#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 4.61 -0.22 -1.46 -2.45 -0.86 -4.79 119.30 114.12 3ijp s MET 1 Ca 0.00 1.44 -0.21 0.00 -1.25 0.00 0.00 55.69 55.67 3ijp s MET 1 Cb 0.00 -3.43 -0.02 0.00 1.25 0.00 0.00 34.83 32.63 3ijp s MET 1 CO 0.00 0.05 0.64 1.03 1.05 0.00 0.00 175.02 177.79 3ijp s ARG 2 N 0.61 4.17 0.05 4.11 0.52 -1.26 0.29 118.95 127.43 3ijp s ARG 2 Ca 0.50 0.60 0.05 0.00 -0.52 0.00 0.00 55.73 56.36 3ijp s ARG 2 Cb -0.22 -3.61 -0.02 0.00 0.52 0.00 0.00 34.95 31.61 3ijp s ARG 2 CO 0.29 -0.33 -0.15 -0.51 0.02 0.00 0.00 175.30 174.62 3ijp s LEU 3 N 2.21 2.19 -0.10 2.53 1.43 -0.11 -0.47 118.68 126.36 3ijp s LEU 3 Ca 0.28 -0.49 -0.00 0.00 -1.03 0.00 0.00 54.13 52.88 3ijp s LEU 3 Cb -0.16 -0.65 -0.03 0.00 0.03 0.00 0.00 46.19 45.39 3ijp s LEU 3 CO 0.09 0.04 -0.08 -0.89 0.23 0.00 0.00 176.35 175.74 3ijp s THR 4 N -0.90 3.54 -0.25 5.49 2.01 0.06 -1.44 115.64 124.14 3ijp s THR 4 Ca 0.02 -0.52 -0.08 0.00 0.31 0.00 0.00 61.69 61.43 3ijp s THR 4 Cb -0.08 -2.47 -0.03 0.00 0.01 0.00 0.00 72.50 69.92 3ijp s THR 4 CO 0.02 0.55 0.09 -0.69 -0.69 0.00 0.00 174.62 173.90 3ijp s VAL 5 N -0.25 4.49 0.45 3.82 1.01 -0.81 -0.67 120.40 128.44 3ijp s VAL 5 Ca 0.03 -0.11 0.08 0.00 0.00 0.00 0.00 61.98 61.98 3ijp s VAL 5 Cb -0.13 -3.10 0.02 0.00 0.00 0.00 0.00 36.38 33.17 3ijp s VAL 5 CO 0.03 0.33 0.60 0.68 0.00 0.00 0.00 175.10 176.74 3ijp s VAL 6 N 1.54 2.82 -1.58 2.92 -7.23 -0.98 -1.31 120.40 116.59 3ijp s VAL 6 Ca 0.06 -1.02 -0.12 0.00 -1.81 0.00 0.00 61.98 59.08 3ijp s VAL 6 Cb -0.15 -2.84 0.10 0.00 0.56 0.00 0.00 36.38 34.04 3ijp s VAL 6 CO 0.05 0.00 0.73 0.61 -0.31 0.00 0.00 175.10 176.18 3ijp n GLY 7 N -1.90 -0.39 0.21 2.32 0.00 -1.16 -4.60 105.19 99.66 3ijp n GLY 7 Ca 0.09 0.15 -0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 0.91 1.25 -0.00 4.61 0.00 -1.62 -0.82 119.26 123.58 3ijp h ALA 8 Ca -0.60 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 53.96 3ijp h ALA 8 Cb 1.38 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3ijp h ALA 8 CO 0.71 0.51 -0.06 0.27 0.00 0.00 0.00 179.25 180.69 3ijp n ASN 9 N -4.10 0.18 -4.12 0.00 2.04 -1.26 -2.21 115.26 105.79 3ijp n ASN 9 Ca -0.01 -0.25 -0.30 0.00 -0.44 0.00 0.00 54.58 53.58 3ijp n ASN 9 Cb 0.41 -0.21 0.20 0.00 -2.53 0.00 0.00 39.78 37.66 3ijp n ASN 9 CO 0.00 0.00 0.00 -0.83 -0.44 0.00 0.00 177.26 175.99 3ijp s GLY 10 N -2.58 1.64 0.08 4.83 0.00 -0.31 -4.75 107.32 106.22 3ijp s GLY 10 Ca 0.27 -0.92 -0.25 0.00 0.00 0.00 0.00 44.72 43.82 3ijp s GLY 10 CO 0.48 -0.14 1.69 3.21 0.00 0.00 0.00 173.10 178.34 3ijp h ARG 11 N -2.09 -0.18 -0.25 2.90 3.08 -1.90 -1.88 114.38 114.07 3ijp h ARG 11 Ca -0.46 0.01 -0.16 0.00 0.07 0.00 0.00 59.98 59.44 3ijp h ARG 11 Cb 1.28 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.37 3ijp h ARG 11 CO 0.41 -0.10 -0.49 0.52 -1.07 0.00 0.00 179.97 179.25 3ijp h MET 12 N -0.20 0.68 -0.29 0.04 2.86 -1.88 -2.48 114.93 113.66 3ijp h MET 12 Ca -0.02 -0.40 0.07 0.00 -2.06 0.00 0.00 59.70 57.29 3ijp h MET 12 Cb 0.16 0.03 -0.07 0.00 0.06 0.00 0.00 31.60 31.78 3ijp h MET 12 CO 0.03 1.02 -0.18 0.78 1.06 0.00 0.00 176.91 179.62 3ijp h GLY 13 N 0.94 0.03 1.22 8.32 0.00 -1.62 0.15 103.07 112.11 3ijp h GLY 13 Ca 0.03 0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.57 3ijp h GLY 13 CO 0.10 -0.18 0.43 3.21 0.00 0.00 0.00 176.54 180.11 3ijp h ARG 14 N -0.15 1.03 -0.37 4.80 3.08 -0.86 -2.08 114.38 119.84 3ijp h ARG 14 Ca 0.15 -0.10 -0.11 0.00 0.07 0.00 0.00 59.98 59.99 3ijp h ARG 14 Cb 0.38 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 3ijp h ARG 14 CO -0.38 0.74 -0.23 1.49 -1.07 0.00 0.00 179.97 180.52 3ijp h GLU 15 N 1.04 0.72 -0.55 0.04 4.57 -0.86 -1.36 114.58 118.19 3ijp h GLU 15 Ca 0.27 -0.29 -0.08 0.00 -1.18 0.00 0.00 59.36 58.08 3ijp h GLU 15 Cb -0.01 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.53 3ijp h GLU 15 CO -0.05 0.89 0.04 -0.07 -1.18 0.00 0.00 179.01 178.64 3ijp h LEU 16 N 0.63 0.91 -0.43 1.64 3.38 -0.32 -0.60 115.31 120.51 3ijp h LEU 16 Ca 0.09 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 3ijp h LEU 16 Cb 0.72 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 3ijp h LEU 16 CO 0.06 0.97 0.12 0.40 0.09 0.00 0.00 178.44 180.07 3ijp h ILE 17 N 0.82 1.23 -0.62 1.22 2.04 -1.07 -0.61 117.51 120.51 3ijp h ILE 17 Ca 0.16 -0.77 0.05 0.00 1.00 0.00 0.00 64.86 65.30 3ijp h ILE 17 Cb 0.47 0.91 -0.05 0.00 -0.74 0.00 0.00 36.82 37.41 3ijp h ILE 17 CO 0.02 0.27 0.34 0.74 0.00 0.00 0.00 178.15 179.52 3ijp h THR 18 N 0.56 0.98 -0.14 -0.27 2.02 -1.07 -1.93 112.91 113.06 3ijp h THR 18 Ca 0.14 -0.22 -0.16 0.00 0.77 0.00 0.00 66.41 66.94 3ijp h THR 18 Cb 0.29 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 3ijp h THR 18 CO -0.00 0.12 -0.58 0.00 0.37 0.00 0.00 175.52 175.43 3ijp h ALA 19 N 1.32 0.74 -0.44 6.16 0.00 -0.60 -2.91 119.26 123.53 3ijp h ALA 19 Ca 0.27 -0.53 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 3ijp h ALA 19 Cb 0.15 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3ijp h ALA 19 CO -0.17 0.70 -0.14 0.82 0.00 0.00 0.00 179.25 180.47 3ijp h ILE 20 N 0.34 1.26 0.00 0.00 2.04 -0.87 -3.10 117.51 117.18 3ijp h ILE 20 Ca -0.00 -1.23 -0.05 0.00 1.00 0.00 0.00 64.86 64.58 3ijp h ILE 20 Cb 1.11 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 38.25 3ijp h ILE 20 CO 0.10 0.42 -0.24 1.56 0.00 0.00 0.00 178.15 179.99 3ijp h GLN 21 N 0.74 0.00 -0.04 2.37 1.08 -1.16 -2.78 115.11 115.32 3ijp h GLN 21 Ca 0.12 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.32 3ijp h GLN 21 Cb 0.64 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.07 3ijp h GLN 21 CO 0.04 0.24 0.00 2.89 -0.95 0.00 0.00 178.83 181.06 3ijp n ARG 22 N -3.73 1.59 -4.38 1.46 1.85 -1.17 -4.91 116.66 107.36 3ijp n ARG 22 Ca -0.01 -0.86 -0.28 0.00 -1.00 0.00 0.00 57.85 55.69 3ijp n ARG 22 Cb 0.35 -1.46 -0.13 0.00 -1.05 0.00 0.00 32.46 30.17 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 1.38 0.02 2.89 0.52 -1.05 -5.04 118.95 115.71 3ijp s ARG 23 Ca 0.38 -1.34 0.18 0.00 -0.52 0.00 0.00 55.73 54.42 3ijp s ARG 23 Cb 0.20 -1.85 -0.17 0.00 0.52 0.00 0.00 34.95 33.65 3ijp s ARG 23 CO 0.32 0.44 0.70 0.36 0.02 0.00 0.00 175.30 177.13 3ijp n LYS 24 N 0.89 0.63 0.00 3.54 -0.00 -1.26 -4.34 118.16 117.62 3ijp n LYS 24 Ca -0.18 0.15 0.14 0.00 -0.00 0.00 0.00 58.31 58.42 3ijp n LYS 24 Cb 0.53 -1.74 0.57 0.00 -0.00 0.00 0.00 35.03 34.39 3ijp n LYS 24 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 3ijp n ASP 25 N -2.80 0.19 -4.11 -5.58 5.68 -1.26 -4.76 116.55 103.91 3ijp n ASP 25 Ca -0.12 0.04 -0.18 0.00 -0.50 0.00 0.00 54.79 54.03 3ijp n ASP 25 Cb 0.85 -0.24 -0.13 0.00 -1.14 0.00 0.00 41.12 40.46 3ijp n ASP 25 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 3ijp s VAL 26 N -2.83 0.95 -0.08 2.12 -7.23 -1.26 -2.04 120.40 110.03 3ijp s VAL 26 Ca 0.19 -0.95 0.03 0.00 -1.81 0.00 0.00 61.98 59.43 3ijp s VAL 26 Cb 0.19 -0.88 0.01 0.00 0.56 0.00 0.00 36.38 36.26 3ijp s VAL 26 CO 0.54 -0.06 -0.16 -0.70 -0.31 0.00 0.00 175.10 174.42 3ijp s GLU 27 N -1.14 2.16 -0.30 4.82 2.12 0.15 -4.83 118.70 121.68 3ijp s GLU 27 Ca -0.00 -0.56 -0.29 0.00 0.36 0.00 0.00 54.97 54.47 3ijp s GLU 27 Cb -0.08 -1.73 0.01 0.00 0.26 0.00 0.00 34.13 32.59 3ijp s GLU 27 CO 0.01 0.05 1.19 -1.17 -0.54 0.00 0.00 175.26 174.80 3ijp s LEU 28 N 0.64 3.93 -0.00 2.70 2.96 -1.26 -0.93 118.68 126.71 3ijp s LEU 28 Ca -0.14 1.17 0.05 0.00 -0.22 0.00 0.00 54.13 54.99 3ijp s LEU 28 Cb -0.16 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 42.93 3ijp s LEU 28 CO 0.04 -0.96 0.16 0.00 -1.32 0.00 0.00 176.35 174.28 3ijp s ALA 30 N -1.74 -1.63 -0.05 0.00 0.00 -1.23 -4.95 121.76 112.15 3ijp s ALA 30 Ca 0.01 0.85 -0.02 0.00 0.00 0.00 0.00 51.96 52.79 3ijp s ALA 30 Cb 0.03 0.45 0.03 0.00 0.00 0.00 0.00 23.12 23.63 3ijp s ALA 30 CO 0.19 -0.57 0.06 0.08 0.00 0.00 0.00 175.76 175.53 3ijp s VAL 31 N -2.50 -0.11 -0.13 0.00 1.01 -1.26 -1.92 120.40 115.49 3ijp s VAL 31 Ca -0.05 0.39 -0.03 0.00 0.00 0.00 0.00 61.98 62.29 3ijp s VAL 31 Cb -0.01 -0.18 -0.03 0.00 0.00 0.00 0.00 36.38 36.16 3ijp s VAL 31 CO -0.02 0.15 -0.03 -0.22 0.00 0.00 0.00 175.10 174.98 3ijp s LEU 32 N 2.17 3.33 0.33 3.92 2.96 -0.43 -1.30 118.68 129.66 3ijp s LEU 32 Ca 0.05 -0.05 0.04 0.00 -0.22 0.00 0.00 54.13 53.95 3ijp s LEU 32 Cb -0.12 -1.78 -0.06 0.00 0.50 0.00 0.00 46.19 44.72 3ijp s LEU 32 CO -0.03 0.24 0.06 0.68 -1.32 0.00 0.00 176.35 175.98 3ijp s VAL 33 N -0.08 1.22 0.69 1.68 -7.23 -0.78 -1.98 120.40 113.92 3ijp s VAL 33 Ca 0.02 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.04 3ijp s VAL 33 Cb -0.13 -2.80 0.02 0.00 0.56 0.00 0.00 36.38 34.03 3ijp s VAL 33 CO 0.02 0.00 1.16 -0.60 -0.31 0.00 0.00 175.10 175.37 3ijp s ARG 34 N -3.88 2.49 0.36 4.82 3.52 -1.26 -4.29 118.95 120.72 3ijp s ARG 34 Ca 0.36 1.58 -0.28 0.00 -0.13 0.00 0.00 55.73 57.25 3ijp s ARG 34 Cb 0.09 -1.90 -0.11 0.00 -1.56 0.00 0.00 34.95 31.47 