#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j5i n GLU 5 N 0.00 1.59 -1.43 -0.72 4.71 -1.26 -2.03 120.64 121.50 2j5i n GLU 5 Ca 0.00 0.58 -0.16 0.00 -0.01 0.00 0.00 57.16 57.57 2j5i n GLU 5 Cb 0.00 -2.28 -0.07 0.00 -1.01 0.00 0.00 31.44 28.08 2j5i n GLU 5 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2j5i n GLY 6 N 3.10 1.48 0.15 0.62 0.00 -1.26 -4.88 105.19 104.40 2j5i n GLY 6 Ca 0.19 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.13 2j5i n GLY 6 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2j5i h ARG 7 N 0.00 0.27 -6.22 1.61 2.43 -1.75 -3.45 114.38 107.26 2j5i h ARG 7 Ca -0.32 -0.23 -0.57 0.00 -0.81 0.00 0.00 59.98 58.05 2j5i h ARG 7 Cb 1.11 0.05 -0.19 0.00 -0.42 0.00 0.00 29.97 30.52 2j5i h ARG 7 CO 0.47 0.89 -0.81 -1.58 -1.51 0.00 0.00 179.97 177.43 2j5i s TRP 8 N -3.52 1.96 0.06 2.20 0.51 -1.26 -5.05 118.94 113.84 2j5i s TRP 8 Ca -0.04 -0.42 -0.16 0.00 -2.12 0.00 0.00 56.10 53.36 2j5i s TRP 8 Cb 0.11 -1.01 -0.18 0.00 -0.81 0.00 0.00 33.47 31.58 2j5i s TRP 8 CO 0.82 0.34 1.24 -0.22 -0.51 0.00 0.00 176.95 178.62 2j5i h LYS 9 N 3.49 0.63 -0.01 4.98 3.64 -1.98 -3.39 116.57 123.94 2j5i h LYS 9 Ca -0.45 -0.54 0.00 0.00 -1.27 0.00 0.00 60.65 58.39 2j5i h LYS 9 Cb 1.20 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 2j5i h LYS 9 CO 0.46 1.16 -0.08 0.25 -2.27 0.00 0.00 179.45 178.97 2j5i n THR 10 N -4.09 0.00 -3.98 1.00 -2.24 -1.26 -4.95 114.28 98.76 2j5i n THR 10 Ca -0.08 -0.46 -0.10 0.00 -2.27 0.00 0.00 64.05 61.14 2j5i n THR 10 Cb 0.69 1.15 -0.11 0.00 -2.10 0.00 0.00 70.33 69.95 2j5i n THR 10 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2j5i s VAL 11 N -0.99 0.15 -0.06 2.28 1.01 -1.26 -0.21 120.40 121.32 2j5i s VAL 11 Ca 0.09 -0.87 0.06 0.00 0.00 0.00 0.00 61.98 61.26 2j5i s VAL 11 Cb 0.07 -0.28 -0.01 0.00 0.00 0.00 0.00 36.38 36.16 2j5i s VAL 11 CO 0.16 -0.45 -0.24 -0.54 0.00 0.00 0.00 175.10 174.03 2j5i s LYS 12 N -1.38 2.53 -0.21 2.72 1.02 0.64 -4.35 119.74 120.72 2j5i s LYS 12 Ca -0.14 -0.87 -0.03 0.00 0.02 0.00 0.00 55.97 54.94 2j5i s LYS 12 Cb -0.09 -2.11 -0.01 0.00 -0.52 0.00 0.00 37.83 35.09 2j5i s LYS 12 CO -0.01 0.34 -0.05 0.08 -0.92 0.00 0.00 175.35 174.79 2j5i s VAL 13 N -0.07 3.38 -0.15 3.17 1.01 -1.26 0.72 120.40 127.21 2j5i s VAL 13 Ca -0.06 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.43 2j5i s VAL 13 Cb -0.14 -2.52 0.03 0.00 0.00 0.00 0.00 36.38 33.74 2j5i s VAL 13 CO 0.04 0.44 -0.12 -1.61 0.00 0.00 0.00 175.10 173.85 2j5i s GLU 14 N 1.28 2.09 -0.18 2.72 2.02 -0.43 -4.70 118.70 121.51 2j5i s GLU 14 Ca 0.03 -0.55 -0.08 0.00 0.02 0.00 0.00 54.97 54.39 2j5i s GLU 14 Cb -0.14 -2.07 -0.04 0.00 0.10 0.00 0.00 34.13 31.97 2j5i s GLU 14 CO -0.02 -0.28 0.10 0.42 0.02 0.00 0.00 175.26 175.49 2j5i s ILE 15 N 1.52 5.10 -0.20 -1.63 1.01 -1.26 -0.83 121.20 124.91 2j5i s ILE 15 Ca 0.04 0.08 -0.02 0.00 0.00 0.00 0.00 60.65 60.74 2j5i s ILE 15 Cb -0.13 -3.30 0.06 0.00 0.01 0.00 0.00 42.46 39.09 2j5i s ILE 15 CO -0.10 0.47 0.02 -1.83 0.00 0.00 0.00 174.94 173.50 2j5i s GLU 16 N 0.19 0.84 -1.28 2.79 -1.05 -0.07 -4.93 118.70 115.20 2j5i s GLU 16 Ca 0.07 -0.50 -0.00 0.00 -0.15 0.00 0.00 54.97 54.38 2j5i s GLU 16 Cb -0.12 -2.15 -0.00 0.00 -0.44 0.00 0.00 34.13 31.42 2j5i s GLU 16 CO -0.00 -0.62 0.78 -0.25 0.95 0.00 0.00 175.26 176.12 2j5i n ASP 17 N 4.98 -1.41 0.00 0.83 8.00 -1.26 -1.96 116.55 125.73 2j5i n ASP 17 Ca -0.09 -0.77 0.00 0.00 0.71 0.00 0.00 54.79 54.64 2j5i n ASP 17 Cb 0.47 -4.35 0.00 0.00 -0.02 0.00 0.00 41.12 37.22 2j5i n ASP 17 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2j5i n GLY 18 N -1.45 2.47 3.52 0.44 0.00 -1.25 -5.01 105.19 103.91 2j5i n GLY 18 Ca -0.30 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 2j5i n GLY 18 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2j5i s ILE 19 N -2.21 5.22 -0.46 -0.61 1.01 -0.83 0.29 121.20 123.61 2j5i s ILE 19 Ca 0.00 -0.21 -0.20 0.00 0.00 0.00 0.00 60.65 60.25 2j5i s ILE 19 Cb 0.00 -3.66 0.03 0.00 0.01 0.00 0.00 42.46 38.84 2j5i s ILE 19 CO 0.00 0.02 0.60 0.00 0.00 0.00 0.00 174.94 175.56 2j5i s ALA 20 N 1.71 3.37 -0.23 9.38 0.00 0.13 -0.89 121.76 135.23 2j5i s ALA 20 Ca 0.06 -1.44 -0.28 0.00 0.00 0.00 0.00 51.96 50.30 2j5i s ALA 20 Cb -0.17 -3.28 0.01 0.00 0.00 0.00 0.00 23.12 19.68 2j5i s ALA 20 CO 0.10 -1.83 1.01 -0.06 0.00 0.00 0.00 175.76 174.97 2j5i s PHE 21 N 2.65 3.34 -0.26 0.00 0.40 -0.01 -0.96 117.98 123.14 2j5i s PHE 21 Ca 0.18 1.42 -0.08 0.00 -0.60 0.00 0.00 56.93 57.85 2j5i s PHE 21 Cb -0.16 -3.23 -0.02 0.00 0.51 0.00 0.00 43.02 40.11 2j5i s PHE 21 CO 0.16 -0.47 0.08 0.08 0.70 0.00 0.00 175.22 175.77 2j5i s VAL 22 N 3.14 4.32 -0.25 -0.44 1.01 0.11 -1.31 120.40 126.98 2j5i s VAL 22 Ca 0.43 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.17 2j5i s VAL 22 Cb -0.15 -3.06 0.05 0.00 0.00 0.00 0.00 36.38 33.21 2j5i s VAL 22 CO 0.06 0.28 -0.11 -0.63 0.00 0.00 0.00 175.10 174.71 2j5i s ILE 23 N 1.61 2.34 0.14 2.22 1.01 0.22 -1.08 121.20 127.67 2j5i s ILE 23 Ca 0.06 -1.41 -0.31 0.00 0.00 0.00 0.00 60.65 58.99 2j5i s ILE 23 Cb -0.16 -2.29 -0.10 0.00 0.01 0.00 0.00 42.46 39.93 2j5i s ILE 23 CO 0.04 0.09 1.57 -0.76 0.00 0.00 0.00 174.94 175.87 2j5i s LEU 24 N 1.18 4.37 -0.46 2.97 1.43 0.61 -0.26 118.68 128.52 2j5i s LEU 24 Ca -0.05 2.57 0.09 0.00 -1.03 0.00 0.00 54.13 55.71 2j5i s LEU 24 Cb -0.18 -3.59 0.34 0.00 0.03 0.00 0.00 46.19 42.79 2j5i s LEU 24 CO -0.06 -0.82 0.80 -3.20 0.23 0.00 0.00 176.35 173.30 2j5i n ASN 25 N 4.25 2.26 -2.93 2.29 4.05 0.70 -0.21 115.26 125.68 2j5i n ASN 25 Ca 0.14 -3.26 -0.25 0.00 0.45 0.00 0.00 54.58 51.66 2j5i n ASN 25 Cb 0.39 -0.60 -0.03 0.00 1.23 0.00 0.00 39.78 40.77 2j5i n ASN 25 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 2j5i n ARG 26 N 0.15 2.76 0.26 1.20 1.74 -1.26 -4.55 116.66 116.97 2j5i n ARG 26 Ca 0.27 -4.49 0.09 0.00 -0.77 0.00 0.00 57.85 52.95 2j5i n ARG 26 Cb 0.54 -2.11 0.68 0.00 -1.02 0.00 0.00 32.46 30.56 2j5i n ARG 26 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2j5i h PRO 27 N 2.94 0.00 0.00 5.56 0.13 -1.87 0.18 132.00 138.95 2j5i h PRO 27 Ca 0.13 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.25 2j5i h PRO 27 Cb 0.66 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.78 2j5i h PRO 27 CO 0.75 0.04 -0.08 0.93 -0.23 0.00 0.00 178.00 179.41 2j5i h GLU 28 N 0.00 0.00 -0.38 0.86 4.39 -1.94 -1.78 114.58 115.74 2j5i h GLU 28 Ca -0.00 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.51 2j5i h GLU 28 Cb 0.08 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 28.61 2j5i h GLU 28 CO 0.01 0.08 -0.05 1.63 -1.16 0.00 0.00 179.01 179.51 2j5i n LYS 29 N -4.19 1.88 -3.77 2.33 5.02 0.40 -4.95 118.16 114.88 2j5i n LYS 29 Ca -0.03 -3.18 -0.29 0.00 -2.02 0.00 0.00 58.31 52.80 2j5i n LYS 29 Cb 0.16 -1.83 -0.02 0.00 -0.02 0.00 0.00 35.03 33.32 2j5i n LYS 29 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2j5i n ARG 30 N -1.11 -2.96 -2.51 1.97 1.74 -0.67 -1.10 116.66 112.02 2j5i n ARG 30 Ca 0.34 0.36 -0.18 0.00 -0.77 0.00 0.00 57.85 57.60 2j5i n ARG 30 Cb 1.06 -5.05 -0.00 0.00 -1.02 0.00 0.00 32.46 27.45 2j5i n ARG 30 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2j5i n ASN 31 N -2.39 -5.14 -4.65 0.55 3.02 0.13 -1.18 115.26 105.60 2j5i n ASN 31 Ca 0.04 0.02 -0.43 0.00 -0.03 0.00 0.00 54.58 54.18 2j5i n ASN 31 Cb 0.51 -4.29 -0.00 0.00 -0.61 0.00 0.00 39.78 35.38 2j5i n ASN 31 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2j5i n ALA 32 N -2.29 0.58 -2.95 5.41 0.00 -0.26 -4.29 120.51 116.71 2j5i n ALA 32 Ca -0.19 0.34 -0.44 0.00 0.00 0.00 0.00 53.44 53.15 2j5i n ALA 32 Cb 0.65 -2.14 -0.03 0.00 0.00 0.00 0.00 19.45 17.92 2j5i n ALA 32 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2j5i s MET 33 N -1.82 3.33 0.66 0.00 1.00 0.52 -4.67 119.30 118.31 2j5i s MET 33 Ca 0.58 -1.38 -0.10 0.00 0.00 0.00 0.00 55.69 54.79 2j5i s MET 33 Cb -0.61 -4.54 -0.00 0.00 0.00 0.00 0.00 34.83 29.68 2j5i s MET 33 CO 0.60 -1.73 1.04 -1.54 0.00 0.00 0.00 175.02 173.39 2j5i s SER 34 N 3.60 5.69 0.36 3.03 1.04 -1.26 -2.38 113.70 123.77 2j5i s SER 34 Ca 0.25 1.13 0.10 0.00 0.48 0.00 0.00 55.95 57.90 2j5i s SER 34 Cb -0.13 -2.04 0.84 0.00 0.10 0.00 0.00 66.02 64.80 2j5i s SER 34 CO 0.00 -1.16 1.87 -0.65 0.98 0.00 0.00 173.24 174.29 2j5i h PRO 35 N -0.47 0.64 -0.13 4.02 0.11 -1.90 -0.79 132.00 133.48 2j5i h PRO 35 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2j5i h PRO 35 Cb 1.24 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2j5i