#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 2.78 -1.06 -0.72 4.71 -1.26 -1.97 120.64 123.12 2j5i n GLU 5 Ca 0.00 1.01 -0.02 0.00 -0.01 0.00 0.00 57.16 58.14 2j5i n GLU 5 Cb 0.00 -2.88 -0.01 0.00 -1.01 0.00 0.00 31.44 27.54 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 4.13 0.38 0.15 0.62 0.00 -1.26 -4.90 105.19 104.31 2j5i n GLY 6 Ca 0.17 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 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 0.32 0.32 -5.91 1.61 2.43 -1.73 -3.46 114.38 107.96 2j5i h ARG 7 Ca -0.04 -0.34 -0.53 0.00 -0.81 0.00 0.00 59.98 58.26 2j5i h ARG 7 Cb 0.65 0.10 -0.15 0.00 -0.42 0.00 0.00 29.97 30.15 2j5i h ARG 7 CO 0.06 1.03 -0.76 -1.58 -1.51 0.00 0.00 179.97 177.22 2j5i s TRP 8 N -3.27 1.96 -0.09 2.20 0.51 -1.26 -5.06 118.94 113.92 2j5i s TRP 8 Ca -0.05 -0.46 0.03 0.00 -2.12 0.00 0.00 56.10 53.51 2j5i s TRP 8 Cb 0.09 -0.90 -0.24 0.00 -0.81 0.00 0.00 33.47 31.61 2j5i s TRP 8 CO 0.85 0.49 0.47 1.63 -0.51 0.00 0.00 176.95 179.87 2j5i n LYS 9 N -0.31 0.70 -0.02 4.98 5.02 -1.26 -4.40 118.16 122.87 2j5i n LYS 9 Ca -0.08 0.26 0.02 0.00 -2.02 0.00 0.00 58.31 56.49 2j5i n LYS 9 Cb 0.59 -1.73 0.03 0.00 -0.02 0.00 0.00 35.03 33.90 2j5i n LYS 9 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2j5i n THR 10 N -3.24 0.34 -3.80 -0.18 -2.24 -1.26 -4.90 114.28 98.99 2j5i n THR 10 Ca -0.26 -0.67 -0.13 0.00 -2.27 0.00 0.00 64.05 60.73 2j5i n THR 10 Cb 1.05 0.88 -0.12 0.00 -2.10 0.00 0.00 70.33 70.05 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 -0.55 0.01 0.01 2.28 1.01 -1.26 -0.18 120.40 121.72 2j5i s VAL 11 Ca 0.06 -0.07 0.08 0.00 0.00 0.00 0.00 61.98 62.05 2j5i s VAL 11 Cb 0.03 -0.34 -0.03 0.00 0.00 0.00 0.00 36.38 36.05 2j5i s VAL 11 CO 0.05 -0.04 -0.25 -0.54 0.00 0.00 0.00 175.10 174.32 2j5i s LYS 12 N -0.04 1.97 -0.14 2.72 1.02 0.01 -4.25 119.74 121.03 2j5i s LYS 12 Ca -0.02 -1.01 0.02 0.00 0.02 0.00 0.00 55.97 54.98 2j5i s LYS 12 Cb -0.02 -2.03 0.00 0.00 -0.52 0.00 0.00 37.83 35.26 2j5i s LYS 12 CO 0.01 0.54 -0.20 0.08 -0.92 0.00 0.00 175.35 174.85 2j5i s VAL 13 N -0.73 2.27 -0.16 3.17 1.01 -1.26 -0.24 120.40 124.46 2j5i s VAL 13 Ca 0.11 -0.91 -0.00 0.00 0.00 0.00 0.00 61.98 61.18 2j5i s VAL 13 Cb -0.10 -1.92 0.04 0.00 0.00 0.00 0.00 36.38 34.39 2j5i s VAL 13 CO 0.01 0.54 -0.08 -1.61 0.00 0.00 0.00 175.10 173.96 2j5i s GLU 14 N 0.76 1.72 -0.15 2.72 2.02 -0.34 -4.67 118.70 120.76 2j5i s GLU 14 Ca -0.08 -0.57 -0.01 0.00 0.02 0.00 0.00 54.97 54.33 2j5i s GLU 14 Cb -0.16 -2.07 -0.01 0.00 0.10 0.00 0.00 34.13 31.99 2j5i s GLU 14 CO -0.00 -0.38 -0.11 0.42 0.02 0.00 0.00 175.26 175.21 2j5i s ILE 15 N 1.56 3.16 -0.19 -1.63 1.01 -1.26 -1.06 121.20 122.79 2j5i s ILE 15 Ca 0.01 -0.61 -0.09 0.00 0.00 0.00 0.00 60.65 59.97 2j5i s ILE 15 Cb -0.15 -2.35 0.08 0.00 0.01 0.00 0.00 42.46 40.04 2j5i s ILE 15 CO -0.08 0.51 0.45 -1.83 0.00 0.00 0.00 174.94 173.98 2j5i s GLU 16 N 0.56 0.40 -1.40 2.79 4.04 -0.77 -4.94 118.70 119.38 2j5i s GLU 16 Ca -0.07 0.95 -0.10 0.00 0.04 0.00 0.00 54.97 55.79 2j5i s GLU 16 Cb -0.15 0.16 0.03 0.00 0.02 0.00 0.00 34.13 34.19 2j5i s GLU 16 CO 0.03 -0.20 1.11 -0.25 -1.84 0.00 0.00 175.26 174.12 2j5i n ASP 17 N 4.75 -5.65 0.00 0.83 8.00 -1.26 -1.81 116.55 121.40 2j5i n ASP 17 Ca -0.17 -0.62 0.00 0.00 0.71 0.00 0.00 54.79 54.71 2j5i n ASP 17 Cb 0.53 -4.68 0.00 0.00 -0.02 0.00 0.00 41.12 36.95 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 -1.88 2.13 3.52 0.44 0.00 -1.25 -4.99 105.19 103.17 2j5i n GLY 18 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.09 5.28 -0.42 -0.61 1.01 -0.75 0.12 121.20 122.73 2j5i s ILE 19 Ca 0.00 -0.30 -0.17 0.00 0.00 0.00 0.00 60.65 60.17 2j5i s ILE 19 Cb 0.00 -3.77 0.02 0.00 0.01 0.00 0.00 42.46 38.72 2j5i s ILE 19 CO 0.00 -0.08 0.44 0.00 0.00 0.00 0.00 174.94 175.30 2j5i s ALA 20 N 1.72 3.43 -0.22 9.38 0.00 0.08 -1.85 121.76 134.31 2j5i s ALA 20 Ca 0.06 -1.49 -0.24 0.00 0.00 0.00 0.00 51.96 50.29 2j5i s ALA 20 Cb -0.18 -3.05 -0.01 0.00 0.00 0.00 0.00 23.12 19.88 2j5i s ALA 20 CO 0.10 -1.57 0.77 -0.06 0.00 0.00 0.00 175.76 175.00 2j5i s PHE 21 N 2.15 3.35 -0.33 0.00 0.40 -0.23 -0.61 117.98 122.72 2j5i s PHE 21 Ca 0.12 1.09 -0.07 0.00 -0.60 0.00 0.00 56.93 57.48 2j5i s PHE 21 Cb -0.17 -2.97 0.03 0.00 0.51 0.00 0.00 43.02 40.41 2j5i s PHE 21 CO 0.14 -0.31 0.11 0.08 0.70 0.00 0.00 175.22 175.93 2j5i s VAL 22 N 2.46 3.93 -0.29 -0.44 1.01 0.77 -1.20 120.40 126.64 2j5i s VAL 22 Ca 0.34 -0.94 -0.03 0.00 0.00 0.00 0.00 61.98 61.34 2j5i s VAL 22 Cb -0.16 -3.15 0.03 0.00 0.00 0.00 0.00 36.38 33.11 2j5i s VAL 22 CO 0.09 -0.09 0.02 -0.63 0.00 0.00 0.00 175.10 174.49 2j5i s ILE 23 N 1.45 3.27 0.27 2.22 1.01 0.66 -0.73 121.20 129.36 2j5i s ILE 23 Ca 0.00 -1.13 -0.29 0.00 0.00 0.00 0.00 60.65 59.23 2j5i s ILE 23 Cb -0.19 -2.78 -0.10 0.00 0.01 0.00 0.00 42.46 39.40 2j5i s ILE 23 CO 0.03 -0.01 1.32 -0.76 0.00 0.00 0.00 174.94 175.52 2j5i s LEU 24 N 1.34 4.42 -0.39 2.97 1.43 0.29 -0.81 118.68 127.93 2j5i s LEU 24 Ca -0.02 2.57 0.10 0.00 -1.03 0.00 0.00 54.13 55.75 2j5i s LEU 24 Cb -0.18 -3.63 0.30 0.00 0.03 0.00 0.00 46.19 42.71 2j5i s LEU 24 CO -0.01 -0.54 0.66 -3.20 0.23 0.00 0.00 176.35 173.50 2j5i n ASN 25 N 1.74 0.26 -2.96 2.29 4.05 0.74 -0.44 115.26 120.94 2j5i n ASN 25 Ca 0.03 -2.92 -0.21 0.00 0.45 0.00 0.00 54.58 51.94 2j5i n ASN 25 Cb 0.42 -0.42 -0.02 0.00 1.23 0.00 0.00 39.78 40.99 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 0.82 2.02 0.28 1.20 1.74 -1.26 -4.47 116.66 116.99 2j5i n ARG 26 Ca 0.22 -3.98 0.15 0.00 -0.77 0.00 0.00 57.85 53.47 2j5i n ARG 26 Cb 0.61 -1.88 0.83 0.00 -1.02 0.00 0.00 32.46 31.00 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 2.95 0.00 -0.02 5.56 0.13 -1.88 0.14 132.00 138.88 2j5i h PRO 27 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2j5i h PRO 27 Cb 0.84 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.97 2j5i h PRO 27 CO 0.64 0.07 0.01 0.93 -0.23 0.00 0.00 178.00 179.43 2j5i h GLU 28 N 0.00 0.02 -0.34 0.86 3.07 -1.93 -2.80 114.58 113.45 2j5i h GLU 28 Ca -0.00 -0.00 -0.23 0.00 -0.50 0.00 0.00 59.36 58.63 2j5i h GLU 28 Cb 0.26 -0.01 -0.15 0.00 -0.84 0.00 0.00 28.75 28.01 2j5i h GLU 28 CO 0.01 0.02 -0.38 1.63 -1.40 0.00 0.00 179.01 178.88 2j5i n LYS 29 N -4.54 2.21 -3.62 2.33 5.02 0.28 -4.95 118.16 114.89 2j5i n LYS 29 Ca -0.03 -3.48 -0.27 0.00 -2.02 0.00 0.00 58.31 52.51 2j5i n LYS 29 Cb 0.09 -1.88 -0.01 0.00 -0.02 0.00 0.00 35.03 33.22 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 -1.01 -3.60 -2.80 1.97 5.12 -1.01 -1.06 116.66 114.27 2j5i n ARG 30 Ca 0.32 0.46 -0.20 0.00 -1.93 0.00 0.00 57.85 56.50 2j5i n ARG 30 Cb 0.87 -5.20 0.01 0.00 -1.16 0.00 0.00 32.46 26.98 2j5i n ARG 30 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2j5i n ASN 31 N -2.43 -5.31 -4.77 0.55 3.02 -0.05 -0.87 115.26 105.40 2j5i n ASN 31 Ca 0.01 -0.14 -0.41 0.00 -0.03 0.00 0.00 54.58 54.02 2j5i n ASN 31 Cb 0.53 -4.37 0.00 0.00 -0.61 0.00 0.00 39.78 35.33 2j5i n ASN 31 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2j5i s ALA 32 N -3.00 3.45 -0.64 5.41 0.00 -0.22 -4.32 121.76 122.43 2j5i s ALA 32 Ca 0.18 1.52 -0.23 0.00 0.00 0.00 0.00 51.96 53.43 2j5i s ALA 32 Cb -0.08 -3.59 0.06 0.00 0.00 0.00 0.00 23.12 19.50 2j5i s ALA 32 CO 0.22 -1.08 0.98 -1.64 0.00 0.00 0.00 175.76 174.24 2j5i s MET 33 N -2.21 3.15 0.51 0.00 1.00 0.11 -4.67 119.30 117.20 2j5i s MET 33 Ca 0.55 -0.69 -0.02 0.00 0.00 0.00 0.00 55.69 55.53 2j5i s MET 33 Cb -0.45 -4.19 0.01 0.00 0.00 0.00 0.00 34.83 30.19 2j5i s MET 33 CO 0.60 -1.78 0.76 -1.54 0.00 0.00 0.00 175.02 173.07 2j5i s SER 34 N 3.53 5.67 0.43 3.03 1.04 -1.26 -1.76 113.70 124.39 2j5i s SER 34 Ca 0.24 0.40 0.14 0.00 0.48 0.00 0.00 55.95 57.21 2j5i s SER 34 Cb -0.16 -1.51 1.03 0.00 0.10 0.00 0.00 66.02 65.48 2j5i s SER 34 CO 0.12 -0.89 1.97 -0.65 0.98 0.00 0.00 173.24 174.78 2j5i h PRO 35 N 0.15 0.40 -0.20 4.02 0.11 -1.91 0.47 132.00 135.05 2j5i h PRO 35 Ca -0.45 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 2j5i h PRO 35 Cb 1.26 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2j5i h PRO 35 CO 0.58 0.27 0.10 1.15 -0.21 0.00 0.00 178.00 179.89 2j5i h THR 36 N 0.42 1.13 -0.81 -1.15 2.02 -1.99 -1.57 112.91 110.95 2j5i