LYS 42 Cb 0.00 -2.11 -0.08 0.00 -1.68 0.00 0.00 37.83 33.96 3ijp s LYS 42 CO 0.00 -0.43 1.09 0.34 -0.76 0.00 0.00 175.35 175.60 3ijp s ASP 43 N -3.53 6.43 0.58 2.83 2.15 -1.26 -1.17 116.67 122.70 3ijp s ASP 43 Ca 0.57 2.12 0.28 0.00 0.43 0.00 0.00 52.55 55.95 3ijp s ASP 43 Cb -0.11 -2.59 1.59 0.00 -0.30 0.00 0.00 42.92 41.52 3ijp s ASP 43 CO 0.41 -0.72 2.08 0.00 -0.17 0.00 0.00 175.17 176.77 3ijp h ALA 44 N 2.13 1.92 -0.41 3.66 0.00 -1.19 -1.62 119.26 123.76 3ijp h ALA 44 Ca -0.49 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 54.53 3ijp h ALA 44 Cb 1.23 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 3ijp h ALA 44 CO 0.61 -0.35 0.34 0.66 0.00 0.00 0.00 179.25 180.51 3ijp h SER 45 N 0.00 0.00 0.56 0.00 4.64 -1.84 -1.61 113.55 115.30 3ijp h SER 45 Ca 0.11 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.42 3ijp h SER 45 Cb 0.57 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3ijp h SER 45 CO -0.00 0.00 -0.05 -0.29 -0.87 0.00 0.00 176.83 175.62 3ijp h ILE 46 N 0.00 0.18 0.00 0.95 2.10 -1.60 0.15 117.51 119.29 3ijp h ILE 46 Ca 0.19 -0.42 -0.18 0.00 1.08 0.00 0.00 64.86 65.54 3ijp h ILE 46 Cb 0.87 1.34 -0.03 0.00 -1.09 0.00 0.00 36.82 37.92 3ijp h ILE 46 CO -0.00 0.04 -0.84 -0.07 -1.08 0.00 0.00 178.15 176.20 3ijp h LEU 47 N 0.00 0.00 -1.27 2.19 3.38 -1.50 -3.36 115.31 114.75 3ijp h LEU 47 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ijp h LEU 47 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3ijp h LEU 47 CO 0.01 0.84 0.00 2.30 0.09 0.00 0.00 178.44 181.68 3ijp n ILE 48 N -3.45 0.16 -3.35 1.22 -5.35 -1.00 -4.92 119.36 102.66 3ijp n ILE 48 Ca -0.00 -0.55 -0.19 0.00 -0.27 0.00 0.00 62.75 61.74 3ijp n ILE 48 Cb 0.83 0.97 0.06 0.00 -1.74 0.00 0.00 39.64 39.76 3ijp n ILE 48 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ijp n GLY 49 N -0.08 -0.24 2.98 3.28 0.00 0.50 -5.03 105.19 106.60 3ijp n GLY 49 Ca 0.00 0.06 -0.16 0.00 0.00 0.00 0.00 46.02 45.92 3ijp n GLY 49 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ijp n SER 50 N -2.18 1.74 -4.78 1.61 3.41 -1.13 -5.07 113.62 107.22 3ijp n SER 50 Ca -0.02 -2.22 -0.30 0.00 -0.26 0.00 0.00 58.87 56.07 3ijp n SER 50 Cb 0.56 -0.28 0.11 0.00 -0.26 0.00 0.00 64.21 64.34 3ijp n SER 50 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3ijp s ASP 51 N -3.71 4.15 -0.01 4.04 1.01 -1.26 -4.81 116.67 116.09 3ijp s ASP 51 Ca 0.43 1.31 -0.36 0.00 0.71 0.00 0.00 52.55 54.63 3ijp s ASP 51 Cb -0.03 -2.01 -0.15 0.00 1.01 0.00 0.00 42.92 41.73 3ijp s ASP 51 CO 0.27 -2.18 1.58 0.33 0.21 0.00 0.00 175.17 175.37 3ijp n PHE 52 N -3.57 1.95 0.92 4.23 7.35 -1.26 -4.67 117.46 122.41 3ijp n PHE 52 Ca 0.07 0.42 0.09 0.00 -0.76 0.00 0.00 57.45 57.27 3ijp n PHE 52 Cb 0.56 -2.47 -0.11 0.00 0.35 0.00 0.00 39.48 37.81 3ijp n PHE 52 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 3ijp n LEU 53 N 4.05 0.92 -1.10 -2.13 4.77 -1.26 -4.99 117.00 117.26 3ijp n LEU 53 Ca 0.21 -0.49 -0.11 0.00 -0.03 0.00 0.00 56.01 55.59 3ijp n LEU 53 Cb 0.22 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.29 3ijp n LEU 53 CO 0.68 0.23 -0.13 0.61 -1.33 0.00 0.00 177.39 177.46 3ijp n GLY 54 N 1.47 0.26 2.80 -0.72 0.00 -1.26 -5.02 105.19 102.72 3ijp n GLY 54 Ca 0.04 -0.47 -0.27 0.00 0.00 0.00 0.00 46.02 45.32 3ijp n GLY 54 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ijp s VAL 55 N -2.49 0.70 -0.21 1.61 1.01 -1.26 -5.06 120.40 114.70 3ijp s VAL 55 Ca 0.00 -0.41 -0.17 0.00 0.00 0.00 0.00 61.98 61.40 3ijp s VAL 55 Cb 0.00 -0.99 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 3ijp s VAL 55 CO 0.00 0.04 0.46 -0.60 0.00 0.00 0.00 175.10 175.00 3ijp s ARG 56 N 1.81 4.17 0.30 2.72 3.52 -1.26 -0.55 118.95 129.65 3ijp s ARG 56 Ca 0.01 0.31 -0.29 0.00 -0.13 0.00 0.00 55.73 55.63 3ijp s ARG 56 Cb -0.15 -3.56 -0.10 0.00 -1.56 0.00 0.00 34.95 29.58 3ijp s ARG 56 CO -0.07 -0.12 1.36 0.42 -0.81 0.00 0.00 175.30 176.08 3ijp s ILE 57 N 1.55 2.68 0.13 4.11 1.01 -0.31 -4.65 121.20 125.71 3ijp s ILE 57 Ca 0.21 0.64 0.04 0.00 0.00 0.00 0.00 60.65 61.54 3ijp s ILE 57 Cb -0.15 -3.41 -0.04 0.00 0.01 0.00 0.00 42.46 38.87 3ijp s ILE 57 CO 0.09 0.13 -0.10 0.28 0.00 0.00 0.00 174.94 175.34 3ijp s THR 58 N -0.71 1.10 -0.68 2.92 -1.32 -0.74 -0.79 115.64 115.42 3ijp s THR 58 Ca 0.53 -1.93 0.13 0.00 -1.21 0.00 0.00 61.69 59.21 3ijp s THR 58 Cb -0.41 -1.70 0.40 0.00 -1.51 0.00 0.00 72.50 69.28 3ijp s THR 58 CO 0.50 -0.69 1.32 -0.90 -2.21 0.00 0.00 174.62 172.64 3ijp n ASP 59 N 0.04 3.31 -4.43 8.08 5.75 -1.26 -1.36 116.55 126.69 3ijp n ASP 59 Ca -0.12 -2.35 -0.41 0.00 -0.01 0.00 0.00 54.79 51.89 3ijp n ASP 59 Cb 0.60 -0.35 -0.11 0.00 -1.03 0.00 0.00 41.12 40.23 3ijp n ASP 59 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3ijp s ASP 60 N -1.31 5.89 0.49 -1.12 2.15 -1.26 -4.69 116.67 116.83 3ijp s ASP 60 Ca 0.30 -0.86 0.14 0.00 0.43 0.00 0.00 52.55 52.56 3ijp s ASP 60 Cb 0.20 -2.08 1.17 0.00 -0.30 0.00 0.00 42.92 41.91 3ijp s ASP 60 CO 0.14 -0.38 2.12 1.55 -0.17 0.00 0.00 175.17 178.43 3ijp h PRO 61 N 8.51 0.13 -0.94 4.34 0.13 -1.96 -0.96 132.00 141.25 3ijp h PRO 61 Ca -0.27 -0.01 0.06 0.00 -0.87 0.00 0.00 66.00 64.91 3ijp h PRO 61 Cb 1.12 -0.03 -0.06 0.00 0.13 0.00 0.00 31.00 32.15 3ijp h PRO 61 CO 0.68 0.09 0.60 0.93 -0.23 0.00 0.00 178.00 180.07 3ijp h GLU 62 N 0.14 1.07 0.09 0.86 4.39 -1.97 -0.81 114.58 118.34 3ijp h GLU 62 Ca 0.04 -0.06 -0.19 0.00 0.34 0.00 0.00 59.36 59.49 3ijp h GLU 62 Cb 0.01 -0.24 0.02 0.00 -0.10 0.00 0.00 28.75 28.44 3ijp h GLU 62 CO -0.01 0.71 -0.80 1.03 -1.16 0.00 0.00 179.01 178.78 3ijp h SER 63 N 1.10 0.56 -0.43 1.42 0.87 -1.65 -3.14 113.55 112.28 3ijp h SER 63 Ca 0.40 -0.86 0.01 0.00 -1.23 0.00 0.00 61.79 60.11 3ijp h SER 63 Cb 0.15 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 61.91 3ijp h SER 63 CO -0.17 1.36 0.29 0.00 -0.53 0.00 0.00 176.83 177.78 3ijp h ALA 64 N 0.20 1.71 -0.65 6.23 0.00 -0.86 -2.36 119.26 123.53 3ijp h ALA 64 Ca -0.12 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3ijp h ALA 64 Cb 1.56 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.18 3ijp h ALA 64 CO 0.15 0.27 0.00 1.19 0.00 0.00 0.00 179.25 180.86 3ijp n PHE 65 N -4.47 0.87 0.15 0.00 3.72 -0.34 -4.60 117.46 112.78 3ijp n PHE 65 Ca 0.04 -0.49 -0.00 0.00 -0.05 0.00 0.00 57.45 56.94 3ijp n PHE 65 Cb 0.07 -0.01 0.22 0.00 -0.94 0.00 0.00 39.48 38.82 3ijp n PHE 65 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3ijp h SER 66 N 3.88 0.00 -0.93 4.37 4.64 -1.36 -3.37 113.55 120.78 3ijp h SER 66 Ca 0.00 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.95 3ijp h SER 66 Cb 0.94 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 62.77 3ijp h SER 66 CO 0.00 0.56 -0.78 -3.20 -0.87 0.00 0.00 176.83 172.54 3ijp n ASN 67 N -3.84 -1.37 -4.29 4.97 5.15 -1.26 -5.12 115.26 109.49 3ijp n ASN 67 Ca -0.01 -3.09 -0.15 0.00 -0.60 0.00 0.00 54.58 50.72 3ijp n ASN 67 Cb 0.57 0.70 -0.10 0.00 -0.53 0.00 0.00 39.78 40.42 3ijp n ASN 67 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 3ijp s THR 68 N -0.32 0.50 -0.01 -0.44 -1.32 -1.26 -4.99 115.64 107.79 3ijp s THR 68 Ca 0.33 -2.00 0.07 0.00 -1.21 0.00 0.00 61.69 58.88 3ijp s THR 68 Cb 0.22 -2.55 -0.11 0.00 -1.51 0.00 0.00 72.50 68.56 3ijp s THR 68 CO -0.16 -0.07 0.15 -0.62 -2.21 0.00 0.00 174.62 171.71 3ijp n GLU 69 N -0.41 0.43 -3.60 7.08 1.02 -0.22 -4.95 120.64 119.98 3ijp n GLU 69 Ca -0.01 -0.06 -0.12 0.00 -0.02 0.00 0.00 57.16 56.96 3ijp n GLU 69 Cb 0.66 -1.17 -0.05 0.00 -0.02 0.00 0.00 31.44 30.86 3ijp n GLU 69 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3ijp s GLY 70 N -2.90 -0.34 -0.18 0.62 0.00 -0.91 -1.94 107.32 101.68 3ijp s GLY 70 Ca -0.03 0.17 -0.01 0.00 0.00 0.00 0.00 44.72 44.86 3ijp s GLY 