h PRO 35 CO 0.63 0.42 0.08 1.15 -0.21 0.00 0.00 178.00 180.08 2j5i h THR 36 N 0.66 1.05 -0.81 -1.15 2.02 -2.00 -1.69 112.91 110.99 2j5i h THR 36 Ca 0.44 -0.11 0.03 0.00 0.77 0.00 0.00 66.41 67.54 2j5i h THR 36 Cb 0.75 0.89 -0.05 0.00 -1.74 0.00 0.00 68.15 68.00 2j5i h THR 36 CO -0.20 0.05 0.52 0.25 0.37 0.00 0.00 175.52 176.51 2j5i h LEU 37 N 0.16 0.86 -0.46 2.58 6.46 -1.73 -0.84 115.31 122.34 2j5i h LEU 37 Ca 0.05 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 2j5i h LEU 37 Cb 0.00 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 39.72 2j5i h LEU 37 CO -0.01 0.59 0.30 0.78 -0.62 0.00 0.00 178.44 179.48 2j5i h ASN 38 N 1.01 0.54 -0.70 1.25 2.35 -0.84 0.22 115.58 119.41 2j5i h ASN 38 Ca 0.33 -0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 56.01 2j5i h ASN 38 Cb 0.01 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.22 2j5i h ASN 38 CO -0.12 0.41 0.31 0.03 -1.65 0.00 0.00 177.43 176.42 2j5i h ARG 39 N 0.63 1.02 -0.54 0.81 3.08 -1.00 -2.00 114.38 116.38 2j5i h ARG 39 Ca 0.17 -0.17 -0.12 0.00 0.07 0.00 0.00 59.98 59.94 2j5i h ARG 39 Cb -0.05 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.81 2j5i h ARG 39 CO -0.03 0.82 -0.12 0.93 -1.07 0.00 0.00 179.97 180.50 2j5i h GLU 40 N 0.98 1.04 -0.34 0.04 5.08 -0.82 -2.79 114.58 117.77 2j5i h GLU 40 Ca 0.24 -0.39 -0.05 0.00 -1.00 0.00 0.00 59.36 58.15 2j5i h GLU 40 Cb 0.16 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2j5i h GLU 40 CO -0.02 1.08 -0.02 0.52 -1.00 0.00 0.00 179.01 179.56 2j5i h MET 41 N 0.92 0.53 -0.05 2.33 2.86 -0.28 0.52 114.93 121.76 2j5i h MET 41 Ca 0.14 -0.12 0.02 0.00 -2.06 0.00 0.00 59.70 57.68 2j5i h MET 41 Cb 0.69 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.25 2j5i h MET 41 CO 0.05 0.58 -0.10 0.82 1.06 0.00 0.00 176.91 179.32 2j5i h ILE 42 N 0.51 0.74 -0.67 -1.22 2.04 -1.29 -1.51 117.51 116.11 2j5i h ILE 42 Ca 0.11 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.98 2j5i h ILE 42 Cb 0.37 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 37.15 2j5i h ILE 42 CO 0.01 0.00 0.44 -0.78 0.00 0.00 0.00 178.15 177.82 2j5i h ASP 43 N -0.14 0.75 -0.23 1.72 3.58 -1.17 -1.23 116.42 119.70 2j5i h ASP 43 Ca 0.06 -0.02 0.02 0.00 0.42 0.00 0.00 57.03 57.51 2j5i h ASP 43 Cb 0.22 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.06 2j5i h ASP 43 CO -0.14 0.54 0.07 0.58 -2.88 0.00 0.00 179.24 177.42 2j5i h VAL 44 N 0.89 0.94 -0.40 2.25 2.07 -0.68 -0.53 116.25 120.79 2j5i h VAL 44 Ca 0.25 -0.06 -0.05 0.00 0.82 0.00 0.00 66.70 67.65 2j5i h VAL 44 Cb -0.08 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 2j5i h VAL 44 CO -0.06 0.03 0.04 -0.07 0.02 0.00 0.00 177.57 177.53 2j5i h LEU 45 N 0.18 0.66 -0.88 2.57 3.38 -1.02 0.06 115.31 120.26 2j5i h LEU 45 Ca 0.10 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 2j5i h LEU 45 Cb 0.07 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 2j5i h LEU 45 CO -0.11 0.78 0.22 -0.33 0.09 0.00 0.00 178.44 179.09 2j5i h GLU 46 N 0.52 1.04 0.03 1.13 5.08 -1.13 -1.60 114.58 119.66 2j5i h GLU 46 Ca 0.12 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2j5i h GLU 46 Cb 0.42 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2j5i h GLU 46 CO 0.01 0.89 -0.02 1.15 -1.00 0.00 0.00 179.01 180.05 2j5i h THR 47 N 1.01 1.20 0.00 1.13 2.02 -0.82 -3.13 112.91 114.31 2j5i h THR 47 Ca 0.22 -0.74 -0.04 0.00 0.77 0.00 0.00 66.41 66.63 2j5i h THR 47 Cb 0.28 1.69 -0.01 0.00 -1.74 0.00 0.00 68.15 68.37 2j5i h THR 47 CO -0.01 0.19 -0.19 -0.07 0.37 0.00 0.00 175.52 175.81 2j5i h LEU 48 N -0.37 0.00 -1.19 2.58 3.38 -0.94 -2.60 115.31 116.17 2j5i h LEU 48 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2j5i h LEU 48 Cb 0.34 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 2j5i h LEU 48 CO 0.01 0.19 0.38 -0.08 0.09 0.00 0.00 178.44 179.02 2j5i h GLU 49 N 0.00 0.94 -0.26 1.13 4.81 -1.23 -2.51 114.58 117.46 2j5i h GLU 49 Ca -0.00 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 2j5i h GLU 49 Cb 0.56 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.75 2j5i h GLU 49 CO 0.02 0.68 0.00 1.04 -0.73 0.00 0.00 179.01 180.03 2j5i n GLN 50 N -4.37 2.29 -3.33 1.92 1.13 -1.00 -4.85 117.38 109.17 2j5i n GLN 50 Ca 0.07 -1.93 -0.43 0.00 -1.94 0.00 0.00 57.00 52.76 2j5i n GLN 50 Cb 0.09 -1.48 -0.08 0.00 0.11 0.00 0.00 30.24 28.88 2j5i n GLN 50 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2j5i s ASP 51 N -1.63 6.18 0.11 1.08 3.68 -0.95 -4.95 116.67 120.19 2j5i s ASP 51 Ca 0.35 -0.88 0.14 0.00 2.13 0.00 0.00 52.55 54.29 2j5i s ASP 51 Cb 0.21 -2.21 0.64 0.00 -1.45 0.00 0.00 42.92 40.10 2j5i s ASP 51 CO 0.30 -0.62 1.44 -0.81 0.13 0.00 0.00 175.17 175.61 2j5i n PRO 52 N 5.53 0.07 0.25 4.34 -0.04 -1.26 -1.31 135.00 142.57 2j5i n PRO 52 Ca -0.09 0.41 0.16 0.00 -0.04 0.00 0.00 63.50 63.94 2j5i n PRO 52 Cb 0.46 -1.66 0.62 0.00 -0.04 0.00 0.00 33.50 32.88 2j5i n PRO 52 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2j5i h ALA 53 N 2.25 1.00 -2.67 0.55 0.00 -1.94 -3.41 119.26 115.04 2j5i h ALA 53 Ca 0.00 0.00 -0.70 0.00 0.00 0.00 0.00 54.91 54.21 2j5i h ALA 53 Cb 0.18 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 17.75 2j5i h ALA 53 CO 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 179.25 178.77 2j5i s ALA 54 N -3.58 3.40 -0.05 0.00 0.00 -0.43 -3.75 121.76 117.36 2j5i s ALA 54 Ca 0.02 -1.62 0.17 0.00 0.00 0.00 0.00 51.96 50.53 2j5i s ALA 54 Cb 0.09 -2.71 -0.25 0.00 0.00 0.00 0.00 23.12 20.25 2j5i s ALA 54 CO 0.53 -1.28 0.32 0.41 0.00 0.00 0.00 175.76 175.74 2j5i n GLY 55 N 5.08 -0.78 2.97 0.00 0.00 0.15 -4.91 105.19 107.69 2j5i n GLY 55 Ca -0.12 -0.38 -0.12 0.00 0.00 0.00 0.00 46.02 45.40 2j5i n GLY 55 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2j5i s VAL 56 N -3.04 0.02 -0.13 1.61 1.01 -0.83 -4.27 120.40 114.77 2j5i s VAL 56 Ca -0.07 -0.13 -0.02 0.00 0.00 0.00 0.00 61.98 61.77 2j5i s VAL 56 Cb 0.10 -0.15 -0.03 0.00 0.00 0.00 0.00 36.38 36.30 2j5i s VAL 56 CO 0.70 -0.07 -0.04 -0.76 0.00 0.00 0.00 175.10 174.92 2j5i s LEU 57 N -0.19 3.24 -0.17 3.92 1.02 -0.50 -0.69 118.68 125.31 2j5i s LEU 57 Ca -0.02 -0.08 0.01 0.00 0.02 0.00 0.00 54.13 54.05 2j5i s LEU 57 Cb -0.02 -1.76 0.02 0.00 0.02 0.00 0.00 46.19 44.45 2j5i s LEU 57 CO 0.00 0.24 -0.18 -0.69 0.02 0.00 0.00 176.35 175.73 2j5i s VAL 58 N -0.04 1.91 -0.25 -1.59 1.01 -0.13 -0.49 120.40 120.82 2j5i s VAL 58 Ca 0.01 -0.85 -0.13 0.00 0.00 0.00 0.00 61.98 61.01 2j5i s VAL 58 Cb -0.13 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 2j5i s VAL 58 CO 0.03 0.52 0.27 -0.22 0.00 0.00 0.00 175.10 175.69 2j5i s LEU 59 N 1.31 4.07 0.26 3.92 2.96 0.13 0.07 118.68 131.41 2j5i s LEU 59 Ca 0.04 0.20 -0.03 0.00 -0.22 0.00 0.00 54.13 54.11 2j5i s LEU 59 Cb -0.13 -2.27 -0.02 0.00 0.50 0.00 0.00 46.19 44.27 2j5i s LEU 59 CO -0.11 -0.06 0.31 0.28 -1.32 0.00 0.00 176.35 175.45 2j5i s THR 60 N 1.59 0.00 0.09 3.68 -1.32 -0.24 -0.49 115.64 118.95 2j5i s THR 60 Ca 0.11 -1.76 0.09 0.00 -1.21 0.00 0.00 61.69 58.92 2j5i s THR 60 Cb -0.15 -2.45 -0.04 0.00 -1.51 0.00 0.00 72.50 68.35 2j5i s THR 60 CO 0.08 0.00 -0.20 -0.83 -2.21 0.00 0.00 174.62 171.46 2j5i s GLY 61 N -3.17 1.62 0.42 6.08 0.00 -1.26 -0.28 107.32 110.73 2j5i s GLY 61 Ca 0.33 -1.32 -0.22 0.00 0.00 0.00 0.00 44.72 43.51 2j5i s GLY 61 CO 0.15 -1.27 1.00 0.00 0.00 0.00 0.00 173.10 172.99 2j5i s ALA 62 N -1.04 3.03 0.00 3.20 0.00 0.70 -4.82 121.76 122.83 2j5i s ALA 62 Ca 0.16 0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.68 2j5i s ALA 62 Cb -0.10 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.80 2j5i s ALA 62 CO 0.07 -0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.15 2j5i n GLY 63 N -0.09 -0.07 0.16 0.00 0.00 -1.26 -3.92 105.19 100.01 2j5i n GLY 63 Ca 0.06 -0.99 0.13 0.00 0.00 0.00 0.00 46.02 45.22 2j5i n GLY 63 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2j5i h GLU 64 N 0.00 0.00 -6.13 1.61 5.08 -1.90 -3.46 114.58 109.79 2j5i h GLU 64 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 2j5i h GLU 64 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 2j5i h GLU 64 CO 0.00 0.00 -0.49 0.00 -1.00 0.00 0.00 179.01 177.52 2j5i s ALA 65 N -3.17 3.82 0.00 3.43 0.00 -1.25 -3.28 121.76 121.31 2j5i s ALA 65 Ca 0.09 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 50.89 2j5i s ALA 65 Cb 0.09 -1.61 0.00 0.00 0.00 0.00 0.00 23.12 21.59 2j5i s ALA 65 CO 0.63 0.45 0.00 1.87 0.00 0.00 0.00 175.76 178.71 2j5i n TRP 66 N -0.69 0.00 -3.70 