3ijp s ARG 34 CO 0.16 -1.52 1.49 0.21 -0.81 0.00 0.00 175.30 174.82 3ijp s LYS 35 N -3.98 4.13 0.00 5.12 2.20 -1.26 -2.02 119.74 123.93 3ijp s LYS 35 Ca 0.71 2.55 0.00 0.00 -0.36 0.00 0.00 55.97 58.87 3ijp s LYS 35 Cb -0.25 -2.98 0.00 0.00 -1.51 0.00 0.00 37.83 33.09 3ijp s LYS 35 CO 0.43 -0.52 0.00 0.41 -0.36 0.00 0.00 175.35 175.31 3ijp n GLY 36 N 0.67 1.10 3.77 5.54 0.00 -1.26 -5.02 105.19 109.99 3ijp n GLY 36 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 3ijp n GLY 36 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ijp s SER 37 N -3.08 6.56 0.21 1.61 0.15 -0.86 -4.90 113.70 113.39 3ijp s SER 37 Ca 0.00 2.87 0.18 0.00 0.70 0.00 0.00 55.95 59.70 3ijp s SER 37 Cb 0.00 -2.66 0.87 0.00 -1.71 0.00 0.00 66.02 62.53 3ijp s SER 37 CO 0.00 -0.71 1.56 -1.54 1.20 0.00 0.00 173.24 173.76 3ijp n SER 38 N 0.69 0.45 0.03 5.45 3.41 -1.26 -2.10 113.62 120.29 3ijp n SER 38 Ca 0.01 0.66 0.14 0.00 -0.26 0.00 0.00 58.87 59.41 3ijp n SER 38 Cb 0.40 -0.74 0.56 0.00 -0.26 0.00 0.00 64.21 64.17 3ijp n SER 38 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3ijp n PHE 39 N -2.05 0.25 -1.90 7.33 3.72 -1.26 -4.83 117.46 118.71 3ijp n PHE 39 Ca 0.01 0.07 -0.42 0.00 -0.05 0.00 0.00 57.45 57.06 3ijp n PHE 39 Cb 0.12 -0.61 -0.02 0.00 -0.94 0.00 0.00 39.48 38.02 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 -3.03 2.39 0.00 -4.37 1.01 -0.89 -1.77 120.40 113.74 3ijp s VAL 40 Ca 0.13 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.43 3ijp s VAL 40 Cb 0.17 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.35 3ijp s VAL 40 CO 0.55 0.05 0.00 0.47 0.00 0.00 0.00 175.10 176.17 3ijp n ASP 41 N 2.54 0.00 -4.85 3.32 8.00 0.10 -4.98 116.55 120.68 3ijp n ASP 41 Ca 0.09 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.28 3ijp n ASP 41 Cb 0.39 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.53 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 -0.16 3.02 0.33 -1.24 1.02 -0.73 -4.64 119.74 117.34 3ijp s LYS 42 Ca 0.00 0.71 -0.27 0.00 0.02 0.00 0.00 55.97 56.43 3ijp s LYS 42 Cb 0.00 -2.02 -0.09 0.00 -0.52 0.00 0.00 37.83 35.20 3ijp s LYS 42 CO 0.00 -0.97 1.03 0.34 -0.92 0.00 0.00 175.35 174.83 3ijp s ASP 43 N -4.10 7.15 0.56 2.83 2.15 -1.26 -0.14 116.67 123.85 3ijp s ASP 43 Ca 0.57 2.05 0.27 0.00 0.43 0.00 0.00 52.55 55.88 3ijp s ASP 43 Cb -0.12 -2.60 1.47 0.00 -0.30 0.00 0.00 42.92 41.37 3ijp s ASP 43 CO 0.54 -0.21 1.98 0.00 -0.17 0.00 0.00 175.17 177.30 3ijp h ALA 44 N 3.25 2.32 -1.00 3.66 0.00 -0.76 -1.76 119.26 124.96 3ijp h ALA 44 Ca -0.47 -0.02 0.27 0.00 0.00 0.00 0.00 54.91 54.69 3ijp h ALA 44 Cb 1.21 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.97 3ijp h ALA 44 CO 0.65 -0.64 0.68 0.66 0.00 0.00 0.00 179.25 180.60 3ijp h SER 45 N 0.00 0.25 0.17 0.00 4.64 -1.84 0.20 113.55 116.97 3ijp h SER 45 Ca 0.23 0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.58 3ijp h SER 45 Cb 1.01 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.10 3ijp h SER 45 CO -0.00 0.07 -0.03 -0.29 -0.87 0.00 0.00 176.83 175.71 3ijp h ILE 46 N 0.23 0.31 0.00 0.95 2.10 -1.64 -0.84 117.51 118.62 3ijp h ILE 46 Ca 0.52 -0.17 -0.06 0.00 1.08 0.00 0.00 64.86 66.23 3ijp h ILE 46 Cb 1.62 1.12 -0.01 0.00 -1.09 0.00 0.00 36.82 38.46 3ijp h ILE 46 CO -0.15 0.03 -0.29 -0.07 -1.08 0.00 0.00 178.15 176.59 3ijp h LEU 47 N 0.00 0.00 -1.85 2.19 3.38 -1.17 -3.35 115.31 114.50 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 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3ijp h LEU 47 CO 0.00 0.29 0.00 2.30 0.09 0.00 0.00 178.44 181.13 3ijp n ILE 48 N -3.23 0.46 -2.11 1.22 -5.35 -0.94 -4.91 119.36 104.50 3ijp n ILE 48 Ca 0.02 -0.50 -0.15 0.00 -0.27 0.00 0.00 62.75 61.85 3ijp n ILE 48 Cb 0.59 0.84 -0.02 0.00 -1.74 0.00 0.00 39.64 39.31 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 -0.23 0.13 1.73 3.28 0.00 -0.36 -5.00 105.19 104.74 3ijp n GLY 49 Ca 0.00 -0.26 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.81 0.72 -4.79 1.61 3.41 -1.12 -5.05 113.62 107.59 3ijp n SER 50 Ca -0.17 -1.57 -0.34 0.00 -0.26 0.00 0.00 58.87 56.53 3ijp n SER 50 Cb 0.61 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 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 -2.73 5.82 -0.20 4.04 1.01 -1.26 -4.83 116.67 118.52 3ijp s ASP 51 Ca 0.29 1.96 -0.36 0.00 0.71 0.00 0.00 52.55 55.14 3ijp s ASP 51 Cb -0.02 -2.55 -0.17 0.00 1.01 0.00 0.00 42.92 41.19 3ijp s ASP 51 CO 0.19 -1.14 1.11 0.33 0.21 0.00 0.00 175.17 175.87 3ijp n PHE 52 N -1.62 0.99 0.60 4.23 7.35 -1.26 -4.71 117.46 123.04 3ijp n PHE 52 Ca 0.10 0.93 0.10 0.00 -0.76 0.00 0.00 57.45 57.81 3ijp n PHE 52 Cb 0.52 -1.81 -0.13 0.00 0.35 0.00 0.00 39.48 38.41 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 2.27 0.60 -2.33 -2.13 4.77 -1.26 -4.99 117.00 113.92 3ijp n LEU 53 Ca 0.21 -0.33 -0.18 0.00 -0.03 0.00 0.00 56.01 55.69 3ijp n LEU 53 Cb 0.01 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.12 3ijp n LEU 53 CO 0.63 0.15 -0.06 0.61 -1.33 0.00 0.00 177.39 177.38 3ijp n GLY 54 N 1.43 -0.31 2.90 -0.72 0.00 -1.26 -5.01 105.19 102.21 3ijp n GLY 54 Ca 0.01 -0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.00 1.22 -0.11 1.61 1.01 -1.26 -5.05 120.40 114.81 3ijp s VAL 55 Ca 0.17 -0.79 -0.24 0.00 0.00 0.00 0.00 61.98 61.12 3ijp s VAL 55 Cb -0.08 -1.42 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 3ijp s VAL 55 CO 0.22 0.06 0.75 -0.60 0.00 0.00 0.00 175.10 175.53 3ijp s ARG 56 N 1.57 4.37 0.23 2.72 3.52 -1.26 0.01 118.95 130.12 3ijp s ARG 56 Ca -0.01 0.93 -0.30 0.00 -0.13 0.00 0.00 55.73 56.22 3ijp s ARG 56 Cb -0.16 -3.51 -0.09 0.00 -1.56 0.00 0.00 34.95 29.63 3ijp s ARG 56 CO -0.07 -0.11 1.14 0.42 -0.81 0.00 0.00 175.30 175.87 3ijp s ILE 57 N 1.40 3.54 0.18 4.11 1.01 0.80 -4.57 121.20 127.67 3ijp s ILE 57 Ca 0.38 1.41 0.08 0.00 0.00 0.00 0.00 60.65 62.52 3ijp s ILE 57 Cb -0.17 -3.90 -0.04 0.00 0.01 0.00 0.00 42.46 38.35 3ijp s ILE 57 CO 0.16 0.28 -0.16 0.28 0.00 0.00 0.00 174.94 175.50 3ijp s THR 58 N -0.62 1.75 -0.73 2.92 -1.32 -0.42 -0.72 115.64 116.49 3ijp s THR 58 Ca 0.48 -2.06 0.15 0.00 -1.21 0.00 0.00 61.69 59.05 3ijp s THR 58 Cb -0.32 -1.92 0.48 0.00 -1.51 0.00 0.00 72.50 69.22 3ijp s THR 58 CO 0.39 -0.47 1.40 -0.90 -2.21 0.00 0.00 174.62 172.83 3ijp n ASP 59 N -0.05 3.67 -4.23 8.08 5.68 -1.26 -1.86 116.55 126.58 3ijp n ASP 59 Ca -0.11 -2.44 -0.36 0.00 -0.50 0.00 0.00 54.79 51.39 3ijp n ASP 59 Cb 0.59 -0.42 -0.13 0.00 -1.14 0.00 0.00 41.12 40.02 3ijp n ASP 59 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3ijp s ASP 60 N -1.29 4.87 0.32 -1.12 -1.08 -1.26 -4.57 116.67 112.54 3ijp s ASP 60 Ca 0.36 -1.06 0.01 0.00 -0.52 0.00 0.00 52.55 51.34 3ijp s ASP 60 Cb 0.24 -1.76 0.55 0.00 -1.46 0.00 0.00 42.92 40.50 3ijp s ASP 60 CO 0.16 -0.23 1.97 -0.65 0.52 0.00 0.00 175.17 176.94 3ijp h PRO 61 N 8.08 0.96 -0.82 4.34 0.11 -1.95 -0.24 132.00 142.48 3ijp h PRO 61 Ca -0.26 -0.06 0.07 0.00 0.11 0.00 0.00 66.00 65.86 3ijp h PRO 61 Cb 1.09 -0.22 -0.06 0.00 0.11 0.00 0.00 31.00 31.92 3ijp h PRO 61 CO 0.57 0.63 0.49 0.93 -0.21 0.00 0.00 178.00 180.41 3ijp h GLU 62 N 0.98 0.85 0.13 1.05 4.39 -1.95 0.13 114.58 120.16 3ijp h GLU 62 Ca 0.30 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.94 3ijp h GLU 62 Cb -0.02 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.45 3ijp h GLU 62 CO -0.08 0.56 -0.06 1.03 -1.16 0.00 0.00 179.01 179.30 3ijp h SER 63 N 0.87 -0.15 -0.52 1.42 0.87 -1.79 -2.84 113.55 111.41 3ijp h SER 63 Ca 0.37 -0.38 0.13 0.00 -1.23 0.00 0.00 61.79 60.67 3ijp h SER 63 Cb 0.23 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.20 3ijp h SER 63 CO -0.19 0.35 0.36 0.00 -0.53 0.00 0.00 176.83 176.82 3ijp h ALA 64 N 0.04 2.30 -0.58 6.23 0.00 -0.73 -1.94 119.26 124.57 3ijp h ALA 64 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3ijp h ALA 64 Cb 0.52 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3ijp h ALA 64 CO 0.03 -0.44 0.00 1.19 0.00 0.00 0.00 179.25 180.03 3ijp n PHE 65 N -4.43 0.99 0.04 0.00 3.72 0.43 -4.63 117.46 113.58 3ijp n PHE 65 Ca 0.09 -0.56 -0.07 0.00 -0.05 0.00 0.00 57.45 56.87 3ijp n PHE 65 Cb 0.49 -0.10 -0.12 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 3.48 0.00 -2.03 4.37 4.64 -1.09 -3.39 113.55 119.53 3ijp h SER 66 Ca 0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 3ijp h SER 66 Cb 1.08 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.77 3ijp h SER 66 CO 0.08 0.96 -1.12 -3.20 -0.87 0.00 0.00 176.83 172.68 3ijp n ASN 67 N -3.23 1.07 -3.97 4.97 2.85 -1.26 -5.09 115.26 110.60 3ijp n ASN 67 Ca -0.06 -3.01 -0.09 0.00 -0.11 0.00 0.00 54.58 51.31 3ijp n ASN 67 Cb 0.96 -0.62 -0.08 0.00 1.24 0.00 0.00 39.78 41.28 3ijp n ASN 67 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 3ijp s THR 68 N -2.34 0.12 -0.48 -0.44 -1.32 -1.26 -4.96 115.64 104.95 3ijp s THR 68 Ca 0.40 -1.45 0.14 0.00 -1.21 0.00 0.00 61.69 59.58 3ijp s THR 68 Cb 