70 CO 0.29 -0.10 -0.11 -0.42 0.00 0.00 0.00 173.10 172.76 3ijp s ILE 71 N -3.39 2.92 -0.27 0.90 1.01 0.39 -0.44 121.20 122.32 3ijp s ILE 71 Ca 0.00 -0.67 -0.08 0.00 0.00 0.00 0.00 60.65 59.90 3ijp s ILE 71 Cb 0.01 -2.27 -0.02 0.00 0.01 0.00 0.00 42.46 40.18 3ijp s ILE 71 CO -0.09 0.49 0.10 -0.76 0.00 0.00 0.00 174.94 174.67 3ijp s LEU 72 N 1.03 3.63 -0.21 2.97 1.43 0.25 -0.69 118.68 127.10 3ijp s LEU 72 Ca -0.01 -0.27 -0.04 0.00 -1.03 0.00 0.00 54.13 52.78 3ijp s LEU 72 Cb -0.15 -1.95 0.07 0.00 0.03 0.00 0.00 46.19 44.19 3ijp s LEU 72 CO -0.02 -0.07 0.08 -0.62 0.23 0.00 0.00 176.35 175.94 3ijp s ASP 73 N 1.62 2.84 -0.35 2.29 2.15 -0.58 -1.92 116.67 122.73 3ijp s ASP 73 Ca 0.06 -0.86 0.07 0.00 0.43 0.00 0.00 52.55 52.25 3ijp s ASP 73 Cb -0.16 -0.42 0.44 0.00 -0.30 0.00 0.00 42.92 42.49 3ijp s ASP 73 CO 0.05 -0.35 1.15 0.49 -0.17 0.00 0.00 175.17 176.33 3ijp n PHE 74 N 5.17 2.95 0.00 -5.34 3.01 -1.26 -0.07 117.46 121.91 3ijp n PHE 74 Ca -0.07 -2.61 0.00 0.00 1.01 0.00 0.00 57.45 55.78 3ijp n PHE 74 Cb 0.47 -0.23 0.00 0.00 -0.01 0.00 0.00 39.48 39.71 3ijp n PHE 74 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3ijp n SER 75 N -0.59 0.00 -4.23 4.37 3.41 -1.26 -4.59 113.62 110.72 3ijp n SER 75 Ca 0.40 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.78 3ijp n SER 75 Cb 0.83 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.65 3ijp n SER 75 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3ijp s GLN 76 N 2.59 1.10 0.25 4.33 1.11 -1.26 -4.72 119.66 123.06 3ijp s GLN 76 Ca 0.00 -1.00 -0.05 0.00 0.01 0.00 0.00 55.36 54.32 3ijp s GLN 76 Cb 0.00 -1.24 0.49 0.00 -1.01 0.00 0.00 33.01 31.25 3ijp s GLN 76 CO 0.00 0.30 1.65 -1.35 0.01 0.00 0.00 175.29 175.90 3ijp h PRO 77 N 4.45 0.16 -0.01 2.91 0.11 -1.90 -0.50 132.00 137.22 3ijp h PRO 77 Ca -0.43 -0.01 -0.18 0.00 0.11 0.00 0.00 66.00 65.49 3ijp h PRO 77 Cb 1.18 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 3ijp h PRO 77 CO 0.41 0.11 -0.80 -0.56 -0.21 0.00 0.00 178.00 176.95 3ijp h GLN 78 N 0.17 0.13 -0.60 1.05 3.07 -1.97 -1.71 115.11 115.24 3ijp h GLN 78 Ca 0.44 -0.12 -0.08 0.00 0.09 0.00 0.00 58.65 58.97 3ijp h GLN 78 Cb 0.79 0.03 -0.02 0.00 0.08 0.00 0.00 27.48 28.36 3ijp h GLN 78 CO -0.62 0.85 0.06 0.00 0.09 0.00 0.00 178.83 179.21 3ijp h ALA 79 N 1.10 0.81 -0.24 0.06 0.00 -1.73 -2.99 119.26 116.27 3ijp h ALA 79 Ca -0.02 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 3ijp h ALA 79 Cb 1.39 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3ijp h ALA 79 CO 0.12 0.60 -0.24 0.77 0.00 0.00 0.00 179.25 180.49 3ijp h SER 80 N 0.93 0.45 -0.38 0.00 0.02 -0.63 0.28 113.55 114.22 3ijp h SER 80 Ca 0.18 -0.15 -0.05 0.00 -0.84 0.00 0.00 61.79 60.94 3ijp h SER 80 Cb 0.48 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 3ijp h SER 80 CO 0.02 0.69 0.06 0.58 -1.14 0.00 0.00 176.83 177.04 3ijp h VAL 81 N 0.40 1.24 -0.24 2.27 2.07 -1.30 -0.67 116.25 120.03 3ijp h VAL 81 Ca 0.06 -0.86 0.04 0.00 0.82 0.00 0.00 66.70 66.76 3ijp h VAL 81 Cb 0.64 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 3ijp h VAL 81 CO 0.05 0.29 0.02 0.25 0.02 0.00 0.00 177.57 178.20 3ijp h LEU 82 N 0.48 -0.04 -1.33 2.57 5.85 -1.31 -1.38 115.31 120.15 3ijp h LEU 82 Ca 0.12 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.81 3ijp h LEU 82 Cb 0.37 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 3ijp h LEU 82 CO 0.01 0.01 -0.33 1.88 -0.34 0.00 0.00 178.44 179.67 3ijp h TYR 83 N 0.11 0.00 -0.23 1.25 0.05 -0.79 -1.51 116.97 115.84 3ijp h TYR 83 Ca 0.11 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.76 3ijp h TYR 83 Cb 0.13 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.86 3ijp h TYR 83 CO -0.17 0.33 -0.40 0.00 -1.05 0.00 0.00 178.16 176.87 3ijp h ALA 84 N 1.67 0.88 -0.51 3.88 0.00 -0.51 0.28 119.26 124.95 3ijp h ALA 84 Ca -0.00 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 3ijp h ALA 84 Cb 0.63 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3ijp h ALA 84 CO 0.04 0.64 0.23 -0.97 0.00 0.00 0.00 179.25 179.19 3ijp h ASN 85 N 0.45 0.67 -0.99 0.00 -1.24 -0.51 0.16 115.58 114.12 3ijp h ASN 85 Ca 0.04 -0.14 0.03 0.00 0.71 0.00 0.00 56.30 56.93 3ijp h ASN 85 Cb 0.89 -0.17 -0.05 0.00 0.73 0.00 0.00 38.32 39.71 3ijp h ASN 85 CO 0.08 0.63 0.65 1.88 -1.29 0.00 0.00 177.43 179.38 3ijp h TYR 86 N 0.67 1.23 -0.57 0.67 -1.99 -0.91 0.45 116.97 116.52 3ijp h TYR 86 Ca 0.17 0.03 -0.09 0.00 2.00 0.00 0.00 58.73 60.84 3ijp h TYR 86 Cb 0.14 -0.41 -0.02 0.00 2.00 0.00 0.00 36.73 38.44 3ijp h TYR 86 CO -0.00 0.74 -0.01 0.00 -0.00 0.00 0.00 178.16 178.89 3ijp h ALA 87 N 1.40 0.77 0.10 3.88 0.00 -0.33 0.37 119.26 125.46 3ijp h ALA 87 Ca 0.38 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3ijp h ALA 87 Cb -0.07 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.51 3ijp h ALA 87 CO -0.10 0.61 -0.05 0.00 0.00 0.00 0.00 179.25 179.71 3ijp h ALA 88 N 0.97 -0.13 -0.92 0.00 0.00 -0.41 -0.48 119.26 118.29 3ijp h ALA 88 Ca 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3ijp h ALA 88 Cb 0.56 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 3ijp h ALA 88 CO 0.03 -0.52 0.58 1.96 0.00 0.00 0.00 179.25 181.29 3ijp h GLN 89 N -0.24 1.23 -0.34 0.00 4.20 -0.70 -3.15 115.11 116.11 3ijp h GLN 89 Ca -0.01 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.60 3ijp h GLN 89 Cb 0.20 -0.27 0.00 0.00 0.30 0.00 0.00 27.48 27.71 3ijp h GLN 89 CO 0.02 0.84 0.00 1.63 -0.67 0.00 0.00 178.83 180.65 3ijp n LYS 90 N -4.37 2.29 -3.47 1.46 5.02 0.10 -4.99 118.16 114.20 3ijp n LYS 90 Ca 0.10 -2.10 -0.18 0.00 -2.02 0.00 0.00 58.31 54.11 3ijp n LYS 90 Cb 0.04 -1.43 0.07 0.00 -0.02 0.00 0.00 35.03 33.69 3ijp n LYS 90 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3ijp n SER 91 N 1.20 -3.08 -4.56 4.39 7.64 -0.29 -5.01 113.62 113.90 3ijp n SER 91 Ca 0.16 -0.71 -0.32 0.00 1.01 0.00 0.00 58.87 59.01 3ijp n SER 91 Cb 0.53 -4.78 -0.11 0.00 -1.01 0.00 0.00 64.21 58.84 3ijp n SER 91 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3ijp s LEU 92 N -6.22 3.04 0.53 -3.43 1.43 -0.59 -5.00 118.68 108.44 3ijp s LEU 92 Ca 0.13 -0.22 -0.18 0.00 -1.03 0.00 0.00 54.13 52.84 3ijp s LEU 92 Cb -0.02 -1.76 -0.07 0.00 0.03 0.00 0.00 46.19 44.37 3ijp s LEU 92 CO 0.76 0.27 1.02 0.27 0.23 0.00 0.00 176.35 178.90 3ijp s ILE 93 N -1.00 4.05 -0.15 -0.59 -5.25 -0.82 -4.54 121.20 112.91 3ijp s ILE 93 Ca 0.17 1.08 -0.02 0.00 -0.99 0.00 0.00 60.65 60.89 3ijp s ILE 93 Cb -0.11 -3.51 0.04 0.00 2.95 0.00 0.00 42.46 41.83 3ijp s ILE 93 CO 0.08 -0.47 -0.01 -2.28 -1.79 0.00 0.00 174.94 170.47 3ijp s HIS 94 N -2.35 1.17 -0.40 1.37 2.46 -1.00 -0.46 115.29 116.07 3ijp s HIS 94 Ca 0.63 -0.74 -0.16 0.00 0.47 0.00 0.00 55.06 55.26 3ijp s HIS 94 Cb -0.14 -1.07 0.01 0.00 -0.13 0.00 0.00 32.58 31.26 3ijp s HIS 94 CO 0.29 -0.53 0.38 0.42 -2.47 0.00 0.00 174.74 172.83 3ijp s ILE 95 N 1.81 5.15 -0.37 0.89 -1.09 0.13 -1.34 121.20 126.38 3ijp s ILE 95 Ca 0.01 -0.35 -0.07 0.00 -2.23 0.00 0.00 60.65 58.01 3ijp s ILE 95 Cb -0.15 -3.96 0.06 0.00 -1.58 0.00 0.00 42.46 36.83 3ijp s ILE 95 CO -0.07 -0.32 0.17 -0.63 -1.23 0.00 0.00 174.94 172.85 3ijp s ILE 96 N 1.99 3.88 -2.63 2.92 1.01 0.13 -1.52 121.20 126.97 3ijp s ILE 96 Ca 0.10 -1.31 0.23 0.00 0.00 0.00 0.00 60.65 59.66 3ijp s ILE 96 Cb -0.17 -3.30 0.29 0.00 0.01 0.00 0.00 42.46 39.29 3ijp s ILE 96 CO 0.12 -0.34 1.30 0.61 0.00 0.00 0.00 174.94 176.63 3ijp n GLY 97 N 4.82 1.28 3.75 6.18 0.00 0.90 -2.17 105.19 119.95 3ijp n GLY 97 Ca -0.11 -0.69 -0.37 0.00 0.00 0.00 0.00 46.02 44.86 3ijp n GLY 97 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ijp s THR 98 N -1.69 2.32 0.24 2.61 2.01 -1.19 -4.69 115.64 115.25 3ijp s THR 98 Ca 0.32 0.21 0.05 0.00 0.31 0.00 