0.00 -0.00 -0.02 -4.09 117.44 108.95 2j5i n TRP 66 Ca -0.08 0.00 -0.11 0.00 -0.00 0.00 0.00 57.50 57.31 2j5i n TRP 66 Cb 0.55 -0.32 -0.10 0.00 -0.00 0.00 0.00 31.31 31.44 2j5i n TRP 66 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 177.69 177.61 2j5i s THR 67 N -0.83 -0.01 -1.39 5.87 -1.32 -0.56 -4.26 115.64 113.14 2j5i s THR 67 Ca 0.00 0.04 0.18 0.00 -1.21 0.00 0.00 61.69 60.71 2j5i s THR 67 Cb 0.00 -0.67 0.30 0.00 -1.51 0.00 0.00 72.50 70.63 2j5i s THR 67 CO 0.00 0.02 1.56 0.00 -2.21 0.00 0.00 174.62 173.98 2j5i n ALA 68 N 3.67 1.97 0.00 11.08 0.00 -0.33 -1.59 120.51 135.31 2j5i n ALA 68 Ca -0.19 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.17 2j5i n ALA 68 Cb 0.56 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.72 2j5i n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2j5i n GLY 69 N 0.27 -0.09 3.77 0.00 0.00 -1.18 -4.29 105.19 103.67 2j5i n GLY 69 Ca 0.08 -2.11 -0.38 0.00 0.00 0.00 0.00 46.02 43.62 2j5i n GLY 69 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2j5i s MET 70 N 0.00 4.06 -1.20 1.61 -1.94 -1.26 -0.36 119.30 120.20 2j5i s MET 70 Ca 0.00 1.76 -0.15 0.00 -1.71 0.00 0.00 55.69 55.59 2j5i s MET 70 Cb 0.00 -2.63 0.15 0.00 2.01 0.00 0.00 34.83 34.36 2j5i s MET 70 CO 0.00 -0.29 1.47 0.34 -0.01 0.00 0.00 175.02 176.52 2j5i s ASP 71 N -1.25 7.00 0.29 3.03 -1.08 -1.00 -4.62 116.67 119.03 2j5i s ASP 71 Ca 0.58 -2.83 0.15 0.00 -0.52 0.00 0.00 52.55 49.93 2j5i s ASP 71 Cb -0.28 -2.43 0.18 0.00 -1.46 0.00 0.00 42.92 38.92 2j5i s ASP 71 CO 0.36 -0.84 1.49 -0.07 0.52 0.00 0.00 175.17 176.63 2j5i h LEU 72 N 10.27 0.00 0.00 -1.34 4.07 -1.91 -0.79 115.31 125.61 2j5i h LEU 72 Ca 0.33 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.29 2j5i h LEU 72 Cb 0.88 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.62 2j5i h LEU 72 CO 1.27 0.52 0.00 1.17 -1.08 0.00 0.00 178.44 180.32 2j5i n LYS 73 N -3.30 0.00 0.23 1.13 3.00 -1.26 0.26 118.16 118.22 2j5i n LYS 73 Ca 0.01 0.81 0.07 0.00 -0.00 0.00 0.00 58.31 59.20 2j5i n LYS 73 Cb 0.70 -1.26 0.54 0.00 0.00 0.00 0.00 35.03 35.01 2j5i n LYS 73 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 2j5i h GLU 74 N 0.00 0.00 -0.01 1.64 5.08 -1.88 -0.31 114.58 119.11 2j5i h GLU 74 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2j5i h GLU 74 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2j5i h GLU 74 CO 0.00 0.20 0.00 -0.92 -1.00 0.00 0.00 179.01 177.29 2j5i h TYR 75 N 0.00 0.01 0.00 4.33 3.20 -0.98 -1.64 116.97 121.89 2j5i h TYR 75 Ca -0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2j5i h TYR 75 Cb 0.38 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.65 2j5i h TYR 75 CO 0.00 0.28 0.00 1.19 -1.64 0.00 0.00 178.16 177.99 2j5i n PHE 76 N -4.95 0.11 0.02 -3.82 3.01 0.14 -0.91 117.46 111.06 2j5i n PHE 76 Ca -0.08 0.03 -0.01 0.00 1.01 0.00 0.00 57.45 58.41 2j5i n PHE 76 Cb 0.15 -0.56 -0.00 0.00 -0.01 0.00 0.00 39.48 39.06 2j5i n PHE 76 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2j5i h ARG 77 N 0.00 -0.05 0.14 -1.08 3.08 -0.98 -3.02 114.38 112.46 2j5i h ARG 77 Ca 0.00 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.07 2j5i h ARG 77 Cb 0.51 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.54 2j5i h ARG 77 CO 0.00 -0.03 -0.28 1.05 -1.07 0.00 0.00 179.97 179.64 2j5i h GLU 78 N -0.07 -0.48 -0.32 0.04 4.11 -0.97 -2.83 114.58 114.05 2j5i h GLU 78 Ca -0.01 0.03 0.07 0.00 0.07 0.00 0.00 59.36 59.52 2j5i h GLU 78 Cb 0.04 0.11 -0.08 0.00 0.50 0.00 0.00 28.75 29.32 2j5i h GLU 78 CO 0.01 -0.32 -0.36 0.28 0.07 0.00 0.00 179.01 178.68 2j5i h VAL 79 N -0.50 0.20 -0.22 -1.06 2.07 -1.23 -2.72 116.25 112.79 2j5i h VAL 79 Ca 0.03 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.50 2j5i h VAL 79 Cb 0.52 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 2j5i h VAL 79 CO -0.15 0.00 -0.09 0.44 0.02 0.00 0.00 177.57 177.79 2j5i h ASP 80 N -0.33 0.33 -0.95 0.57 3.32 -1.40 -1.55 116.42 116.41 2j5i h ASP 80 Ca 0.14 -0.07 -0.58 0.00 0.02 0.00 0.00 57.03 56.54 2j5i h ASP 80 Cb 0.56 -0.09 -0.29 0.00 0.22 0.00 0.00 39.33 39.73 2j5i h ASP 80 CO -0.50 0.46 0.66 0.00 -1.72 0.00 0.00 179.24 178.14 2j5i n ALA 81 N -2.49 5.89 -2.57 3.45 0.00 -1.08 -4.96 120.51 118.76 2j5i n ALA 81 Ca 0.00 -3.25 -0.13 0.00 0.00 0.00 0.00 53.44 50.06 2j5i n ALA 81 Cb 0.26 -1.53 -0.07 0.00 0.00 0.00 0.00 19.45 18.11 2j5i n ALA 81 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2j5i s GLY 82 N -1.75 1.40 0.82 0.00 0.00 -0.58 -5.00 107.32 102.21 2j5i s GLY 82 Ca 0.60 -1.55 -0.11 0.00 0.00 0.00 0.00 44.72 43.67 2j5i s GLY 82 CO 0.04 -1.16 1.12 -4.14 0.00 0.00 0.00 173.10 168.96 2j5i s PRO 83 N -3.79 1.77 0.24 2.90 0.02 -1.26 -4.94 135.00 129.94 2j5i s PRO 83 Ca 0.34 1.36 -0.05 0.00 0.02 0.00 0.00 61.00 62.68 2j5i s PRO 83 Cb 0.03 -1.83 0.39 0.00 0.02 0.00 0.00 34.50 33.11 2j5i s PRO 83 CO 0.16 -2.04 1.81 1.49 -0.33 0.00 0.00 177.00 178.09 2j5i h GLU 84 N -1.34 0.77 0.00 5.54 4.22 -2.00 -1.77 114.58 120.01 2j5i h GLU 84 Ca -0.44 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 58.96 2j5i h GLU 84 Cb 1.25 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2j5i h GLU 84 CO 0.47 0.51 0.00 0.97 -2.18 0.00 0.00 179.01 178.79 2j5i h ILE 85 N 0.80 0.00 -0.61 2.32 2.10 -1.98 -2.09 117.51 118.05 2j5i h ILE 85 Ca 0.39 -0.20 0.06 0.00 1.08 0.00 0.00 64.86 66.19 2j5i h ILE 85 Cb 0.34 0.94 -0.04 0.00 -1.09 0.00 0.00 36.82 36.98 2j5i h ILE 85 CO -0.24 0.00 0.40 0.25 -1.08 0.00 0.00 178.15 177.48 2j5i h LEU 86 N 0.00 0.53 -1.24 2.19 5.85 -1.68 -2.17 115.31 118.79 2j5i h LEU 86 Ca 0.00 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.77 2j5i h LEU 86 Cb 0.26 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 2j5i h LEU 86 CO 0.00 0.35 0.53 -0.61 -0.34 0.00 0.00 178.44 178.38 2j5i h GLN 87 N 0.61 0.92 -0.85 1.25 4.15 -1.56 -1.46 115.11 118.18 2j5i h GLN 87 Ca 0.26 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.60 2j5i h GLN 87 Cb 0.25 -0.21 -0.04 0.00 0.21 0.00 0.00 27.48 27.69 2j5i h GLN 87 CO -0.08 0.61 0.45 0.93 -1.93 0.00 0.00 178.83 178.82 2j5i h GLU 88 N 0.95 1.19 -0.08 1.69 4.39 -1.57 -0.77 114.58 120.37 2j5i h GLU 88 Ca 0.34 -0.15 -0.02 0.00 0.34 0.00 0.00 59.36 59.88 2j5i h GLU 88 Cb 0.14 -0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 28.56 2j5i h GLU 88 CO -0.11 0.88 -0.02 -0.22 -1.16 0.00 0.00 179.01 178.38 2j5i h LYS 89 N 1.18 0.15 -0.61 2.33 3.64 -1.41 -1.24 116.57 120.60 2j5i h LYS 89 Ca 0.30 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.66 2j5i h LYS 89 Cb 0.05 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.81 2j5i h LYS 89 CO -0.05 0.46 0.37 0.82 -2.27 0.00 0.00 179.45 178.78 2j5i h ILE 90 N -0.18 1.04 -0.37 2.00 2.04 -1.08 -0.28 117.51 120.68 2j5i h ILE 90 Ca 0.02 -0.24 -0.12 0.00 1.00 0.00 0.00 64.86 65.51 2j5i h ILE 90 Cb 0.41 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 2j5i h ILE 90 CO 0.01 0.13 -0.25 0.03 0.00 0.00 0.00 178.15 178.07 2j5i h ARG 91 N 0.71 0.82 -0.37 2.37 3.08 -1.15 -1.84 114.38 118.00 2j5i h ARG 91 Ca 0.25 -0.39 0.02 0.00 0.07 0.00 0.00 59.98 59.94 2j5i h ARG 91 Cb 0.06 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 2j5i h ARG 91 CO -0.12 1.02 0.19 -0.09 -1.07 0.00 0.00 179.97 179.90 2j5i h ARG 92 N 0.61 0.37 -0.97 0.04 2.43 -0.87 -2.06 114.38 113.93 2j5i h ARG 92 Ca 0.07 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.23 2j5i h ARG 92 Cb 0.81 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 30.23 2j5i h ARG 92 CO 0.07 0.25 0.64 0.93 -1.51 0.00 0.00 179.97 180.35 2j5i h GLU 93 N 0.39 1.27 0.42 0.20 5.08 -0.94 0.19 114.58 121.19 2j5i h GLU 93 Ca 0.15 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 2j5i h GLU 93 Cb 0.05 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.02 2j5i h GLU 93 CO -0.10 0.84 -0.20 0.00 -1.00 0.00 0.00 179.01 178.55 2j5i h ALA 94 N 1.40 -0.57 -0.60 3.43 0.00 -1.06 -3.03 119.26 118.83 2j5i h ALA 94 Ca 0.36 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.14 2j5i h ALA 94 Cb -0.14 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2j5i h ALA 94 CO -0.08 -0.80 0.40 0.77 0.00 0.00 0.00 179.25 179.54 2j5i h SER 95 N -0.60 0.68 -0.35 0.00 0.02 -1.15 -2.13 113.55 110.02 2j5i h SER 95 Ca -0.06 -0.02 0.04 0.00 -0.84 0.00 0.00 61.79 60.91 2j5i h SER 95 Cb 0.45 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.79 2j5i h SER 95 CO 0.10 0.49 0.14 -0.61 -1.14 0.00 0.00 176.83 175.80 2j5i h GLN 96 N 0.80 0.28 0.06 3.45 5.75 -0.50 -0.48 115.11 124.48 2j5i h GLN 96 Ca 0.22 -0.02 -0.30 0.00 -0.15 0.00 0.00 58.65 58.40 2j5i h GLN 96 Cb -0.07 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.38 2j5i h GLN 96 CO -0.05 0.19 -1.64 0.11 -2.65 0.00 0.00 178.83 174.79 2j5i h TRP 97 N 0.29 0.22 -0.09 3.99 5.08 -1.54 0.14 115.95 124.05 2j5i h TRP 97 Ca 0.16 -0.16 -0.10 0.00 1.08 0.00 0.00 58.89 59.86 2j5i h TRP 97 Cb 0.11 -0.01 -0.01 0.00 -3.00 0.00 0.00 29.16 26.25 2j5i h TRP 97 CO -0.13 1.26 -0.38 1.96 -1.28 0.00 0.00 178.44 179.87 2j5i h GLN 98 N 0.03 0.19 0.00 0.12 4.20 -1.16 -3.32 115.11 115.18 2j5i h GLN 98 Ca -0.27 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.35 2j5i h GLN 98 Cb 1.99 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.77 2j5i h GLN 98 CO 0.11 0.55 0.00 -2.67 -0.67 0.00 0.00 178.83 176.15 2j5i n TRP 99 N -4.05 0.00 -0.06 2.96 4.27 -0.83 -3.39 117.44 116.34 2j5i n TRP 99 Ca -0.01 0.00 -0.10 0.00 -3.89 0.00 0.00 57.50 53.50 2j5i n TRP 99 Cb 0.45 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 30.37 2j5i n TRP 99 CO 0.00 0.00 0.00 0.87 -2.29 0.00 0.00 177.69 176.27 2j5i h LYS 100 N 0.00 0.33 0.09 -2.67 1.57 -1.11 -0.56 116.57 114.21 2j5i h LYS 100 Ca 0.00 -0.04 -0.28 0.00 -1.87 0.00 0.00 60.65 58.46 2j5i h LYS 100 Cb 0.00 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2j5i h LYS 100 CO 0.00 0.29 -1.40 -0.07 -0.57 0.00 0.00 179.45 177.70 2j5i h LEU 101 N 0.28 0.29 0.22 2.94 3.38 -0.92 -3.41 115.31 118.09 2j5i h LEU 101 Ca 0.08 -0.38 -0.34 0.00 0.09 0.00 0.00 57.88 57.34 2j5i h LEU 101 Cb 0.05 -0.10 0.03 0.00 0.09 0.00 0.00 40.66 40.73 2j5i h LEU 101 CO -0.01 1.31 -1.54 0.25 0.09 0.00 0.00 178.44 178.54 2j5i h LEU 102 N 0.05 0.73 -0.82 1.67 5.85 -1.61 -2.96 115.31 118.22 2j5i h LEU 102 Ca -0.18 -0.86 -0.07 0.00 0.84 0.00 0.00 57.88 57.61 2j5i h LEU 102 Cb 1.96 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.73 2j5i h LEU 102 CO 0.16 1.69 0.13 -0.09 -0.34 0.00 0.00 178.44 179.99 2j5i h ARG 103 N 0.13 1.01 -1.15 1.25 2.43 -1.25 -2.59 114.38 114.21 2j5i h ARG 103 Ca -0.27 -0.24 -0.63 0.00 -0.81 0.00 0.00 59.98 58.03 2j5i h ARG 103 Cb 2.13 -0.13 -0.36 0.00 -0.42 0.00 0.00 29.97 31.19 2j5i h ARG 103 CO 0.24 0.91 0.04 -1.33 -1.51 0.00 0.00 179.97 178.32 2j5i n MET 104 N -4.24 3.15 -2.10 0.20 2.81 -1.26 -4.91 117.12 110.79 2j5i n MET 104 Ca 0.04 -3.84 -0.38 0.00 -1.81 0.00 0.00 57.70 51.71 2j5i n MET 104 Cb 0.26 -2.28 0.00 0.00 -0.71 0.00 0.00 33.22 30.50 2j5i n MET 104 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 2j5i s TYR 105 N -3.74 2.75 0.26 2.03 6.04 -0.98 -4.91 117.35 118.81 2j5i s TYR 105 Ca 0.55 1.47 0.27 0.00 0.04 0.00 0.00 57.07 59.40 2j5i s TYR 105 Cb 0.45 -3.55 1.24 0.00 -1.04 0.00 0.00 41.96 39.05 2j5i s TYR 105 CO -0.08 -1.95 1.96 0.00 -1.54 0.00 0.00 175.55 173.94 2j5i h ALA 106 N 2.14 1.12 -2.72 3.97 0.00 -1.92 -3.44 119.26 118.42 2j5i h ALA 106 Ca -0.50 -0.14 -0.58 0.00 0.00 0.00 0.00 54.91 53.69 2j5i h ALA 106 Cb 1.26 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.94 2j5i h ALA 106 CO 0.60 0.19 -0.60 0.15 0.00 0.00 0.00 179.25 179.59 2j5i s LYS 107 N -3.89 2.68 0.55 0.00 1.02 -1.26 -4.63 119.74 114.22 2j5i s LYS 107 Ca -0.01 -1.00 -0.20 0.00 0.02 0.00 0.00 55.97 54.78 2j5i s LYS 107 Cb 0.11 -2.51 -0.05 0.00 -0.52 0.00 0.00 37.83 34.87 2j5i s LYS 107 CO 0.60 0.46 1.23 -1.25 -0.92 0.00 0.00 175.35 175.47 2j5i s PRO 108 N -3.11 3.19 0.00 -1.68 0.04 -1.26 -4.86 135.00 127.32 2j5i s PRO 108 Ca 0.30 1.89 0.04 0.00 0.04 0.00 0.00 61.00 63.27 2j5i s PRO 108 Cb -0.09 -2.10 -0.01 0.00 0.04 0.00 0.00 34.50 32.33 2j5i s PRO 108 CO 0.21 -1.05 -0.12 0.95 0.04 0.00 0.00 177.00 177.04 2j5i s THR 109 N -1.53 0.92 -0.08 1.26 -4.23 -1.26 -1.41 115.64 109.32 2j5i s THR 109 Ca 0.73 -0.61 0.02 0.00 -1.18 0.00 0.00 61.69 60.64 2j5i s THR 109 Cb -0.32 -0.79 0.02 0.00 1.34 0.00 0.00 72.50 72.74 2j5i s THR 109 CO 0.36 0.18 -0.12 -0.63 -0.54 0.00 0.00 174.62 173.87 2j5i s ILE 110 N -0.43 1.17 -0.09 2.99 1.01 0.36 -2.25 121.20 123.95 2j5i s ILE 110 Ca 0.03 -0.46 -0.26 0.00 0.00 0.00 0.00 60.65 59.97 2j5i s ILE 110 Cb -0.05 -1.09 -0.03 0.00 0.01 0.00 0.00 42.46 41.30 2j5i s ILE 110 CO -0.00 0.37 0.81 0.00 0.00 0.00 0.00 174.94 176.12 2j5i s ALA 111 N 0.95 3.37 -0.56 9.38 0.00 0.39 -0.69 121.76 134.60 2j5i s ALA 111 Ca -0.09 0.18 -0.04 0.00 0.00 0.00 0.00 51.96 52.01 2j5i s ALA 111 Cb -0.15 -3.14 0.15 0.00 0.00 0.00 0.00 23.12 19.97 2j5i s ALA 111 CO 0.00 -0.34 0.39 1.41 0.00 0.00 0.00 175.76 177.21 2j5i s MET 112 N 1.37 2.47 -0.72 0.00 1.75 0.35 -0.94 119.30 123.58 2j5i s MET 112 Ca 0.41 -2.24 -0.20 0.00 -1.25 0.00 0.00 55.69 52.40 2j5i s MET 112 Cb -0.18 -3.76 0.10 0.00 2.84 0.00 0.00 34.83 33.83 2j5i s MET 112 CO 0.18 -1.16 0.93 0.08 -0.65 0.00 0.00 175.02 174.40 2j5i s VAL 113 N 0.44 4.63 -0.72 10.11 1.01 -0.14 -4.40 120.40 131.33 2j5i s VAL 113 Ca 0.13 -0.96 0.26 0.00 0.00 0.00 0.00 61.98 61.41 2j5i s VAL 113 Cb -0.21 -4.65 0.22 0.00 0.00 0.00 0.00 36.38 31.74 2j5i s VAL 113 CO -0.04 -1.36 1.66 -0.46 0.00 0.00 0.00 175.10 174.90 2j5i n ASN 114 N 6.85 0.76 0.00 3.32 6.94 -1.26 -1.55 115.26 130.33 2j5i n ASN 114 Ca 0.03 0.44 0.00 0.00 -0.02 0.00 0.00 54.58 55.03 2j5i n ASN 114 Cb 0.46 -0.52 0.00 0.00 -2.36 0.00 0.00 39.78 37.35 2j5i n ASN 114 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2j5i n GLY 115 N 1.32 1.93 3.63 4.83 0.00 -1.26 -4.64 105.19 111.01 2j5i n GLY 115 Ca 0.05 -0.13 -0.58 0.00 0.00 0.00 0.00 46.02 45.36 2j5i n GLY 115 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2j5i n TRP 116 N 0.00 1.52 -3.73 1.61 7.02 -1.20 -3.86 117.44 118.79 2j5i n TRP 116 Ca 0.00 0.80 -0.30 0.00 -1.02 0.00 0.00 57.50 56.98 2j5i n TRP 116 Cb 0.00 -2.30 -0.15 0.00 -2.42 0.00 0.00 31.31 26.44 2j5i n TRP 116 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2j5i s PHE 118 N 1.62 2.28 0.00 0.00 0.40 -0.62 -2.43 117.98 119.23 2j5i s PHE 118 Ca 0.10 -0.38 0.00 0.00 -0.60 0.00 0.00 56.93 56.04 2j5i s PHE 118 Cb -0.17 -1.23 0.00 0.00 0.51 0.00 0.00 43.02 42.13 2j5i s PHE 118 CO -0.25 0.34 0.00 0.41 0.70 0.00 0.00 175.22 176.41 2j5i n GLY 119 N 0.90 3.86 0.34 4.36 0.00 -0.62 -1.56 105.19 112.47 2j5i n GLY 119 Ca -0.18 0.18 0.18 0.00 0.00 0.00 0.00 46.02 46.20 2j5i n GLY 119 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2j5i h GLY 120 N 0.00 0.00 1.70 -0.02 0.00 -1.89 -1.21 103.07 101.66 2j5i h GLY 120 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.35 2j5i h GLY 120 CO 0.00 0.00 0.13 -1.33 0.00 0.00 0.00 176.54 175.34 2j5i h GLY 121 N 0.00 0.00 1.98 4.60 0.00 -1.56 -2.86 103.07 105.23 2j5i h GLY 121 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 2j5i h GLY 121 CO -0.00 0.00 0.01 0.74 0.00 0.00 0.00 176.54 177.29 2j5i h PHE 122 N 0.00 0.00 0.49 5.60 -1.00 -1.43 -2.14 116.94 118.46 2j5i h PHE 122 Ca 0.04 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.79 2j5i h PHE 122 Cb 0.29 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.86 2j5i h PHE 122 CO 0.00 0.00 -0.24 0.77 -1.61 0.00 0.00 178.31 177.23 2j5i h SER 123 N 0.00 -0.56 0.26 2.17 0.02 -1.74 -2.11 113.55 111.60 2j5i h SER 123 Ca 0.00 -0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 60.84 2j5i h SER 123 Cb 0.02 0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 2j5i h SER 123 CO -0.00 -0.17 -0.21 1.55 -1.14 0.00 0.00 176.83 176.86 2j5i h PRO 124 N -1.03 0.00 -0.73 3.45 0.13 -1.56 -0.57 132.00 131.69 2j5i h PRO 124 Ca -0.07 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.14 2j5i h PRO 124 Cb 0.59 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.66 2j5i h PRO 124 CO 0.11 0.21 0.40 1.25 -0.23 0.00 0.00 178.00 179.74 2j5i h LEU 125 N 0.00 0.58 0.00 1.56 5.85 -1.29 -1.44 115.31 120.56 2j5i h LEU 125 Ca -0.00 0.04 -0.18 0.00 0.84 0.00 0.00 57.88 58.58 2j5i h LEU 125 Cb 0.40 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 2j5i h LEU 125 CO 0.03 0.35 -1.29 0.58 -0.34 0.00 0.00 178.44 177.77 2j5i h VAL 126 N 0.71 0.65 -0.59 1.05 2.07 -1.10 -3.26 116.25 115.78 2j5i h VAL 126 Ca 0.34 -2.18 -0.04 0.00 0.82 0.00 0.00 66.70 65.64 2j5i h VAL 126 Cb 0.27 2.17 -0.03 0.00 -1.52 0.00 0.00 31.29 32.19 2j5i h VAL 126 CO -0.22 0.37 0.19 0.00 0.02 0.00 0.00 177.57 177.93 2j5i h ALA 127 N 1.36 1.22 -2.91 1.67 0.00 -0.93 -3.42 119.26 116.25 2j5i h ALA 127 Ca -0.15 -0.19 -0.54 0.00 0.00 0.00 0.00 54.91 54.04 2j5i h ALA 127 Cb 1.62 -0.24 0.10 0.00 0.00 0.00 0.00 17.79 19.27 2j5i h ALA 127 CO 0.06 0.55 0.79 0.00 0.00 