0.30 -1.65 -0.18 0.00 -1.51 0.00 0.00 72.50 69.47 3ijp s THR 68 CO -0.09 -0.54 0.53 -0.62 -2.21 0.00 0.00 174.62 171.68 3ijp n GLU 69 N -0.10 1.72 -3.50 7.08 1.02 0.38 -5.01 120.64 122.24 3ijp n GLU 69 Ca -0.11 -0.04 -0.10 0.00 -0.02 0.00 0.00 57.16 56.89 3ijp n GLU 69 Cb 0.63 -1.23 -0.03 0.00 -0.02 0.00 0.00 31.44 30.79 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 -2.75 -0.47 -0.19 0.62 0.00 -1.10 -3.09 107.32 100.34 3ijp s GLY 70 Ca 0.02 1.12 -0.02 0.00 0.00 0.00 0.00 44.72 45.84 3ijp s GLY 70 CO 0.60 0.48 -0.09 -0.42 0.00 0.00 0.00 173.10 173.67 3ijp s ILE 71 N -2.71 3.07 -0.29 0.90 1.01 0.40 -0.76 121.20 122.82 3ijp s ILE 71 Ca 0.02 -0.61 -0.11 0.00 0.00 0.00 0.00 60.65 59.95 3ijp s ILE 71 Cb -0.01 -2.36 -0.04 0.00 0.01 0.00 0.00 42.46 40.06 3ijp s ILE 71 CO -0.06 0.47 0.19 -0.76 0.00 0.00 0.00 174.94 174.77 3ijp s LEU 72 N 1.21 4.06 -0.31 2.97 1.43 0.15 -0.34 118.68 127.86 3ijp s LEU 72 Ca 0.02 -0.14 -0.02 0.00 -1.03 0.00 0.00 54.13 52.96 3ijp s LEU 72 Cb -0.14 -2.10 0.11 0.00 0.03 0.00 0.00 46.19 44.09 3ijp s LEU 72 CO -0.03 -0.09 0.14 -0.62 0.23 0.00 0.00 176.35 175.98 3ijp s ASP 73 N 1.73 3.56 -0.42 2.29 2.15 -0.25 -2.31 116.67 123.43 3ijp s ASP 73 Ca 0.07 -1.58 0.00 0.00 0.43 0.00 0.00 52.55 51.46 3ijp s ASP 73 Cb -0.16 -0.51 0.12 0.00 -0.30 0.00 0.00 42.92 42.06 3ijp s ASP 73 CO 0.10 -0.40 0.19 -0.36 -0.17 0.00 0.00 175.17 174.52 3ijp s PHE 74 N 1.73 3.59 0.00 -5.34 0.40 -1.26 -0.55 117.98 116.55 3ijp s PHE 74 Ca 0.11 -2.72 0.00 0.00 -0.60 0.00 0.00 56.93 53.72 3ijp s PHE 74 Cb -0.18 -3.09 0.00 0.00 0.51 0.00 0.00 43.02 40.26 3ijp s PHE 74 CO -0.26 -0.93 0.00 -1.13 0.70 0.00 0.00 175.22 173.60 3ijp n SER 75 N 4.20 0.00 -3.63 1.36 3.41 -1.26 -4.51 113.62 113.18 3ijp n SER 75 Ca 0.02 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.48 3ijp n SER 75 Cb 0.40 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.28 3ijp n SER 75 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3ijp s GLN 76 N 0.67 0.81 0.30 4.33 -0.44 -1.26 -4.94 119.66 119.13 3ijp s GLN 76 Ca 0.00 0.64 0.01 0.00 -2.50 0.00 0.00 55.36 53.51 3ijp s GLN 76 Cb 0.00 0.39 0.53 0.00 -1.64 0.00 0.00 33.01 32.29 3ijp s GLN 76 CO 0.00 -0.15 1.89 -1.35 0.50 0.00 0.00 175.29 176.18 3ijp h PRO 77 N 4.52 1.00 -0.43 1.67 0.11 -1.90 -0.42 132.00 136.55 3ijp h PRO 77 Ca -0.28 -0.06 -0.14 0.00 0.11 0.00 0.00 66.00 65.63 3ijp h PRO 77 Cb 1.16 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 3ijp h PRO 77 CO 0.20 0.66 -0.28 1.96 -0.21 0.00 0.00 178.00 180.33 3ijp h GLN 78 N 1.03 0.96 -0.64 1.05 7.50 -1.97 -2.33 115.11 120.70 3ijp h GLN 78 Ca 0.41 -0.45 -0.00 0.00 0.50 0.00 0.00 58.65 59.11 3ijp h GLN 78 Cb 0.26 -0.01 -0.03 0.00 0.05 0.00 0.00 27.48 27.74 3ijp h GLN 78 CO -0.17 1.11 0.39 0.00 -1.50 0.00 0.00 178.83 178.67 3ijp h ALA 79 N 0.82 0.82 -0.25 3.87 0.00 -1.80 -2.45 119.26 120.27 3ijp h ALA 79 Ca 0.09 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 3ijp h ALA 79 Cb 0.86 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3ijp h ALA 79 CO 0.08 0.29 -0.33 0.77 0.00 0.00 0.00 179.25 180.06 3ijp h SER 80 N 0.87 0.55 -0.53 0.00 0.02 -0.93 0.08 113.55 113.62 3ijp h SER 80 Ca 0.23 -0.22 -0.04 0.00 -0.84 0.00 0.00 61.79 60.92 3ijp h SER 80 Cb -0.03 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 3ijp h SER 80 CO -0.04 0.85 0.17 0.58 -1.14 0.00 0.00 176.83 177.25 3ijp h VAL 81 N 0.46 1.23 -0.52 2.27 2.07 -1.30 -0.05 116.25 120.40 3ijp h VAL 81 Ca 0.05 -0.77 0.04 0.00 0.82 0.00 0.00 66.70 66.84 3ijp h VAL 81 Cb 0.80 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 3ijp h VAL 81 CO 0.07 0.29 0.28 0.25 0.02 0.00 0.00 177.57 178.47 3ijp h LEU 82 N 0.74 0.42 -0.82 2.57 5.85 -0.94 -1.38 115.31 121.74 3ijp h LEU 82 Ca 0.17 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.82 3ijp h LEU 82 Cb 0.27 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 3ijp h LEU 82 CO -0.01 0.29 -0.47 1.88 -0.34 0.00 0.00 178.44 179.79 3ijp h TYR 83 N 0.54 0.00 -0.36 1.25 0.05 -0.69 -2.42 116.97 115.34 3ijp h TYR 83 Ca 0.22 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.89 3ijp h TYR 83 Cb 0.10 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.83 3ijp h TYR 83 CO -0.09 0.47 -0.24 0.00 -1.05 0.00 0.00 178.16 177.25 3ijp h ALA 84 N 1.53 0.89 -0.40 3.88 0.00 -0.32 0.11 119.26 124.95 3ijp h ALA 84 Ca -0.00 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.55 3ijp h ALA 84 Cb 1.00 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 3ijp h ALA 84 CO 0.06 0.62 0.23 -0.97 0.00 0.00 0.00 179.25 179.20 3ijp h ASN 85 N 0.64 0.38 -0.62 0.00 -1.24 -0.86 0.22 115.58 114.10 3ijp h ASN 85 Ca 0.09 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.10 3ijp h ASN 85 Cb 0.74 -0.08 -0.03 0.00 0.73 0.00 0.00 38.32 39.69 3ijp h ASN 85 CO 0.06 0.27 0.39 1.88 -1.29 0.00 0.00 177.43 178.75 3ijp h TYR 86 N 0.48 0.79 -0.54 0.67 -1.99 -1.17 0.92 116.97 116.13 3ijp h TYR 86 Ca 0.16 0.01 0.05 0.00 2.00 0.00 0.00 58.73 60.95 3ijp h TYR 86 Cb 0.01 -0.27 -0.05 0.00 2.00 0.00 0.00 36.73 38.43 3ijp h TYR 86 CO -0.07 0.52 0.27 0.00 -0.00 0.00 0.00 178.16 178.87 3ijp h ALA 87 N 1.21 0.70 0.09 3.88 0.00 -0.35 0.34 119.26 125.13 3ijp h ALA 87 Ca 0.22 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 3ijp h ALA 87 Cb -0.06 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3ijp h ALA 87 CO -0.05 -0.09 -0.05 0.00 0.00 0.00 0.00 179.25 179.07 3ijp h ALA 88 N 1.30 -0.12 -0.91 0.00 0.00 0.08 -1.16 119.26 118.45 3ijp h ALA 88 Ca 0.24 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 3ijp h ALA 88 Cb 0.17 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3ijp h ALA 88 CO -0.18 -0.57 0.56 1.96 0.00 0.00 0.00 179.25 181.02 3ijp h GLN 89 N -0.13 1.23 -0.60 0.00 4.20 -0.41 -2.91 115.11 116.49 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 0.10 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 27.62 3ijp h GLN 89 CO 0.01 0.85 0.00 1.63 -0.67 0.00 0.00 178.83 180.65 3ijp n LYS 90 N -4.37 2.73 -3.85 1.46 5.02 0.07 -4.98 118.16 114.25 3ijp n LYS 90 Ca 0.10 -2.45 -0.26 0.00 -2.02 0.00 0.00 58.31 53.68 3ijp n LYS 90 Cb 0.05 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.59 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 1.30 -1.51 -4.74 4.39 7.64 -0.53 -5.00 113.62 115.17 3ijp n SER 91 Ca 0.20 -0.97 -0.32 0.00 1.01 0.00 0.00 58.87 58.79 3ijp n SER 91 Cb 0.56 -3.31 -0.07 0.00 -1.01 0.00 0.00 64.21 60.38 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 -6.81 3.71 0.47 -3.43 1.43 -0.66 -5.01 118.68 108.38 3ijp s LEU 92 Ca 0.10 0.02 -0.22 0.00 -1.03 0.00 0.00 54.13 53.00 3ijp s LEU 92 Cb -0.04 -2.25 -0.08 0.00 0.03 0.00 0.00 46.19 43.85 3ijp s LEU 92 CO 0.87 0.23 1.09 0.27 0.23 0.00 0.00 176.35 179.04 3ijp s ILE 93 N -1.24 3.50 -0.16 -0.59 -0.00 -1.18 -4.47 121.20 117.07 3ijp s ILE 93 Ca 0.24 1.02 -0.01 0.00 -0.00 0.00 0.00 60.65 61.90 3ijp s ILE 93 Cb -0.12 -3.47 0.04 0.00 -0.00 0.00 0.00 42.46 38.92 3ijp s ILE 93 CO 0.16 -0.12 -0.02 -2.28 -0.00 0.00 0.00 174.94 172.68 3ijp s HIS 94 N -1.77 1.40 -0.45 1.37 2.46 -0.80 -0.45 115.29 117.05 3ijp s HIS 94 Ca 0.65 -0.90 -0.18 0.00 0.47 0.00 0.00 55.06 55.11 3ijp s HIS 94 Cb -0.22 -1.17 0.03 0.00 -0.13 0.00 0.00 32.58 31.10 3ijp s HIS 94 CO 0.26 -0.57 0.49 0.42 -2.47 0.00 0.00 174.74 172.87 3ijp s ILE 95 N 1.73 5.04 -0.37 0.89 -1.09 0.54 -1.57 121.20 126.38 3ijp s ILE 95 Ca 0.01 -0.42 -0.09 0.00 -2.23 0.00 0.00 60.65 57.92 3ijp s ILE 95 Cb -0.15 -4.12 0.04 0.00 -1.58 0.00 0.00 42.46 36.65 3ijp s ILE 95 CO -0.07 -0.53 0.18 -0.63 -1.23 0.00 0.00 174.94 172.65 3ijp s ILE 96 N 2.24 4.24 -0.25 2.92 1.01 -0.24 -1.09 121.20 130.04 3ijp s ILE 96 Ca 0.13 -1.03 0.22 0.00 0.00 0.00 0.00 60.65 59.97 3ijp s ILE 96 Cb -0.18 -3.41 -0.25 0.00 0.01 0.00 0.00 42.46 38.63 3ijp s ILE 96 CO 0.13 -0.25 0.69 0.61 0.00 0.00 0.00 174.94 176.12 3ijp n GLY 97 N 4.92 -1.10 3.56 6.18 0.00 0.28 -1.91 105.19 117.13 3ijp n GLY 97 Ca -0.12 -0.47 -0.40 0.00 0.00 0.00 0.00 46.02 45.03 3ijp n GLY 97 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ijp n THR 98 N -2.20 2.50 -4.36 2.61 -1.04 -1.16 -4.67 114.28 105.97 3ijp n THR 98 Ca -0.02 -0.50 -0.18 0.00 -2.04 0.00 0.00 64.05 61.31 3ijp n THR 98 Cb 0.52 -0.96 -0.10 0.00 -1.82 0.00 0.00 70.33 67.97 3ijp n THR 98 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3ijp s THR 99 N -1.42 1.16 0.00 12.58 -4.23 -1.26 -4.79 115.64 117.68 3ijp s THR 99 Ca 0.66 -2.05 0.00 0.00 -1.18 0.00 0.00 61.69 59.12 3ijp s THR 99 Cb -0.53 -2.39 0.00 0.00 1.34 0.00 0.00 72.50 70.92 3ijp s THR 99 CO 0.55 -0.30 0.00 0.61 -0.54 0.00 0.00 174.62 174.94 3ijp n GLY 100 N -0.47 0.98 3.77 3.99 0.00 -1.26 -4.52 105.19 107.68 3ijp n GLY 100 Ca -0.05 -0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 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 2.91 0.93 1.61 0.08 -1.26 -4.88 117.98 115.37 3ijp s PHE 101 Ca 0.00 1.49 -0.15 0.00 0.12 0.00 0.00 56.93 58.39 3ijp s PHE 101 Cb 0.00 -3.51 0.17 0.00 -0.57 0.00 0.00 43.02 39.11 3ijp s PHE 101 CO 0.00 -1.70 1.26 -1.54 -0.10 0.00 0.00 175.22 173.15 3ijp s SER 102 N -1.02 3.40 0.10 1.36 1.04 -1.26 -4.89 113.70 112.43 3ijp s SER 102 Ca 0.59 0.46 -0.15 0.00 0.48 0.00 0.00 55.95 57.33 3ijp s SER 102 Cb -0.33 -0.66 -0.06 0.00 0.10 0.00 0.00 66.02 65.06 3ijp s SER 102 CO 0.42 -2.57 1.47 0.07 0.98 0.00 0.00 173.24 173.61 3ijp h LYS 103 N -1.53 0.68 -0.78 4.02 -0.00 -1.99 -1.57 116.57 115.41 3ijp h LYS 103 Ca -0.45 -0.30 0.05 0.00 -0.00 0.00 0.00 60.65 59.94 3ijp h LYS 103 Cb 1.27 -0.02 -0.05 0.00 -0.00 0.00 0.00 32.23 33.43 3ijp h LYS 103 CO 0.47 0.90 0.48 1.15 -0.00 0.00 0.00 179.45 182.45 3ijp h THR 104 N 0.45 1.06 -0.47 0.07 2.02 -1.99 0.18 112.91 114.23 3ijp h THR 104 Ca 0.07 -0.31 -0.03 0.00 0.77 0.00 0.00 66.41 66.91 3ijp h THR 104 Cb 0.70 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 3ijp h THR 104 CO 0.05 0.16 0.17 -0.33 0.37 0.00 0.00 175.52 175.94 3ijp h GLU 105 N 0.90 0.71 -0.55 6.66 5.08 -1.87 -0.40 114.58 125.12 3ijp h GLU 105 Ca 0.33 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.52 3ijp h GLU 105 Cb 0.11 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 3ijp h GLU 105 CO -0.15 0.66 0.23 0.93 -1.00 0.00 0.00 179.01 179.69 3ijp h GLU 106 N 0.62 0.79 -0.59 2.33 5.08 -0.96 -0.88 114.58 120.97 3ijp h GLU 106 Ca 0.15 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 3ijp h GLU 106 Cb 0.23 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 3ijp h GLU 106 CO -0.01 0.64 0.09 0.00 -1.00 0.00 0.00 179.01 178.73 3ijp h ALA 107 N 1.48 1.04 -0.42 3.43 0.00 -0.04 -1.65 119.26 123.10 3ijp h ALA 107 Ca 0.19 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 3ijp h ALA 107 Cb 0.13 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3ijp h ALA 107 CO -0.02 0.61 -0.19 1.96 0.00 0.00 0.00 179.25 181.61 3ijp h GLN 108 N 0.91 0.87 -0.87 0.00 4.20 -0.43 -1.80 115.11 117.98 3ijp h GLN 108 Ca 0.18 -0.38 -0.01 0.00 0.06 0.00 0.00 58.65 58.51 3ijp h GLN 108 Cb 0.40 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.11 3ijp h GLN 108 CO 0.01 1.02 0.51 0.82 -0.67 0.00 0.00 178.83 180.51 3ijp h ILE 109 N 0.69 1.25 -0.46 2.54 2.04 -1.03 -0.48 117.51 122.05 3ijp h ILE 109 Ca 0.09 -0.57 -0.01 0.00 1.00 0.00 0.00 64.86 65.38 3ijp h ILE 109 Cb 0.75 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 3ijp h ILE 109 CO 0.06 0.27 0.25 0.00 0.00 0.00 0.00 178.15 178.72 3ijp h ALA 110 N 1.35 0.58 -0.39 1.87 0.00 -1.05 -1.60 119.26 120.02 3ijp h ALA 110 Ca 0.31 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.21 3ijp h ALA 110 Cb -0.02 -0.18 -0.08 0.00 0.00 0.00 0.00 17.79 17.51 3ijp h ALA 110 CO -0.06 0.11 -0.16 -0.44 0.00 0.00 0.00 179.25 178.70 3ijp h ASP 111 N 0.60 -0.57 0.19 0.00 3.45 -0.66 -1.83 116.42 117.60 3ijp h ASP 111 Ca 0.16 0.14 -0.02 0.00 0.43 0.00 0.00 57.03 57.74 3ijp h ASP 111 Cb 0.06 0.32 -0.00 0.00 -0.56 0.00 0.00 39.33 39.15 3ijp h ASP 111 CO -0.03 -0.20 -0.11 -0.26 -1.57 0.00 0.00 179.24 177.08 3ijp h PHE 112 N -0.09 0.00 0.00 4.55 0.04 -0.65 -1.04 116.94 119.75 3ijp h PHE 112 Ca 0.19 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.96 3ijp h PHE 112 Cb 0.38 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.53 3ijp h PHE 112 CO -0.40 0.11 0.00 0.00 -0.60 0.00 0.00 178.31 177.41 3ijp n ALA 113 N -2.39 1.59 0.26 2.45 0.00 -0.64 -1.72 120.51 120.05 3ijp n ALA 113 Ca -0.02 0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.62 3ijp n ALA 113 Cb 0.20 -1.36 0.70 0.00 0.00 0.00 0.00 19.45 18.99 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 -1.16 -1.83 116.57 115.15 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 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3ijp h LYS 114 CO 0.00 0.13 -0.41 0.66 -0.57 0.00 0.00 179.45 179.26 3ijp n TYR 115 N -3.58 0.00 -3.83 -1.35 4.01 -0.70 -4.87 117.16 106.83 3ijp n TYR 115 Ca -0.01 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.62 3ijp n TYR 115 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.30 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 -1.18 0.00 -3.61 -0.72 5.66 -1.16 -4.78 114.28 108.48 3ijp n THR 116 Ca 0.02 -1.19 -0.38 0.00 -3.05 0.00 0.00 64.05 59.45 3ijp n THR 116 Cb 0.14 0.92 -0.11 0.00 -1.55 0.00 0.00 70.33 69.73 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 -2.46 5.18 -0.13 1.09 2.01 -1.26 -1.56 115.64 118.52 3ijp s THR 117 Ca 0.19 0.13 0.01 0.00 0.31 0.00 0.00 61.69 62.33 3ijp s THR 117 Cb -0.03 -3.46 0.02 0.00 0.01 0.00 0.00 72.50 69.04 3ijp s THR 117 CO 0.14 0.27 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.56 3ijp s ILE 118 N 1.71 1.51 -0.35 1.82 1.01 -0.21 -1.90 121.20 124.79 3ijp s ILE 118 Ca 0.07 -0.62 -0.11 0.00 0.00 0.00 0.00 60.65 59.99 3ijp s ILE 118 Cb -0.16 -1.41 0.01 0.00 0.01 0.00 0.00 42.46 40.92 3ijp s ILE 118 CO 0.10 0.45 0.19 -0.69 0.00 0.00 0.00 174.94 174.98 3ijp s VAL 119 N 1.26 4.64 -0.15 2.92 1.01 -0.61 -0.79 120.40 128.69 3ijp s VAL 119 Ca -0.00 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.35 3ijp s VAL 119 Cb -0.14 -3.48 -0.00 0.00 0.00 0.00 0.00 36.38 32.75 3ijp s VAL 119 CO -0.06 -0.09 -0.15 -0.75 0.00 0.00 0.00 175.10 174.05 3ijp s LYS 120 N 1.59 3.26 -0.22 2.72 2.20 0.33 -1.08 119.74 128.53 3ijp s LYS 120 Ca 0.03 -0.73 -0.17 0.00 -0.36 0.00 0.00 55.97 54.74 3ijp s LYS 120 Cb -0.18 -2.63 0.06 0.00 -1.51 0.00 0.00 37.83 33.57 3ijp s LYS 120 CO 0.07 0.06 0.57 0.45 -0.36 0.00 0.00 175.35 176.14 3ijp s SER 121 N 0.72 -0.65 0.00 1.43 0.15 -0.80 -4.40 113.70 110.14 3ijp s SER 121 Ca -0.07 1.18 0.23 0.00 0.70 0.00 0.00 55.95 58.00 3ijp s SER 121 Cb -0.15 1.15 1.18 0.00 -1.71 0.00 0.00 66.02 66.48 3ijp s SER 121 CO 0.01 -0.21 1.76 0.61 1.20 0.00 0.00 173.24 176.62 3ijp n GLY 122 N 3.33 -1.03 3.38 9.45 0.00 -1.26 -4.38 105.19 114.68 3ijp n GLY 122 Ca -0.17 -0.11 -0.07 0.00 0.00 0.00 0.00 46.02 45.68 3ijp n GLY 122 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ijp s ASN 123 N -2.54 -0.52 0.00 1.61 3.84 -1.26 -4.00 114.94 112.07 3ijp s ASN 123 Ca 0.23 1.16 0.28 0.00 0.21 0.00 0.00 52.86 54.74 3ijp s ASN 123 Cb 0.15 1.58 1.13 0.00 -0.55 0.00 0.00 41.25 43.56 3ijp s ASN 123 CO 0.35 -0.23 1.79 0.23 -2.79 0.00 0.00 177.10 176.45 3ijp n MET 124 N 5.32 1.25 -2.78 0.43 2.81 -1.26 -4.81 117.12 118.07 3ijp n MET 124 Ca -0.10 -0.62 -0.36 0.00 -1.81 0.00 0.00 57.70 54.80 3ijp n MET 124 Cb 0.50 -1.49 -0.06 0.00 -0.71 0.00 0.00 33.22 31.46 3ijp n MET 124 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 3ijp s SER 125 N -2.18 7.28 0.23 7.83 1.04 -1.26 -4.30 113.70 122.33 3ijp s SER 125 Ca 0.35 1.82 -0.07 0.00 0.48 0.00 0.00 55.95 58.53 3ijp s SER 125 Cb 0.21 -2.57 0.30 0.00 0.10 0.00 0.00 66.02 64.05 3ijp s SER 125 CO 0.40 -0.11 1.82 0.25 0.98 0.00 0.00 173.24 176.58 3ijp h LEU 126 N 3.00 0.64 -0.77 2.42 5.85 -1.91 -3.06 115.31 121.48 3ijp h LEU 126 Ca -0.47 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.24 3ijp h LEU 126 Cb 1.19 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.09 3ijp h LEU 126 CO 0.64 0.40 0.30 1.23 -0.34 0.00 0.00 178.44 180.67 3ijp h GLY 127 N 0.77 1.24 1.21 3.75 0.00 -1.99 -1.78 103.07 106.28 3ijp h GLY 127 Ca 0.34 -0.68 -0.15 0.00 0.00 0.00 0.00 47.33 46.84 3ijp h GLY 127 CO -0.20 0.64 -0.35 -2.08 0.00 0.00 0.00 176.54 174.55 3ijp h VAL 128 N 1.12 1.28 -0.40 4.60 2.07 -1.94 0.30 116.25 123.28 3ijp h VAL 128 Ca 0.26 -1.52 -0.11 0.00 0.82 0.00 0.00 66.70 66.15 3ijp h VAL 128 Cb 0.23 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 3ijp h VAL 128 CO -0.02 0.51 -0.19 0.78 0.02 0.00 0.00 177.57 178.67 3ijp h ASN 129 N 0.72 0.76 -0.62 0.57 2.35 -1.37 0.19 115.58 118.18 3ijp h ASN 129 Ca 0.07 -0.26 -0.06 0.00 -0.55 0.00 0.00 56.30 55.50 3ijp h ASN 129 Cb 0.92 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 39.06 3ijp h ASN 129 CO 0.09 0.94 0.14 0.25 -1.65 0.00 0.00 177.43 177.20 3ijp h LEU 130 N 0.67 0.96 -0.95 1.61 5.85 -1.26 -3.05 115.31 119.13 3ijp h LEU 130 Ca 0.10 -0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.59 3ijp h LEU 130 Cb 0.68 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.41 3ijp h LEU 130 CO 0.05 0.95 0.62 0.25 -0.34 0.00 0.00 178.44 179.97 3ijp h LEU 131 N 0.92 1.11 -0.84 2.25 5.85 -0.35 -1.79 115.31 122.46 3ijp h LEU 131 Ca 0.19 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 3ijp h LEU 131 Cb 0.37 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 3ijp h LEU 131 CO 0.00 0.81 0.44 0.00 -0.34 0.00 0.00 178.44 179.36 3ijp h ALA 132 N 1.34 1.08 -0.70 1.25 0.00 -0.89 0.70 119.26 122.04 3ijp h ALA 132 Ca 0.35 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.14 3ijp h ALA 132 Cb -0.13 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.29 3ijp h ALA 132 CO -0.07 0.60 0.45 -0.97 0.00 0.00 0.00 179.25 179.26 3ijp h ASN 133 N 1.17 0.76 -0.00 0.00 -0.73 -1.32 -1.66 115.58 113.80 3ijp h ASN 133 Ca 0.29 -0.01 -0.14 0.00 1.87 0.00 0.00 56.30 58.31 3ijp h ASN 133 Cb 0.06 -0.18 -0.01 0.00 0.27 0.00 0.00 38.32 38.47 3ijp h ASN 133 CO -0.04 0.54 -0.45 -0.07 -0.37 0.00 0.00 177.43 177.04 3ijp h LEU 134 N 0.90 0.58 -0.56 0.34 3.38 -0.46 -2.30 115.31 117.18 3ijp h LEU 134 Ca 0.27 -0.27 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 3ijp h LEU 134 Cb -0.04 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3ijp h LEU 134 CO -0.08 0.94 -0.03 0.58 0.09 0.00 0.00 178.44 179.94 3ijp h VAL 135 N 0.44 1.27 -0.02 1.22 2.07 -0.72 0.16 116.25 120.67 3ijp h VAL 135 Ca 0.03 -1.16 -0.00 0.00 0.82 0.00 0.00 66.70 66.39 3ijp h VAL 135 Cb 0.95 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 31.62 3ijp h VAL 135 CO 0.08 0.41 0.01 0.50 0.02 0.00 0.00 177.57 178.60 3ijp h LYS 136 N 0.88 0.03 -0.97 1.57 3.64 -1.08 0.13 116.57 120.77 3ijp h LYS 136 Ca 0.15 -0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.57 3ijp h LYS 136 Cb 0.58 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.33 3ijp h LYS 136 CO 0.03 0.05 0.63 0.00 -2.27 0.00 0.00 179.45 177.90 3ijp h ARG 137 N 0.00 1.19 -0.46 1.90 3.08 -1.33 -1.75 114.38 117.01 3ijp h ARG 137 Ca 0.01 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 3ijp h ARG 137 Cb 0.03 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 29.79 3ijp h ARG 137 CO -0.00 0.79 0.12 0.00 -1.07 0.00 0.00 179.97 179.81 3ijp h ALA 138 N 1.40 0.61 0.00 0.04 0.00 -0.59 -0.96 119.26 119.76 3ijp h ALA 138 Ca 0.39 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 3ijp h ALA 138 Cb -0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3ijp h ALA 138 CO -0.12 0.29 -0.15 0.00 0.00 0.00 0.00 179.25 179.27 3ijp h ALA 139 N 0.98 1.05 0.16 0.00 0.00 -0.22 -0.70 119.26 120.53 3ijp h ALA 139 Ca 0.15 -0.14 -0.30 0.00 0.00 0.00 0.00 54.91 54.62 3ijp h ALA 139 Cb 0.31 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.08 3ijp h ALA 139 CO -0.00 0.19 -1.41 -0.22 0.00 0.00 0.00 179.25 177.80 3ijp h LYS 140 N 0.00 0.34 0.00 0.00 3.64 -1.07 -3.36 116.57 116.13 3ijp h LYS 140 Ca -0.00 -0.58 -0.17 0.00 -1.27 0.00 0.00 60.65 58.63 3ijp h LYS 140 Cb 0.61 0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.63 3ijp h LYS 140 CO 0.02 1.25 -0.80 0.00 -2.27 0.00 0.00 179.45 177.66 3ijp h ALA 141 N 0.42 0.65 -3.01 5.00 0.00 -0.55 -3.42 119.26 118.36 3ijp h ALA 141 Ca -0.21 -0.73 -0.65 0.00 0.00 0.00 0.00 54.91 53.33 3ijp h ALA 141 Cb 2.04 -0.13 -0.22 0.00 0.00 0.00 0.00 17.79 19.48 3ijp h ALA 141 CO 0.21 1.00 -0.63 -0.51 0.00 0.00 0.00 179.25 179.32 3ijp s LEU 142 N -7.09 3.41 1.10 0.00 1.43 -0.33 -5.10 118.68 112.11 3ijp s LEU 142 Ca 0.00 -0.19 -0.18 0.00 -1.03 0.00 0.00 54.13 52.73 3ijp s LEU 142 Cb 0.11 -1.90 0.25 0.00 0.03 0.00 0.00 46.19 44.68 3ijp s LEU 142 CO 0.79 0.00 1.19 1.51 0.23 0.00 0.00 176.35 180.07 3ijp s ASP 143 N 1.40 1.82 0.00 2.29 1.47 -1.26 -4.71 116.67 117.68 3ijp s ASP 143 Ca 0.05 0.51 0.00 0.00 1.18 0.00 0.00 52.55 54.29 3ijp s ASP 143 Cb -0.15 -0.69 0.00 0.00 -0.34 0.00 0.00 42.92 41.75 3ijp s ASP 143 CO 0.03 -3.56 0.73 -0.90 0.68 0.00 0.00 175.17 172.16 3ijp n ASP 144 N -4.36 0.46 0.24 2.11 5.68 -1.26 -0.67 116.55 118.75 3ijp n ASP 144 Ca 0.14 -1.93 0.16 0.00 -0.50 0.00 0.00 54.79 52.66 3ijp n ASP 144 Cb 0.59 -0.23 0.62 0.00 -1.14 0.00 0.00 41.12 40.97 3ijp n ASP 144 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3ijp h ASP 145 N 0.02 0.00 -3.59 -1.12 3.32 -1.95 -3.41 116.42 109.69 3ijp h ASP 145 Ca 0.00 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 56.39 3ijp h ASP 145 Cb 0.23 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 39.62 3ijp h ASP 145 CO 0.00 0.00 -0.06 -0.36 -1.72 0.00 0.00 179.24 177.10 3ijp s PHE 146 N -3.57 3.16 -0.07 4.55 0.08 0.16 -4.39 117.98 117.89 3ijp s PHE 146 Ca 0.02 0.00 -0.29 0.00 0.12 0.00 0.00 56.93 56.79 3ijp s PHE 146 Cb 0.09 -2.99 -0.02 0.00 -0.57 0.00 0.00 43.02 39.53 3ijp s PHE 146 CO 0.52 -0.63 0.95 -0.51 -0.10 0.00 0.00 175.22 175.45 3ijp s ASP 147 N 1.82 7.24 -0.20 1.36 -0.00 0.76 -4.71 116.67 122.94 3ijp s ASP 147 Ca 0.18 1.51 -0.14 0.00 -0.00 0.00 0.00 52.55 54.10 3ijp s ASP 147 Cb -0.16 -2.54 -0.04 0.00 -0.00 0.00 0.00 42.92 40.18 3ijp s ASP 147 CO 0.14 -0.34 0.30 -0.63 -0.00 0.00 0.00 175.17 174.64 3ijp s ILE 148 N 1.54 5.28 -0.05 0.77 1.01 -1.26 -1.15 121.20 127.34 3ijp s ILE 148 Ca 0.48 0.52 -0.01 0.00 0.00 0.00 0.00 60.65 61.64 3ijp s ILE 148 Cb -0.19 -3.64 0.03 0.00 0.01 0.00 0.00 42.46 38.67 3ijp s ILE 148 CO 0.21 0.32 0.04 -0.70 0.00 0.00 0.00 174.94 174.81 3ijp s GLU 149 N 0.93 0.14 -0.16 2.79 2.56 -0.26 -2.29 118.70 122.42 3ijp s GLU 149 Ca 0.15 0.27 -0.03 0.00 0.00 0.00 0.00 54.97 55.36 3ijp s GLU 149 Cb -0.14 -0.61 -0.02 0.00 2.00 0.00 0.00 34.13 35.36 3ijp s GLU 149 CO 0.05 -0.29 -0.05 0.42 -0.56 0.00 0.00 175.26 174.83 3ijp s ILE 150 N 1.93 3.72 0.02 -3.70 1.01 0.35 -0.37 121.20 124.16 3ijp s ILE 150 Ca 0.03 -0.42 0.08 0.00 0.00 0.00 0.00 60.65 60.34 3ijp s ILE 150 Cb -0.12 -2.63 -0.02 0.00 0.01 0.00 0.00 42.46 39.70 3ijp s ILE 150 CO -0.03 0.49 -0.24 -0.47 0.00 0.00 0.00 174.94 174.69 3ijp s TYR 151 N 0.46 2.10 0.04 3.97 6.14 0.21 -0.75 117.35 129.52 3ijp s TYR 151 Ca -0.05 -0.40 -0.08 0.00 0.64 0.00 0.00 57.07 57.19 3ijp s TYR 151 Cb -0.15 -1.29 -0.00 0.00 0.42 0.00 0.00 41.96 40.94 3ijp s TYR 151 CO 0.03 0.06 0.15 -1.83 0.64 0.00 0.00 175.55 174.60 3ijp s GLU 152 N -0.98 0.66 -0.04 4.97 4.04 -0.69 -0.86 118.70 125.81 3ijp s GLU 152 Ca 0.10 -0.72 0.02 0.00 0.04 0.00 0.00 54.97 54.41 3ijp s GLU 152 Cb -0.09 0.27 0.01 0.00 0.02 0.00 0.00 34.13 34.34 3ijp s GLU 152 CO 0.01 -0.18 -0.08 1.41 -1.84 0.00 0.00 175.26 174.57 3ijp s MET 153 N -2.72 1.02 0.15 -4.83 1.75 -0.65 -0.75 119.30 113.27 3ijp s MET 153 Ca -0.04 -0.26 0.00 0.00 -1.25 0.00 0.00 55.69 54.14 3ijp s MET 153 Cb -0.00 -0.94 -0.04 0.00 2.84 0.00 0.00 34.83 36.68 3ijp s MET 153 CO -0.05 0.05 0.04 -1.01 -0.65 0.00 0.00 175.02 173.39 3ijp s HIS 154 N 0.45 0.99 0.71 4.11 3.76 -0.90 -1.67 115.29 122.74 3ijp s HIS 154 Ca -0.07 -1.15 -0.17 0.00 -0.15 0.00 0.00 55.06 53.52 3ijp s HIS 154 Cb -0.11 -0.56 -0.07 0.00 1.11 0.00 0.00 32.58 32.95 3ijp s HIS 154 CO 0.01 -0.40 0.27 -2.39 -0.85 0.00 0.00 174.74 171.38 3ijp n HIS 155 N -0.15 -1.63 -0.08 1.40 1.44 0.19 -0.97 115.22 115.43 3ijp n HIS 155 Ca -0.06 0.33 0.20 0.00 -2.01 0.00 0.00 57.72 56.18 3ijp n HIS 155 Cb 0.63 -1.83 0.64 0.00 0.12 0.00 0.00 29.99 29.56 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 -0.37 2.44 -0.34 1.59 0.00 -1.04 -2.58 119.26 118.96 3ijp h ALA 156 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3ijp h ALA 156 Cb 1.36 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.17 3ijp h ALA 156 CO 0.40 -0.63 0.00 0.09 0.00 0.00 0.00 179.25 179.12 3ijp n ASN 157 N -4.39 2.58 -4.73 0.00 3.02 -1.26 -4.80 115.26 105.67 3ijp n ASN 157 Ca 0.13 -1.89 -0.42 0.00 -0.03 0.00 0.00 54.58 52.37 3ijp n ASN 157 Cb 0.65 -0.22 -0.03 0.00 -0.61 0.00 0.00 39.78 39.57 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 -1.56 4.25 -0.05 3.52 2.20 -0.97 -4.93 119.74 122.20 3ijp s LYS 158 Ca 0.35 2.30 -0.17 0.00 -0.36 0.00 0.00 55.97 58.09 3ijp s LYS 158 Cb 0.19 -3.14 -0.31 0.00 -1.51 0.00 0.00 37.83 33.07 3ijp s LYS 158 CO 0.27 -0.49 0.76 0.28 -0.36 0.00 0.00 175.35 175.82 3ijp h VAL 159 N 3.77 1.21 -2.69 4.02 2.07 -1.92 -3.47 116.25 119.24 3ijp h VAL 159 Ca -0.44 -2.52 -0.66 0.00 0.82 0.00 0.00 66.70 63.90 3ijp h VAL 159 Cb 1.21 2.93 -0.07 0.00 -1.52 0.00 0.00 31.29 33.85 3ijp h VAL 159 CO 0.83 0.75 -0.47 1.51 0.02 0.00 0.00 177.57 180.21 3ijp s ASP 160 N -7.17 6.40 -0.07 0.57 3.84 -1.26 -5.10 116.67 113.89 3ijp s ASP 160 Ca -0.15 0.46 -0.10 0.00 -0.00 0.00 0.00 52.55 52.76 3ijp s ASP 160 Cb 0.03 -2.06 0.02 0.00 -1.38 0.00 0.00 42.92 39.53 3ijp s ASP 160 CO 0.84 0.38 0.26 -0.94 -0.00 0.00 0.00 175.17 175.70 3ijp s SER 161 N -1.22 -0.21 1.00 2.11 1.04 -1.26 -4.22 113.70 110.94 3ijp s SER 161 Ca 0.18 0.33 -0.13 0.00 0.48 0.00 0.00 55.95 56.81 3ijp s SER 161 Cb -0.12 0.45 0.12 0.00 0.10 0.00 0.00 66.02 66.56 3ijp s SER 161 CO 0.07 -0.21 0.66 -2.65 0.98 0.00 0.00 173.24 172.10 3ijp n PRO 162 N 2.37 -0.85 -0.89 4.02 -0.02 -1.26 -5.09 135.00 133.28 3ijp n PRO 162 Ca -0.16 -0.20 -0.32 0.00 -2.02 0.00 0.00 63.50 60.80 3ijp n PRO 162 Cb 0.57 -2.04 0.15 0.00 -0.02 0.00 0.00 33.50 32.16 3ijp n PRO 162 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3ijp s SER 163 N -2.24 3.26 0.35 2.55 1.04 -1.26 -4.82 113.70 112.58 3ijp s SER 163 Ca 0.62 2.23 0.02 0.00 0.48 0.00 0.00 55.95 59.30 3ijp s SER 163 Cb -0.21 -2.57 0.64 0.00 0.10 0.00 0.00 66.02 63.97 3ijp s SER 163 CO 0.64 -2.88 2.01 1.23 0.98 0.00 0.00 173.24 175.22 3ijp h GLY 164 N -1.47 0.90 0.97 7.32 0.00 -1.90 -1.47 103.07 107.41 3ijp h GLY 164 Ca -0.44 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 46.53 3ijp h GLY 164 CO 0.44 0.32 