0.00 61.69 62.59 3ijp s THR 98 Cb 0.20 -3.10 -0.05 0.00 0.01 0.00 0.00 72.50 69.57 3ijp s THR 98 CO 0.30 -0.03 -0.05 0.42 -0.69 0.00 0.00 174.62 174.57 3ijp s THR 99 N -1.43 1.39 0.00 -0.82 -4.23 -1.26 -4.71 115.64 104.58 3ijp s THR 99 Ca 0.76 -2.10 0.00 0.00 -1.18 0.00 0.00 61.69 59.17 3ijp s THR 99 Cb -0.36 -2.31 0.00 0.00 1.34 0.00 0.00 72.50 71.17 3ijp s THR 99 CO 0.40 -0.38 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 3ijp n GLY 100 N -0.47 1.05 3.77 3.99 0.00 -1.26 -4.49 105.19 107.78 3ijp n GLY 100 Ca -0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 3ijp n GLY 100 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ijp s PHE 101 N -2.00 3.29 0.92 1.61 0.08 -1.26 -4.89 117.98 115.73 3ijp s PHE 101 Ca 0.00 1.60 -0.12 0.00 0.12 0.00 0.00 56.93 58.53 3ijp s PHE 101 Cb 0.00 -3.37 0.14 0.00 -0.57 0.00 0.00 43.02 39.23 3ijp s PHE 101 CO 0.00 -1.02 1.12 -1.54 -0.10 0.00 0.00 175.22 173.68 3ijp s SER 102 N -0.98 3.40 0.13 1.36 1.04 -1.26 -4.87 113.70 112.53 3ijp s SER 102 Ca 0.51 1.06 -0.17 0.00 0.48 0.00 0.00 55.95 57.83 3ijp s SER 102 Cb -0.32 -1.67 -0.01 0.00 0.10 0.00 0.00 66.02 64.12 3ijp s SER 102 CO 0.41 -2.63 1.72 0.07 0.98 0.00 0.00 173.24 173.78 3ijp h LYS 103 N -1.55 0.54 -0.46 4.02 -0.00 -1.99 -1.63 116.57 115.50 3ijp h LYS 103 Ca -0.51 -0.08 0.05 0.00 -0.00 0.00 0.00 60.65 60.11 3ijp h LYS 103 Cb 1.32 -0.10 -0.05 0.00 -0.00 0.00 0.00 32.23 33.41 3ijp h LYS 103 CO 0.61 0.47 0.20 1.15 -0.00 0.00 0.00 179.45 181.87 3ijp h THR 104 N 0.47 0.91 -0.81 0.07 2.02 -1.99 -0.47 112.91 113.11 3ijp h THR 104 Ca 0.13 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 3ijp h THR 104 Cb 0.11 0.48 -0.04 0.00 -1.74 0.00 0.00 68.15 66.96 3ijp h THR 104 CO -0.02 0.07 0.45 -0.33 0.37 0.00 0.00 175.52 176.06 3ijp h GLU 105 N 0.40 1.12 -0.38 6.66 5.08 -1.89 -0.72 114.58 124.84 3ijp h GLU 105 Ca 0.21 -0.12 -0.10 0.00 -1.00 0.00 0.00 59.36 58.34 3ijp h GLU 105 Cb 0.16 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 3ijp h GLU 105 CO -0.18 0.82 -0.17 0.93 -1.00 0.00 0.00 179.01 179.41 3ijp h GLU 106 N 1.13 0.72 -0.77 2.33 5.08 -0.80 -1.44 114.58 120.82 3ijp h GLU 106 Ca 0.29 -0.26 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 3ijp h GLU 106 Cb 0.02 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 3ijp h GLU 106 CO -0.05 0.85 0.27 0.00 -1.00 0.00 0.00 179.01 179.08 3ijp h ALA 107 N 1.17 1.01 -0.62 3.43 0.00 -0.24 -1.70 119.26 122.32 3ijp h ALA 107 Ca 0.10 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 3ijp h ALA 107 Cb 0.65 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3ijp h ALA 107 CO 0.05 0.67 0.03 1.96 0.00 0.00 0.00 179.25 181.95 3ijp h GLN 108 N 1.14 1.07 -0.70 0.00 4.20 -0.82 -1.37 115.11 118.64 3ijp h GLN 108 Ca 0.25 -0.33 -0.04 0.00 0.06 0.00 0.00 58.65 58.60 3ijp h GLN 108 Cb 0.27 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.91 3ijp h GLN 108 CO -0.01 1.03 0.28 0.82 -0.67 0.00 0.00 178.83 180.28 3ijp h ILE 109 N 0.97 1.25 -0.81 2.54 2.04 -1.09 -0.90 117.51 121.51 3ijp h ILE 109 Ca 0.18 -0.76 0.09 0.00 1.00 0.00 0.00 64.86 65.36 3ijp h ILE 109 Cb 0.53 0.43 -0.07 0.00 -0.74 0.00 0.00 36.82 36.97 3ijp h ILE 109 CO 0.03 0.31 0.46 0.00 0.00 0.00 0.00 178.15 178.94 3ijp h ALA 110 N 1.13 1.14 -0.31 1.87 0.00 -0.96 -0.79 119.26 121.35 3ijp h ALA 110 Ca 0.23 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.21 3ijp h ALA 110 Cb 0.20 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3ijp h ALA 110 CO -0.02 0.10 0.11 -0.44 0.00 0.00 0.00 179.25 179.00 3ijp h ASP 111 N 0.78 0.13 0.46 0.00 3.32 -0.12 -2.74 116.42 118.26 3ijp h ASP 111 Ca 0.39 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.40 3ijp h ASP 111 Cb 0.34 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 3ijp h ASP 111 CO -0.24 0.11 -0.30 -0.26 -1.72 0.00 0.00 179.24 176.83 3ijp h PHE 112 N 0.25 0.00 0.00 4.55 0.04 -0.48 -1.15 116.94 120.15 3ijp h PHE 112 Ca 0.13 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.90 3ijp h PHE 112 Cb 0.10 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.25 3ijp h PHE 112 CO -0.13 0.30 0.00 0.00 -0.60 0.00 0.00 178.31 177.88 3ijp n ALA 113 N -2.38 1.42 0.26 2.45 0.00 -0.37 -1.66 120.51 120.23 3ijp n ALA 113 Ca -0.02 -0.01 0.15 0.00 0.00 0.00 0.00 53.44 53.56 3ijp n ALA 113 Cb 0.38 -1.18 0.58 0.00 0.00 0.00 0.00 19.45 19.23 3ijp n ALA 113 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3ijp h LYS 114 N 0.00 0.00 0.00 0.00 1.57 -1.23 -2.16 116.57 114.75 3ijp h LYS 114 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3ijp h LYS 114 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 3ijp h LYS 114 CO 0.00 0.04 -0.55 0.66 -0.57 0.00 0.00 179.45 179.03 3ijp n TYR 115 N -3.15 0.00 -3.91 -1.35 4.01 -0.66 -4.83 117.16 107.27 3ijp n TYR 115 Ca 0.01 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.63 3ijp n TYR 115 Cb 0.36 -0.03 -0.00 0.00 -0.31 0.00 0.00 39.34 39.36 3ijp n TYR 115 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 3ijp n THR 116 N -1.29 0.00 -3.68 -0.72 5.66 -1.15 -4.82 114.28 108.28 3ijp n THR 116 Ca 0.01 -1.36 -0.38 0.00 -3.05 0.00 0.00 64.05 59.27 3ijp n THR 116 Cb 0.15 1.02 -0.12 0.00 -1.55 0.00 0.00 70.33 69.83 3ijp n THR 116 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 3ijp s THR 117 N -2.48 4.63 -0.08 1.09 2.01 -1.26 -1.49 115.64 118.05 3ijp s THR 117 Ca 0.22 -0.21 0.04 0.00 0.31 0.00 0.00 61.69 62.05 3ijp s THR 117 Cb -0.03 -3.26 -0.01 0.00 0.01 0.00 0.00 72.50 69.21 3ijp s THR 117 CO 0.16 0.20 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.45 3ijp s ILE 118 N 1.64 2.38 -0.22 1.82 1.01 -0.08 -2.38 121.20 125.37 3ijp s ILE 118 Ca 0.06 -0.93 -0.01 0.00 0.00 0.00 0.00 60.65 59.77 3ijp s ILE 118 Cb -0.16 -1.92 0.02 0.00 0.01 0.00 0.00 42.46 40.41 3ijp s ILE 118 CO 0.06 0.56 -0.11 -0.69 0.00 0.00 0.00 174.94 174.76 3ijp s VAL 119 N 0.04 2.58 -0.17 2.92 1.01 -0.45 -0.32 120.40 126.00 3ijp s VAL 119 Ca -0.08 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 60.93 3ijp s VAL 119 Cb -0.15 -2.23 0.03 0.00 0.00 0.00 0.00 36.38 34.03 3ijp s VAL 119 CO 0.05 0.34 -0.14 -0.75 0.00 0.00 0.00 175.10 174.60 3ijp s LYS 120 N 1.31 2.38 -0.17 2.72 2.20 -0.03 -0.69 119.74 127.46 3ijp s LYS 120 Ca 0.02 -0.72 -0.11 0.00 -0.36 0.00 0.00 55.97 54.80 3ijp s LYS 120 Cb -0.15 -2.32 0.05 0.00 -1.51 0.00 0.00 37.83 33.90 3ijp s LYS 120 CO -0.07 -0.29 0.42 -1.12 -0.36 0.00 0.00 175.35 173.92 3ijp s SER 121 N 1.40 -0.50 0.59 1.43 0.01 -0.92 -4.47 113.70 111.24 3ijp s SER 121 Ca 0.03 0.89 0.32 0.00 1.31 0.00 0.00 55.95 58.50 3ijp s SER 121 Cb -0.14 0.81 1.85 0.00 0.21 0.00 0.00 66.02 68.75 3ijp s SER 121 CO -0.10 -0.18 2.23 1.23 0.41 0.00 0.00 173.24 176.83 3ijp h GLY 122 N 6.59 0.00 -6.26 3.44 0.00 -1.84 -3.38 103.07 101.62 3ijp h GLY 122 Ca -0.33 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.53 3ijp h GLY 122 CO 0.27 0.00 -0.79 0.21 0.00 0.00 0.00 176.54 176.23 3ijp s ASN 123 N -5.96 1.51 0.00 0.19 3.84 -1.26 -4.94 114.94 108.31 3ijp s ASN 123 Ca -0.04 -0.21 0.19 0.00 0.21 0.00 0.00 52.86 53.00 3ijp s ASN 123 Cb 0.14 -0.64 0.44 0.00 -0.55 0.00 0.00 41.25 40.64 3ijp s ASN 123 CO 0.53 -0.05 1.36 0.23 -2.79 0.00 0.00 177.10 176.38 3ijp n MET 124 N 4.24 2.51 -2.23 0.43 2.81 -1.26 -4.86 117.12 118.77 3ijp n MET 124 Ca -0.20 -2.26 -0.42 0.00 -1.81 0.00 0.00 57.70 53.01 3ijp n MET 124 Cb 0.51 -1.44 -0.03 0.00 -0.71 0.00 0.00 33.22 31.54 3ijp n MET 124 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3ijp s SER 125 N -1.15 6.88 0.17 7.83 0.15 -1.26 -3.89 113.70 122.43 3ijp s SER 125 Ca 0.36 2.26 -0.14 0.00 0.70 0.00 0.00 55.95 59.13 3ijp s SER 125 Cb 0.20 -2.58 0.12 0.00 -1.71 0.00 0.00 66.02 62.04 3ijp s SER 125 