h THR 36 Ca 0.29 -0.36 -0.02 0.00 0.77 0.00 0.00 66.41 67.09 2j5i h THR 36 Cb 0.57 0.99 -0.04 0.00 -1.74 0.00 0.00 68.15 67.94 2j5i h THR 36 CO -0.08 0.12 0.43 0.25 0.37 0.00 0.00 175.52 176.61 2j5i h LEU 37 N 0.20 1.03 -0.29 2.58 6.46 -1.68 -0.78 115.31 122.84 2j5i h LEU 37 Ca 0.07 -0.11 0.03 0.00 -0.12 0.00 0.00 57.88 57.75 2j5i h LEU 37 Cb 0.10 -0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 39.74 2j5i h LEU 37 CO -0.01 0.85 0.09 0.78 -0.62 0.00 0.00 178.44 179.53 2j5i h ASN 38 N 1.14 0.09 -0.56 1.25 2.35 -0.77 0.11 115.58 119.19 2j5i h ASN 38 Ca 0.28 0.03 -0.10 0.00 -0.55 0.00 0.00 56.30 55.96 2j5i h ASN 38 Cb 0.06 0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 2j5i h ASN 38 CO -0.04 0.09 -0.05 0.03 -1.65 0.00 0.00 177.43 175.81 2j5i h ARG 39 N 0.22 1.03 -0.46 0.81 3.08 -0.96 -2.04 114.38 116.06 2j5i h ARG 39 Ca 0.13 -0.35 -0.07 0.00 0.07 0.00 0.00 59.98 59.77 2j5i h ARG 39 Cb 0.11 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 2j5i h ARG 39 CO -0.14 1.04 0.01 0.93 -1.07 0.00 0.00 179.97 180.74 2j5i h GLU 40 N 0.93 0.75 -0.03 0.04 5.08 -0.85 -2.63 114.58 117.87 2j5i h GLU 40 Ca 0.16 -0.19 -0.13 0.00 -1.00 0.00 0.00 59.36 58.20 2j5i h GLU 40 Cb 0.60 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 2j5i h GLU 40 CO 0.04 0.76 -0.59 0.52 -1.00 0.00 0.00 179.01 178.74 2j5i h MET 41 N 0.71 0.10 -0.09 2.33 2.86 -0.48 0.68 114.93 121.04 2j5i h MET 41 Ca 0.14 -0.06 0.02 0.00 -2.06 0.00 0.00 59.70 57.74 2j5i h MET 41 Cb 0.42 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.06 2j5i h MET 41 CO 0.02 0.65 -0.05 0.82 1.06 0.00 0.00 176.91 179.41 2j5i h ILE 42 N 0.07 0.85 -0.67 -1.22 2.04 -1.15 -0.90 117.51 116.54 2j5i h ILE 42 Ca -0.01 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 2j5i h ILE 42 Cb 1.05 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 37.95 2j5i h ILE 42 CO 0.08 0.00 0.39 -0.78 0.00 0.00 0.00 178.15 177.85 2j5i h ASP 43 N -0.04 0.81 -0.10 1.72 3.58 -1.09 -1.26 116.42 120.05 2j5i h ASP 43 Ca 0.05 -0.07 0.04 0.00 0.42 0.00 0.00 57.03 57.47 2j5i h ASP 43 Cb 0.12 -0.20 -0.05 0.00 1.72 0.00 0.00 39.33 40.92 2j5i h ASP 43 CO -0.12 0.64 -0.18 0.58 -2.88 0.00 0.00 179.24 177.28 2j5i h VAL 44 N 0.91 0.55 -0.55 2.25 2.07 -0.66 -0.19 116.25 120.62 2j5i h VAL 44 Ca 0.24 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.68 2j5i h VAL 44 Cb -0.01 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 2j5i h VAL 44 CO -0.04 0.00 0.04 -0.07 0.02 0.00 0.00 177.57 177.52 2j5i h LEU 45 N -0.24 0.92 -0.60 2.57 3.38 -0.95 -0.27 115.31 120.13 2j5i h LEU 45 Ca 0.09 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.70 2j5i h LEU 45 Cb 0.36 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2j5i h LEU 45 CO -0.24 0.98 0.09 -0.33 0.09 0.00 0.00 178.44 179.03 2j5i h GLU 46 N 0.84 1.00 -0.09 1.13 5.08 -1.13 -1.96 114.58 119.45 2j5i h GLU 46 Ca 0.16 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 2j5i h GLU 46 Cb 0.49 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 2j5i h GLU 46 CO 0.02 0.95 -0.03 1.15 -1.00 0.00 0.00 179.01 180.10 2j5i h THR 47 N 0.91 1.30 0.00 1.13 2.02 -0.91 -3.02 112.91 114.34 2j5i h THR 47 Ca 0.18 -0.97 -0.04 0.00 0.77 0.00 0.00 66.41 66.35 2j5i h THR 47 Cb 0.44 1.77 -0.01 0.00 -1.74 0.00 0.00 68.15 68.61 2j5i h THR 47 CO 0.01 0.27 -0.17 -0.07 0.37 0.00 0.00 175.52 175.94 2j5i h LEU 48 N -0.17 0.00 -1.22 2.58 3.38 -1.05 -2.56 115.31 116.27 2j5i h LEU 48 Ca 0.02 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.01 2j5i h LEU 48 Cb 0.44 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 2j5i h LEU 48 CO 0.01 0.17 0.53 -0.08 0.09 0.00 0.00 178.44 179.16 2j5i h GLU 49 N 0.00 1.03 -0.61 1.13 4.81 -1.21 -2.46 114.58 117.27 2j5i h GLU 49 Ca -0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2j5i h GLU 49 Cb 0.36 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.51 2j5i h GLU 49 CO 0.02 0.68 0.00 1.04 -0.73 0.00 0.00 179.01 180.02 2j5i n GLN 50 N -4.43 2.65 -3.12 1.92 1.13 -0.99 -4.88 117.38 109.67 2j5i n GLN 50 Ca 0.09 -2.51 -0.43 0.00 -1.94 0.00 0.00 57.00 52.22 2j5i n GLN 50 Cb 0.06 -1.53 -0.07 0.00 0.11 0.00 0.00 30.24 28.81 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 -1.14 6.34 0.29 1.08 3.68 -0.93 -4.95 116.67 121.05 2j5i s ASP 51 Ca 0.44 -0.20 0.22 0.00 2.13 0.00 0.00 52.55 55.14 2j5i s ASP 51 Cb 0.24 -2.32 1.08 0.00 -1.45 0.00 0.00 42.92 40.48 2j5i s ASP 51 CO 0.32 -0.71 1.68 -0.81 0.13 0.00 0.00 175.17 175.78 2j5i n PRO 52 N 6.16 0.16 0.05 4.34 -0.04 -1.26 -1.29 135.00 143.12 2j5i n PRO 52 Ca -0.02 0.55 0.13 0.00 -0.04 0.00 0.00 63.50 64.12 2j5i n PRO 52 Cb 0.48 -1.92 0.38 0.00 -0.04 0.00 0.00 33.50 32.40 2j5i n PRO 52 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2j5i n ALA 53 N -1.78 2.63 -2.70 0.55 0.00 -1.26 -4.73 120.51 113.22 2j5i n ALA 53 Ca 0.00 -0.14 -0.40 0.00 0.00 0.00 0.00 53.44 52.90 2j5i n ALA 53 Cb 0.12 -1.35 -0.11 0.00 0.00 0.00 0.00 19.45 18.11 2j5i n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2j5i s ALA 54 N -3.08 3.39 -0.14 0.00 0.00 -0.42 -3.76 121.76 117.76 2j5i s ALA 54 Ca 0.10 -1.40 0.13 0.00 0.00 0.00 0.00 51.96 50.79 2j5i s ALA 54 Cb 0.15 -2.54 -0.18 0.00 0.00 0.00 0.00 23.12 20.55 2j5i s ALA 54 CO 0.62 -0.96 0.06 0.41 0.00 0.00 0.00 175.76 175.90 2j5i n GLY 55 N 5.05 -0.72 2.92 0.00 0.00 0.12 -4.92 105.19 107.64 2j5i n GLY 55 Ca -0.13 -0.25 -0.12 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.39 0.00 -0.11 1.61 1.01 -0.82 -4.17 120.40 115.53 2j5i s VAL 56 Ca -0.07 -0.02 -0.03 0.00 0.00 0.00 0.00 61.98 61.85 2j5i s VAL 56 Cb 0.05 -0.08 -0.03 0.00 0.00 0.00 0.00 36.38 36.31 2j5i s VAL 56 CO 0.60 -0.01 0.02 -0.76 0.00 0.00 0.00 175.10 174.95 2j5i s LEU 57 N -0.01 3.63 -0.18 3.92 1.02 -0.43 -0.74 118.68 125.89 2j5i s LEU 57 Ca -0.00 0.12 0.01 0.00 0.02 0.00 0.00 54.13 54.27 2j5i s LEU 57 Cb -0.01 -1.85 0.01 0.00 0.02 0.00 0.00 46.19 44.36 2j5i s LEU 57 CO 0.00 0.32 -0.18 -0.69 0.02 0.00 0.00 176.35 175.82 2j5i s VAL 58 N -0.53 2.26 -0.25 -1.59 1.01 0.22 -0.68 120.40 120.84 2j5i s VAL 58 Ca 0.09 -0.88 -0.10 0.00 0.00 0.00 0.00 61.98 61.10 2j5i s VAL 58 Cb -0.12 -1.96 -0.05 0.00 0.00 0.00 0.00 36.38 34.26 2j5i s VAL 58 CO 0.02 0.52 0.15 -0.22 0.00 0.00 0.00 175.10 175.58 2j5i s LEU 59 N 1.23 3.94 0.27 3.92 2.96 0.33 -0.16 118.68 131.16 2j5i s LEU 59 Ca 0.03 0.01 -0.06 0.00 -0.22 0.00 0.00 54.13 53.89 2j5i s LEU 59 Cb -0.14 -2.07 -0.01 0.00 0.50 0.00 0.00 46.19 44.47 2j5i s LEU 59 CO -0.10 0.01 0.38 0.28 -1.32 0.00 0.00 176.35 175.61 2j5i s THR 60 N 1.39 0.00 0.06 3.68 -1.32 0.10 -0.91 115.64 118.63 2j5i s THR 60 Ca 0.07 -1.64 0.09 0.00 -1.21 0.00 0.00 61.69 59.00 2j5i s THR 60 Cb -0.15 -2.43 -0.03 0.00 -1.51 0.00 0.00 72.50 68.38 2j5i s THR 60 CO 0.07 0.00 -0.23 -0.83 -2.21 0.00 0.00 174.62 171.42 2j5i s GLY 61 N -3.14 1.50 0.31 6.08 0.00 -1.26 -0.55 107.32 110.26 2j5i s GLY 61 Ca 0.30 -1.27 -0.29 0.00 0.00 0.00 0.00 44.72 43.46 2j5i s GLY 61 CO 0.14 -1.17 1.13 0.00 0.00 0.00 0.00 173.10 173.20 2j5i s ALA 62 N -0.89 3.38 0.00 3.20 0.00 0.41 -4.82 121.76 123.04 2j5i s ALA 62 Ca 0.13 0.94 0.00 0.00 0.00 0.00 0.00 51.96 53.03 2j5i s ALA 62 Cb -0.10 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.67 2j5i s ALA 62 CO 0.04 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 175.95 2j5i n GLY 63 N 1.03 -0.02 0.15 0.00 0.00 -1.26 -4.00 105.19 101.09 2j5i n GLY 63 Ca -0.00 -1.02 0.05 0.00 0.00 0.00 0.00 46.02 45.05 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 -6.09 1.61 5.08 -1.90 -3.47 114.58 109.81 2j5i h GLU 64 Ca 0.00 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.77 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 0.29 -0.37 0.00 -1.00 0.00 0.00 179.01 177.93 2j5i s ALA 65 N -3.06 3.86 0.00 3.43 0.00 -1.26 -3.40 121.76 121.34 2j5i s ALA 65 Ca 0.03 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.34 2j5i s ALA 65 Cb 0.07 -2.03 0.00 0.00 0.00 0.00 0.00 23.12 21.16 2j5i s ALA 65 CO 0.74 0.71 0.11 1.87 0.00 0.00 0.00 175.76 179.20 2j5i n TRP 66 N 0.12 0.00 -3.69 0.00 -0.00 -0.46 -4.06 117.44 109.36 2j5i n TRP 66 Ca -0.03 0.00 -0.13 0.00 -0.00 0.00 0.00 57.50 57.34 2j5i n TRP 66 Cb 0.52 -0.33 -0.09 0.00 -0.00 0.00 0.00 