0.21 -0.84 0.00 0.00 0.00 176.54 176.68 3ijp h THR 165 N 0.86 1.19 -0.48 4.70 2.02 -1.92 0.08 112.91 119.36 3ijp h THR 165 Ca 0.24 -0.56 0.03 0.00 0.77 0.00 0.00 66.41 66.89 3ijp h THR 165 Cb -0.08 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 66.99 3ijp h THR 165 CO -0.05 0.21 0.28 0.00 0.37 0.00 0.00 175.52 176.33 3ijp h ALA 166 N 1.06 0.61 -0.48 6.16 0.00 -1.70 0.80 119.26 125.71 3ijp h ALA 166 Ca 0.16 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3ijp h ALA 166 Cb 0.14 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3ijp h ALA 166 CO -0.02 -0.04 0.21 -0.07 0.00 0.00 0.00 179.25 179.33 3ijp h LEU 167 N 0.55 0.64 -1.14 0.00 3.38 -1.12 0.19 115.31 117.81 3ijp h LEU 167 Ca 0.20 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.04 3ijp h LEU 167 Cb 0.04 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 3ijp h LEU 167 CO -0.10 0.62 0.59 0.25 0.09 0.00 0.00 178.44 179.88 3ijp h LEU 168 N 0.63 0.98 -0.34 1.67 6.46 -0.39 -0.60 115.31 123.71 3ijp h LEU 168 Ca 0.16 -0.02 -0.19 0.00 -0.12 0.00 0.00 57.88 57.71 3ijp h LEU 168 Cb 0.16 -0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 39.85 3ijp h LEU 168 CO -0.02 0.69 -0.80 -0.07 -0.62 0.00 0.00 178.44 177.63 3ijp h LEU 169 N 1.15 0.44 -1.02 2.25 3.38 -0.21 -2.34 115.31 118.96 3ijp h LEU 169 Ca 0.34 -0.32 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 3ijp h LEU 169 Cb -0.05 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3ijp h LEU 169 CO -0.09 1.07 -0.17 1.23 0.09 0.00 0.00 178.44 180.57 3ijp h GLY 170 N 1.37 0.54 1.35 0.83 0.00 -0.15 -1.82 103.07 105.19 3ijp h GLY 170 Ca -0.04 -0.40 -0.17 0.00 0.00 0.00 0.00 47.33 46.72 3ijp h GLY 170 CO 0.13 0.37 -0.53 -1.61 0.00 0.00 0.00 176.54 174.90 3ijp h GLN 171 N 0.45 0.68 -0.62 4.80 5.75 -0.98 -0.43 115.11 124.77 3ijp h GLN 171 Ca 0.08 -0.42 -0.04 0.00 -0.15 0.00 0.00 58.65 58.11 3ijp h GLN 171 Cb 0.57 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 29.13 3ijp h GLN 171 CO 0.04 1.04 0.22 0.00 -2.65 0.00 0.00 178.83 177.48 3ijp h ALA 172 N 0.88 0.80 -0.34 3.38 0.00 -1.14 -1.56 119.26 121.28 3ijp h ALA 172 Ca 0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3ijp h ALA 172 Cb 1.09 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3ijp h ALA 172 CO 0.11 0.44 0.14 0.00 0.00 0.00 0.00 179.25 179.95 3ijp h ALA 173 N 1.08 0.44 -0.71 0.00 0.00 -1.20 -2.11 119.26 116.76 3ijp h ALA 173 Ca 0.20 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3ijp h ALA 173 Cb 0.24 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3ijp h ALA 173 CO -0.01 0.03 0.46 0.00 0.00 0.00 0.00 179.25 179.73 3ijp h ALA 174 N 0.99 0.91 -0.96 0.00 0.00 -0.94 -1.75 119.26 117.51 3ijp h ALA 174 Ca 0.11 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3ijp h ALA 174 Cb 0.17 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 3ijp h ALA 174 CO -0.01 0.29 0.63 0.93 0.00 0.00 0.00 179.25 181.09 3ijp h GLU 175 N 0.93 1.27 -0.23 0.00 5.08 -1.18 -0.92 114.58 119.53 3ijp h GLU 175 Ca 0.27 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.48 3ijp h GLU 175 Cb -0.07 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 28.88 3ijp h GLU 175 CO -0.07 0.84 -0.15 0.78 -1.00 0.00 0.00 179.01 179.41 3ijp h GLY 176 N 1.30 0.42 -0.52 -3.84 0.00 -0.77 -2.13 103.07 97.54 3ijp h GLY 176 Ca 0.35 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.39 3ijp h GLY 176 CO -0.07 0.27 0.00 0.54 0.00 0.00 0.00 176.54 177.27 3ijp n ARG 177 N -4.21 1.58 -4.20 4.80 5.12 -0.71 -3.62 116.66 115.42 3ijp n ARG 177 Ca -0.00 -0.87 -0.33 0.00 -1.93 0.00 0.00 57.85 54.72 3ijp n ARG 177 Cb 0.32 -1.38 -0.04 0.00 -1.16 0.00 0.00 32.46 30.20 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 0.09 -1.66 -4.42 0.55 3.02 -0.64 -4.98 115.26 107.22 3ijp n ASN 178 Ca 0.16 -1.08 -0.27 0.00 -0.03 0.00 0.00 54.58 53.36 3ijp n ASN 178 Cb 0.28 -2.52 -0.09 0.00 -0.61 0.00 0.00 39.78 36.84 3ijp n ASN 178 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3ijp s ILE 179 N -3.64 1.04 -0.22 2.41 -4.36 -0.45 -5.03 121.20 110.96 3ijp s ILE 179 Ca 0.44 -2.00 -0.08 0.00 -0.26 0.00 0.00 60.65 58.75 3ijp s ILE 179 Cb -0.24 -2.48 -0.04 0.00 1.25 0.00 0.00 42.46 40.95 3ijp s ILE 179 CO 0.94 0.00 0.09 -0.04 0.24 0.00 0.00 174.94 176.17 3ijp s MET 180 N -3.80 3.86 0.23 0.37 -1.94 -1.26 -4.19 119.30 112.57 3ijp s MET 180 Ca 0.23 -0.38 -0.07 0.00 -1.71 0.00 0.00 55.69 53.77 3ijp s MET 180 Cb 0.05 -3.34 0.39 0.00 2.01 0.00 0.00 34.83 33.93 3ijp s MET 180 CO 0.12 0.03 1.72 1.25 -0.01 0.00 0.00 175.02 178.13 3ijp h LEU 181 N 7.55 0.14 -2.44 -0.03 5.85 -1.91 -0.51 115.31 123.96 3ijp h LEU 181 Ca -0.37 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 3ijp h LEU 181 Cb 1.17 0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.33 3ijp h LEU 181 CO 0.63 0.05 -0.03 0.07 -0.34 0.00 0.00 178.44 178.83 3ijp h LYS 182 N 0.35 0.00 0.00 1.25 5.09 -1.96 -0.52 116.57 120.78 3ijp h LYS 182 Ca 0.37 0.00 -0.10 0.00 0.09 0.00 0.00 60.65 61.02 3ijp h LYS 182 Cb 0.56 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.88 3ijp h LYS 182 CO -0.41 0.03 -0.61 -0.91 -2.09 0.00 0.00 179.45 175.46 3ijp h ASN 183 N 0.00 0.00 -0.00 7.07 2.35 -1.51 -3.39 115.58 120.09 3ijp h ASN 183 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3ijp h ASN 183 Cb 0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.46 3ijp h ASN 183 CO 0.00 0.42 -0.05 1.33 -1.65 0.00 0.00 177.43 177.49 3ijp n VAL 184 N -3.13 0.00 -2.38 2.81 0.24 -0.51 -5.05 118.33 110.32 3ijp n VAL 184 Ca 0.00 -0.48 -0.40 0.00 -2.04 0.00 0.00 64.34 61.42 3ijp n VAL 184 Cb 0.72 1.01 -0.04 0.00 -1.47 0.00 0.00 33.84 34.06 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 -0.85 7.14 -0.18 -1.34 1.04 -0.32 -1.41 113.70 117.78 3ijp s SER 185 Ca 0.01 2.37 -0.01 0.00 0.48 0.00 0.00 55.95 58.80 3ijp s SER 185 Cb 0.01 -2.63 0.05 0.00 0.10 0.00 0.00 66.02 63.55 3ijp s SER 185 CO 0.05 -0.25 -0.02 -0.69 0.98 0.00 0.00 173.24 173.32 3ijp s VAL 186 N -1.12 0.91 -0.03 5.02 1.01 -0.24 -4.89 120.40 121.05 3ijp s VAL 186 Ca 0.46 -0.63 -0.26 0.00 0.00 0.00 0.00 61.98 61.54 3ijp s VAL 186 Cb -0.34 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 3ijp s VAL 186 CO 0.44 -0.02 0.82 0.20 0.00 0.00 0.00 175.10 176.54 3ijp s ASN 187 N 1.70 7.16 -0.62 3.32 0.01 -1.26 -1.01 114.94 124.25 3ijp s ASN 187 Ca -0.01 1.40 -0.03 0.00 -0.71 0.00 0.00 52.86 53.52 3ijp s ASN 187 Cb -0.16 -2.48 0.00 0.00 0.41 0.00 0.00 41.25 39.02 3ijp s ASN 187 CO -0.07 -0.16 0.62 0.61 -1.51 0.00 0.00 177.10 176.59 3ijp n GLY 188 N 2.94 -1.17 0.31 0.66 0.00 -0.78 -4.88 105.19 102.27 3ijp n GLY 188 Ca 0.01 0.55 0.20 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 0.68 0.00 -1.03 1.61 3.08 -1.83 -2.44 114.38 114.45 3ijp h ARG 189 Ca 0.00 0.00 0.26 0.00 0.07 0.00 0.00 59.98 60.31 3ijp h ARG 189 Cb 0.98 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.92 3ijp h ARG 189 CO 0.25 0.00 0.64 1.03 -1.07 0.00 0.00 179.97 180.83 3ijp h SER 190 N 0.00 0.54 -2.07 7.04 0.87 -1.94 -2.26 113.55 115.73 3ijp h SER 190 Ca 0.00 0.11 -0.78 0.00 -1.23 0.00 0.00 61.79 59.89 3ijp h SER 190 Cb 0.19 0.02 -0.28 0.00 -0.44 0.00 0.00 62.40 61.90 3ijp h SER 190 CO 0.00 0.09 1.00 0.61 -0.53 0.00 0.00 176.83 178.00 3ijp n GLY 191 N -1.40 5.72 3.17 5.77 0.00 -0.92 -4.96 105.19 112.57 3ijp n GLY 191 Ca 0.26 -2.52 -0.09 0.00 0.00 0.00 0.00 46.02 43.67 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 -4.14 0.16 0.02 1.61 4.02 -0.85 -5.09 115.29 111.03 3ijp s HIS 192 Ca 0.48 -0.51 0.04 0.00 1.02 0.00 0.00 55.06 56.09 3ijp s HIS 192 Cb 0.36 -0.10 -0.02 0.00 -1.02 0.00 0.00 32.58 31.81 3ijp s HIS 192 CO -0.33 -0.46 -0.13 0.99 1.02 0.00 0.00 174.74 175.84 3ijp s THR 193 N -3.19 1.00 0.00 1.30 2.01 -1.26 -5.08 115.64 110.42 3ijp s THR 193 Ca -0.00 -0.81 0.00 0.00 0.31 0.00 0.00 61.69 61.19 3ijp s THR 193 Cb 0.02 -0.89 0.00 0.00 0.01 0.00 0.00 72.50 71.64 3ijp s THR 193 CO -0.07 0.08 0.00 0.61 -0.69 0.00 0.00 174.62 174.54 3ijp n GLY 194 N 2.21 3.39 3.78 4.40 0.00 -1.26 -5.06 105.19 112.65 3ijp n GLY 194 Ca -0.17 -1.74 -0.35 0.00 0.00 0.00 0.00 46.02 43.76 3ijp n GLY 194 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ijp s LYS 195 N -2.25 3.78 0.33 1.61 3.01 -1.26 -5.00 119.74 119.96 3ijp s LYS 195 Ca 0.00 1.54 -0.29 0.00 -1.01 0.00 0.00 55.97 56.22 3ijp s LYS 195 Cb 0.00 -2.25 -0.10 0.00 -1.01 0.00 0.00 37.83 34.46 3ijp s LYS 195 CO 0.00 -0.48 1.35 0.50 0.51 0.00 0.00 175.35 177.23 3ijp s ARG 196 N -2.95 4.31 -0.03 1.68 3.52 -1.26 -4.99 118.95 119.23 3ijp s ARG 196 Ca 0.65 2.28 -0.24 0.00 -0.13 0.00 0.00 55.73 58.30 3ijp s ARG 196 Cb -0.22 -3.06 -0.04 0.00 -1.56 0.00 0.00 34.95 30.07 3ijp s ARG 196 CO 0.26 -0.27 0.71 -2.00 -0.81 0.00 0.00 175.30 173.19 3ijp s GLU 197 N -1.69 4.44 0.32 5.12 2.12 -1.26 -5.02 118.70 122.73 3ijp s GLU 197 Ca 0.51 0.91 -0.29 0.00 0.36 0.00 0.00 54.97 56.46 3ijp s GLU 197 Cb -0.41 -3.42 -0.10 0.00 0.26 0.00 0.00 34.13 30.46 3ijp s GLU 197 CO 0.54 0.15 1.36 0.21 -0.54 0.00 0.00 175.26 176.98 3ijp s LYS 198 N 0.49 4.29 0.00 4.30 2.20 -1.26 -2.24 119.74 127.52 3ijp s LYS 198 Ca 0.37 2.30 0.00 0.00 -0.36 0.00 0.00 55.97 58.28 3ijp s LYS 198 Cb -0.18 -3.06 0.00 0.00 -1.51 0.00 0.00 37.83 33.08 3ijp s LYS 198 CO 0.19 -0.29 0.00 0.41 -0.36 0.00 0.00 175.35 175.30 3ijp n GLY 199 N 0.99 2.71 3.76 5.54 0.00 -1.26 -5.03 105.19 111.90 3ijp n GLY 199 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.06 3.03 -0.18 2.61 -4.23 -0.95 -4.92 115.64 108.94 3ijp s THR 200 Ca 0.00 0.44 0.01 0.00 -1.18 0.00 0.00 61.69 60.95 3ijp s THR 200 Cb 0.00 -2.92 0.01 0.00 1.34 0.00 0.00 72.50 70.94 3ijp s THR 200 CO 0.00 -0.34 -0.19 -0.63 -0.54 0.00 0.00 174.62 172.93 3ijp s ILE 201 N -2.44 2.22 0.11 2.99 1.01 -0.50 -4.16 121.20 120.43 3ijp s ILE 201 Ca 0.67 -0.89 -0.01 0.00 0.00 0.00 0.00 60.65 60.41 3ijp s ILE 201 Cb -0.21 -1.93 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 3ijp s ILE 201 CO 0.47 0.53 0.28 -0.83 0.00 0.00 0.00 174.94 175.39 3ijp s GLY 202 N 1.21 2.09 -0.10 6.18 0.00 -0.97 -1.08 107.32 114.64 3ijp s GLY 202 Ca 0.03 -0.80 0.01 0.00 0.00 0.00 0.00 44.72 43.96 3ijp s GLY 202 CO -0.10 -0.76 -0.12 -1.36 0.00 0.00 0.00 173.10 170.76 3ijp s PHE 203 N -1.62 1.68 0.07 1.90 0.08 -0.18 -0.49 117.98 119.42 3ijp s PHE 203 Ca 0.37 -0.76 0.09 0.00 0.12 0.00 0.00 56.93 56.74 3ijp s PHE 203 Cb -0.12 -1.26 -0.03 0.00 -0.57 0.00 0.00 43.02 41.03 3ijp s PHE 203 CO 0.27 -0.43 -0.23 0.00 -0.10 0.00 0.00 175.22 174.73 3ijp s ALA 204 N 1.09 2.02 -0.08 5.36 0.00 0.07 -1.86 121.76 128.37 3ijp s ALA 204 Ca -0.06 -1.22 -0.03 0.00 0.00 0.00 0.00 51.96 50.65 3ijp s ALA 204 Cb -0.14 -0.37 0.04 0.00 0.00 0.00 0.00 23.12 22.64 3ijp s ALA 204 CO -0.02 0.45 0.16 0.00 0.00 0.00 0.00 175.76 176.36 3ijp s SER 206 N 1.50 5.39 -0.05 0.00 0.01 0.07 -4.98 113.70 115.65 3ijp s SER 206 Ca -0.06 -0.10 0.01 0.00 1.31 0.00 0.00 55.95 57.11 3ijp s SER 206 Cb -0.12 -1.39 0.02 0.00 0.21 0.00 0.00 66.02 64.74 3ijp s SER 206 CO -0.06 0.14 -0.04 -0.13 0.41 0.00 0.00 173.24 173.55 3ijp s ARG 207 N -2.62 0.81 -0.30 12.44 1.81 -1.26 -2.11 118.95 127.72 3ijp s ARG 207 Ca 0.29 -0.09 -0.31 0.00 -1.72 0.00 0.00 55.73 53.90 3ijp s ARG 207 Cb -0.11 -0.85 0.19 0.00 -0.45 0.00 0.00 34.95 33.73 3ijp s ARG 207 CO 0.22 -0.10 1.39 0.20 -0.68 0.00 0.00 175.30 176.32 3ijp s GLY 208 N 1.01 0.05 0.00 -3.53 0.00 -0.14 -4.76 107.32 99.95 3ijp s GLY 208 Ca -0.10 2.71 0.00 0.00 0.00 0.00 0.00 44.72 47.33 3ijp s GLY 208 CO -0.00 1.02 0.00 0.61 0.00 0.00 0.00 173.10 174.73 3ijp n GLY 209 N 0.40 2.64 0.05 0.20 0.00 -1.26 -3.20 105.19 104.02 3ijp n GLY 209 Ca 0.02 -0.10 0.06 0.00 0.00 0.00 0.00 46.02 46.00 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 1.56 -1.69 2.61 -2.24 -1.26 -1.02 114.28 112.24 3ijp n THR 210 Ca 0.00 -1.79 -0.43 0.00 -2.27 0.00 0.00 64.05 59.56 3ijp n THR 210 Cb 0.00 0.04 -0.03 0.00 -2.10 0.00 0.00 70.33 68.23 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 -1.08 0.30 -0.07 2.28 0.31 -1.23 -4.67 118.33 114.18 3ijp n VAL 211 Ca 0.10 -0.05 -0.13 0.00 -0.01 0.00 0.00 64.34 64.25 3ijp n VAL 211 Cb 0.50 -2.04 -0.06 0.00 -0.91 0.00 0.00 33.84 31.32 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 4.52 1.33 0.00 2.52 1.08 -1.88 0.58 117.51 125.66 3ijp h ILE 212 Ca -0.46 -1.35 0.00 0.00 -0.39 0.00 0.00 64.86 62.66 3ijp h ILE 212 Cb 1.23 1.78 0.00 0.00 -3.07 0.00 0.00 36.82 36.76 3ijp h ILE 212 CO 0.94 0.41 0.00 0.61 -0.69 0.00 0.00 178.15 179.42 3ijp n GLY 213 N 0.18 1.56 3.65 5.37 0.00 -1.26 -4.78 105.19 109.91 3ijp n GLY 213 Ca -0.05 0.46 -0.35 0.00 0.00 0.00 0.00 46.02 46.08 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 5.18 -0.02 1.61 -0.00 -0.67 -1.64 116.67 121.13 3ijp s ASP 214 Ca 0.00 0.09 0.02 0.00 -0.00 0.00 0.00 52.55 52.66 3ijp s ASP 214 Cb 0.00 -1.55 0.01 0.00 -0.00 0.00 0.00 42.92 41.38 3ijp s ASP 214 CO 0.00 0.33 -0.06 -1.00 -0.00 0.00 0.00 175.17 174.44 3ijp s HIS 215 N -0.58 0.63 -0.03 4.23 3.76 -0.46 -1.63 115.29 121.21 3ijp s HIS 215 Ca 0.10 -0.14 0.01 0.00 -0.15 0.00 0.00 55.06 54.88 3ijp s HIS 215 Cb -0.12 -0.48 0.02 0.00 1.11 0.00 0.00 32.58 33.12 3ijp s HIS 215 CO 0.02 -0.08 -0.02 -1.12 -0.85 0.00 0.00 174.74 172.69 3ijp s SER 216 N 0.27 0.65 -0.27 1.40 0.01 -0.04 -0.61 113.70 115.11 3ijp s SER 216 Ca -0.03 -0.08 -0.06 0.00 1.31 0.00 0.00 55.95 57.09 3ijp s SER 216 Cb -0.07 -0.31 -0.00 0.00 0.21 0.00 0.00 66.02 65.84 3ijp s SER 216 CO -0.00 -0.06 0.05 -0.63 0.41 0.00 0.00 173.24 173.01 3ijp s ILE 217 N 0.87 3.91 -0.16 1.44 1.09 0.39 -0.62 121.20 128.12 3ijp s ILE 217 Ca -0.10 -0.54 -0.12 0.00 -1.10 0.00 0.00 60.65 58.79 3ijp s ILE 217 Cb -0.13 -2.93 -0.05 0.00 -1.06 0.00 0.00 42.46 38.29 3ijp s ILE 217 CO -0.01 0.21 0.24 -0.89 -0.10 0.00 0.00 174.94 174.40 3ijp s THR 218 N 1.52 5.34 -0.41 2.92 2.01 0.50 -1.22 115.64 126.29 3ijp s THR 218 Ca 0.04 0.44 -0.08 0.00 0.31 0.00 0.00 61.69 62.40 3ijp s THR 218 Cb -0.16 -3.58 0.08 0.00 0.01 0.00 0.00 72.50 68.85 3ijp s THR 218 CO 0.01 0.43 0.24 -0.36 -0.69 0.00 0.00 174.62 174.26 3ijp s PHE 219 N 0.25 3.36 -0.36 4.92 0.08 0.40 -1.10 117.98 125.53 3ijp s PHE 219 Ca 0.14 -1.63 -0.07 0.00 0.12 0.00 0.00 56.93 55.50 3ijp s PHE 219 Cb -0.13 -2.95 0.05 0.00 -0.57 0.00 0.00 43.02 39.42 3ijp s PHE 219 CO 0.03 -0.86 0.14 0.00 -0.10 0.00 0.00 175.22 174.43 3ijp s ALA 220 N 1.39 3.10 0.00 5.36 0.00 -0.30 -1.68 121.76 129.64 3ijp s ALA 220 Ca 0.03 -1.87 0.00 0.00 0.00 0.00 0.00 51.96 50.12 3ijp s ALA 220 Cb -0.23 -2.35 0.00 0.00 0.00 0.00 0.00 23.12 20.54 3ijp s ALA 220 CO 0.01 -1.43 0.00 0.41 0.00 0.00 0.00 175.76 174.76 3ijp n GLY 221 N 4.82 4.72 3.58 0.00 0.00 -0.15 -0.17 105.19 117.99 3ijp n GLY 221 Ca -0.11 -2.07 -0.41 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 1.04 3.20 -1.96 1.61 2.56 -1.26 -3.51 118.70 120.37 3ijp s GLU 222 Ca 0.00 0.85 0.00 0.00 0.00 0.00 0.00 54.97 55.82 3ijp s GLU 222 Cb 0.00 -4.19 0.00 0.00 2.00 0.00 0.00 34.13 31.94 3ijp s GLU 222 CO 0.00 -2.04 0.00 0.09 -0.56 0.00 0.00 175.26 172.75 3ijp n ASN 223 N 10.39 -5.60 -3.52 -1.70 5.03 -1.26 -4.97 115.26 113.63 3ijp n ASN 223 Ca 0.18 0.26 -0.15 0.00 0.87 0.00 0.00 54.58 55.74 3ijp n ASN 223 Cb 0.49 -4.76 -0.05 0.00 -1.02 0.00 0.00 39.78 34.44 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 -4.31 0.96 0.01 3.52 -1.05 -1.23 -5.16 118.70 111.43 3ijp s GLU 224 Ca 0.00 0.12 0.05 0.00 -0.15 0.00 0.00 54.97 54.99 3ijp s GLU 224 Cb 0.00 0.45 -0.02 0.00 -0.44 0.00 0.00 34.13 34.12 3ijp s GLU 224 CO 0.00 -0.32 -0.16 1.03 0.95 0.00 0.00 175.26 176.75 3ijp s ARG 225 N -1.58 1.25 -0.15 -4.83 0.52 -1.26 -0.98 118.95 111.93 3ijp s ARG 225 Ca -0.06 -0.66 -0.05 0.00 -0.52 0.00 0.00 55.73 54.44 3ijp s ARG 225 Cb -0.00 -1.24 -0.03 0.00 0.52 0.00 0.00 34.95 34.19 3ijp s ARG 225 CO 0.04 0.33 -0.00 0.42 0.02 0.00 0.00 175.30 176.11 3ijp s ILE 226 N -0.52 4.22 -0.11 1.52 -1.09 -0.67 -4.98 121.20 119.56 3ijp s ILE 226 Ca 0.06 -0.25 0.01 0.00 -2.23 0.00 0.00 60.65 58.24 3ijp s ILE 226 Cb -0.07 -2.85 0.02 0.00 -1.58 0.00 0.00 42.46 37.97 3ijp s ILE 226 CO 0.00 0.50 -0.14 -0.69 -1.23 0.00 0.00 174.94 173.38 3ijp s VAL 227 N 0.19 1.41 -0.14 2.92 1.01 -1.26 -0.46 120.40 124.07 3ijp s VAL 227 Ca 0.00 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 3ijp s VAL 227 Cb -0.13 -1.31 -0.01 0.00 0.00 0.00 0.00 36.38 34.92 3ijp s VAL 227 CO 0.02 0.43 -0.11 -0.76 0.00 0.00 0.00 175.10 174.67 3ijp s LEU 228 N 1.13 2.78 0.07 3.92 1.43 -0.36 -4.95 118.68 122.69 3ijp s LEU 228 Ca -0.04 -0.32 0.01 0.00 -1.03 0.00 0.00 54.13 52.75 3ijp s LEU 228 Cb -0.14 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 3ijp s LEU 228 CO -0.03 0.14 -0.05 -0.44 0.23 0.00 0.00 176.35 176.20 3ijp s SER 229 N 0.48 0.81 -0.02 2.29 0.01 -1.26 -0.46 113.70 115.55 3ijp s SER 229 Ca -0.08 -0.89 0.01 0.00 1.31 0.00 0.00 55.95 56.30 3ijp s SER 229 Cb -0.16 0.12 0.02 0.00 0.21 0.00 0.00 66.02 66.21 3ijp s SER 229 CO 0.04 -0.45 -0.01 -2.28 0.41 0.00 0.00 173.24 170.95 3ijp s HIS 230 N -3.16 0.32 -0.21 2.43 2.46 0.22 -5.00 115.29 112.34 3ijp s HIS 230 Ca 0.04 -0.02 0.02 0.00 0.47 0.00 0.00 55.06 55.57 3ijp s HIS 230 Cb 0.02 -0.36 0.04 0.00 -0.13 0.00 0.00 32.58 32.15 3ijp s HIS 230 CO -0.05 -0.10 -0.14 0.42 -2.47 0.00 0.00 174.74 172.40 3ijp s ILE 231 N 0.75 1.99 -0.13 0.89 1.01 -1.26 -1.35 121.20 123.10 3ijp s ILE 231 Ca -0.08 -1.21 -0.24 0.00 0.00 0.00 0.00 60.65 59.12 3ijp s ILE 231 Cb -0.11 -1.98 -0.03 0.00 0.01 0.00 0.00 42.46 40.36 3ijp s ILE 231 CO -0.01 0.23 0.73 0.00 0.00 0.00 0.00 174.94 175.89 3ijp s ALA 232 N 1.25 3.44 -0.12 9.38 0.00 -0.65 -4.97 121.76 130.09 3ijp s ALA 232 Ca -0.02 0.01 -0.09 0.00 0.00 0.00 0.00 51.96 51.87 3ijp s ALA 232 Cb -0.16 -3.06 -0.26 0.00 0.00 0.00 0.00 23.12 19.64 3ijp s ALA 232 CO -0.09 -0.39 0.40 0.37 0.00 0.00 0.00 175.76 176.05 