CO 0.27 -0.61 1.78 -0.07 1.20 0.00 0.00 173.24 175.81 3ijp h LEU 126 N 6.79 0.33 -0.58 3.45 3.38 -1.93 -2.51 115.31 124.26 3ijp h LEU 126 Ca -0.42 0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.47 3ijp h LEU 126 Cb 1.21 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 3ijp h LEU 126 CO 0.85 0.23 -0.06 1.23 0.09 0.00 0.00 178.44 180.79 3ijp h GLY 127 N 0.46 1.14 0.91 0.83 0.00 -1.95 -1.42 103.07 103.05 3ijp h GLY 127 Ca 0.21 -0.89 -0.05 0.00 0.00 0.00 0.00 47.33 46.60 3ijp h GLY 127 CO -0.15 0.81 0.03 -2.08 0.00 0.00 0.00 176.54 175.15 3ijp h VAL 128 N 0.95 1.25 -0.47 4.60 2.07 -1.94 -0.82 116.25 121.88 3ijp h VAL 128 Ca 0.16 -0.91 -0.08 0.00 0.82 0.00 0.00 66.70 66.68 3ijp h VAL 128 Cb 0.63 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 3ijp h VAL 128 CO 0.04 0.30 -0.01 0.78 0.02 0.00 0.00 177.57 178.71 3ijp h ASN 129 N 0.42 0.83 -0.28 0.57 2.35 -1.37 -1.32 115.58 116.79 3ijp h ASN 129 Ca 0.10 -0.31 0.06 0.00 -0.55 0.00 0.00 56.30 55.61 3ijp h ASN 129 Cb 0.41 -0.22 -0.07 0.00 0.05 0.00 0.00 38.32 38.49 3ijp h ASN 129 CO 0.01 0.94 -0.17 0.25 -1.65 0.00 0.00 177.43 176.82 3ijp h LEU 130 N 0.70 -0.55 -0.45 1.61 5.85 -1.21 -2.23 115.31 119.03 3ijp h LEU 130 Ca 0.13 0.12 0.03 0.00 0.84 0.00 0.00 57.88 59.00 3ijp h LEU 130 Cb 0.52 0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.80 3ijp h LEU 130 CO 0.03 -0.20 0.25 0.25 -0.34 0.00 0.00 178.44 178.42 3ijp h LEU 131 N -0.14 0.39 -0.51 2.25 5.85 -0.94 -0.81 115.31 121.40 3ijp h LEU 131 Ca 0.15 0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.96 3ijp h LEU 131 Cb 0.36 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.26 3ijp h LEU 131 CO -0.36 0.28 0.16 0.00 -0.34 0.00 0.00 178.44 178.18 3ijp h ALA 132 N 1.22 0.62 -0.77 1.25 0.00 -1.06 0.87 119.26 121.38 3ijp h ALA 132 Ca 0.19 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 3ijp h ALA 132 Cb 0.05 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3ijp h ALA 132 CO -0.10 -0.24 0.37 -0.97 0.00 0.00 0.00 179.25 178.31 3ijp h ASN 133 N 0.33 1.01 -0.21 0.00 -0.73 -0.67 -1.69 115.58 113.62 3ijp h ASN 133 Ca 0.25 -0.13 -0.15 0.00 1.87 0.00 0.00 56.30 58.14 3ijp h ASN 133 Cb 0.29 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 38.61 3ijp h ASN 133 CO -0.27 0.86 -0.39 -0.07 -0.37 0.00 0.00 177.43 177.18 3ijp h LEU 134 N 1.09 0.79 -0.55 0.34 3.38 -0.46 -1.80 115.31 118.10 3ijp h LEU 134 Ca 0.27 -0.36 0.04 0.00 0.09 0.00 0.00 57.88 57.92 3ijp h LEU 134 Cb 0.11 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 3ijp h LEU 134 CO -0.03 1.09 0.30 0.58 0.09 0.00 0.00 178.44 180.47 3ijp h VAL 135 N 0.61 1.00 -0.39 1.22 2.07 -0.66 -0.15 116.25 119.95 3ijp h VAL 135 Ca 0.05 -0.20 -0.07 0.00 0.82 0.00 0.00 66.70 67.30 3ijp h VAL 135 Cb 0.94 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 3ijp h VAL 135 CO 0.09 0.11 -0.02 0.50 0.02 0.00 0.00 177.57 178.26 3ijp h LYS 136 N 0.59 0.70 -0.43 1.57 3.64 -1.06 0.82 116.57 122.39 3ijp h LYS 136 Ca 0.24 -0.23 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 3ijp h LYS 136 Cb 0.10 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 3ijp h LYS 136 CO -0.14 0.81 0.26 -0.09 -2.27 0.00 0.00 179.45 178.01 3ijp h ARG 137 N 0.51 0.50 -0.57 1.90 2.43 -1.16 -1.69 114.38 116.31 3ijp h ARG 137 Ca 0.11 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.16 3ijp h ARG 137 Cb 0.51 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 3ijp h ARG 137 CO 0.02 0.33 0.01 0.00 -1.51 0.00 0.00 179.97 178.83 3ijp h ALA 138 N 1.19 0.96 -0.03 2.80 0.00 -0.80 -0.93 119.26 122.45 3ijp h ALA 138 Ca 0.17 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 3ijp h ALA 138 Cb 0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3ijp h ALA 138 CO -0.08 0.63 -0.41 0.00 0.00 0.00 0.00 179.25 179.40 3ijp h ALA 139 N 1.11 1.27 0.13 0.00 0.00 -0.57 -0.94 119.26 120.26 3ijp h ALA 139 Ca 0.17 -0.38 -0.30 0.00 0.00 0.00 0.00 54.91 54.39 3ijp h ALA 139 Cb 0.50 -0.07 0.03 0.00 0.00 0.00 0.00 17.79 18.25 3ijp h ALA 139 CO 0.02 0.54 -1.26 -0.22 0.00 0.00 0.00 179.25 178.33 3ijp h LYS 140 N 0.05 0.56 -0.14 0.00 3.64 -1.03 -3.37 116.57 116.28 3ijp h LYS 140 Ca 0.00 -0.78 -0.10 0.00 -1.27 0.00 0.00 60.65 58.50 3ijp h LYS 140 Cb 0.75 0.27 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 3ijp h LYS 140 CO 0.06 1.35 -0.31 0.00 -2.27 0.00 0.00 179.45 178.28 3ijp h ALA 141 N 0.33 0.23 -2.56 5.00 0.00 -1.01 -3.43 119.26 117.83 3ijp h ALA 141 Ca -0.19 -0.42 -0.57 0.00 0.00 0.00 0.00 54.91 53.73 3ijp h ALA 141 Cb 1.94 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 19.63 3ijp h ALA 141 CO 0.24 0.26 0.20 -0.51 0.00 0.00 0.00 179.25 179.43 3ijp s LEU 142 N -8.83 4.22 1.14 0.00 1.43 -0.37 -5.07 118.68 111.20 3ijp s LEU 142 Ca -0.13 1.09 -0.12 0.00 -1.03 0.00 0.00 54.13 53.93 3ijp s LEU 142 Cb 0.05 -3.08 0.27 0.00 0.03 0.00 0.00 46.19 43.46 3ijp s LEU 142 CO 0.79 -0.25 1.01 0.47 0.23 0.00 0.00 176.35 178.60 3ijp n ASP 143 N 4.60 -1.46 -0.16 2.29 9.92 -1.26 -4.79 116.55 125.69 3ijp n ASP 143 Ca 0.01 -0.08 0.00 0.00 -0.53 0.00 0.00 54.79 54.19 3ijp n ASP 143 Cb 0.50 -1.29 0.00 0.00 -0.64 0.00 0.00 41.12 39.69 3ijp n ASP 143 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 3ijp n ASP 144 N -4.80 0.29 0.00 -2.24 5.75 -1.26 -1.21 116.55 113.09 3ijp n ASP 144 Ca 0.04 -1.78 0.14 0.00 -0.01 0.00 0.00 54.79 53.18 3ijp n ASP 144 Cb 0.54 -0.15 0.82 0.00 -1.03 0.00 0.00 41.12 41.31 3ijp n ASP 144 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 3ijp n ASP 145 N -0.32 0.00 -4.53 -1.12 3.85 -1.26 -4.46 116.55 108.71 3ijp n ASP 145 Ca 0.00 -0.76 -0.41 0.00 -0.71 0.00 0.00 54.79 52.91 3ijp n ASP 145 Cb 0.07 -0.05 -0.10 0.00 -1.35 0.00 0.00 41.12 39.70 3ijp n ASP 145 CO 0.00 0.00 0.00 -0.36 -1.01 0.00 0.00 177.20 175.83 3ijp s PHE 146 N -2.10 3.22 0.14 2.11 0.08 -0.35 -4.26 117.98 116.82 3ijp s PHE 146 Ca 0.40 -0.13 -0.30 0.00 0.12 0.00 0.00 56.93 57.02 3ijp s PHE 146 Cb 0.20 -2.60 -0.07 0.00 -0.57 0.00 0.00 43.02 39.98 3ijp s PHE 146 CO 0.35 -0.42 1.04 -0.51 -0.10 0.00 0.00 175.22 175.58 3ijp s ASP 147 N 1.73 7.37 -0.30 1.36 1.01 0.25 -4.69 116.67 123.40 3ijp s ASP 147 Ca 0.09 1.95 -0.13 0.00 0.71 0.00 0.00 52.55 55.17 3ijp s ASP 147 Cb -0.17 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.13 3ijp s ASP 147 CO 0.11 -0.15 0.25 -0.63 0.21 0.00 0.00 175.17 174.96 3ijp s ILE 148 N -0.10 5.26 -0.04 0.77 1.01 -1.26 -0.39 121.20 126.46 3ijp s ILE 148 Ca 0.48 0.10 0.05 0.00 0.00 0.00 0.00 60.65 61.29 3ijp s ILE 148 Cb -0.27 -3.65 -0.01 0.00 0.01 0.00 0.00 42.46 38.55 3ijp s ILE 148 CO 0.32 0.12 -0.18 -1.61 0.00 0.00 0.00 174.94 173.59 3ijp s GLU 149 N 1.83 1.84 -0.13 2.79 0.41 -0.42 -2.47 118.70 122.55 3ijp s GLU 149 Ca 0.09 -0.65 0.02 0.00 -0.41 0.00 0.00 54.97 54.02 3ijp s GLU 149 Cb -0.16 -1.61 0.00 0.00 -1.78 0.00 0.00 34.13 30.58 3ijp s GLU 149 CO 0.11 0.27 -0.21 0.42 -0.49 0.00 0.00 175.26 175.36 3ijp s ILE 150 N -0.03 2.21 0.04 -1.63 1.01 0.14 -0.39 121.20 122.55 3ijp s ILE 150 Ca -0.03 -0.94 0.08 0.00 0.00 0.00 0.00 60.65 59.76 3ijp s ILE 150 Cb -0.11 -1.88 -0.03 0.00 0.01 0.00 0.00 42.46 40.45 3ijp s ILE 150 CO 0.02 0.55 -0.23 -0.47 0.00 0.00 0.00 174.94 174.81 3ijp s TYR 151 N 0.64 2.03 0.01 3.97 5.04 0.26 -0.70 117.35 128.61 3ijp s TYR 151 Ca -0.11 -0.39 -0.07 0.00 -2.44 0.00 0.00 57.07 54.06 3ijp s TYR 151 Cb -0.16 -1.23 0.00 0.00 0.35 0.00 0.00 41.96 40.92 3ijp s TYR 151 CO 0.02 0.09 0.14 -1.83 -1.34 0.00 0.00 175.55 172.62 3ijp s GLU 152 N -1.10 0.50 -0.03 4.97 4.04 -0.77 -0.76 118.70 125.54 3ijp s GLU 152 Ca 0.09 -0.43 0.03 0.00 0.04 0.00 0.00 54.97 54.70 3ijp s GLU 152 Cb -0.09 0.21 -0.00 0.00 0.02 0.00 0.00 34.13 34.26 3ijp s GLU 152 CO 0.01 -0.12 -0.13 