31.31 31.40 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 -0.89 -0.00 -1.95 5.87 -1.32 -0.00 -4.30 115.64 113.04 2j5i s THR 67 Ca 0.00 0.01 0.30 0.00 -1.21 0.00 0.00 61.69 60.78 2j5i s THR 67 Cb 0.00 -0.75 0.63 0.00 -1.51 0.00 0.00 72.50 70.87 2j5i s THR 67 CO 0.00 0.00 1.96 0.00 -2.21 0.00 0.00 174.62 174.37 2j5i n ALA 68 N 2.95 2.68 0.00 11.08 0.00 -0.05 -1.48 120.51 135.71 2j5i n ALA 68 Ca -0.14 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.01 2j5i n ALA 68 Cb 0.56 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 1.16 -0.17 3.76 0.00 0.00 -1.19 -4.36 105.19 104.39 2j5i n GLY 69 Ca 0.19 -2.00 -0.40 0.00 0.00 0.00 0.00 46.02 43.81 2j5i n GLY 69 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2j5i s MET 70 N 0.00 4.64 -0.47 1.61 1.75 -1.26 0.04 119.30 125.60 2j5i s MET 70 Ca 0.00 1.80 -0.29 0.00 -1.25 0.00 0.00 55.69 55.95 2j5i s MET 70 Cb 0.00 -3.20 0.03 0.00 2.84 0.00 0.00 34.83 34.50 2j5i s MET 70 CO 0.00 0.20 1.11 0.34 -0.65 0.00 0.00 175.02 176.02 2j5i s ASP 71 N -0.81 6.62 -0.05 1.11 -1.08 -0.72 -4.67 116.67 117.08 2j5i s ASP 71 Ca 0.45 0.43 -0.20 0.00 -0.52 0.00 0.00 52.55 52.71 2j5i s ASP 71 Cb -0.32 -2.54 -0.14 0.00 -1.46 0.00 0.00 42.92 38.46 2j5i s ASP 71 CO 0.40 -1.22 0.84 -0.07 0.52 0.00 0.00 175.17 175.64 2j5i h LEU 72 N 11.13 -0.23 -0.50 -1.34 -0.00 -1.93 0.54 115.31 122.98 2j5i h LEU 72 Ca -0.23 -0.28 0.05 0.00 -0.00 0.00 0.00 57.88 57.42 2j5i h LEU 72 Cb 1.06 0.06 -0.08 0.00 -0.00 0.00 0.00 40.66 41.70 2j5i h LEU 72 CO 1.11 0.29 -0.50 0.50 -0.00 0.00 0.00 178.44 179.84 2j5i h LYS 73 N -0.90 -0.25 -0.17 1.13 1.63 -1.99 -1.08 116.57 114.94 2j5i h LYS 73 Ca -0.03 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 2j5i h LYS 73 Cb 0.50 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.18 2j5i h LYS 73 CO 0.05 -0.17 0.11 0.93 -3.45 0.00 0.00 179.45 176.92 2j5i h GLU 74 N -0.26 0.23 -0.03 1.90 4.39 -1.98 -0.82 114.58 118.00 2j5i h GLU 74 Ca 0.08 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.77 2j5i h GLU 74 Cb 0.49 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 2j5i h GLU 74 CO -0.61 0.17 -0.09 1.88 -1.16 0.00 0.00 179.01 179.20 2j5i h TYR 75 N 0.22 -0.27 0.00 4.33 0.05 -0.64 0.77 116.97 121.43 2j5i h TYR 75 Ca 0.06 0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.82 2j5i h TYR 75 Cb -0.01 0.12 -0.00 0.00 1.01 0.00 0.00 36.73 37.85 2j5i h TYR 75 CO -0.06 -0.09 -0.14 0.74 -1.05 0.00 0.00 178.16 177.57 2j5i h PHE 76 N -0.09 0.00 0.00 4.88 -1.00 -1.26 -0.51 116.94 118.96 2j5i h PHE 76 Ca 0.01 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.79 2j5i h PHE 76 Cb 0.11 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.67 2j5i h PHE 76 CO -0.51 0.14 0.00 -2.13 -1.61 0.00 0.00 178.31 174.20 2j5i n ARG 77 N -3.29 0.00 -0.26 1.51 0.63 -0.31 -1.48 116.66 113.46 2j5i n ARG 77 Ca 0.00 0.51 0.07 0.00 -0.92 0.00 0.00 57.85 57.51 2j5i n ARG 77 Cb 0.38 -1.39 0.20 0.00 0.45 0.00 0.00 32.46 32.10 2j5i n ARG 77 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 2j5i h GLU 78 N 0.00 0.30 -0.18 -0.14 5.08 -0.47 -1.86 114.58 117.31 2j5i h GLU 78 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2j5i h GLU 78 Cb 0.00 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2j5i h GLU 78 CO 0.00 0.20 0.11 0.28 -1.00 0.00 0.00 179.01 178.60 2j5i h VAL 79 N 0.31 1.06 -0.87 3.13 2.07 -1.18 -2.94 116.25 117.83 2j5i h VAL 79 Ca 0.44 -0.15 0.12 0.00 0.82 0.00 0.00 66.70 67.93 2j5i h VAL 79 Cb 0.76 0.84 -0.08 0.00 -1.52 0.00 0.00 31.29 31.28 2j5i h VAL 79 CO -0.50 0.06 0.50 0.44 0.02 0.00 0.00 177.57 178.09 2j5i h ASP 80 N 0.23 0.69 -0.18 0.57 3.32 -0.45 -2.31 116.42 118.28 2j5i h ASP 80 Ca 0.07 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.18 2j5i h ASP 80 Cb 0.00 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.49 2j5i h ASP 80 CO -0.01 0.36 0.00 0.00 -1.72 0.00 0.00 179.24 177.86 2j5i n ALA 81 N -2.38 2.84 -2.29 3.45 0.00 -0.92 -4.85 120.51 116.35 2j5i n ALA 81 Ca 0.16 -0.54 -0.15 0.00 0.00 0.00 0.00 53.44 52.90 2j5i n ALA 81 Cb 0.35 -1.03 -0.10 0.00 0.00 0.00 0.00 19.45 18.67 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 -0.38 1.53 1.12 0.00 0.00 -0.87 -5.08 107.32 103.64 2j5i s GLY 82 Ca 0.16 -1.76 -0.12 0.00 0.00 0.00 0.00 44.72 43.00 2j5i s GLY 82 CO 0.06 -1.58 1.05 2.56 0.00 0.00 0.00 173.10 175.19 2j5i s PRO 83 N -3.98 -0.56 0.26 2.90 0.04 -1.26 -4.90 135.00 127.50 2j5i s PRO 83 Ca 0.32 0.96 -0.02 0.00 0.04 0.00 0.00 61.00 62.30 2j5i s PRO 83 Cb 0.07 -1.59 0.49 0.00 0.04 0.00 0.00 34.50 33.51 2j5i s PRO 83 CO 0.10 -3.52 1.78 1.49 0.04 0.00 0.00 177.00 176.88 2j5i h GLU 84 N -2.48 0.66 0.00 4.56 4.22 -2.00 -1.95 114.58 117.59 2j5i h GLU 84 Ca -0.58 -0.04 -0.00 0.00 0.08 0.00 0.00 59.36 58.81 2j5i h GLU 84 Cb 1.32 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 2j5i h GLU 84 CO 0.49 0.43 -0.02 0.97 -2.18 0.00 0.00 179.01 178.70 2j5i h ILE 85 N 0.68 0.22 -0.63 2.32 2.10 -1.98 -1.93 117.51 118.29 2j5i h ILE 85 Ca 0.44 -0.14 0.09 0.00 1.08 0.00 0.00 64.86 66.34 2j5i h ILE 85 Cb 0.56 1.11 -0.04 0.00 -1.09 0.00 0.00 36.82 37.36 2j5i h ILE 85 CO -0.32 0.02 0.42 0.25 -1.08 0.00 0.00 178.15 177.43 2j5i h LEU 86 N 0.00 0.43 -1.08 2.19 5.85 -1.70 -1.21 115.31 119.79 2j5i h LEU 86 Ca -0.00 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 2j5i h LEU 86 Cb 0.11 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 2j5i h LEU 86 CO 0.00 0.26 0.41 -0.61 -0.34 0.00 0.00 178.44 178.17 2j5i h GLN 87 N 0.48 1.05 -0.22 1.25 4.15 -1.53 -1.56 115.11 118.72 2j5i h GLN 87 Ca 0.29 -0.12 0.06 0.00 0.77 0.00 0.00 58.65 59.65 2j5i h GLN 87 Cb 0.49 -0.21 -0.06 0.00 0.21 0.00 0.00 27.48 27.91 2j5i h GLN 87 CO -0.09 0.77 -0.21 0.93 -1.93 0.00 0.00 178.83 178.31 2j5i h GLU 88 N 1.06 -0.21 -0.48 1.69 4.39 -1.39 -0.85 114.58 118.80 2j5i h GLU 88 Ca 0.27 0.01 0.02 0.00 0.34 0.00 0.00 59.36 60.00 2j5i h GLU 88 Cb 0.03 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.70 2j5i h GLU 88 CO -0.04 -0.14 0.29 -0.22 -1.16 0.00 0.00 179.01 177.74 2j5i h LYS 89 N -0.21 0.58 -0.34 2.33 3.64 -1.35 -1.33 116.57 119.88 2j5i h LYS 89 Ca 0.13 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.40 2j5i h LYS 89 Cb 0.41 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 2j5i h LYS 89 CO -0.35 0.38 -0.07 0.82 -2.27 0.00 0.00 179.45 177.96 2j5i h ILE 90 N 0.59 1.28 -0.53 2.00 2.04 -0.94 -0.95 117.51 121.00 2j5i h ILE 90 Ca 0.19 -1.12 -0.05 0.00 1.00 0.00 0.00 64.86 64.88 2j5i h ILE 90 Cb -0.01 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 2j5i h ILE 90 CO -0.07 0.36 0.15 0.03 0.00 0.00 0.00 178.15 178.63 2j5i h ARG 91 N 0.44 0.84 -0.53 2.37 3.08 -1.13 -2.03 114.38 117.42 2j5i h ARG 91 Ca 0.09 -0.19 0.02 0.00 0.07 0.00 0.00 59.98 59.97 2j5i h ARG 91 Cb 0.56 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.46 2j5i h ARG 91 CO 0.03 0.78 0.32 -0.09 -1.07 0.00 0.00 179.97 179.94 2j5i h ARG 92 N 0.74 0.61 -0.51 0.04 2.43 -1.07 -1.75 114.38 114.88 2j5i h ARG 92 Ca 0.17 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.25 2j5i h ARG 92 Cb 0.30 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 2j5i h ARG 92 CO -0.00 0.41 0.12 0.93 -1.51 0.00 0.00 179.97 179.91 2j5i h GLU 93 N 0.63 0.78 0.36 0.20 5.08 -1.01 0.30 114.58 120.93 2j5i h GLU 93 Ca 0.21 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 2j5i h GLU 93 Cb 0.01 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.15 2j5i h GLU 93 CO -0.09 0.71 -0.17 0.00 -1.00 0.00 0.00 179.01 178.46 2j5i h ALA 94 N 1.38 -0.49 -0.73 3.43 0.00 -1.03 -3.13 119.26 118.69 2j5i h ALA 94 Ca 0.17 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2j5i h ALA 94 Cb 0.29 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 2j5i h ALA 94 CO -0.00 -0.75 0.39 0.77 0.00 0.00 0.00 179.25 179.66 2j5i h SER 95 N -0.54 0.92 -0.60 0.00 0.02 -1.04 -2.01 113.55 110.28 2j5i h SER 95 Ca -0.05 -0.11 0.11 0.00 -0.84 0.00 0.00 61.79 60.90 2j5i h SER 95 Cb 0.41 -0.23 -0.12 0.00 0.14 0.00 0.00 62.40 62.60 2j5i h SER 95 CO 0.08 0.76 -0.32 -0.61 -1.14 0.00 0.00 176.83 175.60 2j5i h GLN 96 N 1.01 -0.14 0.05 3.45 5.75 -0.36 -0.29 115.11 124.58 2j5i h GLN 96 Ca 0.26 0.01 -0.29 0.00 -0.15 0.00 0.00 58.65 58.48 2j5i