0.00 0.00 179.25 180.64 2j5i h ASP 129 N 3.37 -0.63 -2.16 0.00 3.45 -1.72 -3.45 116.42 115.28 2j5i h ASP 129 Ca -0.50 0.03 -0.61 0.00 0.43 0.00 0.00 57.03 56.39 2j5i h ASP 129 Cb 1.23 0.18 -0.14 0.00 -0.56 0.00 0.00 39.33 40.05 2j5i h ASP 129 CO 0.67 -0.41 -0.74 -0.76 -1.57 0.00 0.00 179.24 176.43 2j5i s LEU 130 N -10.13 2.66 -0.15 1.55 1.43 -0.96 -5.04 118.68 108.04 2j5i s LEU 130 Ca -0.16 -1.03 -0.11 0.00 -1.03 0.00 0.00 54.13 51.80 2j5i s LEU 130 Cb 0.05 -1.13 0.05 0.00 0.03 0.00 0.00 46.19 45.19 2j5i s LEU 130 CO 0.63 -0.00 0.39 0.00 0.23 0.00 0.00 176.35 177.59 2j5i s ALA 131 N -2.51 -0.97 -0.06 4.21 0.00 -1.26 -0.46 121.76 120.72 2j5i s ALA 131 Ca 0.31 1.29 0.03 0.00 0.00 0.00 0.00 51.96 53.59 2j5i s ALA 131 Cb -0.04 -0.78 0.01 0.00 0.00 0.00 0.00 23.12 22.31 2j5i s ALA 131 CO 0.16 -0.22 -0.14 0.42 0.00 0.00 0.00 175.76 175.97 2j5i s ILE 132 N 0.87 1.26 0.30 0.00 -1.09 -0.12 -0.46 121.20 121.96 2j5i s ILE 132 Ca -0.05 -0.58 0.07 0.00 -2.23 0.00 0.00 60.65 57.85 2j5i s ILE 132 Cb -0.06 -1.12 -0.06 0.00 -1.58 0.00 0.00 42.46 39.64 2j5i s ILE 132 CO -0.07 0.38 -0.05 0.00 -1.23 0.00 0.00 174.94 173.97 2j5i s ALA 134 N -2.96 3.13 0.38 0.00 0.00 -0.59 -1.59 121.76 120.12 2j5i s ALA 134 Ca 0.31 0.56 0.09 0.00 0.00 0.00 0.00 51.96 52.92 2j5i s ALA 134 Cb 0.04 -3.21 0.84 0.00 0.00 0.00 0.00 23.12 20.80 2j5i s ALA 134 CO 0.13 0.03 1.92 -0.44 0.00 0.00 0.00 175.76 177.41 2j5i h ASP 135 N 2.69 0.59 1.03 0.00 3.32 -1.17 -1.58 116.42 121.29 2j5i h ASP 135 Ca -0.48 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.59 2j5i h ASP 135 Cb 1.20 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.64 2j5i h ASP 135 CO 0.63 0.34 0.00 -0.62 -1.72 0.00 0.00 179.24 177.87 2j5i n GLU 136 N -4.50 0.21 -1.80 3.56 4.71 -1.26 -2.71 120.64 118.84 2j5i n GLU 136 Ca 0.13 0.32 -0.38 0.00 -0.01 0.00 0.00 57.16 57.23 2j5i n GLU 136 Cb 0.37 -1.82 0.05 0.00 -1.01 0.00 0.00 31.44 29.02 2j5i n GLU 136 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2j5i s ALA 137 N -3.21 2.70 -0.08 0.62 0.00 -0.59 -4.87 121.76 116.33 2j5i s ALA 137 Ca 0.07 1.27 0.03 0.00 0.00 0.00 0.00 51.96 53.34 2j5i s ALA 137 Cb 0.11 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.68 2j5i s ALA 137 CO 0.47 -1.39 -0.19 0.99 0.00 0.00 0.00 175.76 175.64 2j5i s THR 138 N -1.35 1.65 0.18 0.00 2.01 -1.26 -2.17 115.64 114.70 2j5i s THR 138 Ca 0.74 -0.79 0.09 0.00 0.31 0.00 0.00 61.69 62.04 2j5i s THR 138 Cb -0.39 -1.45 -0.04 0.00 0.01 0.00 0.00 72.50 70.63 2j5i s THR 138 CO 0.44 0.47 -0.09 -0.36 -0.69 0.00 0.00 174.62 174.40 2j5i s PHE 139 N 0.42 2.65 -0.27 4.92 0.40 0.62 -0.57 117.98 126.15 2j5i s PHE 139 Ca -0.15 -0.21 -0.27 0.00 -0.60 0.00 0.00 56.93 55.69 2j5i s PHE 139 Cb -0.16 -1.29 0.16 0.00 0.51 0.00 0.00 43.02 42.24 2j5i s PHE 139 CO 0.06 0.51 1.25 0.20 0.70 0.00 0.00 175.22 177.95 2j5i s GLY 140 N -2.85 0.08 -1.01 4.36 0.00 -1.02 -1.03 107.32 105.84 2j5i s GLY 140 Ca 0.25 2.93 -0.03 0.00 0.00 0.00 0.00 44.72 47.87 2j5i s GLY 140 CO 0.16 1.60 1.25 1.04 0.00 0.00 0.00 173.10 177.14 2j5i n LEU 141 N 1.38 5.69 0.00 0.66 4.77 -1.26 -1.60 117.00 126.64 2j5i n LEU 141 Ca -0.09 -5.21 0.10 0.00 -0.03 0.00 0.00 56.01 50.79 2j5i n LEU 141 Cb 0.57 -1.21 0.57 0.00 -2.33 0.00 0.00 43.42 41.02 2j5i n LEU 141 CO 0.05 1.67 0.83 -1.20 -1.33 0.00 0.00 177.39 177.41 2j5i n SER 142 N 1.61 0.00 -0.28 -1.43 7.64 -1.26 -3.95 113.62 115.95 2j5i n SER 142 Ca 0.26 -0.26 -0.04 0.00 1.01 0.00 0.00 58.87 59.84 2j5i n SER 142 Cb 0.36 -0.18 -0.02 0.00 -1.01 0.00 0.00 64.21 63.36 2j5i n SER 142 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2j5i n GLU 143 N -1.18 -0.23 0.16 1.43 4.71 -1.26 -1.58 120.64 122.69 2j5i n GLU 143 Ca 0.12 1.05 0.04 0.00 -0.01 0.00 0.00 57.16 58.36 2j5i n GLU 143 Cb 0.13 -1.55 0.44 0.00 -1.01 0.00 0.00 31.44 29.45 2j5i n GLU 143 CO 0.00 0.00 0.00 0.97 0.09 0.00 0.00 177.13 178.19 2j5i h ILE 144 N 0.00 1.15 0.00 -3.67 2.10 -1.64 0.95 117.51 116.40 2j5i h ILE 144 Ca 0.18 -0.66 0.00 0.00 1.08 0.00 0.00 64.86 65.46 2j5i h ILE 144 Cb 0.35 1.22 0.00 0.00 -1.09 0.00 0.00 36.82 37.30 2j5i h ILE 144 CO -0.67 0.20 0.00 0.59 -1.08 0.00 0.00 178.15 177.19 2j5i n ASN 145 N -4.31 0.38 -0.98 2.19 3.02 -0.62 -2.04 115.26 112.90 2j5i n ASN 145 Ca -0.01 0.57 0.10 0.00 -0.03 0.00 0.00 54.58 55.20 2j5i n ASN 145 Cb 0.24 -0.66 0.19 0.00 -0.61 0.00 0.00 39.78 38.95 2j5i n ASN 145 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 2j5i n TRP 146 N -1.89 0.49 -1.85 3.10 5.03 0.30 -4.98 117.44 117.64 2j5i n TRP 146 Ca 0.04 -0.30 -0.03 0.00 3.03 0.00 0.00 57.50 60.24 2j5i n TRP 146 Cb 0.27 -0.01 -0.00 0.00 -1.03 0.00 0.00 31.31 30.54 2j5i n TRP 146 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 2j5i n GLY 147 N 1.20 0.32 3.05 6.99 0.00 -0.87 -5.07 105.19 110.81 2j5i n GLY 147 Ca 0.17 -0.79 -0.19 0.00 0.00 0.00 0.00 46.02 45.21 2j5i n GLY 147 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2j5i s ILE 148 N -2.16 0.78 0.88 -0.61 -4.36 -1.05 -5.02 121.20 109.66 2j5i s ILE 148 Ca 0.00 -0.55 -0.12 0.00 -0.26 0.00 0.00 60.65 59.72 2j5i s ILE 148 Cb 0.00 -0.68 0.12 0.00 1.25 0.00 0.00 42.46 43.15 2j5i s ILE 148 CO 0.00 0.12 1.12 -2.16 0.24 0.00 0.00 174.94 174.27 2j5i s PRO 149 N -0.48 1.40 0.10 0.37 0.04 -1.26 -2.80 135.00 132.35 2j5i s PRO 149 Ca 0.02 0.42 -0.33 0.00 0.04 0.00 0.00 61.00 61.15 2j5i s PRO 149 Cb -0.05 -1.86 -0.12 0.00 0.04 0.00 0.00 34.50 32.52 2j5i s PRO 149 CO -0.00 -2.05 1.77 -2.30 0.04 0.00 0.00 177.00 174.46 2j5i n PRO 150 N -3.69 2.51 -2.65 0.56 -0.02 -1.26 -4.91 135.00 125.54 2j5i n PRO 150 Ca 0.07 0.91 -0.22 0.00 -2.02 0.00 0.00 63.50 62.24 2j5i n PRO 150 Cb 0.58 -2.76 0.04 0.00 -0.02 0.00 0.00 33.50 31.33 2j5i n PRO 150 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2j5i s GLY 151 N 2.41 1.77 0.00 -1.23 0.00 -1.26 -4.74 107.32 104.27 2j5i s GLY 151 Ca 0.83 -1.24 0.00 0.00 0.00 0.00 0.00 44.72 44.30 2j5i s GLY 151 CO 0.40 -0.97 0.00 -2.01 0.00 0.00 0.00 173.10 170.52 2j5i n ASN 152 N -2.35 0.00 -1.47 1.64 2.85 -1.26 -2.47 115.26 112.19 2j5i n ASN 152 Ca 0.07 0.00 0.10 0.00 -0.11 0.00 0.00 54.58 54.64 2j5i n ASN 152 Cb 0.59 0.00 0.34 0.00 1.24 0.00 0.00 39.78 41.95 2j5i n ASN 152 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2j5i n LEU 153 N 0.00 4.48 -0.21 1.20 7.99 -1.26 -4.62 117.00 124.58 2j5i n LEU 153 Ca 0.00 -2.34 0.02 0.00 -0.01 0.00 0.00 56.01 53.68 2j5i n LEU 153 Cb 0.00 -0.54 0.13 0.00 -0.11 0.00 0.00 43.42 42.89 2j5i n LEU 153 CO 0.00 0.85 0.89 0.58 -1.51 0.00 0.00 177.39 178.20 2j5i h VAL 154 N 3.98 0.55 -0.18 4.08 2.07 -1.80 -0.90 116.25 124.05 2j5i h VAL 154 Ca 0.00 -0.07 -0.09 0.00 0.82 0.00 0.00 66.70 67.35 2j5i h VAL 154 Cb 1.31 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 2j5i h VAL 154 CO 0.17 0.04 -0.30 0.28 0.02 0.00 0.00 177.57 177.78 2j5i h SER 155 N 0.21 0.36 -0.10 0.57 0.02 -1.83 -2.18 113.55 110.59 2j5i h SER 155 Ca 0.35 -0.13 -0.12 0.00 -0.84 0.00 0.00 61.79 61.05 2j5i h SER 155 Cb 0.56 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 2j5i h SER 155 CO -0.48 0.65 -0.33 0.50 -1.14 0.00 0.00 176.83 176.03 2j5i h LYS 156 N 0.31 0.60 -0.49 3.45 1.63 -1.74 -0.55 116.57 119.78 2j5i h LYS 156 Ca 0.04 -0.27 -0.02 0.00 -0.85 0.00 0.00 60.65 59.56 2j5i h LYS 156 Cb 0.69 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.29 2j5i h LYS 156 CO 0.05 0.85 0.25 0.00 -3.45 0.00 0.00 179.45 177.15 2j5i h ALA 157 N 1.13 0.63 -0.37 5.00 0.00 -0.60 -0.41 119.26 124.65 2j5i h ALA 157 Ca 0.06 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2j5i h ALA 157 Cb 0.82 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2j5i h ALA 157 CO 0.07 0.18 0.15 0.52 0.00 0.00 0.00 179.25 180.16 2j5i h MET 158 N 0.65 0.55 -0.95 0.00 2.86 -1.32 -3.04 114.93 113.67 2j5i h MET 158 Ca 0.17 -0.10 0.06 0.00 -2.06 0.00 0.00 59.70 57.77 2j5i h MET 158 Cb 0.10 -0.09 -0.06 0.00 0.06 0.00 0.00 31.60 31.61 2j5i h MET 158 CO -0.02 0.53 0.62 0.00 1.06 0.00 0.00 176.91 179.10 2j5i h ALA 159 N 0.99 1.45 0.00 6.32 0.00 -0.49 0.87 119.26 128.39 2j5i h ALA 159 Ca 0.12 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2j5i h ALA 159 Cb 0.19 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2j5i h ALA 159 CO -0.01 0.42 -0.26 -0.44 0.00 0.00 0.00 179.25 178.96 2j5i h ASP 160 N 1.12 0.00 0.00 0.00 5.19 -1.02 -3.39 116.42 118.33 2j5i h ASP 160 Ca 0.40 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.81 2j5i h ASP 160 Cb 0.15 