1.41 -1.84 0.00 0.00 175.26 174.60 3ijp s MET 153 N -1.51 1.25 0.14 -4.83 1.75 -0.33 -1.00 119.30 114.77 3ijp s MET 153 Ca -0.14 -0.44 -0.01 0.00 -1.25 0.00 0.00 55.69 53.85 3ijp s MET 153 Cb -0.07 -1.14 -0.04 0.00 2.84 0.00 0.00 34.83 36.42 3ijp s MET 153 CO 0.01 0.20 0.05 -1.01 -0.65 0.00 0.00 175.02 173.62 3ijp s HIS 154 N 0.02 0.94 0.95 4.11 3.76 -0.83 -1.57 115.29 122.67 3ijp s HIS 154 Ca -0.01 -1.21 -0.13 0.00 -0.15 0.00 0.00 55.06 53.56 3ijp s HIS 154 Cb -0.09 -0.52 0.03 0.00 1.11 0.00 0.00 32.58 33.11 3ijp s HIS 154 CO 0.01 -0.47 0.39 -2.39 -0.85 0.00 0.00 174.74 171.43 3ijp n HIS 155 N -0.13 -1.49 -0.03 1.40 1.44 0.46 -1.25 115.22 115.61 3ijp n HIS 155 Ca -0.05 0.23 0.09 0.00 -2.01 0.00 0.00 57.72 55.98 3ijp n HIS 155 Cb 0.64 -1.78 0.49 0.00 0.12 0.00 0.00 29.99 29.45 3ijp n HIS 155 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3ijp h ALA 156 N -1.55 1.93 -0.03 1.59 0.00 -1.00 -2.57 119.26 117.63 3ijp h ALA 156 Ca -0.43 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3ijp h ALA 156 Cb 1.28 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3ijp h ALA 156 CO 0.34 -0.02 0.00 0.09 0.00 0.00 0.00 179.25 179.67 3ijp n ASN 157 N -4.47 1.38 -4.75 0.00 3.02 -1.26 -4.81 115.26 104.37 3ijp n ASN 157 Ca 0.07 -1.48 -0.41 0.00 -0.03 0.00 0.00 54.58 52.73 3ijp n ASN 157 Cb 0.26 -0.01 -0.02 0.00 -0.61 0.00 0.00 39.78 39.40 3ijp n ASN 157 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3ijp s LYS 158 N -1.98 4.13 -0.14 3.52 2.20 -0.97 -4.94 119.74 121.56 3ijp s LYS 158 Ca 0.38 2.56 -0.10 0.00 -0.36 0.00 0.00 55.97 58.45 3ijp s LYS 158 Cb 0.21 -3.03 -0.07 0.00 -1.51 0.00 0.00 37.83 33.44 3ijp s LYS 158 CO 0.33 -0.61 0.01 0.28 -0.36 0.00 0.00 175.35 175.00 3ijp h VAL 159 N 3.37 0.29 -3.82 4.02 2.07 -1.92 -3.47 116.25 116.78 3ijp h VAL 159 Ca -0.47 -1.29 -0.52 0.00 0.82 0.00 0.00 66.70 65.23 3ijp h VAL 159 Cb 1.22 0.62 0.07 0.00 -1.52 0.00 0.00 31.29 31.68 3ijp h VAL 159 CO 0.78 0.10 0.66 -1.81 0.02 0.00 0.00 177.57 177.32 3ijp s ASP 160 N -5.90 6.73 -0.28 0.57 1.01 -1.26 -5.03 116.67 112.51 3ijp s ASP 160 Ca -0.13 2.71 -0.09 0.00 0.71 0.00 0.00 52.55 55.75 3ijp s ASP 160 Cb 0.02 -2.65 0.12 0.00 1.01 0.00 0.00 42.92 41.42 3ijp s ASP 160 CO 0.25 -0.58 0.59 -0.55 0.21 0.00 0.00 175.17 175.10 3ijp s SER 161 N -0.35 -0.93 0.79 0.27 0.15 -1.26 -3.91 113.70 108.46 3ijp s SER 161 Ca 0.50 1.41 -0.14 0.00 0.70 0.00 0.00 55.95 58.43 3ijp s SER 161 Cb -0.40 2.07 0.07 0.00 -1.71 0.00 0.00 66.02 66.05 3ijp s SER 161 CO 0.53 -0.22 1.21 -2.84 1.20 0.00 0.00 173.24 173.11 3ijp s PRO 162 N 2.83 1.73 0.74 5.44 0.02 -1.26 -5.11 135.00 139.40 3ijp s PRO 162 Ca -0.04 1.78 -0.16 0.00 0.02 0.00 0.00 61.00 62.61 3ijp s PRO 162 Cb -0.12 -1.78 -0.02 0.00 0.02 0.00 0.00 34.50 32.60 3ijp s PRO 162 CO -0.18 -2.15 0.65 -1.13 -0.33 0.00 0.00 177.00 173.87 3ijp n SER 163 N -3.15 -0.76 -0.35 2.53 3.41 -1.25 -4.79 113.62 109.25 3ijp n SER 163 Ca 0.14 0.59 0.09 0.00 -0.26 0.00 0.00 58.87 59.43 3ijp n SER 163 Cb 0.50 -1.27 0.26 0.00 -0.26 0.00 0.00 64.21 63.44 3ijp n SER 163 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3ijp h GLY 164 N -0.44 1.65 0.98 5.00 0.00 -1.99 -1.92 103.07 106.34 3ijp h GLY 164 Ca -0.46 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 46.44 3ijp h GLY 164 CO 0.43 0.06 0.12 -0.84 0.00 0.00 0.00 176.54 176.32 3ijp h THR 165 N 0.87 1.24 -0.69 4.70 2.02 -1.99 -0.79 112.91 118.27 3ijp h THR 165 Ca 0.52 -0.86 0.11 0.00 0.77 0.00 0.00 66.41 66.95 3ijp h THR 165 Cb 0.63 0.82 -0.08 0.00 -1.74 0.00 0.00 68.15 67.78 3ijp h THR 165 CO -0.31 0.31 0.30 0.00 0.37 0.00 0.00 175.52 176.19 3ijp h ALA 166 N 1.00 0.94 -0.41 6.16 0.00 -1.75 -0.51 119.26 124.70 3ijp h ALA 166 Ca 0.16 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 3ijp h ALA 166 Cb 0.34 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3ijp h ALA 166 CO 0.00 -0.14 0.08 -0.07 0.00 0.00 0.00 179.25 179.12 3ijp h LEU 167 N 0.49 0.64 -0.76 0.00 3.38 -1.03 0.12 115.31 118.16 3ijp h LEU 167 Ca 0.36 -0.25 0.09 0.00 0.09 0.00 0.00 57.88 58.17 3ijp h LEU 167 Cb 0.45 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 40.96 3ijp h LEU 167 CO -0.32 0.73 0.41 0.25 0.09 0.00 0.00 178.44 179.60 3ijp h LEU 168 N 0.53 0.57 -0.38 1.67 5.85 -0.69 0.01 115.31 122.85 3ijp h LEU 168 Ca 0.13 0.05 -0.16 0.00 0.84 0.00 0.00 57.88 58.74 3ijp h LEU 168 Cb 0.35 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 3ijp h LEU 168 CO 0.01 0.32 -0.38 -0.07 -0.34 0.00 0.00 178.44 177.98 3ijp h LEU 169 N 0.69 1.00 -0.94 2.25 3.38 -0.69 -1.59 115.31 119.42 3ijp h LEU 169 Ca 0.37 -0.47 0.01 0.00 0.09 0.00 0.00 57.88 57.89 3ijp h LEU 169 Cb 0.36 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 3ijp h LEU 169 CO -0.25 1.26 0.62 1.23 0.09 0.00 0.00 178.44 181.39 3ijp h GLY 170 N 0.76 1.33 1.63 0.83 0.00 -0.27 -1.40 103.07 105.94 3ijp h GLY 170 Ca 0.06 -0.49 -0.13 0.00 0.00 0.00 0.00 47.33 46.77 3ijp h GLY 170 CO 0.09 0.47 -0.45 -1.61 0.00 0.00 0.00 176.54 175.05 3ijp h GLN 171 N 1.27 0.40 -0.49 4.80 5.75 -0.82 -0.40 115.11 125.63 3ijp h GLN 171 Ca 0.35 -0.22 0.01 0.00 -0.15 0.00 0.00 58.65 58.64 3ijp h GLN 171 Cb -0.13 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.40 3ijp h GLN 171 CO -0.08 0.78 0.31 0.00 -2.65 0.00 0.00 178.83 177.19 3ijp h ALA 172 N 1.19 0.62 -0.41 3.38 0.00 -0.80 -1.23 119.26 122.01 3ijp h ALA 172 Ca 0.02 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3ijp h ALA 172 Cb 0.93 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3ijp h ALA 172 CO 0.08 0.04 0.12 0.00 0.00 0.00 0.00 179.25 179.49 3ijp h ALA 173 N 1.19 0.54 -0.45 0.00 0.00 -0.74 -1.51 119.26 118.29 3ijp h ALA 173 Ca 0.18 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3ijp h ALA 173 Cb -0.05 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3ijp h ALA 173 CO -0.05 0.19 0.28 0.00 0.00 0.00 0.00 179.25 179.67 3ijp h ALA 174 N 0.97 0.57 -0.54 0.00 0.00 -0.88 -1.14 119.26 118.24 3ijp h ALA 174 Ca 0.13 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.04 3ijp h ALA 174 Cb 0.27 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3ijp h ALA 174 CO -0.00 0.04 0.28 0.93 0.00 0.00 0.00 179.25 180.50 3ijp h GLU 175 N 0.60 0.53 -0.68 0.00 5.08 -1.06 -0.48 114.58 118.56 3ijp h GLU 175 Ca 0.16 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 3ijp h GLU 175 Cb -0.03 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.07 3ijp h GLU 175 CO -0.03 0.35 0.35 0.78 -1.00 0.00 0.00 179.01 179.46 3ijp h GLY 176 N 0.54 1.02 -0.12 -3.84 0.00 -0.72 -2.09 103.07 97.88 3ijp h GLY 176 Ca 0.23 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 47.10 3ijp h GLY 176 CO -0.15 0.45 0.00 0.54 0.00 0.00 0.00 176.54 177.37 3ijp n ARG 177 N -4.35 1.45 -3.81 4.80 5.12 -0.48 -3.67 116.66 115.71 3ijp n ARG 177 Ca 0.07 -0.66 -0.24 0.00 -1.93 0.00 0.00 57.85 55.09 3ijp n ARG 177 Cb 0.12 -1.43 0.01 0.00 -1.16 0.00 0.00 32.46 30.00 3ijp n ARG 177 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3ijp n ASN 178 N -0.17 -1.33 -3.91 0.55 4.13 -0.31 -5.01 115.26 109.21 3ijp n ASN 178 Ca 0.18 -0.88 -0.18 0.00 1.68 0.00 0.00 54.58 55.39 3ijp n ASN 178 Cb 0.25 -3.70 -0.09 0.00 -1.54 0.00 0.00 39.78 34.70 3ijp n ASN 178 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 3ijp s ILE 179 N -3.71 0.21 -0.24 2.41 -4.36 -0.48 -5.03 121.20 110.00 3ijp s ILE 179 Ca 0.09 -2.00 -0.08 0.00 -0.26 0.00 0.00 60.65 58.40 3ijp s ILE 179 Cb -0.05 -2.51 -0.03 0.00 1.25 0.00 0.00 42.46 41.12 3ijp s ILE 179 CO 0.84 0.00 0.09 -0.04 0.24 0.00 0.00 174.94 176.07 3ijp s MET 180 N -3.80 3.77 0.24 0.37 -1.94 -1.26 -4.18 119.30 112.50 3ijp s MET 180 Ca 0.37 -0.43 -0.04 0.00 -1.71 0.00 0.00 55.69 53.88 3ijp s MET 180 