h GLN 96 Cb 0.06 0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.61 2j5i h GLN 96 CO -0.04 -0.10 -1.53 0.11 -2.65 0.00 0.00 178.83 174.62 2j5i h TRP 97 N -0.15 0.21 0.00 3.99 5.08 -1.53 0.10 115.95 123.65 2j5i h TRP 97 Ca 0.24 -0.15 -0.08 0.00 1.08 0.00 0.00 58.89 59.98 2j5i h TRP 97 Cb 0.55 -0.01 -0.01 0.00 -3.00 0.00 0.00 29.16 26.69 2j5i h TRP 97 CO -0.63 1.21 -0.38 1.96 -1.28 0.00 0.00 178.44 179.31 2j5i h GLN 98 N 0.03 0.00 0.00 0.12 4.20 -1.11 -3.32 115.11 115.03 2j5i h GLN 98 Ca -0.23 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.48 2j5i h GLN 98 Cb 1.97 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.75 2j5i h GLN 98 CO 0.12 0.38 0.00 -2.67 -0.67 0.00 0.00 178.83 175.99 2j5i n TRP 99 N -4.07 0.00 -0.11 2.96 4.27 -0.79 -3.41 117.44 116.29 2j5i n TRP 99 Ca -0.02 0.00 -0.09 0.00 -3.89 0.00 0.00 57.50 53.50 2j5i n TRP 99 Cb 0.42 0.00 -0.01 0.00 -1.36 0.00 0.00 31.31 30.35 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 0.49 0.14 -2.67 1.57 -1.08 -1.04 116.57 113.98 2j5i h LYS 100 Ca 0.00 -0.07 -0.29 0.00 -1.87 0.00 0.00 60.65 58.42 2j5i h LYS 100 Cb 0.00 -0.09 0.02 0.00 0.08 0.00 0.00 32.23 32.24 2j5i h LYS 100 CO 0.00 0.43 -1.26 -0.07 -0.57 0.00 0.00 179.45 177.98 2j5i h LEU 101 N 0.43 0.74 0.19 2.94 3.38 -1.00 -3.41 115.31 118.57 2j5i h LEU 101 Ca 0.12 -0.71 -0.32 0.00 0.09 0.00 0.00 57.88 57.06 2j5i h LEU 101 Cb 0.09 -0.23 0.02 0.00 0.09 0.00 0.00 40.66 40.62 2j5i h LEU 101 CO -0.02 1.53 -1.45 0.25 0.09 0.00 0.00 178.44 178.84 2j5i h LEU 102 N 0.20 0.62 -0.52 1.67 5.85 -1.63 -2.98 115.31 118.52 2j5i h LEU 102 Ca -0.18 -0.72 -0.04 0.00 0.84 0.00 0.00 57.88 57.78 2j5i h LEU 102 Cb 1.94 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.75 2j5i h LEU 102 CO 0.23 1.57 0.15 -0.09 -0.34 0.00 0.00 178.44 179.97 2j5i h ARG 103 N 0.11 0.81 -1.33 1.25 2.43 -1.34 -2.73 114.38 113.59 2j5i h ARG 103 Ca -0.23 -0.18 -0.66 0.00 -0.81 0.00 0.00 59.98 58.11 2j5i h ARG 103 Cb 2.08 -0.12 -0.34 0.00 -0.42 0.00 0.00 29.97 31.17 2j5i h ARG 103 CO 0.23 0.76 0.20 -1.33 -1.51 0.00 0.00 179.97 178.31 2j5i n MET 104 N -4.47 3.08 -2.13 0.20 2.81 -1.26 -4.91 117.12 110.44 2j5i n MET 104 Ca 0.02 -3.81 -0.37 0.00 -1.81 0.00 0.00 57.70 51.72 2j5i n MET 104 Cb 0.20 -2.27 0.00 0.00 -0.71 0.00 0.00 33.22 30.44 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 -3.78 2.71 0.34 2.03 6.04 -1.03 -4.90 117.35 118.75 2j5i s TYR 105 Ca 0.55 1.49 0.30 0.00 0.04 0.00 0.00 57.07 59.45 2j5i s TYR 105 Cb 0.44 -3.49 1.44 0.00 -1.04 0.00 0.00 41.96 39.32 2j5i s TYR 105 CO -0.15 -1.88 2.04 0.00 -1.54 0.00 0.00 175.55 174.03 2j5i h ALA 106 N 1.85 1.16 -3.06 3.97 0.00 -1.92 -3.44 119.26 117.82 2j5i h ALA 106 Ca -0.50 -0.10 -0.62 0.00 0.00 0.00 0.00 54.91 53.69 2j5i h ALA 106 Cb 1.26 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.92 2j5i h ALA 106 CO 0.59 0.13 -0.65 0.15 0.00 0.00 0.00 179.25 179.48 2j5i s LYS 107 N -4.00 2.51 0.51 0.00 1.02 -1.26 -4.65 119.74 113.87 2j5i s LYS 107 Ca -0.02 -0.97 -0.22 0.00 0.02 0.00 0.00 55.97 54.78 2j5i s LYS 107 Cb 0.12 -2.46 -0.06 0.00 -0.52 0.00 0.00 37.83 34.91 2j5i s LYS 107 CO 0.57 0.49 1.24 -1.25 -0.92 0.00 0.00 175.35 175.48 2j5i s PRO 108 N -2.70 3.42 0.01 -1.68 0.04 -1.26 -4.87 135.00 127.97 2j5i s PRO 108 Ca 0.27 1.95 0.02 0.00 0.04 0.00 0.00 61.00 63.28 2j5i s PRO 108 Cb -0.10 -2.28 -0.01 0.00 0.04 0.00 0.00 34.50 32.14 2j5i s PRO 108 CO 0.19 -0.87 -0.08 0.95 0.04 0.00 0.00 177.00 177.23 2j5i s THR 109 N -1.47 0.60 -0.04 1.26 -4.23 -1.26 -1.31 115.64 109.19 2j5i s THR 109 Ca 0.68 -0.54 -0.00 0.00 -1.18 0.00 0.00 61.69 60.65 2j5i s THR 109 Cb -0.33 -0.55 0.03 0.00 1.34 0.00 0.00 72.50 72.99 2j5i s THR 109 CO 0.39 0.01 0.00 -0.63 -0.54 0.00 0.00 174.62 173.86 2j5i s ILE 110 N -0.51 0.20 -0.07 2.99 1.01 0.15 -2.10 121.20 122.87 2j5i s ILE 110 Ca -0.00 0.11 -0.23 0.00 0.00 0.00 0.00 60.65 60.53 2j5i s ILE 110 Cb -0.05 -0.32 -0.04 0.00 0.01 0.00 0.00 42.46 42.06 2j5i s ILE 110 CO 0.00 0.17 0.66 0.00 0.00 0.00 0.00 174.94 175.78 2j5i s ALA 111 N 1.28 3.36 -0.44 9.38 0.00 0.29 -0.51 121.76 135.12 2j5i s ALA 111 Ca -0.06 0.08 -0.01 0.00 0.00 0.00 0.00 51.96 51.97 2j5i s ALA 111 Cb -0.13 -2.90 0.12 0.00 0.00 0.00 0.00 23.12 20.21 2j5i s ALA 111 CO -0.02 -0.07 0.22 1.41 0.00 0.00 0.00 175.76 177.29 2j5i s MET 112 N 0.72 1.99 -0.68 0.00 1.75 -0.08 -1.13 119.30 121.87 2j5i s MET 112 Ca 0.36 -2.01 -0.18 0.00 -1.25 0.00 0.00 55.69 52.60 2j5i s MET 112 Cb -0.17 -3.52 0.12 0.00 2.84 0.00 0.00 34.83 34.10 2j5i s MET 112 CO 0.17 -1.07 0.79 0.08 -0.65 0.00 0.00 175.02 174.34 2j5i s VAL 113 N 0.78 4.91 -0.36 10.11 1.01 0.12 -4.45 120.40 132.52 2j5i s VAL 113 Ca 0.11 -1.30 0.22 0.00 0.00 0.00 0.00 61.98 61.01 2j5i s VAL 113 Cb -0.22 -4.54 0.23 0.00 0.00 0.00 0.00 36.38 31.85 2j5i s VAL 113 CO -0.04 -1.18 1.46 -0.55 0.00 0.00 0.00 175.10 174.79 2j5i h ASN 114 N 8.93 0.00 0.00 3.32 -1.07 -1.89 -1.76 115.58 123.11 2j5i h ASN 114 Ca -0.16 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.21 2j5i h ASN 114 Cb 1.07 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.32 2j5i h ASN 114 CO 1.05 0.08 0.00 0.61 0.07 0.00 0.00 177.43 179.24 2j5i n GLY 115 N 1.14 2.54 3.71 9.14 0.00 -1.25 -4.61 105.19 115.85 2j5i n GLY 115 Ca 0.03 -0.10 -0.62 0.00 0.00 0.00 0.00 46.02 45.33 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 1.83 -3.81 1.61 7.02 -1.22 -3.77 117.44 119.09 2j5i n TRP 116 Ca 0.00 0.82 -0.30 0.00 -1.02 0.00 0.00 57.50 57.00 2j5i n TRP 116 Cb 0.00 -2.34 -0.15 0.00 -2.42 0.00 0.00 31.31 26.40 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 1.55 1.84 0.00 0.00 0.40 -0.55 -2.35 117.98 118.87 2j5i s PHE 118 Ca 0.04 -0.43 0.00 0.00 -0.60 0.00 0.00 56.93 55.94 2j5i s PHE 118 Cb -0.18 -0.98 0.00 0.00 0.51 0.00 0.00 43.02 42.37 2j5i s PHE 118 CO -0.15 0.25 0.00 0.41 0.70 0.00 0.00 175.22 176.43 2j5i n GLY 119 N 0.86 2.89 0.25 4.36 0.00 -0.62 -1.31 105.19 111.61 2j5i n GLY 119 Ca -0.18 0.31 0.17 0.00 0.00 0.00 0.00 46.02 46.32 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 2.00 -0.02 0.00 -1.90 -1.07 103.07 102.09 2j5i h GLY 120 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 2j5i h GLY 120 CO 0.00 0.00 -0.02 -1.33 0.00 0.00 0.00 176.54 175.19 2j5i h GLY 121 N 0.07 0.00 1.60 4.60 0.00 -1.49 -2.93 103.07 104.92 2j5i h GLY 121 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.36 2j5i h GLY 121 CO 0.00 0.00 0.21 0.74 0.00 0.00 0.00 176.54 177.49 2j5i h PHE 122 N 0.00 0.30 0.82 5.60 -1.00 -1.40 -2.34 116.94 118.93 2j5i h PHE 122 Ca -0.00 0.01 -0.04 0.00 2.81 0.00 0.00 57.97 60.75 2j5i h PHE 122 Cb 0.03 -0.10 0.01 0.00 3.61 0.00 0.00 35.95 39.50 2j5i h PHE 122 CO 0.00 0.18 -0.40 0.77 -1.61 0.00 0.00 178.31 177.25 2j5i h SER 123 N 0.32 -0.94 0.25 2.17 0.02 -1.75 -1.74 113.55 111.88 2j5i h SER 123 Ca 0.13 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.09 2j5i h SER 123 Cb 0.12 0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.90 2j5i h SER 123 CO -0.03 -0.62 -0.11 1.55 -1.14 0.00 0.00 176.83 176.49 2j5i h PRO 124 N -1.22 0.00 -0.56 3.45 0.13 -1.57 -0.61 132.00 131.62 2j5i h PRO 124 Ca -0.11 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.01 2j5i h PRO 124 Cb 0.85 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.95 2j5i h PRO 124 CO 0.19 0.11 0.33 1.25 -0.23 0.00 0.00 178.00 179.65 2j5i h LEU 125 N 0.00 0.68 0.02 1.56 5.85 -1.21 -1.41 115.31 120.81 2j5i h LEU 125 Ca -0.00 -0.06 -0.24 0.00 0.84 0.00 0.00 57.88 58.41 2j5i h LEU 125 Cb 0.27 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 2j5i h LEU 125 CO 0.01 0.55 -1.23 0.58 -0.34 0.00 0.00 178.44 178.01 2j5i h VAL 126 N 0.76 1.45 -0.78 1.05 2.07 -0.97 -3.27 116.25 116.55 2j5i h VAL 126 Ca 0.20 -3.17 0.02 0.00 0.82 0.00 0.00 66.70 64.56 2j5i h VAL 126 Cb -0.01 2.75 -0.04 0.00 -1.52 0.00 0.00 31.29 32.47 2j5i h VAL 126 CO -0.04 0.84 0.52 0.00 0.02 0.00 0.00 177.57 178.91 2j5i h ALA 127 N 0.92 1.47 -2.35 1.67 0.00 -1.00 -3.42 119.26 116.55 2j5i h ALA 127 Ca -0.10 -0.05 -0.58 0.00 0.00 0.00 0.00 54.91 54.18 2j5i h ALA 127 Cb 1.86 -0.30 0.09 0.00 0.00 0.00 0.00 17.79 19.45 2j5i h ALA 127 CO 0.13 0.48 0.53 0.00 0.00 0.00 0.00 179.25 180.38 2j5i h ASP 129 N 3.45 -0.35 -2.91 0.00 3.45 -1.68 -3.45 116.42 114.93 2j5i h ASP 129 Ca -0.45 0.02 -0.50 0.00 0.43 0.00 0.00 57.03 56.54 2j5i h ASP 129 Cb 1.28 0.11 -0.14 0.00 -0.56 0.00 0.00 39.33 40.02 2j5i h ASP 129 CO 0.70 -0.22 -0.68 -0.76 -1.57 0.00 0.00 179.24 176.71 2j5i s LEU 130 N -10.18 2.49 -0.15 1.55 1.43 -0.99 -5.04 118.68 107.79 2j5i s LEU 130 Ca -0.15 -1.18 -0.12 0.00 -1.03 0.00 0.00 54.13 51.65 2j5i s LEU 130 Cb 0.06 -0.65 0.04 0.00 0.03 0.00 0.00 46.19 45.67 2j5i s LEU 130 CO 0.65 -0.32 0.39 0.00 0.23 0.00 0.00 176.35 177.29 2j5i s ALA 131 N -2.99 -0.96 -0.05 4.21 0.00 -1.26 -0.55 121.76 120.15 2j5i s ALA 131 Ca 0.29 1.17 0.03 0.00 0.00 0.00 0.00 51.96 53.45 2j5i s ALA 131 Cb 0.03 -0.69 0.00 0.00 0.00 0.00 0.00 23.12 22.47 2j5i s ALA 131 CO 0.12 -0.20 -0.15 0.42 0.00 0.00 0.00 175.76 175.95 2j5i s ILE 132 N 0.45 1.30 0.33 0.00 -1.09 -0.29 -0.45 121.20 121.45 2j5i s ILE 132 Ca -0.02 -0.61 0.08 0.00 -2.23 0.00 0.00 60.65 57.87 2j5i s ILE 132 Cb -0.04 -1.14 -0.06 0.00 -1.58 0.00 0.00 42.46 39.63 2j5i s ILE 132 CO -0.02 0.38 -0.06 0.00 -1.23 0.00 0.00 174.94 174.01 2j5i s ALA 134 N -2.80 3.43 0.36 0.00 0.00 -0.66 -1.30 121.76 120.79 2j5i s ALA 134 Ca 0.32 0.36 0.17 0.00 0.00 0.00 0.00 51.96 52.81 2j5i s ALA 134 Cb 0.04 -2.97 1.15 0.00 0.00 0.00 0.00 23.12 21.34 2j5i s ALA 134 CO 0.15 0.25 1.66 -0.44 0.00 0.00 0.00 175.76 177.38 2j5i h ASP 135 N 4.55 0.47 0.75 0.00 3.32 -0.79 -1.40 116.42 123.31 2j5i h ASP 135 Ca -0.46 0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.77 2j5i h ASP 135 Cb 1.21 0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.89 2j5i h ASP 135 CO 0.67 -0.14 0.00 -0.62 -1.72 0.00 0.00 179.24 177.42 2j5i n GLU 136 N -4.99 0.04 -2.24 3.56 4.71 -1.26 -2.91 120.64 117.55 2j5i n GLU 136 Ca 0.32 0.19 -0.35 0.00 -0.01 0.00 0.00 57.16 57.31 2j5i n GLU 136 Cb 1.05 -1.56 0.00 0.00 -1.01 0.00 0.00 31.44 29.92 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 -3.04 2.72 -0.07 0.62 0.00 -0.53 -4.89 121.76 116.57 2j5i s ALA 137 Ca 0.09 0.85 0.05 0.00 0.00 0.00 0.00 51.96 52.96 2j5i s ALA 137 Cb 0.13 -3.37 -0.01 0.00 0.00 0.00 0.00 23.12 19.87 2j5i s ALA 137 CO 0.38 -0.78 -0.24 0.99 0.00 0.00 0.00 175.76 176.11 2j5i s THR 138 N -1.73 2.02 0.15 0.00 2.01 -1.26 -2.38 115.64 114.45 2j5i s THR 138 Ca 0.72 -1.03 0.09 0.00 0.31 0.00 0.00 61.69 61.78 2j5i s THR 138 Cb -0.25 -1.72 -0.04 0.00 0.01 0.00 0.00 72.50 70.50 2j5i s THR 138 CO 0.28 0.56 -0.17 -0.36 -0.69 0.00 0.00 174.62 174.24 2j5i s PHE 139 N -0.00 2.51 -0.18 4.92 0.40 0.35 -1.06 117.98 124.92 2j5i s PHE 139 Ca -0.08 -0.28 -0.31 0.00 -0.60 0.00 0.00 56.93 55.67 2j5i s PHE 139 Cb -0.15 -1.28 0.14 0.00 0.51 0.00 0.00 43.02 42.24 2j5i s PHE 139 CO 0.05 0.44 1.10 0.20 0.70 0.00 0.00 175.22 177.71 2j5i s GLY 140 N -2.43 -0.21 -0.98 4.36 0.00 -0.99 -1.60 107.32 105.47 2j5i s GLY 140 Ca 0.20 2.04 -0.04 0.00 0.00 0.00 0.00 44.72 46.92 2j5i s GLY 140 CO 0.11 0.90 0.93 1.04 0.00 0.00 0.00 173.10 176.09 2j5i n LEU 141 N 0.46 4.76 0.00 0.66 7.99 -1.26 -1.60 117.00 128.01 2j5i n LEU 141 Ca -0.06 -5.11 0.12 0.00 -0.01 0.00 0.00 56.01 50.94 2j5i n LEU 141 Cb 0.59 -1.23 0.59 0.00 -0.11 0.00 0.00 43.42 43.25 2j5i n LEU 141 CO 0.12 1.51 0.88 -1.20 -1.51 0.00 0.00 177.39 177.20 2j5i n SER 142 N 2.34 0.00 -0.28 -1.43 7.64 -1.26 -4.08 113.62 116.55 2j5i n SER 142 Ca 0.23 -0.01 0.03 0.00 1.01 0.00 0.00 58.87 60.13 2j5i n SER 142 Cb 0.38 -0.30 0.12 0.00 -1.01 0.00 0.00 64.21 63.39 2j5i n SER 142 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2j5i h GLU 143 N 0.00 0.01 -0.51 1.43 3.07 -1.90 -1.09 114.58 115.59 2j5i h GLU 143 Ca 0.00 -0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 2j5i h GLU 143 Cb 0.24 -0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.12 2j5i h GLU 143 CO 0.00 0.01 0.25 0.97 -1.40 0.00 0.00 179.01 178.84 2j5i h ILE 144 N 0.01 1.17 0.00 3.13 6.09 -1.66 -0.65 117.51 125.60 2j5i h ILE 144 Ca 0.40 -0.47 0.00 0.00 -1.37 0.00 0.00 64.86 63.43 2j5i h ILE 144 Cb 0.64 0.51 0.00 0.00 0.47 0.00 0.00 36.82 38.44 2j5i h ILE 144 CO -0.81 0.19 0.00 0.78 -3.07 0.00 0.00 178.15 175.24 2j5i h ASN 145 N 0.72 0.00 -0.52 2.19 2.35 -1.50 -2.16 115.58 116.65 2j5i h ASN 145 Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 2j5i h ASN 145 Cb 0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.43 2j5i h ASN 145 CO -0.03 0.00 0.00 0.79 -1.65 0.00 0.00 177.43 176.54 2j5i n TRP 146 N -2.95 0.96 -1.66 1.19 5.03 -0.34 -4.95 117.44 114.73 2j5i n TRP 146 Ca 0.02 -0.42 -0.05 0.00 3.03 0.00 0.00 57.50 60.08 2j5i n TRP 146 Cb 0.37 -0.11 -0.01 0.00 -1.03 0.00 0.00 31.31 30.53 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 1.14 0.46 3.12 6.99 0.00 -0.81 -5.06 105.19 111.02 2j5i n GLY 147 Ca 0.19 -0.73 -0.17 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.24 0.90 0.78 -0.61 -0.00 -0.70 -5.01 121.20 114.32 2j5i s ILE 148 Ca 0.00 -1.07 -0.12 0.00 -0.00 0.00 0.00 60.65 59.47 2j5i s ILE 148 Cb 0.00 -0.87 0.06 0.00 -0.00 0.00 0.00 42.46 41.65 2j5i s ILE 148 CO 0.00 -0.17 1.11 -2.16 -0.00 0.00 0.00 174.94 173.72 2j5i s PRO 149 N -1.39 2.27 0.01 0.37 0.04 -1.26 -2.72 135.00 132.32 2j5i s PRO 149 Ca -0.03 0.45 -0.34 0.00 0.04 0.00 0.00 61.00 61.13 2j5i s PRO 149 Cb -0.09 -1.96 -0.13 0.00 0.04 0.00 0.00 34.50 32.37 2j5i s PRO 149 CO 0.01 -1.45 1.76 -2.30 0.04 0.00 0.00 177.00 175.06 2j5i n PRO 150 N -3.28 2.16 -2.81 0.56 -0.02 -1.26 -4.90 135.00 125.44 2j5i n PRO 150 Ca 0.07 0.79 -0.19 0.00 -2.02 0.00 0.00 63.50 62.15 2j5i n PRO 150 Cb 0.58 -2.60 0.03 0.00 -0.02 0.00 0.00 33.50 31.48 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 2.78 1.88 0.00 -1.23 0.00 -1.26 -4.74 107.32 104.75 2j5i s GLY 151 Ca 0.87 -1.51 0.00 0.00 0.00 0.00 0.00 44.72 44.08 2j5i s GLY 151 CO 0.46 -1.26 0.00 -2.01 0.00 0.00 0.00 173.10 170.29 2j5i n ASN 152 N -2.13 0.00 -1.79 1.64 5.15 -1.26 -2.89 115.26 113.99 2j5i n ASN 152 Ca 0.08 0.00 0.08 0.00 -0.60 0.00 0.00 54.58 54.14 2j5i n ASN 152 Cb 0.59 0.00 0.39 0.00 -0.53 0.00 0.00 39.78 40.24 2j5i n ASN 152 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2j5i n LEU 153 N 0.00 5.40 -0.15 1.20 7.99 -1.26 -4.64 117.00 125.54 2j5i n LEU 153 Ca 0.00 -2.76 -0.06 0.00 -0.01 0.00 0.00 56.01 53.18 2j5i n LEU 153 Cb 0.00 -0.65 0.03 0.00 -0.11 0.00 0.00 43.42 42.69 2j5i n LEU 153 CO 0.00 0.70 1.03 0.58 -1.51 0.00 0.00 177.39 178.19 2j5i h VAL 154 N 4.04 1.01 -0.21 4.08 2.07 -1.84 -0.92 116.25 124.49 2j5i h VAL 154 Ca 0.00 -0.18 -0.06 0.00 0.82 0.00 0.00 66.70 67.28 2j5i h VAL 154 Cb 1.80 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 2j5i h VAL 154 CO 0.40 0.09 -0.14 0.28 0.02 0.00 0.00 177.57 178.22 2j5i h SER 155 N 0.52 0.32 -0.33 0.57 0.02 -1.85 -2.04 113.55 110.76 2j5i h SER 155 Ca 0.20 -0.08 -0.15 0.00 -0.84 0.00 0.00 61.79 60.92 2j5i h SER 155 Cb 0.06 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.51 2j5i h SER 155 CO -0.11 0.49 -0.38 0.50 -1.14 0.00 0.00 176.83 176.19 2j5i h LYS 156 N 0.32 0.84 -0.40 3.45 1.63 -1.76 0.18 116.57 120.83 2j5i h LYS 156 Ca 0.06 -0.46 0.07 0.00 -0.85 0.00 0.00 60.65 59.47 2j5i h LYS 156 Cb 0.44 0.02 -0.06 0.00 -0.60 0.00 0.00 32.23 32.03 2j5i h LYS 156 CO 0.03 1.10 0.01 0.00 -3.45 0.00 0.00 179.45 177.14 2j5i h ALA 157 N 0.73 0.38 -0.08 5.00 0.00 -0.88 0.09 119.26 124.51 2j5i h ALA 157 Ca 0.05 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2j5i h ALA 157 Cb 0.97 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 2j5i h ALA 157 CO 0.09 -0.38 0.04 0.52 0.00 0.00 0.00 179.25 179.52 2j5i h MET 158 N 0.12 0.11 -1.00 0.00 2.86 -1.27 -2.94 114.93 112.81 2j5i h MET 158 Ca 0.20 -0.01 0.16 0.00 -2.06 0.00 0.00 59.70 57.99 2j5i h MET 158 Cb 0.28 -0.02 -0.10 0.00 0.06 0.00 0.00 31.60 31.82 2j5i h MET 158 CO -0.32 0.15 0.62 0.00 1.06 0.00 0.00 176.91 178.42 2j5i h ALA 159 N 0.95 1.65 0.00 6.32 0.00 -0.07 0.76 119.26 128.87 2j5i h ALA 159 Ca 0.03 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 2j5i h ALA 159 Cb 0.08 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2j5i h ALA 159 CO -0.00 0.04 -0.54 -0.44 0.00 0.00 0.00 179.25 178.30 2j5i h ASP 160 N 0.83 0.00 0.00 0.00 3.32 -0.86 -3.38 116.42 116.33 2j5i h ASP 160 Ca 0.54 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.53 