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.66 2j5i h ASP 160 CO -0.15 0.26 -0.95 0.35 -3.12 0.00 0.00 179.24 175.63 2j5i n THR 161 N -3.45 0.00 -4.74 0.35 -2.24 -0.81 -5.05 114.28 98.34 2j5i n THR 161 Ca -0.00 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.47 2j5i n THR 161 Cb 0.44 -0.68 -0.13 0.00 -2.10 0.00 0.00 70.33 67.86 2j5i n THR 161 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2j5i s VAL 162 N -1.94 2.77 0.97 2.28 1.01 0.23 -4.16 120.40 121.56 2j5i s VAL 162 Ca 0.00 -1.12 -0.11 0.00 0.00 0.00 0.00 61.98 60.75 2j5i s VAL 162 Cb 0.00 -2.14 0.18 0.00 0.00 0.00 0.00 36.38 34.42 2j5i s VAL 162 CO 0.00 0.39 1.10 -0.83 0.00 0.00 0.00 175.10 175.76 2j5i s GLY 163 N -1.29 1.64 0.11 4.51 0.00 -1.26 -4.58 107.32 106.45 2j5i s GLY 163 Ca 0.14 0.28 -0.32 0.00 0.00 0.00 0.00 44.72 44.82 2j5i s GLY 163 CO 0.04 0.79 1.59 0.84 0.00 0.00 0.00 173.10 176.36 2j5i h HIS 164 N -1.99 -1.19 -0.30 1.90 2.76 -1.94 0.15 115.15 114.54 2j5i h HIS 164 Ca -0.49 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 57.71 2j5i h HIS 164 Cb 1.29 0.49 -0.02 0.00 1.55 0.00 0.00 27.41 30.72 2j5i h HIS 164 CO 0.43 -0.54 0.20 0.00 -1.30 0.00 0.00 177.93 176.71 2j5i h ARG 165 N -0.73 0.39 -0.60 5.26 2.47 -2.00 -1.93 114.38 117.24 2j5i h ARG 165 Ca 0.00 -0.02 -0.07 0.00 -1.26 0.00 0.00 59.98 58.63 2j5i h ARG 165 Cb 0.71 -0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 28.92 2j5i h ARG 165 CO -0.19 0.26 0.10 1.96 0.56 0.00 0.00 179.97 182.65 2j5i h GLN 166 N 0.40 0.97 -0.23 0.04 4.20 -1.88 -0.76 115.11 117.86 2j5i h GLN 166 Ca 0.11 -0.24 -0.00 0.00 0.06 0.00 0.00 58.65 58.58 2j5i h GLN 166 Cb -0.04 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.61 2j5i h GLN 166 CO -0.03 0.90 0.14 0.77 -0.67 0.00 0.00 178.83 179.93 2j5i h SER 167 N 0.92 0.28 -0.51 1.46 0.02 -0.46 -2.00 113.55 113.25 2j5i h SER 167 Ca 0.19 -0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 61.02 2j5i h SER 167 Cb 0.40 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 2j5i h SER 167 CO 0.01 0.25 0.11 -0.07 -1.14 0.00 0.00 176.83 175.99 2j5i h LEU 168 N 0.28 0.83 0.23 5.07 3.38 -1.19 -0.64 115.31 123.27 2j5i h LEU 168 Ca 0.08 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2j5i h LEU 168 Cb 0.02 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2j5i h LEU 168 CO -0.02 0.82 -0.22 0.22 0.09 0.00 0.00 178.44 179.34 2j5i h TYR 169 N 0.84 -0.57 -0.27 1.13 5.03 -0.92 0.12 116.97 122.33 2j5i h TYR 169 Ca 0.18 0.00 -0.08 0.00 2.58 0.00 0.00 58.73 61.41 2j5i h TYR 169 Cb 0.34 0.22 -0.01 0.00 1.55 0.00 0.00 36.73 38.83 2j5i h TYR 169 CO 0.02 -0.32 -0.19 1.88 -1.32 0.00 0.00 178.16 178.23 2j5i h TYR 170 N -0.47 0.53 -0.20 -3.82 0.05 -1.18 -1.05 116.97 110.83 2j5i h TYR 170 Ca -0.01 -0.10 -0.18 0.00 0.05 0.00 0.00 58.73 58.50 2j5i h TYR 170 Cb 0.44 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 38.04 2j5i h TYR 170 CO -0.15 0.65 -0.57 0.82 -1.05 0.00 0.00 178.16 177.87 2j5i h ILE 171 N 0.44 1.30 0.09 -2.88 2.04 -1.01 -1.70 117.51 115.80 2j5i h ILE 171 Ca 0.07 -1.79 -0.27 0.00 1.00 0.00 0.00 64.86 63.88 2j5i h ILE 171 Cb 0.59 1.89 0.01 0.00 -0.74 0.00 0.00 36.82 38.57 2j5i h ILE 171 CO 0.04 0.56 -1.16 0.24 0.00 0.00 0.00 178.15 177.83 2j5i h MET 172 N 0.44 0.44 0.00 2.37 2.86 -0.65 -3.32 114.93 117.07 2j5i h MET 172 Ca -0.02 -0.60 -0.21 0.00 -2.06 0.00 0.00 59.70 56.82 2j5i h MET 172 Cb 1.19 0.20 -0.04 0.00 0.06 0.00 0.00 31.60 33.01 2j5i h MET 172 CO 0.12 1.25 -1.47 1.79 1.06 0.00 0.00 176.91 179.66 2j5i h THR 173 N 0.19 0.64 -0.18 2.22 1.35 -1.30 -3.49 112.91 112.34 2j5i h THR 173 Ca -0.14 -2.25 -0.08 0.00 -0.55 0.00 0.00 66.41 63.39 2j5i h THR 173 Cb 1.84 2.18 -0.03 0.00 -1.73 0.00 0.00 68.15 70.41 2j5i h THR 173 CO 0.21 0.37 -0.07 0.61 -0.25 0.00 0.00 175.52 176.38 2j5i n GLY 174 N 1.44 0.58 3.76 5.82 0.00 -0.64 -4.89 105.19 111.27 2j5i n GLY 174 Ca -0.11 -0.18 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 2j5i n GLY 174 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j5i s LYS 175 N -1.72 3.58 0.48 1.61 -0.14 -1.26 -4.38 119.74 117.92 2j5i s LYS 175 Ca 0.00 2.01 -0.04 0.00 -1.36 0.00 0.00 55.97 56.57 2j5i s LYS 175 Cb 0.00 -2.42 -0.03 0.00 -1.68 0.00 0.00 37.83 33.70 2j5i s LYS 175 CO 0.00 -0.76 0.77 0.95 -0.76 0.00 0.00 175.35 175.55 2j5i s THR 176 N -1.41 4.72 0.06 2.17 -4.23 -1.26 -4.47 115.64 111.23 2j5i s THR 176 Ca 0.65 0.08 -0.08 0.00 -1.18 0.00 0.00 61.69 61.16 2j5i s THR 176 Cb -0.34 -3.79 -0.00 0.00 1.34 0.00 0.00 72.50 69.70 2j5i s THR 176 CO 0.42 -0.75 0.17 0.72 -0.54 0.00 0.00 174.62 174.64 2j5i s PHE 177 N -2.73 0.13 0.68 3.99 -0.71 -0.20 -4.97 117.98 114.17 2j5i s PHE 177 Ca 0.48 -0.46 0.03 0.00 -1.04 0.00 0.00 56.93 55.94 2j5i s PHE 177 Cb -0.10 -0.07 0.13 0.00 -1.21 0.00 0.00 43.02 41.77 2j5i s PHE 177 CO 0.44 -0.47 0.94 0.41 -1.34 0.00 0.00 175.22 175.20 2j5i n GLY 178 N 0.35 1.12 0.27 1.99 0.00 -1.26 -0.28 105.19 107.38 2j5i n GLY 178 Ca -0.17 -2.10 -0.04 0.00 0.00 0.00 0.00 46.02 43.71 2j5i n GLY 178 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2j5i h GLY 179 N -0.35 0.99 1.01 -0.02 0.00 -1.23 -1.02 103.07 102.45 2j5i h GLY 179 Ca -0.31 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 46.67 2j5i h GLY 179 CO 0.37 0.29 0.42 -1.61 0.00 0.00 0.00 176.54 176.01 2j5i h GLN 180 N 0.86 1.04 -0.68 4.80 5.75 -1.83 -1.77 115.11 123.28 2j5i h GLN 180 Ca 0.27 -0.12 -0.02 0.00 -0.15 0.00 0.00 58.65 58.64 2j5i h GLN 180 Cb -0.00 -0.21 -0.03 0.00 1.07 0.00 0.00 27.48 28.31 2j5i h GLN 180 CO -0.10 0.77 0.35 0.87 -2.65 0.00 0.00 178.83 178.08 2j5i h LYS 181 N 1.04 0.96 -0.92 1.69 1.57 -1.82 -0.17 116.57 118.91 2j5i h LYS 181 Ca 0.27 -0.12 0.06 0.00 -1.87 0.00 0.00 60.65 58.98 2j5i h LYS 181 Cb 0.03 -0.18 -0.06 0.00 0.08 0.00 0.00 32.23 32.09 2j5i h LYS 181 CO -0.04 0.74 0.59 0.00 -0.57 0.00 0.00 179.45 180.16 2j5i h ALA 182 N 1.17 1.27 -0.23 3.86 0.00 -0.58 -0.29 119.26 124.46 2j5i h ALA 182 Ca 0.24 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.01 2j5i h ALA 182 Cb 0.07 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 2j5i h ALA 182 CO -0.03 0.37 -0.32 0.00 0.00 0.00 0.00 179.25 179.26 2j5i h ALA 183 N 1.42 0.35 -0.96 0.00 0.00 -0.98 -0.14 119.26 118.94 2j5i h ALA 183 Ca 0.40 -0.42 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2j5i h ALA 183 Cb 0.15 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 2j5i h ALA 183 CO -0.17 0.38 0.62 1.49 0.00 0.00 0.00 179.25 181.58 2j5i h GLU 184 N 0.32 1.18 0.00 0.00 4.22 -0.63 -2.45 114.58 117.22 2j5i h GLU 184 Ca 0.02 -0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.39 2j5i h GLU 184 Cb 0.90 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.89 2j5i h GLU 184 CO 0.08 0.78 0.00 -1.33 -2.18 0.00 0.00 179.01 176.35 2j5i n MET 185 N -4.47 0.23 -0.35 1.92 2.81 -0.15 -4.91 117.12 112.19 2j5i n MET 185 Ca 0.13 0.22 0.00 0.00 -1.81 0.00 0.00 57.70 56.23 2j5i n MET 185 Cb 0.09 -1.78 0.00 0.00 -0.71 0.00 0.00 33.22 30.82 2j5i n MET 185 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2j5i n GLY 186 N 1.18 0.74 0.24 3.03 0.00 -0.92 -4.20 105.19 105.25 2j5i n GLY 186 Ca 0.05 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.07 2j5i n GLY 186 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2j5i h LEU 187 N 0.00 0.36 -9.28 0.99 5.85 -1.19 -3.43 115.31 108.60 2j5i h LEU 187 Ca 0.00 -0.09 -0.51 0.00 0.84 0.00 0.00 57.88 58.12 2j5i h LEU 187 Cb 0.00 -0.09 -0.14 0.00 0.37 0.00 0.00 40.66 40.80 2j5i h LEU 187 CO 0.00 0.54 -0.62 0.68 -0.34 0.00 0.00 178.44 178.70 2j5i s VAL 188 N -4.67 1.45 0.07 1.05 -7.23 -1.15 -4.91 120.40 105.01 2j5i s VAL 188 Ca -0.06 -2.03 -0.08 0.00 -1.81 0.00 0.00 61.98 58.00 2j5i s VAL 188 Cb 0.15 -2.75 -0.29 0.00 0.56 0.00 0.00 36.38 34.05 2j5i s VAL 188 CO 0.76 -0.08 1.12 0.78 -0.31 0.00 0.00 175.10 177.38 2j5i h ASN 189 N 2.09 0.59 -4.61 4.85 4.21 -1.07 -3.41 115.58 118.22 2j5i h ASN 189 Ca -0.41 -0.60 -0.05 0.00 1.21 0.00 0.00 56.30 56.45 2j5i h ASN 189 Cb 1.24 -0.19 -0.20 0.00 -1.12 0.00 0.00 38.32 38.05 2j5i h ASN 189 CO 0.71 1.45 0.16 -0.70 -1.29 0.00 0.00 177.43 177.76 2j5i s GLU 190 N -2.75 0.97 -0.07 0.81 2.12 -1.21 -4.98 118.70 113.59 2j5i s GLU 190 Ca -0.06 0.54 0.05 0.00 0.36 0.00 0.00 54.97 55.86 2j5i s GLU 190 Cb 0.06 0.46 -0.01 0.00 0.26 0.00 0.00 34.13 34.90 2j5i s GLU 190 CO 0.90 -0.24 -0.22 0.45 -0.54 0.00 0.00 175.26 175.61 2j5i s SER 191 N -0.59 3.33 0.10 -1.70 0.15 -1.26 -1.44 113.70 112.30 2j5i s SER 