Cb 0.05 -3.36 0.46 0.00 2.01 0.00 0.00 34.83 33.99 3ijp s MET 180 CO 0.18 -0.10 1.71 1.25 -0.01 0.00 0.00 175.02 178.06 3ijp h LEU 181 N 7.95 0.16 -2.19 -0.03 5.85 -1.92 0.26 115.31 125.40 3ijp h LEU 181 Ca -0.37 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 3ijp h LEU 181 Cb 1.18 0.14 -0.00 0.00 0.37 0.00 0.00 40.66 42.34 3ijp h LEU 181 CO 0.60 0.04 -0.03 0.07 -0.34 0.00 0.00 178.44 178.78 3ijp h LYS 182 N 0.36 0.00 0.00 1.25 2.10 -1.96 -1.19 116.57 117.13 3ijp h LYS 182 Ca 0.42 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.07 3ijp h LYS 182 Cb 0.67 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.00 3ijp h LYS 182 CO -0.45 0.03 -0.46 -0.91 -2.00 0.00 0.00 179.45 175.65 3ijp h ASN 183 N 0.00 0.00 -0.00 7.07 2.35 -1.36 -3.39 115.58 120.24 3ijp h ASN 183 Ca -0.00 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 3ijp h ASN 183 Cb 0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.42 3ijp h ASN 183 CO 0.00 0.02 -0.11 1.33 -1.65 0.00 0.00 177.43 177.02 3ijp n VAL 184 N -2.67 0.00 -2.58 2.81 0.24 -0.66 -5.04 118.33 110.43 3ijp n VAL 184 Ca 0.03 -0.44 -0.40 0.00 -2.04 0.00 0.00 64.34 61.48 3ijp n VAL 184 Cb 0.51 1.02 -0.05 0.00 -1.47 0.00 0.00 33.84 33.85 3ijp n VAL 184 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3ijp s SER 185 N -1.03 7.40 -0.13 -1.34 1.04 -0.54 -1.32 113.70 117.77 3ijp s SER 185 Ca 0.02 2.11 -0.01 0.00 0.48 0.00 0.00 55.95 58.55 3ijp s SER 185 Cb 0.03 -2.61 0.03 0.00 0.10 0.00 0.00 66.02 63.57 3ijp s SER 185 CO 0.11 -0.06 -0.05 -0.69 0.98 0.00 0.00 173.24 173.53 3ijp s VAL 186 N -0.92 0.96 -0.11 5.02 1.01 -0.21 -4.90 120.40 121.26 3ijp s VAL 186 Ca 0.44 -0.40 -0.19 0.00 0.00 0.00 0.00 61.98 61.84 3ijp s VAL 186 Cb -0.29 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 3ijp s VAL 186 CO 0.36 0.23 0.49 0.20 0.00 0.00 0.00 175.10 176.39 3ijp s ASN 187 N 1.71 6.72 -0.70 3.32 -0.87 -1.26 -1.24 114.94 122.61 3ijp s ASN 187 Ca 0.03 0.85 -0.04 0.00 -1.57 0.00 0.00 52.86 52.13 3ijp s ASN 187 Cb -0.14 -2.30 0.01 0.00 -0.02 0.00 0.00 41.25 38.80 3ijp s ASN 187 CO -0.08 0.00 0.66 0.61 -2.57 0.00 0.00 177.10 175.73 3ijp n GLY 188 N 3.21 -1.20 0.30 0.66 0.00 -0.74 -4.86 105.19 102.56 3ijp n GLY 188 Ca -0.07 0.65 0.18 0.00 0.00 0.00 0.00 46.02 46.78 3ijp n GLY 188 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3ijp h ARG 189 N 0.61 0.00 -0.64 1.61 3.08 -1.82 -1.66 114.38 115.56 3ijp h ARG 189 Ca -0.16 0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.02 3ijp h ARG 189 Cb 1.10 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 31.05 3ijp h ARG 189 CO 0.30 0.00 0.10 1.03 -1.07 0.00 0.00 179.97 180.32 3ijp h SER 190 N 0.00 -0.09 -0.24 7.04 0.87 -1.94 -2.71 113.55 116.48 3ijp h SER 190 Ca 0.00 0.13 -0.09 0.00 -1.23 0.00 0.00 61.79 60.60 3ijp h SER 190 Cb 0.21 0.20 -0.06 0.00 -0.44 0.00 0.00 62.40 62.32 3ijp h SER 190 CO 0.00 -0.04 0.12 0.61 -0.53 0.00 0.00 176.83 176.98 3ijp n GLY 191 N -1.34 2.42 3.34 5.77 0.00 -0.62 -4.90 105.19 109.86 3ijp n GLY 191 Ca 0.10 -0.29 -0.17 0.00 0.00 0.00 0.00 46.02 45.66 3ijp n GLY 191 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ijp s HIS 192 N -1.15 1.61 0.07 1.61 4.02 -1.02 -5.14 115.29 115.29 3ijp s HIS 192 Ca 0.16 -1.08 0.02 0.00 1.02 0.00 0.00 55.06 55.18 3ijp s HIS 192 Cb 0.13 -0.97 -0.03 0.00 -1.02 0.00 0.00 32.58 30.69 3ijp s HIS 192 CO 0.04 -0.21 -0.08 0.99 1.02 0.00 0.00 174.74 176.50 3ijp s THR 193 N -3.60 0.67 0.00 1.30 2.01 -1.26 -5.04 115.64 109.72 3ijp s THR 193 Ca 0.35 -1.53 0.00 0.00 0.31 0.00 0.00 61.69 60.82 3ijp s THR 193 Cb 0.08 -1.18 0.00 0.00 0.01 0.00 0.00 72.50 71.40 3ijp s THR 193 CO 0.13 -0.61 0.00 0.61 -0.69 0.00 0.00 174.62 174.05 3ijp n GLY 194 N 0.69 2.50 3.53 4.40 0.00 -1.26 -5.03 105.19 110.01 3ijp n GLY 194 Ca -0.17 -1.89 -0.40 0.00 0.00 0.00 0.00 46.02 43.55 3ijp n GLY 194 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ijp n LYS 195 N 1.23 0.83 -1.92 1.61 4.01 -1.26 -4.97 118.16 117.69 3ijp n LYS 195 Ca 0.00 0.31 -0.41 0.00 -0.51 0.00 0.00 58.31 57.70 3ijp n LYS 195 Cb 0.00 -1.80 -0.01 0.00 -0.51 0.00 0.00 35.03 32.71 3ijp n LYS 195 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 3ijp s ARG 196 N -1.99 4.20 -0.08 1.97 3.52 -1.26 -5.01 118.95 120.30 3ijp s ARG 196 Ca 0.66 2.43 -0.22 0.00 -0.13 0.00 0.00 55.73 58.47 3ijp s ARG 196 Cb -0.53 -3.03 -0.04 0.00 -1.56 0.00 0.00 34.95 29.80 3ijp s ARG 196 CO 0.55 -0.44 0.66 -2.00 -0.81 0.00 0.00 175.30 173.27 3ijp s GLU 197 N -1.50 4.41 0.32 5.12 2.12 -1.26 -5.02 118.70 122.89 3ijp s GLU 197 Ca 0.54 0.80 -0.29 0.00 0.36 0.00 0.00 54.97 56.38 3ijp s GLU 197 Cb -0.44 -3.46 -0.12 0.00 0.26 0.00 0.00 34.13 30.37 3ijp s GLU 197 CO 0.55 0.05 1.32 1.17 -0.54 0.00 0.00 175.26 177.81 3ijp n LYS 198 N 3.86 2.13 0.00 4.30 4.81 -1.26 -2.32 118.16 129.68 3ijp n LYS 198 Ca -0.02 0.75 0.00 0.00 -0.87 0.00 0.00 58.31 58.17 3ijp n LYS 198 Cb 0.51 -2.35 0.00 0.00 0.02 0.00 0.00 35.03 33.21 3ijp n LYS 198 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ijp n GLY 199 N 1.04 2.92 3.72 3.14 0.00 -1.26 -5.02 105.19 109.72 3ijp n GLY 199 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 3ijp n GLY 199 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ijp s THR 200 N -2.38 2.50 -0.24 2.61 -4.23 -0.98 -4.94 115.64 107.98 3ijp s THR 200 Ca 0.00 0.20 -0.01 0.00 -1.18 0.00 0.00 61.69 60.70 3ijp s THR 200 Cb 0.00 -2.54 0.03 0.00 1.34 0.00 0.00 72.50 71.33 3ijp s THR 200 CO 0.00 -0.18 -0.09 -0.63 -0.54 0.00 0.00 174.62 173.18 3ijp s ILE 201 N -2.44 2.65 0.28 2.99 1.01 -0.44 -4.27 121.20 120.98 3ijp s ILE 201 Ca 0.68 -1.11 -0.07 0.00 0.00 0.00 0.00 60.65 60.14 3ijp s ILE 201 Cb -0.24 -2.35 -0.06 0.00 0.01 0.00 0.00 42.46 39.82 3ijp s ILE 201 CO 0.52 0.21 0.58 -0.83 0.00 0.00 0.00 174.94 175.41 3ijp s GLY 202 N 1.28 2.03 -0.10 6.18 0.00 -1.03 -1.04 107.32 114.65 3ijp s GLY 202 Ca -0.01 -0.40 0.00 0.00 0.00 0.00 0.00 44.72 44.31 3ijp s GLY 202 CO -0.06 -0.27 -0.07 -1.36 0.00 0.00 0.00 173.10 171.34 3ijp s PHE 203 N -2.02 1.34 -0.04 1.90 0.08 -0.38 -0.68 117.98 118.18 3ijp s PHE 203 Ca 0.46 -0.61 0.07 0.00 0.12 0.00 0.00 56.93 56.97 3ijp s PHE 203 Cb -0.11 -1.12 -0.01 0.00 -0.57 0.00 0.00 43.02 41.21 3ijp s PHE 203 CO 0.27 -0.43 -0.24 0.00 -0.10 0.00 0.00 175.22 174.72 3ijp s ALA 204 N 1.48 2.08 -0.04 5.36 0.00 0.12 -1.79 121.76 128.98 3ijp s ALA 204 Ca 0.00 -1.03 0.03 0.00 0.00 0.00 0.00 51.96 50.96 3ijp s ALA 204 Cb -0.13 -0.61 0.01 0.00 0.00 0.00 0.00 23.12 22.39 3ijp s ALA 204 CO -0.05 0.44 -0.10 0.00 0.00 0.00 0.00 175.76 176.05 3ijp s SER 206 N 0.31 3.71 -0.08 0.00 0.15 -0.17 -4.99 113.70 112.62 3ijp s SER 206 Ca -0.06 -0.36 0.01 0.00 0.70 0.00 0.00 55.95 56.24 3ijp s SER 206 Cb -0.11 -0.63 0.02 0.00 -1.71 0.00 0.00 66.02 63.60 3ijp s SER 206 CO 0.01 0.30 -0.08 -0.13 1.20 0.00 0.00 173.24 174.54 3ijp s ARG 207 N -1.01 1.39 -0.27 5.44 1.81 -1.26 -1.96 118.95 123.09 3ijp s ARG 207 Ca 0.12 -0.26 -0.28 0.00 -1.72 0.00 0.00 55.73 53.60 3ijp s ARG 207 Cb -0.10 -1.32 0.18 0.00 -0.45 0.00 0.00 34.95 33.25 3ijp s ARG 207 CO 0.02 -0.11 1.31 0.20 -0.68 0.00 0.00 175.30 176.04 3ijp s GLY 208 N 1.14 0.11 0.00 -3.53 0.00 -0.38 -4.80 107.32 99.85 3ijp s GLY 208 Ca -0.06 2.94 0.00 0.00 0.00 0.00 0.00 44.72 47.59 3ijp s GLY 208 CO -0.01 1.43 0.00 0.61 0.00 0.00 0.00 173.10 175.13 3ijp n GLY 209 N 1.04 3.00 0.07 0.20 0.00 -1.26 -3.55 105.19 104.69 3ijp n GLY 209 Ca -0.06 -0.33 0.07 0.00 0.00 0.00 0.00 46.02 45.69 3ijp n GLY 209 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ijp n THR 210 N 0.00 1.61 -1.67 2.61 -2.24 -1.26 -0.77 114.28 112.56 3ijp n THR 210 Ca 0.00 -1.85 -0.48 0.00 -2.27 0.00 0.00 64.05 59.45 3ijp n THR 210 Cb 0.00 -0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.18 3ijp n THR 210 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3ijp n VAL 211 N -1.11 0.25 -0.08 2.28 0.31 -1.25 -4.65 118.33 114.10 3ijp n VAL 211 Ca 0.11 -0.05 -0.14 0.00 -0.01 0.00 0.00 64.34 64.26 3ijp n VAL 211 Cb 0.52 -1.62 -0.05 0.00 -0.91 0.00 0.00 33.84 31.78 3ijp n VAL 211 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3ijp h ILE 212 N 4.43 1.32 0.00 2.52 1.08 -1.88 0.13 117.51 125.11 3ijp h ILE 212 Ca -0.47 -1.49 0.00 0.00 -0.39 0.00 0.00 64.86 62.51 3ijp h ILE 212 Cb 1.27 1.72 0.00 0.00 -3.07 0.00 0.00 36.82 36.74 3ijp h ILE 212 CO 0.91 0.47 0.00 0.61 -0.69 0.00 0.00 178.15 179.45 3ijp n GLY 213 N 0.25 1.54 3.59 5.37 0.00 -1.26 -4.80 105.19 109.89 3ijp n GLY 213 Ca -0.05 0.44 -0.34 0.00 0.00 0.00 0.00 46.02 46.07 3ijp n GLY 213 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ijp s ASP 214 N 0.00 5.12 -0.02 1.61 1.01 -0.61 -1.42 116.67 122.37 3ijp s ASP 214 Ca 0.00 0.02 0.02 0.00 0.71 0.00 0.00 52.55 53.30 3ijp s ASP 214 Cb 0.00 -1.69 0.00 0.00 1.01 0.00 0.00 42.92 42.24 3ijp s ASP 214 CO 0.00 0.25 -0.08 -1.00 0.21 0.00 0.00 175.17 174.55 3ijp s HIS 215 N -0.12 0.81 -0.03 4.23 3.76 -0.18 -1.19 115.29 122.57 3ijp s HIS 215 Ca 0.04 -0.18 -0.01 0.00 -0.15 0.00 0.00 55.06 54.76 3ijp s HIS 215 Cb -0.13 -0.57 0.03 0.00 1.11 0.00 0.00 32.58 33.03 3ijp s HIS 215 CO 0.02 -0.07 0.05 -1.12 -0.85 0.00 0.00 174.74 172.78 3ijp s SER 216 N 0.11 0.08 -0.22 1.40 0.01 0.06 -0.50 113.70 114.64 3ijp s SER 216 Ca -0.01 0.09 -0.04 0.00 1.31 0.00 0.00 55.95 57.30 3ijp s SER 216 Cb -0.07 -0.02 -0.01 0.00 0.21 0.00 0.00 66.02 66.13 3ijp s SER 216 CO 0.00 -0.14 -0.03 -0.63 0.41 0.00 0.00 173.24 172.85 3ijp s ILE 217 N 1.15 3.50 -0.17 1.44 1.09 0.75 -0.57 121.20 128.39 3ijp s ILE 217 Ca -0.08 -0.45 -0.08 0.00 -1.10 0.00 0.00 60.65 58.94 3ijp s ILE 217 Cb -0.13 -2.60 -0.04 0.00 -1.06 0.00 0.00 42.46 38.63 3ijp s ILE 217 CO -0.04 0.42 0.10 -0.89 -0.10 0.00 0.00 174.94 174.43 3ijp s THR 218 N 1.42 5.11 -0.33 2.92 2.01 0.48 -0.35 115.64 126.90 3ijp s THR 218 Ca 0.05 0.08 -0.06 0.00 0.31 0.00 0.00 61.69 62.07 3ijp s THR 218 Cb -0.14 -3.29 0.04 0.00 0.01 0.00 0.00 72.50 69.11 3ijp s THR 218 CO -0.02 0.49 0.09 -0.36 -0.69 0.00 0.00 174.62 174.13 3ijp s PHE 219 N 0.06 3.26 -0.30 4.92 0.08 0.63 -1.30 117.98 125.33 3ijp s PHE 219 Ca 0.07 -1.47 -0.01 0.00 0.12 0.00 0.00 56.93 55.64 3ijp s PHE 219 Cb -0.12 -2.26 0.05 0.00 -0.57 0.00 0.00 43.02 40.13 3ijp s PHE 219 CO 0.00 -0.74 -0.00 0.00 -0.10 0.00 0.00 175.22 174.38 3ijp s ALA 220 N 1.39 2.80 0.00 5.36 0.00 0.48 -1.30 121.76 130.49 3ijp s ALA 220 Ca -0.02 -1.81 0.00 0.00 0.00 0.00 0.00 51.96 50.13 3ijp s ALA 220 Cb -0.20 -1.92 0.00 0.00 0.00 0.00 0.00 23.12 21.00 3ijp s ALA 220 CO 0.02 -1.30 0.00 0.41 0.00 0.00 0.00 175.76 174.90 3ijp n GLY 221 N 4.59 5.40 3.56 0.00 0.00 0.13 -0.59 105.19 118.28 3ijp n GLY 221 Ca -0.12 -2.08 -0.39 0.00 0.00 0.00 0.00 46.02 43.43 3ijp n GLY 221 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ijp s GLU 222 N 0.48 2.68 -1.65 1.61 2.56 -1.26 -3.55 118.70 119.57 3ijp s GLU 222 Ca 0.00 0.81 0.00 0.00 0.00 0.00 0.00 54.97 55.78 3ijp s GLU 222 Cb 0.00 -4.38 0.00 0.00 2.00 0.00 0.00 34.13 31.75 3ijp s GLU 222 CO 0.00 -2.65 0.00 0.09 -0.56 0.00 0.00 175.26 172.14 3ijp n ASN 223 N 12.68 -4.90 -3.59 -1.70 5.03 -1.26 -4.98 115.26 116.55 3ijp n ASN 223 Ca 0.22 0.35 -0.13 0.00 0.87 0.00 0.00 54.58 55.88 3ijp n ASN 223 Cb 0.52 -3.82 -0.05 0.00 -1.02 0.00 0.00 39.78 35.40 3ijp n ASN 223 CO 0.00 0.00 0.00 -1.83 -1.83 0.00 0.00 177.26 173.60 3ijp s GLU 224 N -3.52 1.02 0.02 3.52 -1.05 -1.23 -5.17 118.70 112.28 3ijp s GLU 224 Ca 0.00 -0.30 0.02 0.00 -0.15 0.00 0.00 54.97 54.55 3ijp s GLU 224 Cb 0.00 0.46 -0.01 0.00 -0.44 0.00 0.00 34.13 34.14 3ijp s GLU 224 CO 0.00 -0.37 -0.07 1.03 0.95 0.00 0.00 175.26 176.80 3ijp s ARG 225 N -2.57 0.54 -0.11 -4.83 0.52 -1.26 -0.69 118.95 110.54 3ijp s ARG 225 Ca -0.05 -0.45 0.00 0.00 -0.52 0.00 0.00 55.73 54.72 3ijp s ARG 225 Cb -0.01 -0.45 -0.02 0.00 0.52 0.00 0.00 34.95 34.99 3ijp s ARG 225 CO -0.03 0.11 -0.11 0.42 0.02 0.00 0.00 175.30 175.71 3ijp s ILE 226 N -0.63 3.26 -0.11 1.52 -1.09 -0.42 -4.97 121.20 118.76 3ijp s ILE 226 Ca -0.02 -0.61 0.00 0.00 -2.23 0.00 0.00 60.65 57.79 3ijp s ILE 226 Cb -0.05 -2.35 0.02 0.00 -1.58 0.00 0.00 42.46 38.50 3ijp s ILE 226 CO 0.00 0.55 -0.09 -0.69 -1.23 0.00 0.00 174.94 173.48 3ijp s VAL 227 N -0.06 1.11 -0.16 2.92 1.01 -1.26 -0.27 120.40 123.68 3ijp s VAL 227 Ca -0.02 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.61 3ijp s VAL 227 Cb -0.14 -1.09 0.01 0.00 0.00 0.00 0.00 36.38 35.16 3ijp s VAL 227 CO 0.03 0.38 -0.18 -0.76 0.00 0.00 0.00 175.10 174.58 3ijp s LEU 228 N 1.51 2.30 0.07 3.92 1.43 0.53 -4.95 118.68 123.49 3ijp s LEU 228 Ca 0.02 -0.56 0.04 0.00 -1.03 0.00 0.00 54.13 52.60 3ijp s LEU 228 Cb -0.13 -1.52 -0.03 0.00 0.03 0.00 0.00 46.19 44.54 3ijp s LEU 228 CO -0.07 0.05 -0.12 -0.44 0.23 0.00 0.00 176.35 176.01 3ijp s SER 229 N 1.02 1.45 -0.07 2.29 0.01 -1.26 -0.18 113.70 116.96 3ijp s SER 229 Ca -0.02 -0.66 0.04 0.00 1.31 0.00 0.00 55.95 56.62 3ijp s SER 229 Cb -0.15 -0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.07 3ijp s SER 229 CO -0.05 -0.15 -0.19 -2.28 0.41 0.00 0.00 173.24 170.98 3ijp s HIS 230 N -1.63 2.01 -0.23 2.43 2.46 0.34 -4.99 115.29 115.69 3ijp s HIS 230 Ca -0.02 -0.73 0.02 0.00 0.47 0.00 0.00 55.06 54.80 3ijp s HIS 230 Cb -0.08 -1.37 0.05 0.00 -0.13 0.00 0.00 32.58 31.04 3ijp s HIS 230 CO 0.01 -0.30 -0.13 0.42 -2.47 0.00 0.00 174.74 172.28 3ijp s ILE 231 N 0.32 2.04 -0.05 0.89 1.01 -1.26 -1.01 121.20 123.14 3ijp s ILE 231 Ca -0.13 -1.36 -0.25 0.00 0.00 0.00 0.00 60.65 58.91 3ijp s ILE 231 Cb -0.15 -2.08 -0.04 0.00 0.01 0.00 0.00 42.46 40.20 3ijp s ILE 231 CO 0.05 0.13 0.76 0.00 0.00 0.00 0.00 174.94 175.89 3ijp s ALA 232 N 1.20 3.30 -0.20 9.38 0.00 -0.51 -4.98 121.76 129.95 3ijp s ALA 232 Ca -0.04 0.22 -0.09 0.00 0.00 0.00 0.00 51.96 52.05 3ijp s ALA 232 Cb -0.18 -3.04 -0.20 0.00 0.00 0.00 0.00 23.12 19.70 3ijp s ALA 232 CO -0.07 -0.13 0.07 0.94 0.00 0.00 0.00 175.76 176.57 3ijp n GLN 233 N 3.79 0.66 -3.89 0.00 7.27 -1.26 -4.13 117.38 119.83 3ijp n GLN 233 Ca 0.00 0.30 -0.09 0.00 0.07 0.00 0.00 57.00 57.29 3ijp n GLN 233 Cb 0.51 -1.64 -0.08 0.00 2.41 0.00 0.00 30.24 31.45 3ijp n GLN 233 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 3ijp s GLU 234 N -2.50 0.78 0.07 3.69 0.41 -1.26 -4.90 118.70 114.99 3ijp s GLU 234 Ca -0.29 -0.93 0.19 0.00 -0.41 0.00 0.00 54.97 53.52 3ijp s GLU 234 Cb 0.08 0.31 0.79 0.00 -1.78 0.00 0.00 34.13 33.53 3ijp s GLU 234 CO 0.65 -0.23 1.59 -2.13 -0.49 0.00 0.00 175.26 174.65 3ijp n ARG 235 N 0.11 0.06 0.08 1.61 0.63 -1.26 -3.02 116.66 114.87 3ijp n ARG 235 Ca -0.16 0.26 0.07 0.00 -0.92 0.00 0.00 57.85 57.10 3ijp n ARG 235 Cb 0.61 -1.60 0.35 0.00 0.45 0.00 0.00 32.46 32.28 3ijp n ARG 235 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 3ijp n SER 236 N -1.70 0.32 0.24 6.15 3.41 -1.26 -2.86 113.62 117.93 3ijp n SER 236 Ca 0.04 0.62 0.07 0.00 -0.26 0.00 0.00 58.87 59.34 3ijp n SER 236 Cb 0.22 -0.67 0.60 0.00 -0.26 0.00 0.00 64.21 64.09 3ijp n SER 236 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 3ijp h ILE 237 N 0.00 1.04 -0.19 -1.33 3.07 -1.97 -1.28 117.51 116.85 3ijp h ILE 237 Ca 0.00 -0.18 -0.21 0.00 1.55 0.00 0.00 64.86 66.01 3ijp h ILE 237 Cb 0.13 1.09 0.01 0.00 -0.27 0.00 0.00 36.82 37.77 3ijp h ILE 237 CO 0.00 0.05 -0.72 -0.26 -1.05 0.00 0.00 178.15 176.18 3ijp h PHE 238 N 0.01 1.05 -0.56 0.16 0.04 -1.81 -1.85 116.94 113.98 3ijp h PHE 238 Ca 0.00 -0.44 -0.05 0.00 2.80 0.00 0.00 57.97 60.28 3ijp h PHE 238 Cb 0.09 -0.17 -0.03 0.00 