2j5i h ASP 160 Cb 0.75 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.29 2j5i h ASP 160 CO -0.32 0.54 -1.27 0.35 -1.72 0.00 0.00 179.24 176.82 2j5i n THR 161 N -3.71 0.21 -5.15 0.35 -2.24 -0.75 -5.05 114.28 97.93 2j5i n THR 161 Ca -0.01 -0.16 -0.31 0.00 -2.27 0.00 0.00 64.05 61.30 2j5i n THR 161 Cb 0.59 -0.50 -0.15 0.00 -2.10 0.00 0.00 70.33 68.16 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 -2.17 2.32 0.64 2.28 1.01 0.19 -4.16 120.40 120.51 2j5i s VAL 162 Ca -0.02 -1.05 -0.17 0.00 0.00 0.00 0.00 61.98 60.74 2j5i s VAL 162 Cb 0.02 -1.85 -0.05 0.00 0.00 0.00 0.00 36.38 34.50 2j5i s VAL 162 CO 0.18 0.56 0.68 0.61 0.00 0.00 0.00 175.10 177.12 2j5i n GLY 163 N 2.32 -1.12 0.31 4.51 0.00 -1.26 -4.56 105.19 105.39 2j5i n GLY 163 Ca -0.16 -0.24 -0.08 0.00 0.00 0.00 0.00 46.02 45.54 2j5i n GLY 163 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2j5i h HIS 164 N 0.07 -0.78 -0.17 1.61 2.76 -1.94 0.39 115.15 117.09 2j5i h HIS 164 Ca -0.46 0.05 -0.00 0.00 -2.20 0.00 0.00 60.37 57.75 2j5i h HIS 164 Cb 1.37 0.39 -0.01 0.00 1.55 0.00 0.00 27.41 30.71 2j5i h HIS 164 CO 0.34 -0.36 0.11 0.00 -1.30 0.00 0.00 177.93 176.72 2j5i h ARG 165 N -0.26 0.23 -0.58 5.26 2.47 -2.00 -2.02 114.38 117.48 2j5i h ARG 165 Ca 0.15 -0.02 -0.07 0.00 -1.26 0.00 0.00 59.98 58.79 2j5i h ARG 165 Cb 0.51 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.75 2j5i h ARG 165 CO -0.46 0.19 0.10 1.96 0.56 0.00 0.00 179.97 182.32 2j5i h GLN 166 N 0.21 0.93 -0.47 0.04 4.20 -1.86 -0.87 115.11 117.28 2j5i h GLN 166 Ca 0.06 -0.22 -0.07 0.00 0.06 0.00 0.00 58.65 58.49 2j5i h GLN 166 Cb 0.02 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 2j5i h GLN 166 CO -0.01 0.86 0.04 0.77 -0.67 0.00 0.00 178.83 179.81 2j5i h SER 167 N 0.88 0.78 0.05 1.46 0.02 -0.79 -1.73 113.55 114.21 2j5i h SER 167 Ca 0.18 -0.28 -0.13 0.00 -0.84 0.00 0.00 61.79 60.71 2j5i h SER 167 Cb 0.38 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 2j5i h SER 167 CO 0.01 0.87 -0.44 -0.07 -1.14 0.00 0.00 176.83 176.05 2j5i h LEU 168 N 0.66 0.52 -0.00 5.07 3.38 -1.11 -0.62 115.31 123.21 2j5i h LEU 168 Ca 0.14 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 2j5i h LEU 168 Cb 0.45 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 2j5i h LEU 168 CO 0.02 0.89 0.00 0.22 0.09 0.00 0.00 178.44 179.66 2j5i h TYR 169 N 0.39 0.00 -0.11 1.13 5.03 -0.81 0.13 116.97 122.74 2j5i h TYR 169 Ca 0.03 -0.00 -0.16 0.00 2.58 0.00 0.00 58.73 61.18 2j5i h TYR 169 Cb 0.94 -0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.21 2j5i h TYR 169 CO 0.03 0.05 -0.61 1.88 -1.32 0.00 0.00 178.16 178.20 2j5i h TYR 170 N -0.05 0.48 -0.35 -3.82 0.05 -1.15 -0.44 116.97 111.69 2j5i h TYR 170 Ca 0.00 -0.18 -0.07 0.00 0.05 0.00 0.00 58.73 58.52 2j5i h TYR 170 Cb 0.05 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 37.70 2j5i h TYR 170 CO -0.06 0.88 -0.07 0.82 -1.05 0.00 0.00 178.16 178.68 2j5i h ILE 171 N 0.28 1.28 -0.02 -2.88 2.04 -1.01 -1.57 117.51 115.62 2j5i h ILE 171 Ca -0.01 -1.13 -0.22 0.00 1.00 0.00 0.00 64.86 64.51 2j5i h ILE 171 Cb 1.13 1.30 0.00 0.00 -0.74 0.00 0.00 36.82 38.51 2j5i h ILE 171 CO 0.10 0.37 -0.91 0.24 0.00 0.00 0.00 178.15 177.95 2j5i h MET 172 N 0.45 0.45 0.00 2.37 2.86 -0.58 -3.35 114.93 117.13 2j5i h MET 172 Ca 0.09 -0.46 -0.24 0.00 -2.06 0.00 0.00 59.70 57.04 2j5i h MET 172 Cb 0.57 0.12 -0.04 0.00 0.06 0.00 0.00 31.60 32.31 2j5i h MET 172 CO 0.03 1.11 -1.80 0.25 1.06 0.00 0.00 176.91 177.56 2j5i n THR 173 N -3.77 1.24 -1.22 2.22 -2.24 -0.19 -4.98 114.28 105.34 2j5i n THR 173 Ca -0.07 -0.74 -0.08 0.00 -2.27 0.00 0.00 64.05 60.89 2j5i n THR 173 Cb 0.82 -0.67 -0.03 0.00 -2.10 0.00 0.00 70.33 68.34 2j5i n THR 173 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2j5i n GLY 174 N 1.52 0.95 3.78 3.38 0.00 -0.59 -4.89 105.19 109.33 2j5i n GLY 174 Ca -0.17 -0.52 -0.36 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.46 3.74 0.37 1.61 1.02 -1.26 -4.57 119.74 118.19 2j5i s LYS 175 Ca 0.00 1.67 -0.00 0.00 0.02 0.00 0.00 55.97 57.65 2j5i s LYS 175 Cb 0.00 -2.31 -0.03 0.00 -0.52 0.00 0.00 37.83 34.96 2j5i s LYS 175 CO 0.00 -0.54 0.59 0.95 -0.92 0.00 0.00 175.35 175.42 2j5i s THR 176 N -1.65 5.07 0.05 2.17 -4.23 -1.26 -4.47 115.64 111.31 2j5i s THR 176 Ca 0.65 -0.36 -0.08 0.00 -1.18 0.00 0.00 61.69 60.73 2j5i s THR 176 Cb -0.26 -3.86 -0.00 0.00 1.34 0.00 0.00 72.50 69.72 2j5i s THR 176 CO 0.31 -0.61 0.15 0.72 -0.54 0.00 0.00 174.62 174.65 2j5i s PHE 177 N -2.39 0.14 0.70 3.99 -0.71 -0.63 -4.99 117.98 114.10 2j5i s PHE 177 Ca 0.41 -0.44 0.02 0.00 -1.04 0.00 0.00 56.93 55.88 2j5i s PHE 177 Cb -0.10 -0.09 0.13 0.00 -1.21 0.00 0.00 43.02 41.75 2j5i s PHE 177 CO 0.37 -0.43 0.96 0.20 -1.34 0.00 0.00 175.22 174.99 2j5i s GLY 178 N -2.27 1.74 0.22 1.99 0.00 -1.26 -0.50 107.32 107.24 2j5i s GLY 178 Ca -0.03 -1.92 -0.09 0.00 0.00 0.00 0.00 44.72 42.69 2j5i s GLY 178 CO -0.06 -1.34 1.86 -1.33 0.00 0.00 0.00 173.10 172.24 2j5i h GLY 179 N -0.39 1.13 1.03 0.20 0.00 -1.34 -0.95 103.07 102.75 2j5i h GLY 179 Ca -0.33 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.62 2j5i h GLY 179 CO 0.39 0.32 0.61 1.46 0.00 0.00 0.00 176.54 179.32 2j5i h GLN 180 N 0.97 1.29 -0.25 4.80 1.08 -1.84 -1.44 115.11 119.72 2j5i h GLN 180 Ca 0.31 -0.10 -0.04 0.00 -1.45 0.00 0.00 58.65 57.37 2j5i h GLN 180 Cb 0.01 -0.28 -0.01 0.00 -0.05 0.00 0.00 27.48 27.15 2j5i h GLN 180 CO -0.11 0.88 0.01 -0.22 -0.95 0.00 0.00 178.83 178.44 2j5i h LYS 181 N 1.32 0.43 -0.95 1.46 1.63 -1.82 -1.37 116.57 117.28 2j5i h LYS 181 Ca 0.35 -0.13 0.16 0.00 -0.85 0.00 0.00 60.65 60.18 2j5i h LYS 181 Cb -0.10 -0.04 -0.10 0.00 -0.60 0.00 0.00 32.23 31.39 2j5i h LYS 181 CO -0.07 0.59 0.55 0.00 -3.45 0.00 0.00 179.45 177.07 2j5i h ALA 182 N 0.82 1.50 -0.19 5.00 0.00 -0.80 0.27 119.26 125.85 2j5i h ALA 182 Ca 0.07 0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 2j5i h ALA 182 Cb 0.39 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2j5i h ALA 182 CO 0.01 -0.02 -0.46 0.00 0.00 0.00 0.00 179.25 178.78 2j5i h ALA 183 N 1.60 0.32 -0.82 0.00 0.00 -1.14 -1.23 119.26 117.98 2j5i h ALA 183 Ca 0.52 -0.48 0.03 0.00 0.00 0.00 0.00 54.91 54.98 2j5i h ALA 183 Cb 0.74 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 2j5i h ALA 183 CO -0.36 0.46 0.53 1.49 0.00 0.00 0.00 179.25 181.38 2j5i h GLU 184 N 0.34 1.01 0.00 0.00 4.22 -0.03 -2.39 114.58 117.73 2j5i h GLU 184 Ca -0.00 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.38 2j5i h GLU 184 Cb 1.07 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.09 2j5i h GLU 184 CO 0.10 0.67 0.00 0.52 -2.18 0.00 0.00 179.01 178.12 2j5i h MET 185 N 1.04 0.00 0.00 1.92 2.86 -0.51 -3.47 114.93 116.76 2j5i h MET 185 Ca 0.32 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.96 2j5i h MET 185 Cb -0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.65 2j5i h MET 185 CO -0.11 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.27 2j5i n GLY 186 N 0.24 0.76 0.29 8.32 0.00 -0.90 -4.23 105.19 109.68 2j5i n GLY 186 Ca 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.02 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 0.71 -9.15 0.99 6.46 -1.39 -3.43 115.31 109.50 2j5i h LEU 187 Ca 0.00 -0.14 -0.45 0.00 -0.12 0.00 0.00 57.88 57.17 2j5i h LEU 187 Cb 0.00 -0.19 -0.14 0.00 -0.73 0.00 0.00 40.66 39.60 2j5i h LEU 187 CO 0.00 0.73 -0.61 0.68 -0.62 0.00 0.00 178.44 178.62 2j5i s VAL 188 N -5.11 1.09 0.08 1.05 -7.23 -1.17 -4.91 120.40 104.20 2j5i s VAL 188 Ca -0.09 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 57.95 2j5i s VAL 188 Cb 0.15 -2.75 -0.23 0.00 0.56 0.00 0.00 36.38 34.12 2j5i s VAL 188 CO 0.80 -0.02 1.20 0.78 -0.31 0.00 0.00 175.10 177.55 2j5i h ASN 189 N 2.18 0.87 -5.00 4.85 4.21 -1.06 -3.41 115.58 118.21 2j5i h ASN 189 Ca -0.40 -0.70 -0.06 0.00 1.21 0.00 0.00 56.30 56.35 2j5i h ASN 189 Cb 1.24 -0.27 -0.18 0.00 -1.12 0.00 0.00 38.32 38.00 2j5i h ASN 189 CO 0.68 1.50 0.16 -0.70 -1.29 0.00 0.00 177.43 177.78 2j5i s GLU 190 N -3.31 1.06 -0.03 0.81 2.12 -1.18 -4.98 118.70 113.20 2j5i s GLU 190 Ca -0.09 0.14 0.05 0.00 0.36 0.00 0.00 54.97 55.43 2j5i s GLU 190 Cb 0.07 0.50 -0.01 0.00 0.26 0.00 0.00 34.13 34.95 2j5i s GLU 190 CO 