191 Ca -0.07 -0.44 0.01 0.00 0.70 0.00 0.00 55.95 56.14 2j5i s SER 191 Cb -0.02 -0.96 -0.04 0.00 -1.71 0.00 0.00 66.02 63.29 2j5i s SER 191 CO 0.06 0.25 -0.03 0.68 1.20 0.00 0.00 173.24 175.40 2j5i s VAL 192 N -0.16 0.47 0.43 4.45 -7.23 -0.62 -4.84 120.40 112.89 2j5i s VAL 192 Ca -0.03 -1.90 -0.25 0.00 -1.81 0.00 0.00 61.98 57.99 2j5i s VAL 192 Cb -0.14 -1.75 -0.09 0.00 0.56 0.00 0.00 36.38 34.96 2j5i s VAL 192 CO 0.04 -0.79 1.27 -2.65 -0.31 0.00 0.00 175.10 172.65 2j5i n PRO 193 N -0.03 1.89 -0.34 4.82 -0.02 -1.26 -0.62 135.00 139.44 2j5i n PRO 193 Ca -0.11 0.67 0.20 0.00 -2.02 0.00 0.00 63.50 62.25 2j5i n PRO 193 Cb 0.62 -2.38 0.44 0.00 -0.02 0.00 0.00 33.50 32.15 2j5i n PRO 193 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2j5i h LEU 194 N 2.02 0.57 -2.11 2.45 5.85 -1.91 -0.62 115.31 121.56 2j5i h LEU 194 Ca -0.48 0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.40 2j5i h LEU 194 Cb 1.30 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.35 2j5i h LEU 194 CO 0.60 0.09 0.13 0.00 -0.34 0.00 0.00 178.44 178.92 2j5i h ALA 195 N 1.68 2.02 -0.16 1.25 0.00 -2.02 -2.19 119.26 119.84 2j5i h ALA 195 Ca 0.63 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.53 2j5i h ALA 195 Cb 1.38 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2j5i h ALA 195 CO -0.40 -0.22 0.00 0.00 0.00 0.00 0.00 179.25 178.63 2j5i n GLN 196 N -4.25 1.61 -0.11 0.00 10.64 -0.29 -4.69 117.38 120.29 2j5i n GLN 196 Ca 0.01 -1.65 -0.05 0.00 -1.83 0.00 0.00 57.00 53.48 2j5i n GLN 196 Cb 0.26 -1.31 0.02 0.00 -0.86 0.00 0.00 30.24 28.36 2j5i n GLN 196 CO 0.00 0.00 0.00 1.25 -1.83 0.00 0.00 177.06 176.48 2j5i h LEU 197 N 2.86 -0.11 -0.39 2.61 5.85 -0.86 -1.60 115.31 123.66 2j5i h LEU 197 Ca 0.00 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 2j5i h LEU 197 Cb 0.68 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 2j5i h LEU 197 CO 0.00 -0.02 0.07 -0.09 -0.34 0.00 0.00 178.44 178.06 2j5i h ARG 198 N 0.12 0.64 -0.31 1.25 2.43 -1.84 -1.04 114.38 115.64 2j5i h ARG 198 Ca 0.18 -0.17 0.02 0.00 -0.81 0.00 0.00 59.98 59.20 2j5i h ARG 198 Cb 0.25 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 2j5i h ARG 198 CO -0.29 0.69 0.17 0.93 -1.51 0.00 0.00 179.97 179.95 2j5i h GLU 199 N 0.49 0.33 -0.74 0.20 5.08 -1.81 0.35 114.58 118.48 2j5i h GLU 199 Ca 0.12 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.40 2j5i h GLU 199 Cb 0.35 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 2j5i h GLU 199 CO 0.01 0.22 0.22 0.28 -1.00 0.00 0.00 179.01 178.73 2j5i h VAL 200 N 0.34 1.26 -0.54 3.13 2.07 -1.24 -0.85 116.25 120.42 2j5i h VAL 200 Ca 0.12 -0.93 -0.10 0.00 0.82 0.00 0.00 66.70 66.61 2j5i h VAL 200 Cb 0.02 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 2j5i h VAL 200 CO -0.07 0.37 -0.05 0.74 0.02 0.00 0.00 177.57 178.57 2j5i h THR 201 N 1.11 1.27 -0.44 2.57 2.02 -0.79 -2.51 112.91 116.14 2j5i h THR 201 Ca 0.24 -1.19 -0.13 0.00 0.77 0.00 0.00 66.41 66.10 2j5i h THR 201 Cb 0.33 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 2j5i h THR 201 CO -0.00 0.42 -0.24 0.40 0.37 0.00 0.00 175.52 176.47 2j5i h ILE 202 N 0.86 1.27 -0.05 3.11 2.04 -0.69 -0.65 117.51 123.41 2j5i h ILE 202 Ca 0.15 -1.38 0.03 0.00 1.00 0.00 0.00 64.86 64.66 2j5i h ILE 202 Cb 0.61 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 37.83 2j5i h ILE 202 CO 0.04 0.47 -0.20 -0.33 0.00 0.00 0.00 178.15 178.13 2j5i h GLU 203 N 0.77 -0.29 -0.60 2.37 5.08 -1.05 -0.23 114.58 120.64 2j5i h GLU 203 Ca 0.10 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.49 2j5i h GLU 203 Cb 0.79 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.07 2j5i h GLU 203 CO 0.07 -0.19 0.39 1.25 -1.00 0.00 0.00 179.01 179.53 2j5i h LEU 204 N -0.30 0.68 -1.11 1.33 5.85 -1.22 -1.97 115.31 118.57 2j5i h LEU 204 Ca 0.07 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 2j5i h LEU 204 Cb 0.40 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 2j5i h LEU 204 CO -0.22 0.49 0.07 0.00 -0.34 0.00 0.00 178.44 178.44 2j5i h ALA 205 N 1.22 1.28 -0.61 1.25 0.00 -0.84 -1.47 119.26 120.08 2j5i h ALA 205 Ca 0.22 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2j5i h ALA 205 Cb -0.08 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 2j5i h ALA 205 CO -0.05 0.50 0.17 0.00 0.00 0.00 0.00 179.25 179.87 2j5i h ARG 206 N 0.68 0.97 -0.87 0.00 3.08 -0.55 0.86 114.38 118.55 2j5i h ARG 206 Ca 0.15 -0.22 0.09 0.00 0.07 0.00 0.00 59.98 60.06 2j5i h ARG 206 Cb 0.31 -0.13 -0.07 0.00 0.08 0.00 0.00 29.97 30.16 2j5i h ARG 206 CO 0.00 0.87 0.52 -0.97 -1.07 0.00 0.00 179.97 179.32 2j5i h ASN 207 N 0.89 0.77 0.65 7.04 -1.24 -0.57 -2.57 115.58 120.56 2j5i h ASN 207 Ca 0.20 0.04 -0.19 0.00 0.71 0.00 0.00 56.30 57.05 2j5i h ASN 207 Cb 0.32 -0.12 -0.02 0.00 0.73 0.00 0.00 38.32 39.24 2j5i h ASN 207 CO -0.00 0.46 -0.85 -0.07 -1.29 0.00 0.00 177.43 175.67 2j5i h LEU 208 N 0.89 0.17 -1.52 0.34 3.38 -0.83 -3.19 115.31 114.55 2j5i h LEU 208 Ca 0.40 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 58.19 2j5i h LEU 208 Cb 0.31 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2j5i h LEU 208 CO -0.22 0.94 -0.13 0.25 0.09 0.00 0.00 178.44 179.37 2j5i h LEU 209 N 0.07 0.14 -0.94 1.67 5.85 -0.45 -2.65 115.31 119.00 2j5i h LEU 209 Ca -0.03 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.66 2j5i h LEU 209 Cb 1.48 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.47 2j5i h LEU 209 CO 0.12 0.29 0.00 -0.08 -0.34 0.00 0.00 178.44 178.43 2j5i h GLU 210 N 0.14 0.00 -7.24 1.25 4.81 -1.48 -3.46 114.58 108.61 2j5i h GLU 210 Ca 0.03 0.00 -0.49 0.00 -0.13 0.00 0.00 59.36 58.77 2j5i h GLU 210 Cb 0.32 0.00 0.06 0.00 0.63 0.00 0.00 28.75 29.76 2j5i h GLU 210 CO 0.02 0.00 0.38 0.15 -0.73 0.00 0.00 179.01 178.83 2j5i s LYS 211 N -3.50 3.39 -0.03 1.92 -0.14 -1.00 -4.97 119.74 115.41 2j5i s LYS 211 Ca 0.03 1.06 -0.30 0.00 -1.36 0.00 0.00 55.97 55.41 2j5i s LYS 211 Cb 0.08 -2.05 -0.07 0.00 -1.68 0.00 0.00 37.83 34.11 2j5i s LYS 211 CO 0.57 -0.74 1.84 1.21 -0.76 0.00 0.00 175.35 177.47 2j5i s ASN 212 N -3.19 6.46 0.36 2.83 3.84 -1.26 -4.88 114.94 119.10 2j5i s ASN 212 Ca 0.61 2.39 0.04 0.00 0.21 0.00 0.00 52.86 56.11 2j5i s ASN 212 Cb -0.14 -2.53 0.67 0.00 -0.55 0.00 0.00 41.25 38.70 2j5i s ASN 212 CO 0.41 -1.08 1.95 1.55 -2.79 0.00 0.00 177.10 177.14 2j5i h PRO 213 N 10.49 0.60 -0.45 0.43 0.13 -1.92 -0.05 132.00 141.23 2j5i h PRO 213 Ca -0.44 -0.08 -0.13 0.00 -0.87 0.00 0.00 66.00 64.48 2j5i h PRO 213 Cb 1.21 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 2j5i h PRO 213 CO 0.95 0.51 -0.23 0.28 -0.23 0.00 0.00 178.00 179.28 2j5i h VAL 214 N 0.60 1.27 -0.27 1.56 2.07 -1.91 -1.09 116.25 118.47 2j5i h VAL 214 Ca 0.15 -1.38 -0.09 0.00 0.82 0.00 0.00 66.70 66.19 2j5i h VAL 214 Cb 0.14 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 2j5i h VAL 214 CO -0.01 0.47 -0.19 0.58 0.02 0.00 0.00 177.57 178.44 2j5i h VAL 215 N 0.80 1.30 -0.77 2.57 2.07 -1.81 -1.46 116.25 118.96 2j5i h VAL 215 Ca 0.10 -1.32 0.01 0.00 0.82 0.00 0.00 66.70 66.31 2j5i h VAL 215 Cb 0.79 1.56 -0.04 0.00 -1.52 0.00 0.00 31.29 32.08 2j5i h VAL 215 CO 0.07 0.42 0.51 0.25 0.02 0.00 0.00 177.57 178.83 2j5i h LEU 216 N 0.34 0.90 -0.32 2.57 6.46 -0.94 -1.00 115.31 123.31 2j5i h LEU 216 Ca 0.05 -0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.79 2j5i h LEU 216 Cb 0.73 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 40.42 2j5i h LEU 216 CO 0.05 0.66 0.21 -0.09 -0.62 0.00 0.00 178.44 178.65 2j5i h ARG 217 N 1.05 0.42 -0.95 1.25 2.43 -1.07 -1.09 114.38 116.42 2j5i h ARG 217 Ca 0.28 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.43 2j5i h ARG 217 Cb -0.11 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.30 2j5i h ARG 217 CO -0.06 0.28 0.59 0.00 -1.51 0.00 0.00 179.97 179.27 2j5i h ALA 218 N 1.12 1.21 -0.13 2.80 0.00 -0.89 -1.40 119.26 121.96 2j5i h ALA 218 Ca 0.12 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2j5i h ALA 218 Cb -0.05 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.35 2j5i h ALA 218 CO -0.03 0.65 -0.06 0.00 0.00 0.00 0.00 179.25 179.81 2j5i h ALA 219 N 1.33 0.19 0.11 0.00 0.00 -0.93 -1.48 119.26 118.48 2j5i h ALA 219 Ca 0.34 -0.26 -0.29 0.00 0.00 0.00 0.00 54.91 54.71 2j5i h ALA 219 Cb -0.09 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 17.68 2j5i h ALA 219 CO -0.07 -0.02 -1.22 1.57 0.00 0.00 0.00 179.25 179.51 2j5i h LYS 220 N -0.06 0.51 -0.30 0.00 2.10 -1.09 -1.78 116.57 115.95 2j5i h LYS 