2.20 0.00 0.00 35.95 38.04 3ijp h PHE 238 CO 0.00 1.27 0.14 0.00 -0.60 0.00 0.00 178.31 179.12 3ijp h ALA 239 N 0.62 1.18 -0.40 2.45 0.00 -1.63 -1.50 119.26 119.98 3ijp h ALA 239 Ca -0.03 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 3ijp h ALA 239 Cb 1.34 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 3ijp h ALA 239 CO 0.15 0.56 0.15 -0.91 0.00 0.00 0.00 179.25 179.20 3ijp h ASN 240 N 0.83 0.56 -0.41 0.00 2.35 -0.93 -0.97 115.58 117.01 3ijp h ASN 240 Ca 0.18 -0.18 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 3ijp h ASN 240 Cb 0.30 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 3ijp h ASN 240 CO -0.00 0.59 0.15 1.23 -1.65 0.00 0.00 177.43 177.75 3ijp h GLY 241 N 0.50 0.67 0.60 2.83 0.00 -1.27 -1.34 103.07 105.06 3ijp h GLY 241 Ca 0.13 -0.38 0.08 0.00 0.00 0.00 0.00 47.33 47.17 3ijp h GLY 241 CO -0.01 0.36 0.53 0.00 0.00 0.00 0.00 176.54 177.42 3ijp h ALA 242 N 1.00 1.24 -0.39 3.60 0.00 -0.97 0.32 119.26 124.05 3ijp h ALA 242 Ca 0.14 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 3ijp h ALA 242 Cb 0.22 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3ijp h ALA 242 CO -0.01 0.20 -0.21 -0.07 0.00 0.00 0.00 179.25 179.16 3ijp h LEU 243 N 0.91 0.87 -0.38 0.00 3.38 -0.97 -1.14 115.31 117.98 3ijp h LEU 243 Ca 0.41 -0.41 0.07 0.00 0.09 0.00 0.00 57.88 58.03 3ijp h LEU 243 Cb 0.30 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.75 3ijp h LEU 243 CO -0.22 1.09 -0.01 0.11 0.09 0.00 0.00 178.44 179.50 3ijp h LYS 244 N 0.64 0.08 -0.85 1.13 1.79 -0.70 -0.09 116.57 118.58 3ijp h LYS 244 Ca 0.08 -0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.59 3ijp h LYS 244 Cb 0.77 -0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 31.35 3ijp h LYS 244 CO 0.06 0.05 0.54 0.00 -1.08 0.00 0.00 179.45 179.03 3ijp h ALA 245 N 1.34 1.14 -0.14 3.86 0.00 -0.66 -0.87 119.26 123.92 3ijp h ALA 245 Ca 0.19 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3ijp h ALA 245 Cb 0.27 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3ijp h ALA 245 CO -0.32 0.35 0.08 0.00 0.00 0.00 0.00 179.25 179.35 3ijp h ALA 246 N 1.37 0.18 -0.49 0.00 0.00 -0.55 0.15 119.26 119.92 3ijp h ALA 246 Ca 0.35 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 3ijp h ALA 246 Cb 0.06 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3ijp h ALA 246 CO -0.13 -0.28 0.13 -0.07 0.00 0.00 0.00 179.25 178.90 3ijp h LEU 247 N 0.13 0.67 -0.31 0.00 3.38 -0.70 -2.13 115.31 116.35 3ijp h LEU 247 Ca 0.05 -0.11 -0.18 0.00 0.09 0.00 0.00 57.88 57.73 3ijp h LEU 247 Cb 0.08 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.66 3ijp h LEU 247 CO -0.01 0.66 -0.53 -0.25 0.09 0.00 0.00 178.44 178.40 3ijp h TRP 248 N 0.71 1.11 -0.03 1.13 7.01 -1.00 -3.22 115.95 121.67 3ijp h TRP 248 Ca 0.16 -0.39 -0.08 0.00 2.11 0.00 0.00 58.89 60.69 3ijp h TRP 248 Cb 0.25 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 27.08 3ijp h TRP 248 CO 0.01 1.22 -0.35 0.00 -2.79 0.00 0.00 178.44 176.53 3ijp h ALA 249 N 0.70 1.37 -0.57 2.65 0.00 -0.40 -3.35 119.26 119.65 3ijp h ALA 249 Ca 0.02 -0.33 0.09 0.00 0.00 0.00 0.00 54.91 54.69 3ijp h ALA 249 Cb 1.14 -0.06 -0.11 0.00 0.00 0.00 0.00 17.79 18.76 3ijp h ALA 249 CO 0.12 0.47 -0.42 -0.22 0.00 0.00 0.00 179.25 179.20 3ijp h LYS 250 N 0.04 -0.21 -0.28 0.00 3.64 -1.40 -1.67 116.57 116.70 3ijp h LYS 250 Ca 0.00 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.34 3ijp h LYS 250 Cb 0.65 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.48 3ijp h LYS 250 CO 0.05 -0.14 -0.01 0.09 -2.27 0.00 0.00 179.45 177.16 3ijp n ASN 251 N -5.41 3.37 -4.89 4.20 4.13 -1.26 -4.98 115.26 110.41 3ijp n ASN 251 Ca 0.02 -3.25 -0.29 0.00 1.68 0.00 0.00 54.58 52.74 3ijp n ASN 251 Cb 0.35 -0.57 0.01 0.00 -1.54 0.00 0.00 39.78 38.03 3ijp n ASN 251 CO 0.00 0.00 0.00 -2.28 0.28 0.00 0.00 177.26 175.26 3ijp s HIS 252 N -2.96 3.56 0.86 3.10 2.46 -0.63 -5.05 115.29 116.63 3ijp s HIS 252 Ca 0.42 1.06 -0.11 0.00 0.47 0.00 0.00 55.06 56.90 3ijp s HIS 252 Cb 0.36 -2.59 0.11 0.00 -0.13 0.00 0.00 32.58 30.32 3ijp s HIS 252 CO 0.06 -0.58 1.09 -1.83 -2.47 0.00 0.00 174.74 171.01 3ijp s GLU 253 N -5.02 1.59 0.97 2.88 -1.05 -1.26 -4.86 118.70 111.94 3ijp s GLU 253 Ca 0.52 0.80 -0.11 0.00 -0.15 0.00 0.00 54.97 56.04 3ijp s GLU 253 Cb -0.11 -1.85 0.17 0.00 -0.44 0.00 0.00 34.13 31.91 3ijp s GLU 253 CO 0.50 -2.01 1.10 0.09 0.95 0.00 0.00 175.26 175.89 3ijp n ASN 254 N -3.72 -0.11 0.00 0.83 3.02 -1.26 -4.63 115.26 109.39 3ijp n ASN 254 Ca 0.07 0.31 0.00 0.00 -0.03 0.00 0.00 54.58 54.93 3ijp n ASN 254 Cb 0.55 -1.43 0.00 0.00 -0.61 0.00 0.00 39.78 38.29 3ijp n ASN 254 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ijp n GLY 255 N 0.45 1.86 3.39 7.41 0.00 -0.56 -4.89 105.19 112.84 3ijp n GLY 255 Ca 0.10 -1.76 -0.39 0.00 0.00 0.00 0.00 46.02 43.97 3ijp n GLY 255 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ijp s LEU 256 N 0.00 4.42 0.36 0.99 2.96 -1.26 -0.91 118.68 125.25 3ijp s LEU 256 Ca 0.00 -0.83 0.09 0.00 -0.22 0.00 0.00 54.13 53.17 3ijp s LEU 256 Cb 0.00 -1.99 -0.07 0.00 0.50 0.00 0.00 46.19 44.63 3ijp s LEU 256 CO 0.00 -0.30 -0.06 -0.31 -1.32 0.00 0.00 176.35 174.35 3ijp s TYR 257 N 1.56 2.44 0.50 5.38 2.02 0.56 -5.01 117.35 124.80 3ijp s TYR 257 Ca 0.03 -0.54 0.02 0.00 -0.37 0.00 0.00 57.07 56.20 3ijp s TYR 257 Cb -0.18 -1.49 -0.02 0.00 -0.40 0.00 0.00 41.96 39.87 3ijp s TYR 257 CO 0.06 0.54 0.01 -1.54 -1.57 0.00 0.00 175.55 173.05 3ijp s SER 258 N -3.64 4.06 0.54 2.29 1.04 -1.26 -0.85 113.70 115.87 3ijp s SER 258 Ca 0.33 -1.64 0.30 0.00 0.48 0.00 0.00 55.95 55.42 3ijp s SER 258 Cb 0.04 0.47 1.52 0.00 0.10 0.00 0.00 66.02 68.16 3ijp s SER 258 CO 0.17 -0.84 2.08 0.24 0.98 0.00 0.00 173.24 175.87 3ijp h MET 259 N 1.39 0.00 -0.72 4.02 2.86 -1.92 -2.06 114.93 118.50 3ijp h MET 259 Ca -0.44 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.24 3ijp h MET 259 Cb 1.31 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.92 3ijp h MET 259 CO 0.74 0.10 0.44 -0.07 1.06 0.00 0.00 176.91 179.18 3ijp h LEU 260 N 0.00 0.71 -0.47 1.22 3.38 -1.95 0.11 115.31 118.31 3ijp h LEU 260 Ca -0.00 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3ijp h LEU 260 Cb 0.35 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3ijp h LEU 260 CO 0.01 0.48 0.25 0.44 0.09 0.00 0.00 178.44 179.72 3ijp h ASP 261 N 0.85 0.60 -0.44 -0.43 3.32 -1.73 -1.08 116.42 117.51 3ijp h ASP 261 Ca 0.30 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3ijp h ASP 261 Cb 0.06 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 3ijp h ASP 261 CO -0.13 0.53 0.29 0.58 -1.72 0.00 0.00 179.24 178.79 3ijp h VAL 262 N 0.63 1.12 0.00 -1.35 2.07 -1.11 -2.04 116.25 115.56 3ijp h VAL 262 Ca 0.17 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.47 3ijp h VAL 262 Cb 0.07 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 3ijp h VAL 262 CO -0.03 0.11 -0.16 0.18 0.02 0.00 0.00 177.57 177.70 3ijp n LEU 263 N -4.47 0.54 0.00 2.57 4.77 -0.02 -4.95 117.00 115.44 3ijp n LEU 263 Ca 0.04 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 3ijp n LEU 263 Cb 0.06 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 3ijp n LEU 263 CO 0.35 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 3ijp n GLY 264 N 1.38 0.78 2.32 -0.72 0.00 -0.54 -5.01 105.19 103.41 3ijp n GLY 264 Ca 0.06 -0.61 -0.32 0.00 0.00 0.00 0.00 46.02 45.14 3ijp n GLY 264 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ijp n LEU 265 N 0.00 6.86 0.00 0.99 4.77 -0.52 -5.03 117.00 124.07 3ijp n LEU 265 Ca 0.00 -4.51 0.00 0.00 -0.03 0.00 0.00 56.01 51.47 3ijp n LEU 265 Cb 0.11 -0.81 0.00 0.00 -2.33 0.00 0.00 43.42 40.40 3ijp n LEU 265 CO 0.00 1.70 0.24 0.59 -1.33 0.00 0.00 177.39 178.58