0.92 -0.35 -0.18 0.45 -0.54 0.00 0.00 175.26 175.56 2j5i s SER 191 N -1.39 2.19 0.06 -1.70 0.15 -1.26 -1.19 113.70 110.55 2j5i s SER 191 Ca -0.10 -0.35 -0.05 0.00 0.70 0.00 0.00 55.95 56.16 2j5i s SER 191 Cb -0.00 -0.39 -0.02 0.00 -1.71 0.00 0.00 66.02 63.90 2j5i s SER 191 CO 0.07 0.20 0.07 0.68 1.20 0.00 0.00 173.24 175.46 2j5i s VAL 192 N -0.26 0.18 0.38 4.45 -7.23 -0.42 -4.80 120.40 112.70 2j5i s VAL 192 Ca 0.03 -1.44 -0.27 0.00 -1.81 0.00 0.00 61.98 58.49 2j5i s VAL 192 Cb -0.09 -1.33 -0.11 0.00 0.56 0.00 0.00 36.38 35.41 2j5i s VAL 192 CO 0.00 -0.80 1.24 -2.65 -0.31 0.00 0.00 175.10 172.59 2j5i n PRO 193 N 0.18 1.94 -0.36 4.82 -0.02 -1.26 -0.07 135.00 140.22 2j5i n PRO 193 Ca -0.15 0.68 0.27 0.00 -2.02 0.00 0.00 63.50 62.28 2j5i n PRO 193 Cb 0.61 -2.29 0.53 0.00 -0.02 0.00 0.00 33.50 32.33 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 2.24 0.43 -2.35 2.45 5.85 -1.91 0.80 115.31 122.83 2j5i h LEU 194 Ca -0.46 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.38 2j5i h LEU 194 Cb 1.30 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.40 2j5i h LEU 194 CO 0.61 -0.05 -0.04 0.00 -0.34 0.00 0.00 178.44 178.62 2j5i h ALA 195 N 1.69 1.39 -0.10 1.25 0.00 -2.02 -2.38 119.26 119.09 2j5i h ALA 195 Ca 0.70 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.58 2j5i h ALA 195 Cb 1.82 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.61 2j5i h ALA 195 CO -0.43 0.05 0.00 1.04 0.00 0.00 0.00 179.25 179.91 2j5i n GLN 196 N -3.69 1.66 -0.20 0.00 6.02 0.26 -4.72 117.38 116.72 2j5i n GLN 196 Ca -0.03 -1.68 -0.09 0.00 -0.01 0.00 0.00 57.00 55.19 2j5i n GLN 196 Cb 0.13 -1.35 0.02 0.00 1.02 0.00 0.00 30.24 30.05 2j5i n GLN 196 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2j5i h LEU 197 N 3.46 0.95 -0.37 1.08 5.85 -1.22 -1.63 115.31 123.45 2j5i h LEU 197 Ca 0.00 -0.30 -0.18 0.00 0.84 0.00 0.00 57.88 58.24 2j5i h LEU 197 Cb 0.76 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.53 2j5i h LEU 197 CO 0.00 1.01 -0.56 -0.09 -0.34 0.00 0.00 178.44 178.47 2j5i h ARG 198 N 0.86 0.77 0.19 1.25 2.43 -1.85 -1.95 114.38 116.08 2j5i h ARG 198 Ca 0.16 -0.49 -0.01 0.00 -0.81 0.00 0.00 59.98 58.83 2j5i h ARG 198 Cb 0.51 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 2j5i h ARG 198 CO 0.02 1.12 -0.09 0.93 -1.51 0.00 0.00 179.97 180.44 2j5i h GLU 199 N 0.59 -0.24 -0.73 0.20 5.08 -1.82 -2.00 114.58 115.65 2j5i h GLU 199 Ca 0.01 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2j5i h GLU 199 Cb 1.14 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.41 2j5i h GLU 199 CO 0.12 -0.03 0.40 0.28 -1.00 0.00 0.00 179.01 178.78 2j5i h VAL 200 N -0.43 1.22 -0.45 3.13 2.07 -1.30 -1.01 116.25 119.47 2j5i h VAL 200 Ca -0.03 -0.55 -0.10 0.00 0.82 0.00 0.00 66.70 66.85 2j5i h VAL 200 Cb 0.33 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 2j5i h VAL 200 CO 0.04 0.24 -0.11 0.74 0.02 0.00 0.00 177.57 178.51 2j5i h THR 201 N 1.02 1.27 -0.18 2.57 2.02 -1.33 -2.34 112.91 115.95 2j5i h THR 201 Ca 0.26 -1.22 -0.11 0.00 0.77 0.00 0.00 66.41 66.11 2j5i h THR 201 Cb 0.03 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 2j5i h THR 201 CO -0.04 0.42 -0.35 0.40 0.37 0.00 0.00 175.52 176.32 2j5i h ILE 202 N 0.71 1.29 -0.43 3.11 2.04 -0.86 0.36 117.51 123.72 2j5i h ILE 202 Ca 0.12 -1.42 -0.10 0.00 1.00 0.00 0.00 64.86 64.45 2j5i h ILE 202 Cb 0.65 1.53 -0.02 0.00 -0.74 0.00 0.00 36.82 38.24 2j5i h ILE 202 CO 0.04 0.44 -0.13 -0.33 0.00 0.00 0.00 178.15 178.17 2j5i h GLU 203 N 0.33 0.78 -0.09 2.37 5.08 -1.04 0.14 114.58 122.16 2j5i h GLU 203 Ca 0.04 -0.27 -0.04 0.00 -1.00 0.00 0.00 59.36 58.09 2j5i h GLU 203 Cb 0.77 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 2j5i h GLU 203 CO 0.06 0.88 -0.08 1.25 -1.00 0.00 0.00 179.01 180.11 2j5i h LEU 204 N 0.70 0.22 -0.73 1.33 5.85 -1.07 -2.75 115.31 118.87 2j5i h LEU 204 Ca 0.11 -0.48 0.08 0.00 0.84 0.00 0.00 57.88 58.43 2j5i h LEU 204 Cb 0.62 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.52 2j5i h LEU 204 CO 0.04 0.66 0.40 0.00 -0.34 0.00 0.00 178.44 179.20 2j5i h ALA 205 N 0.57 1.00 -0.61 1.25 0.00 -0.82 -1.21 119.26 119.44 2j5i h ALA 205 Ca 0.01 0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.08 2j5i h ALA 205 Cb 0.59 -0.11 -0.10 0.00 0.00 0.00 0.00 17.79 18.18 2j5i h ALA 205 CO 0.02 0.05 0.07 0.00 0.00 0.00 0.00 179.25 179.39 2j5i h ARG 206 N 0.70 0.19 -0.56 0.00 3.08 -0.68 -0.75 114.38 116.37 2j5i h ARG 206 Ca 0.34 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.33 2j5i h ARG 206 Cb 0.28 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 2j5i h ARG 206 CO -0.22 0.12 0.14 -0.97 -1.07 0.00 0.00 179.97 177.98 2j5i h ASN 207 N 0.19 0.84 -0.02 7.04 -1.24 -0.95 -2.53 115.58 118.91 2j5i h ASN 207 Ca 0.32 -0.23 -0.10 0.00 0.71 0.00 0.00 56.30 57.00 2j5i h ASN 207 Cb 0.51 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 39.33 2j5i h ASN 207 CO -0.46 0.85 -0.30 -0.07 -1.29 0.00 0.00 177.43 176.15 2j5i h LEU 208 N 0.79 0.48 -2.08 0.34 3.38 -0.72 -2.59 115.31 114.91 2j5i h LEU 208 Ca 0.18 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2j5i h LEU 208 Cb 0.33 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 2j5i h LEU 208 CO 0.00 0.76 -0.06 -0.07 0.09 0.00 0.00 178.44 179.16 2j5i h LEU 209 N 0.41 0.00 -1.08 1.67 3.38 -0.73 -2.08 115.31 116.89 2j5i h LEU 209 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2j5i h LEU 209 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2j5i h LEU 209 CO 0.06 0.06 0.00 -0.33 0.09 0.00 0.00 178.44 178.32 2j5i h GLU 210 N 0.00 0.00 -6.71 1.13 5.08 -1.25 -3.45 114.58 109.38 2j5i h GLU 210 Ca -0.00 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.86 2j5i h GLU 210 Cb 0.29 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 2j5i h GLU 210 CO 0.01 0.00 0.03 0.15 -1.00 0.00 0.00 179.01 178.20 2j5i s LYS 211 N -3.47 3.76 0.04 2.33 -0.14 -0.78 -5.02 119.74 116.46 2j5i s LYS 211 Ca 0.02 0.35 -0.30 0.00 -1.36 0.00 0.00 55.97 54.68 2j5i s LYS 211 Cb 0.09 -2.48 -0.08 0.00 -1.68 0.00 0.00 37.83 33.68 2j5i s LYS 211 CO 0.41 0.08 1.72 1.21 -0.76 0.00 0.00 175.35 178.01 2j5i s ASN 212 N -3.01 6.58 0.26 2.83 3.84 -1.26 -4.91 114.94 119.27 2j5i s ASN 212 Ca 0.49 2.48 -0.04 0.00 0.21 0.00 0.00 52.86 56.00 2j5i s ASN 212 Cb -0.10 -2.55 0.36 0.00 -0.55 0.00 0.00 41.25 38.40 2j5i s ASN 212 CO 0.29 -0.94 1.90 -0.65 -2.79 0.00 0.00 177.10 174.91 2j5i h PRO 213 N 9.06 1.20 -0.16 0.43 0.11 -1.93 0.72 132.00 141.43 2j5i h PRO 213 Ca -0.43 -0.07 -0.16 0.00 0.11 0.00 0.00 66.00 65.44 2j5i h PRO 213 Cb 1.20 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 2j5i h PRO 213 CO 0.94 0.79 -0.59 0.28 -0.21 0.00 0.00 178.00 179.21 2j5i h VAL 214 N 1.23 1.33 -0.16 3.15 2.07 -1.92 -1.13 116.25 120.83 2j5i h VAL 214 Ca 0.41 -1.87 -0.12 0.00 0.82 0.00 0.00 66.70 65.95 2j5i h VAL 214 Cb 0.06 1.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 2j5i h VAL 214 CO -0.14 0.57 -0.37 0.58 0.02 0.00 0.00 177.57 178.23 2j5i h VAL 215 N 0.38 1.35 -0.71 2.57 2.07 -1.75 -1.66 116.25 118.51 2j5i h VAL 215 Ca -0.00 -1.64 -0.01 0.00 0.82 0.00 0.00 66.70 65.87 2j5i h VAL 215 Cb 1.13 1.99 -0.03 0.00 -1.52 0.00 0.00 31.29 32.86 2j5i h VAL 215 CO 0.11 0.50 0.40 0.25 0.02 0.00 0.00 177.57 178.85 2j5i h LEU 216 N 0.16 0.87 -0.11 2.57 6.46 -0.84 -0.54 115.31 123.88 2j5i h LEU 216 Ca -0.00 -0.08 0.03 0.00 -0.12 0.00 0.00 57.88 57.71 2j5i h LEU 216 Cb 0.98 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 40.65 2j5i h LEU 216 CO 0.08 0.70 -0.09 -0.09 -0.62 0.00 0.00 178.44 178.43 2j5i h ARG 217 N 0.97 -0.10 -0.70 1.25 2.43 -1.16 -0.99 114.38 116.08 2j5i h ARG 217 Ca 0.25 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.49 2j5i h ARG 217 Cb 0.01 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.53 2j5i h ARG 217 CO -0.04 -0.06 0.40 0.00 -1.51 0.00 0.00 179.97 178.75 2j5i h ALA 218 N 0.98 0.95 -0.10 2.80 0.00 -1.00 -0.89 119.26 122.01 2j5i h ALA 218 Ca 0.07 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2j5i h ALA 218 Cb 0.20 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2j5i h ALA 218 CO -0.17 0.08 0.02 0.00 0.00 0.00 0.00 179.25 179.18 2j5i h ALA 219 N 1.37 0.13 0.53 0.00 0.00 -0.86 -1.30 119.26 