3ijp h GLN 233 N 7.12 0.26 -3.58 0.00 4.15 -1.98 -3.36 115.11 117.73 3ijp h GLN 233 Ca -0.35 -0.45 -0.06 0.00 0.77 0.00 0.00 58.65 58.57 3ijp h GLN 233 Cb 1.16 0.17 -0.11 0.00 0.21 0.00 0.00 27.48 28.91 3ijp h GLN 233 CO 0.79 1.21 -0.13 -1.83 -1.93 0.00 0.00 178.83 176.94 3ijp s GLU 234 N -2.54 1.29 0.38 1.69 -1.05 -1.26 -4.88 118.70 112.33 3ijp s GLU 234 Ca -0.22 -1.02 0.28 0.00 -0.15 0.00 0.00 54.97 53.85 3ijp s GLU 234 Cb 0.06 0.46 1.16 0.00 -0.44 0.00 0.00 34.13 35.37 3ijp s GLU 234 CO 0.77 -0.52 1.83 0.00 0.95 0.00 0.00 175.26 178.28 3ijp h ARG 235 N 2.35 0.00 -0.17 -4.83 3.08 -1.97 -2.95 114.38 109.89 3ijp h ARG 235 Ca -0.30 0.00 0.05 0.00 0.07 0.00 0.00 59.98 59.80 3ijp h ARG 235 Cb 1.25 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.29 3ijp h ARG 235 CO 0.42 0.00 0.14 0.66 -1.07 0.00 0.00 179.97 180.12 3ijp h SER 236 N 0.00 0.00 0.03 7.04 4.64 -1.96 -0.86 113.55 122.44 3ijp h SER 236 Ca 0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 3ijp h SER 236 Cb 0.40 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 3ijp h SER 236 CO 0.00 0.00 -0.25 0.16 -0.87 0.00 0.00 176.83 175.87 3ijp h ILE 237 N 0.00 1.25 0.09 0.95 3.07 -1.96 -0.97 117.51 119.95 3ijp h ILE 237 Ca 0.08 -1.19 -0.26 0.00 1.55 0.00 0.00 64.86 65.04 3ijp h ILE 237 Cb 0.36 1.38 0.01 0.00 -0.27 0.00 0.00 36.82 38.30 3ijp h ILE 237 CO -0.00 0.37 -1.15 -0.26 -1.05 0.00 0.00 178.15 176.06 3ijp h PHE 238 N 0.32 0.58 -0.58 0.16 0.04 -1.41 -2.09 116.94 113.97 3ijp h PHE 238 Ca 0.05 -0.38 -0.00 0.00 2.80 0.00 0.00 57.97 60.44 3ijp h PHE 238 Cb 0.62 -0.04 -0.03 0.00 2.20 0.00 0.00 35.95 38.70 3ijp h PHE 238 CO 0.02 1.26 0.35 0.00 -0.60 0.00 0.00 178.31 179.34 3ijp h ALA 239 N 0.60 0.74 -0.08 2.45 0.00 -1.05 -1.07 119.26 120.84 3ijp h ALA 239 Ca -0.12 -0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.54 3ijp h ALA 239 Cb 1.85 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 3ijp h ALA 239 CO 0.20 0.21 -0.70 -0.91 0.00 0.00 0.00 179.25 178.05 3ijp h ASN 240 N 0.78 0.46 -1.01 0.00 2.35 -1.21 -1.95 115.58 115.00 3ijp h ASN 240 Ca 0.21 -0.29 0.03 0.00 -0.55 0.00 0.00 56.30 55.70 3ijp h ASN 240 Cb -0.03 -0.13 -0.06 0.00 0.05 0.00 0.00 38.32 38.15 3ijp h ASN 240 CO -0.04 1.01 0.66 1.23 -1.65 0.00 0.00 177.43 178.65 3ijp h GLY 241 N 1.30 1.46 1.02 2.83 0.00 -1.16 -1.56 103.07 106.96 3ijp h GLY 241 Ca -0.02 -0.51 -0.06 0.00 0.00 0.00 0.00 47.33 46.74 3ijp h GLY 241 CO 0.12 0.46 0.15 0.00 0.00 0.00 0.00 176.54 177.26 3ijp h ALA 242 N 1.40 0.80 -0.51 3.60 0.00 -0.82 0.04 119.26 123.77 3ijp h ALA 242 Ca 0.39 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3ijp h ALA 242 Cb -0.05 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3ijp h ALA 242 CO -0.11 0.51 0.15 -0.07 0.00 0.00 0.00 179.25 179.73 3ijp h LEU 243 N 0.89 0.76 -0.77 0.00 3.38 -1.08 -0.45 115.31 118.03 3ijp h LEU 243 Ca 0.19 -0.21 0.07 0.00 0.09 0.00 0.00 57.88 58.02 3ijp h LEU 243 Cb 0.35 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.84 3ijp h LEU 243 CO 0.00 0.77 0.45 0.50 0.09 0.00 0.00 178.44 180.25 3ijp h LYS 244 N 0.71 0.77 -0.69 1.13 3.64 -1.05 -1.27 116.57 119.80 3ijp h LYS 244 Ca 0.16 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.43 3ijp h LYS 244 Cb 0.29 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 3ijp h LYS 244 CO -0.00 0.51 0.17 0.00 -2.27 0.00 0.00 179.45 177.85 3ijp h ALA 245 N 1.40 0.99 -0.12 5.00 0.00 -0.39 -2.27 119.26 123.88 3ijp h ALA 245 Ca 0.35 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3ijp h ALA 245 Cb 0.25 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3ijp h ALA 245 CO -0.21 0.65 0.07 0.00 0.00 0.00 0.00 179.25 179.76 3ijp h ALA 246 N 1.13 0.15 -0.47 0.00 0.00 -0.45 -0.69 119.26 118.93 3ijp h ALA 246 Ca 0.22 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3ijp h ALA 246 Cb 0.36 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3ijp h ALA 246 CO 0.00 -0.33 0.15 -0.07 0.00 0.00 0.00 179.25 179.00 3ijp h LEU 247 N 0.11 0.63 -0.29 0.00 3.38 -1.16 -1.67 115.31 116.31 3ijp h LEU 247 Ca 0.04 -0.08 -0.15 0.00 0.09 0.00 0.00 57.88 57.77 3ijp h LEU 247 Cb 0.04 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 3ijp h LEU 247 CO -0.01 0.60 -0.42 -0.25 0.09 0.00 0.00 178.44 178.45 3ijp h TRP 248 N 0.68 0.98 0.00 1.13 7.01 -1.16 -3.15 115.95 121.43 3ijp h TRP 248 Ca 0.16 -0.33 -0.04 0.00 2.11 0.00 0.00 58.89 60.79 3ijp h TRP 248 Cb 0.19 -0.19 -0.01 0.00 -2.10 0.00 0.00 29.16 27.05 3ijp h TRP 248 CO 0.01 1.12 -0.20 0.00 -2.79 0.00 0.00 178.44 176.58 3ijp h ALA 249 N 0.69 1.14 -0.74 2.65 0.00 -0.58 -3.39 119.26 119.03 3ijp h ALA 249 Ca 0.03 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 54.86 3ijp h ALA 249 Cb 1.02 -0.03 -0.12 0.00 0.00 0.00 0.00 17.79 18.66 3ijp h ALA 249 CO 0.10 0.25 -0.47 -0.22 0.00 0.00 0.00 179.25 178.90 3ijp h LYS 250 N 0.00 -0.14 -0.35 0.00 3.64 -1.28 -1.48 116.57 116.96 3ijp h LYS 250 Ca -0.00 0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.23 3ijp h LYS 250 Cb 0.58 0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 32.34 3ijp h LYS 250 CO 0.03 -0.09 -0.04 0.09 -2.27 0.00 0.00 179.45 177.16 3ijp n ASN 251 N -5.38 2.78 -4.91 4.20 4.13 -1.26 -5.02 115.26 109.80 3ijp n ASN 251 Ca 0.03 -3.61 -0.27 0.00 1.68 0.00 0.00 54.58 52.41 3ijp n ASN 251 Cb 0.34 -0.62 0.01 0.00 -1.54 0.00 0.00 39.78 37.96 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 -3.16 3.45 0.80 3.10 2.46 -0.56 -5.06 115.29 116.31 3ijp s HIS 252 Ca 0.44 0.71 -0.11 0.00 0.47 0.00 0.00 55.06 56.57 3ijp s HIS 252 Cb 0.39 -2.41 0.07 0.00 -0.13 0.00 0.00 32.58 30.50 3ijp s HIS 252 CO 0.02 -0.43 1.09 -1.83 -2.47 0.00 0.00 174.74 171.13 3ijp s GLU 253 N -4.79 2.10 0.79 2.88 -1.05 -1.26 -4.89 118.70 112.48 3ijp s GLU 253 Ca 0.49 0.69 -0.15 0.00 -0.15 0.00 0.00 54.97 55.85 3ijp s GLU 253 Cb -0.10 -1.92 -0.01 0.00 -0.44 0.00 0.00 34.13 31.66 3ijp s GLU 253 CO 0.44 -1.62 0.58 0.09 0.95 0.00 0.00 175.26 175.70 3ijp n ASN 254 N -3.44 -1.13 0.00 0.83 3.02 -1.26 -4.64 115.26 108.63 3ijp n ASN 254 Ca 0.07 0.53 0.00 0.00 -0.03 0.00 0.00 54.58 55.15 3ijp n ASN 254 Cb 0.56 -1.25 0.00 0.00 -0.61 0.00 0.00 39.78 38.48 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 1.49 2.31 3.43 7.41 0.00 -0.60 -4.90 105.19 114.33 3ijp n GLY 255 Ca 0.10 -1.68 -0.38 0.00 0.00 0.00 0.00 46.02 44.06 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 3.86 0.30 0.99 2.96 -1.26 -1.05 118.68 124.49 3ijp s LEU 256 Ca 0.00 -0.45 0.05 0.00 -0.22 0.00 0.00 54.13 53.51 3ijp s LEU 256 Cb 0.00 -1.96 -0.06 0.00 0.50 0.00 0.00 46.19 44.67 3ijp s LEU 256 CO 0.00 -0.14 -0.00 -0.31 -1.32 0.00 0.00 176.35 174.57 3ijp s TYR 257 N 1.60 1.97 0.42 5.38 2.02 0.03 -5.00 117.35 123.77 3ijp s TYR 257 Ca 0.05 -0.81 0.04 0.00 -0.37 0.00 0.00 57.07 55.97 3ijp s TYR 257 Cb -0.16 -1.21 -0.04 0.00 -0.40 0.00 0.00 41.96 40.14 3ijp s TYR 257 CO 0.05 0.17 0.04 -1.54 -1.57 0.00 0.00 175.55 172.70 3ijp s SER 258 N -3.47 3.40 0.48 2.29 1.04 -1.26 -0.52 113.70 115.66 3ijp s SER 258 Ca 0.32 -1.53 0.24 0.00 0.48 0.00 0.00 55.95 55.47 3ijp s SER 258 Cb 0.06 0.15 1.19 0.00 0.10 0.00 0.00 66.02 67.52 3ijp s SER 258 CO 0.13 -0.71 1.96 0.24 0.98 0.00 0.00 173.24 175.84 3ijp h MET 259 N 1.71 0.00 -0.44 4.02 2.86 -1.90 -2.25 114.93 118.94 3ijp h MET 259 Ca -0.41 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.30 3ijp h MET 259 Cb 1.27 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.86 3ijp h MET 259 CO 0.71 0.19 0.04 -0.07 1.06 0.00 0.00 176.91 178.84 3ijp h LEU 260 N 0.00 -0.10 -0.70 1.22 3.38 -1.96 0.14 115.31 117.30 3ijp h LEU 260 Ca -0.00 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3ijp h LEU 260 Cb 0.51 0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 3ijp h LEU 260 CO 0.02 -0.02 0.40 0.44 0.09 0.00 0.00 178.44 179.38 3ijp h ASP 261 N 0.16 0.85 -0.69 -0.43 3.32 -1.71 0.10 116.42 118.03 3ijp h ASP 261 Ca 0.22 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.12 3ijp h ASP 261 Cb 0.31 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 3ijp h ASP 261 CO -0.33 0.69 0.14 0.58 -1.72 0.00 0.00 179.24 178.59 3ijp h VAL 262 N 0.95 1.26 0.00 -1.35 2.07 -0.95 -3.30 116.25 114.94 3ijp h VAL 262 Ca 0.25 -1.01 -0.08 0.00 0.82 0.00 0.00 66.70 66.68 3ijp h VAL 262 Cb 0.00 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 3ijp h VAL 262 CO -0.04 0.38 -1.03 -0.07 0.02 0.00 0.00 177.57 176.83 3ijp h LEU 263 N 1.05 0.00 0.00 2.57 3.38 -0.48 -3.50 115.31 118.34 3ijp h LEU 263 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3ijp h LEU 263 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3ijp h LEU 263 CO 0.01 0.31 0.00 0.61 0.09 0.00 0.00 178.44 179.45 3ijp n GLY 264 N 1.27 -1.08 0.00 0.83 0.00 -0.02 -5.07 105.19 101.12 3ijp n GLY 264 Ca -0.03 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.37 3ijp n GLY 264 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22