220 Ca 0.03 -0.71 -0.04 0.00 -2.00 0.00 0.00 60.65 57.93 2j5i h LYS 220 Cb 0.53 0.24 -0.01 0.00 -0.90 0.00 0.00 32.23 32.08 2j5i h LYS 220 CO 0.02 1.31 0.03 0.45 -2.00 0.00 0.00 179.45 179.25 2j5i h HIS 221 N 0.22 0.56 -0.62 0.07 3.86 -1.35 -1.91 115.15 115.98 2j5i h HIS 221 Ca -0.17 -0.09 0.05 0.00 -1.16 0.00 0.00 60.37 59.00 2j5i h HIS 221 Cb 1.90 -0.15 -0.05 0.00 1.06 0.00 0.00 27.41 30.17 2j5i h HIS 221 CO 0.10 0.63 0.35 0.78 0.86 0.00 0.00 177.93 180.64 2j5i h GLY 222 N 0.33 0.90 0.90 2.45 0.00 -1.28 -0.44 103.07 105.93 2j5i h GLY 222 Ca 0.09 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 2j5i h GLY 222 CO 0.01 0.17 0.09 -2.75 0.00 0.00 0.00 176.54 174.06 2j5i h PHE 223 N 0.67 0.33 -0.72 5.60 3.04 -1.16 -0.26 116.94 124.43 2j5i h PHE 223 Ca 0.27 -0.02 -0.05 0.00 3.98 0.00 0.00 57.97 62.15 2j5i h PHE 223 Cb 0.13 -0.10 -0.03 0.00 2.56 0.00 0.00 35.95 38.51 2j5i h PHE 223 CO -0.08 0.35 0.25 0.87 -2.02 0.00 0.00 178.31 177.69 2j5i h LYS 224 N 0.21 1.08 -0.32 1.11 1.57 -0.89 -2.75 116.57 116.58 2j5i h LYS 224 Ca 0.07 -0.21 -0.17 0.00 -1.87 0.00 0.00 60.65 58.48 2j5i h LYS 224 Cb 0.16 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 2j5i h LYS 224 CO -0.01 0.91 -0.47 -0.09 -0.57 0.00 0.00 179.45 179.22 2j5i h ARG 225 N 1.05 0.84 0.00 3.15 2.43 -0.96 -3.27 114.38 117.62 2j5i h ARG 225 Ca 0.24 -0.49 -0.01 0.00 -0.81 0.00 0.00 59.98 58.91 2j5i h ARG 225 Cb 0.25 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.84 2j5i h ARG 225 CO -0.01 1.12 -0.07 0.00 -1.51 0.00 0.00 179.97 179.50 2j5i h ARG 227 N 0.00 0.00 0.00 0.00 3.08 -1.59 -2.57 114.38 113.30 2j5i h ARG 227 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2j5i h ARG 227 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 2j5i h ARG 227 CO 0.01 0.00 -0.75 0.39 -1.07 0.00 0.00 179.97 178.55 2j5i n GLU 228 N -3.99 0.14 -4.30 0.04 1.02 -0.14 -4.93 120.64 108.47 2j5i n GLU 228 Ca 0.07 0.01 -0.28 0.00 -0.02 0.00 0.00 57.16 56.94 2j5i n GLU 228 Cb 0.54 -1.56 -0.11 0.00 -0.02 0.00 0.00 31.44 30.30 2j5i n GLU 228 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2j5i s LEU 229 N -3.50 2.79 0.95 -4.62 1.02 -0.97 -5.13 118.68 109.21 2j5i s LEU 229 Ca 0.07 -0.57 -0.12 0.00 0.02 0.00 0.00 54.13 53.53 2j5i s LEU 229 Cb 0.16 -1.58 0.16 0.00 0.02 0.00 0.00 46.19 44.95 2j5i s LEU 229 CO 0.76 0.15 1.09 0.42 0.02 0.00 0.00 176.35 178.79 2j5i s THR 230 N -1.35 2.36 0.24 5.49 -4.23 -1.26 -4.80 115.64 112.08 2j5i s THR 230 Ca 0.20 0.12 -0.07 0.00 -1.18 0.00 0.00 61.69 60.77 2j5i s THR 230 Cb -0.10 -2.62 0.23 0.00 1.34 0.00 0.00 72.50 71.35 2j5i s THR 230 CO 0.12 -0.15 1.88 -0.50 -0.54 0.00 0.00 174.62 175.43 2j5i h TRP 231 N -1.71 1.25 -0.43 3.99 4.06 -1.98 -0.77 115.95 120.36 2j5i h TRP 231 Ca -0.52 -0.01 -0.12 0.00 2.06 0.00 0.00 58.89 60.30 2j5i h TRP 231 Cb 1.31 -0.41 -0.01 0.00 -1.00 0.00 0.00 29.16 29.04 2j5i h TRP 231 CO 0.36 0.84 -0.21 0.93 -3.56 0.00 0.00 178.44 176.79 2j5i h GLU 232 N 1.30 0.87 -0.84 0.49 3.07 -2.01 -1.18 114.58 116.29 2j5i h GLU 232 Ca 0.34 -0.36 0.01 0.00 -0.50 0.00 0.00 59.36 58.85 2j5i h GLU 232 Cb -0.04 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 27.79 2j5i h GLU 232 CO -0.06 1.00 0.56 1.96 -1.40 0.00 0.00 179.01 181.07 2j5i h GLN 233 N 0.76 1.09 -0.02 2.33 4.20 -1.89 -2.93 115.11 118.65 2j5i h GLN 233 Ca 0.10 -0.07 -0.11 0.00 0.06 0.00 0.00 58.65 58.64 2j5i h GLN 233 Cb 0.76 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 2j5i h GLN 233 CO 0.06 0.72 -0.48 -0.91 -0.67 0.00 0.00 178.83 177.55 2j5i h ASN 234 N 1.12 0.05 -0.78 1.46 2.35 -0.55 -0.52 115.58 118.70 2j5i h ASN 234 Ca 0.32 -0.02 0.11 0.00 -0.55 0.00 0.00 56.30 56.16 2j5i h ASN 234 Cb -0.10 -0.01 -0.08 0.00 0.05 0.00 0.00 38.32 38.18 2j5i h ASN 234 CO -0.08 0.53 0.40 -0.08 -1.65 0.00 0.00 177.43 176.55 2j5i h GLU 235 N 0.04 0.62 0.13 0.81 4.81 -1.04 0.37 114.58 120.32 2j5i h GLU 235 Ca -0.00 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 2j5i h GLU 235 Cb 0.87 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.11 2j5i h GLU 235 CO 0.07 0.41 -0.06 0.22 -0.73 0.00 0.00 179.01 178.91 2j5i h ASP 236 N 0.64 -0.15 -0.29 1.04 1.82 -1.45 -2.99 116.42 115.04 2j5i h ASP 236 Ca 0.40 -0.40 -0.04 0.00 -0.39 0.00 0.00 57.03 56.61 2j5i h ASP 236 Cb 0.47 0.04 -0.01 0.00 0.68 0.00 0.00 39.33 40.51 2j5i h ASP 236 CO -0.30 0.39 0.04 0.22 -1.61 0.00 0.00 179.24 177.98 2j5i h TYR 237 N -0.78 0.52 -0.11 0.28 5.03 -0.82 -1.76 116.97 119.33 2j5i h TYR 237 Ca -0.02 -0.08 -0.16 0.00 2.58 0.00 0.00 58.73 61.05 2j5i h TYR 237 Cb 0.54 -0.14 -0.01 0.00 1.55 0.00 0.00 36.73 38.67 2j5i h TYR 237 CO 0.09 0.59 -0.63 -0.07 -1.32 0.00 0.00 178.16 176.82 2j5i h LEU 238 N 0.30 0.47 -0.89 2.82 3.38 -0.40 -0.43 115.31 120.57 2j5i h LEU 238 Ca 0.09 -0.28 -0.11 0.00 0.09 0.00 0.00 57.88 57.67 2j5i h LEU 238 Cb 0.35 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2j5i h LEU 238 CO 0.01 0.98 -0.37 1.88 0.09 0.00 0.00 178.44 181.03 2j5i h TYR 239 N 0.30 0.41 -0.77 1.13 0.99 -1.47 -0.77 116.97 116.80 2j5i h TYR 239 Ca -0.01 -0.11 -0.05 0.00 2.00 0.00 0.00 58.73 60.56 2j5i h TYR 239 Cb 1.17 -0.09 -0.03 0.00 1.00 0.00 0.00 36.73 38.77 2j5i h TYR 239 CO 0.04 0.69 0.28 0.00 -0.00 0.00 0.00 178.16 179.16 2j5i h ALA 240 N 1.31 1.01 -0.22 3.88 0.00 -0.54 -0.15 119.26 124.54 2j5i h ALA 240 Ca 0.03 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 2j5i h ALA 240 Cb 0.80 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2j5i h ALA 240 CO 0.06 0.66 -0.36 0.87 0.00 0.00 0.00 179.25 180.48 2j5i h LYS 241 N 1.14 0.49 -0.16 0.00 1.79 -0.80 0.26 116.57 119.27 2j5i h LYS 241 Ca 0.25 -0.23 -0.02 0.00 -2.18 0.00 0.00 60.65 58.47 2j5i h LYS 241 Cb 0.26 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.90 2j5i h LYS 241 CO -0.02 0.78 0.01 1.25 -1.08 0.00 0.00 179.45 180.40 2j5i h LEU 242 N 0.41 0.27 -0.25 2.94 7.12 -0.74 0.49 115.31 125.55 2j5i h LEU 242 Ca 0.04 -0.29 -0.05 0.00 0.13 0.00 0.00 57.88 57.72 2j5i h LEU 242 Cb 0.83 -0.07 -0.01 0.00 -0.53 0.00 0.00 40.66 40.87 2j5i h LEU 242 CO 0.07 0.49 -0.04 0.44 -0.13 0.00 0.00 178.44 179.27 2j5i h ASP 243 N 0.05 0.47 -0.80 1.25 3.32 -0.84 -1.91 116.42 117.96 2j5i h ASP 243 Ca 0.05 -0.35 0.16 0.00 0.02 0.00 0.00 57.03 56.91 2j5i h ASP 243 Cb 0.34 -0.13 -0.10 0.00 0.22 0.00 0.00 39.33 39.66 2j5i h ASP 243 CO 0.01 0.71 0.33 -0.61 -1.72 0.00 0.00 179.24 177.95 2j5i h GLN 244 N 0.23 0.43 -0.60 3.56 4.15 -0.47 -1.89 115.11 120.52 2j5i h GLN 244 Ca 0.07 -0.03 0.02 0.00 0.77 0.00 0.00 58.65 59.48 2j5i h GLN 244 Cb 0.49 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 28.05 2j5i h GLN 244 CO 0.02 0.29 0.38 1.03 -1.93 0.00 0.00 178.83 178.62 2j5i h SER 245 N 0.45 0.64 -0.44 -0.69 0.87 -0.46 -0.90 113.55 113.01 2j5i h SER 245 Ca 0.45 -0.01 0.03 0.00 -1.23 0.00 0.00 61.79 61.04 2j5i h SER 245 Cb 0.72 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.50 2j5i h SER 245 CO -0.43 0.45 0.23 -0.09 -0.53 0.00 0.00 176.83 176.46 2j5i h ARG 246 N 0.76 0.45 0.27 2.24 2.43 -0.84 0.03 114.38 119.72 2j5i h ARG 246 Ca 0.23 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 2j5i h ARG 246 Cb -0.02 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 2j5i h ARG 246 CO -0.08 0.29 -0.13 1.25 -1.51 0.00 0.00 179.97 179.79 2j5i h LEU 247 N 0.46 -0.31 -1.12 3.80 5.85 -1.07 -2.92 115.31 120.00 2j5i h LEU 247 Ca 0.19 -0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.74 2j5i h LEU 247 Cb 0.08 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2j5i h LEU 247 CO -0.12 -0.10 -0.40 -0.07 -0.34 0.00 0.00 178.44 177.41 2j5i h LEU 248 N -0.50 0.00 -1.04 2.25 3.38 -1.06 -2.17 115.31 116.18 2j5i h LEU 248 Ca -0.04 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 2j5i h LEU 248 Cb 0.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2j5i h LEU 248 CO 0.06 0.40 -0.45 -0.78 0.09 0.00 0.00 178.44 177.76 2j5i h ASP 249 N 0.00 0.00 -0.22 -0.43 3.58 -0.98 -3.20 116.42 115.16 2j5i h ASP 249 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2j5i h ASP 249 Cb 0.79 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.84 2j5i h ASP 249 CO 0.05 0.45 0.00 0.35 -2.88 0.00 0.00 179.24 177.22 2j5i n THR 250 N -3.85 0.43 0.00 2.25 -2.24 -0.95 -5.09 114.28 104.82 2j5i n THR 250 Ca -0.01 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 2j5i n THR 250 Cb 0.50 0.97 0.00 0.00 -2.10 0.00 0.00 70.33 69.70 2j5i n THR 250 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88