119.13 2j5i h ALA 219 Ca 0.32 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2j5i h ALA 219 Cb 0.20 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2j5i h ALA 219 CO -0.19 -0.23 -0.46 -0.22 0.00 0.00 0.00 179.25 178.16 2j5i h LYS 220 N -0.06 -0.94 -0.42 0.00 3.64 -1.11 -2.19 116.57 115.49 2j5i h LYS 220 Ca 0.03 0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 2j5i h LYS 220 Cb 0.28 0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 2j5i h LYS 220 CO 0.00 -0.63 0.15 0.45 -2.27 0.00 0.00 179.45 177.15 2j5i h HIS 221 N -0.98 0.65 -0.44 1.91 3.86 -1.24 -2.39 115.15 116.52 2j5i h HIS 221 Ca -0.06 -0.06 0.02 0.00 -1.16 0.00 0.00 60.37 59.11 2j5i h HIS 221 Cb 0.84 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 29.08 2j5i h HIS 221 CO -0.20 0.59 0.25 0.78 0.86 0.00 0.00 177.93 180.21 2j5i h GLY 222 N 0.53 0.62 0.95 2.45 0.00 -1.23 -1.48 103.07 104.90 2j5i h GLY 222 Ca 0.14 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 2j5i h GLY 222 CO -0.01 0.15 0.15 -2.75 0.00 0.00 0.00 176.54 174.08 2j5i h PHE 223 N 0.50 0.37 -0.76 5.60 3.04 -1.23 0.15 116.94 124.61 2j5i h PHE 223 Ca 0.18 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.09 2j5i h PHE 223 Cb 0.04 -0.12 -0.03 0.00 2.56 0.00 0.00 35.95 38.40 2j5i h PHE 223 CO -0.08 0.32 0.34 0.87 -2.02 0.00 0.00 178.31 177.73 2j5i h LYS 224 N 0.32 1.10 -0.10 1.11 1.57 -1.08 -2.67 116.57 116.82 2j5i h LYS 224 Ca 0.09 -0.17 -0.23 0.00 -1.87 0.00 0.00 60.65 58.48 2j5i h LYS 224 Cb 0.07 -0.19 0.01 0.00 0.08 0.00 0.00 32.23 32.20 2j5i h LYS 224 CO -0.01 0.87 -0.83 -0.09 -0.57 0.00 0.00 179.45 178.81 2j5i h ARG 225 N 1.08 0.68 0.00 3.15 9.65 -1.16 -3.21 114.38 124.58 2j5i h ARG 225 Ca 0.26 -0.60 -0.00 0.00 -1.10 0.00 0.00 59.98 58.54 2j5i h ARG 225 Cb 0.15 0.14 -0.00 0.00 -1.39 0.00 0.00 29.97 28.87 2j5i h ARG 225 CO -0.03 1.21 -0.01 0.00 2.80 0.00 0.00 179.97 183.94 2j5i h ARG 227 N 0.00 0.00 0.00 0.00 3.08 -1.54 -2.10 114.38 113.82 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 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 2j5i h ARG 227 CO 0.00 0.14 -0.47 0.39 -1.07 0.00 0.00 179.97 178.97 2j5i n GLU 228 N -3.95 0.06 -4.29 0.04 1.02 -0.42 -4.94 120.64 108.17 2j5i n GLU 228 Ca -0.02 0.02 -0.30 0.00 -0.02 0.00 0.00 57.16 56.84 2j5i n GLU 228 Cb 0.23 -1.54 -0.11 0.00 -0.02 0.00 0.00 31.44 30.01 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 -3.24 2.83 1.02 -4.62 1.02 -0.79 -5.13 118.68 109.76 2j5i s LEU 229 Ca 0.10 -0.49 -0.12 0.00 0.02 0.00 0.00 54.13 53.64 2j5i s LEU 229 Cb 0.17 -1.65 0.20 0.00 0.02 0.00 0.00 46.19 44.93 2j5i s LEU 229 CO 0.68 0.18 1.09 0.42 0.02 0.00 0.00 176.35 178.74 2j5i s THR 230 N -1.16 2.07 0.21 5.49 -4.23 -1.26 -4.80 115.64 111.95 2j5i s THR 230 Ca 0.19 0.02 -0.09 0.00 -1.18 0.00 0.00 61.69 60.63 2j5i s THR 230 Cb -0.11 -2.46 0.16 0.00 1.34 0.00 0.00 72.50 71.43 2j5i s THR 230 CO 0.11 -0.03 1.84 -0.50 -0.54 0.00 0.00 174.62 175.50 2j5i h TRP 231 N -1.99 1.06 -0.43 3.99 4.06 -1.98 -0.07 115.95 120.59 2j5i h TRP 231 Ca -0.55 -0.02 -0.14 0.00 2.06 0.00 0.00 58.89 60.24 2j5i h TRP 231 Cb 1.33 -0.34 -0.01 0.00 -1.00 0.00 0.00 29.16 29.14 2j5i h TRP 231 CO 0.29 0.73 -0.29 0.93 -3.56 0.00 0.00 178.44 176.54 2j5i h GLU 232 N 1.08 0.95 -0.76 0.49 3.07 -2.01 -0.83 114.58 116.57 2j5i h GLU 232 Ca 0.28 -0.44 -0.03 0.00 -0.50 0.00 0.00 59.36 58.67 2j5i h GLU 232 Cb 0.01 -0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 27.87 2j5i h GLU 232 CO -0.05 1.11 0.37 1.96 -1.40 0.00 0.00 179.01 181.01 2j5i h GLN 233 N 0.80 1.09 0.00 2.33 4.20 -1.90 -2.88 115.11 118.76 2j5i h GLN 233 Ca 0.09 -0.15 -0.08 0.00 0.06 0.00 0.00 58.65 58.57 2j5i h GLN 233 Cb 0.87 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.44 2j5i h GLN 233 CO 0.08 0.83 -0.40 -0.91 -0.67 0.00 0.00 178.83 177.76 2j5i h ASN 234 N 1.08 0.00 -0.55 1.46 2.35 -0.33 -1.29 115.58 118.31 2j5i h ASN 234 Ca 0.26 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 56.06 2j5i h ASN 234 Cb 0.10 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.42 2j5i h ASN 234 CO -0.04 0.40 0.30 -0.08 -1.65 0.00 0.00 177.43 176.36 2j5i h GLU 235 N 0.00 0.56 0.30 0.81 4.81 -0.94 0.41 114.58 120.52 2j5i h GLU 235 Ca -0.00 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 2j5i h GLU 235 Cb 0.89 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.15 2j5i h GLU 235 CO 0.05 0.37 -0.14 0.22 -0.73 0.00 0.00 179.01 178.78 2j5i h ASP 236 N 0.57 -0.34 -0.31 1.04 1.82 -1.53 -2.90 116.42 114.77 2j5i h ASP 236 Ca 0.24 -0.19 -0.00 0.00 -0.39 0.00 0.00 57.03 56.68 2j5i h ASP 236 Cb 0.11 0.09 -0.01 0.00 0.68 0.00 0.00 39.33 40.20 2j5i h ASP 236 CO -0.15 0.06 0.19 0.22 -1.61 0.00 0.00 179.24 177.95 2j5i h TYR 237 N -0.80 0.40 -0.19 0.28 5.03 -1.09 -1.40 116.97 119.20 2j5i h TYR 237 Ca -0.04 0.00 -0.19 0.00 2.58 0.00 0.00 58.73 61.08 2j5i h TYR 237 Cb 0.51 -0.13 0.00 0.00 1.55 0.00 0.00 36.73 38.66 2j5i h TYR 237 CO 0.03 0.28 -0.65 -0.07 -1.32 0.00 0.00 178.16 176.43 2j5i h LEU 238 N 0.40 0.81 -1.24 2.82 3.38 -0.27 -0.26 115.31 120.94 2j5i h LEU 238 Ca 0.11 -0.48 -0.06 0.00 0.09 0.00 0.00 57.88 57.54 2j5i h LEU 238 Cb -0.01 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 2j5i h LEU 238 CO -0.02 1.25 -0.17 1.88 0.09 0.00 0.00 178.44 181.46 2j5i h TYR 239 N 0.51 0.32 -0.41 1.13 0.99 -1.50 -1.04 116.97 116.98 2j5i h TYR 239 Ca -0.02 -0.05 -0.10 0.00 2.00 0.00 0.00 58.73 60.57 2j5i h TYR 239 Cb 1.25 -0.09 -0.02 0.00 1.00 0.00 0.00 36.73 38.87 2j5i h TYR 239 CO 0.07 0.47 -0.14 0.00 -0.00 0.00 0.00 178.16 178.56 2j5i h ALA 240 N 1.54 0.99 -0.28 3.88 0.00 -0.33 -0.56 119.26 124.50 2j5i h ALA 240 Ca 0.05 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.55 2j5i h ALA 240 Cb 0.48 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2j5i h ALA 240 CO 0.03 0.60 -0.20 0.87 0.00 0.00 0.00 179.25 180.55 2j5i h LYS 241 N 0.67 0.52 -0.30 0.00 1.79 -0.82 0.80 116.57 119.23 2j5i h LYS 241 Ca 0.11 -0.18 -0.05 0.00 -2.18 0.00 0.00 60.65 58.35 2j5i h LYS 241 Cb 0.61 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.21 2j5i h LYS 241 CO 0.04 0.69 -0.02 1.25 -1.08 0.00 0.00 179.45 180.32 2j5i h LEU 242 N 0.46 0.54 -0.43 2.94 7.12 -0.85 -0.91 115.31 124.20 2j5i h LEU 242 Ca 0.08 -0.33 -0.18 0.00 0.13 0.00 0.00 57.88 57.58 2j5i h LEU 242 Cb 0.60 -0.15 -0.00 0.00 -0.53 0.00 0.00 40.66 40.58 2j5i h LEU 242 CO 0.04 0.74 -0.64 0.44 -0.13 0.00 0.00 178.44 178.90 2j5i h ASP 243 N 0.33 0.62 -0.78 1.25 3.32 -0.92 -2.09 116.42 118.16 2j5i h ASP 243 Ca 0.08 -0.37 0.04 0.00 0.02 0.00 0.00 57.03 56.81 2j5i h ASP 243 Cb 0.48 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 39.80 2j5i h ASP 243 CO 0.02 1.10 0.48 -0.61 -1.72 0.00 0.00 179.24 178.52 2j5i h GLN 244 N 0.40 0.89 -0.81 3.56 4.15 -0.78 -1.21 115.11 121.31 2j5i h GLN 244 Ca -0.01 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.33 2j5i h GLN 244 Cb 1.21 -0.20 -0.04 0.00 0.21 0.00 0.00 27.48 28.66 2j5i h GLN 244 CO 0.12 0.59 0.39 0.66 -1.93 0.00 0.00 178.83 178.66 2j5i h SER 245 N 0.91 1.05 -0.49 -0.69 4.64 -0.90 -1.88 113.55 116.19 2j5i h SER 245 Ca 0.33 -0.13 -0.06 0.00 -0.47 0.00 0.00 61.79 61.46 2j5i h SER 245 Cb 0.09 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 61.88 2j5i h SER 245 CO -0.14 0.89 0.11 0.03 -0.87 0.00 0.00 176.83 176.84 2j5i h ARG 246 N 1.14 0.86 -0.22 4.77 3.08 -0.89 -1.31 114.38 121.80 2j5i h ARG 246 Ca 0.28 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 2j5i h ARG 246 Cb 0.11 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 2j5i h ARG 246 CO -0.04 0.79 0.02 1.25 -1.07 0.00 0.00 179.97 180.93 2j5i h LEU 247 N 0.82 0.37 0.00 3.04 5.85 -0.83 -3.31 115.31 121.24 2j5i h LEU 247 Ca 0.18 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.62 2j5i h LEU 247 Cb 0.34 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.27 2j5i h LEU 247 CO 0.00 0.55 -0.58 0.18 -0.34 0.00 0.00 178.44 178.26 2j5i n LEU 248 N -4.70 0.61 0.00 2.25 4.77 -0.74 -5.12 117.00 114.07 2j5i n LEU 248 Ca -0.04 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 2j5i n LEU 248 Cb 0.21 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2j5i n LEU 248 CO 0.37 0.00 0.00 0.47 -1.33 0.00 0.00 177.39 176.90