#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j5i n TYR 4 N 0.00 0.40 -1.64 1.09 4.01 -1.26 -4.77 117.16 114.99 2j5i n TYR 4 Ca 0.00 0.12 -0.49 0.00 -0.16 0.00 0.00 57.90 57.36 2j5i n TYR 4 Cb 0.00 -0.59 -0.05 0.00 -0.31 0.00 0.00 39.34 38.39 2j5i n TYR 4 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2j5i n GLU 5 N -2.22 1.66 -1.39 -0.72 -0.58 -1.26 -1.72 120.64 114.42 2j5i n GLU 5 Ca 0.00 0.60 -0.14 0.00 -0.42 0.00 0.00 57.16 57.20 2j5i n GLU 5 Cb 0.49 -2.32 -0.06 0.00 -0.57 0.00 0.00 31.44 28.98 2j5i n GLU 5 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2j5i n GLY 6 N 3.17 1.37 0.15 0.62 0.00 -1.26 -4.87 105.19 104.37 2j5i n GLY 6 Ca 0.19 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.05 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 0.42 -6.67 1.61 2.43 -1.63 -3.45 114.38 107.08 2j5i h ARG 7 Ca -0.29 -0.51 -0.66 0.00 -0.81 0.00 0.00 59.98 57.71 2j5i h ARG 7 Cb 1.10 0.16 -0.20 0.00 -0.42 0.00 0.00 29.97 30.61 2j5i h ARG 7 CO 0.43 1.18 -0.84 -1.58 -1.51 0.00 0.00 179.97 177.65 2j5i s TRP 8 N -3.10 2.25 0.09 2.20 0.51 -1.26 -5.04 118.94 114.58 2j5i s TRP 8 Ca -0.06 -0.38 -0.14 0.00 -2.12 0.00 0.00 56.10 53.41 2j5i s TRP 8 Cb 0.08 -1.16 -0.18 0.00 -0.81 0.00 0.00 33.47 31.40 2j5i s TRP 8 CO 0.88 0.41 1.27 0.87 -0.51 0.00 0.00 176.95 179.87 2j5i h LYS 9 N 3.54 0.75 -0.01 4.98 1.57 -1.97 -3.39 116.57 122.05 2j5i h LYS 9 Ca -0.48 -0.66 0.00 0.00 -1.87 0.00 0.00 60.65 57.64 2j5i h LYS 9 Cb 1.19 0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.65 2j5i h LYS 9 CO 0.44 1.26 -0.01 0.25 -0.57 0.00 0.00 179.45 180.82 2j5i n THR 10 N -3.95 0.00 -3.91 -0.16 -2.24 -1.26 -4.93 114.28 97.82 2j5i n THR 10 Ca -0.08 -0.50 -0.11 0.00 -2.27 0.00 0.00 64.05 61.09 2j5i n THR 10 Cb 0.76 1.11 -0.12 0.00 -2.10 0.00 0.00 70.33 69.98 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 -0.49 0.05 0.05 2.28 1.01 -1.26 0.10 120.40 122.14 2j5i s VAL 11 Ca 0.06 -0.40 0.09 0.00 0.00 0.00 0.00 61.98 61.74 2j5i s VAL 11 Cb 0.05 -0.15 -0.03 0.00 0.00 0.00 0.00 36.38 36.25 2j5i s VAL 11 CO 0.07 -0.22 -0.26 -0.54 0.00 0.00 0.00 175.10 174.15 2j5i s LYS 12 N -0.65 1.78 -0.12 2.72 1.02 -0.33 -4.23 119.74 119.94 2j5i s LYS 12 Ca -0.07 -1.12 0.02 0.00 0.02 0.00 0.00 55.97 54.81 2j5i s LYS 12 Cb -0.04 -1.98 0.01 0.00 -0.52 0.00 0.00 37.83 35.30 2j5i s LYS 12 CO -0.00 0.51 -0.18 0.08 -0.92 0.00 0.00 175.35 174.83 2j5i s VAL 13 N -0.83 1.74 -0.17 3.17 1.01 -1.26 -0.17 120.40 123.90 2j5i s VAL 13 Ca 0.12 -0.79 -0.00 0.00 0.00 0.00 0.00 61.98 61.31 2j5i s VAL 13 Cb -0.10 -1.57 0.04 0.00 0.00 0.00 0.00 36.38 34.75 2j5i s VAL 13 CO 0.02 0.49 -0.06 -1.61 0.00 0.00 0.00 175.10 173.95 2j5i s GLU 14 N 0.92 1.48 -0.15 2.72 2.02 -0.06 -4.74 118.70 120.90 2j5i s GLU 14 Ca -0.07 -0.56 -0.02 0.00 0.02 0.00 0.00 54.97 54.34 2j5i s GLU 14 Cb -0.15 -2.07 -0.02 0.00 0.10 0.00 0.00 34.13 31.99 2j5i s GLU 14 CO -0.02 -0.44 -0.08 0.42 0.02 0.00 0.00 175.26 175.16 2j5i s ILE 15 N 1.61 3.50 -0.07 -1.63 1.01 -1.26 -0.77 121.20 123.59 2j5i s ILE 15 Ca 0.00 -0.50 -0.04 0.00 0.00 0.00 0.00 60.65 60.12 2j5i s ILE 15 Cb -0.15 -2.51 0.03 0.00 0.01 0.00 0.00 42.46 39.84 2j5i s ILE 15 CO -0.08 0.51 0.16 -1.83 0.00 0.00 0.00 174.94 173.69 2j5i s GLU 16 N 0.38 0.12 -1.48 2.79 -1.05 -0.46 -4.91 118.70 114.09 2j5i s GLU 16 Ca -0.07 0.34 -0.12 0.00 -0.15 0.00 0.00 54.97 54.98 2j5i s GLU 16 Cb -0.15 -0.10 0.07 0.00 -0.44 0.00 0.00 34.13 33.51 2j5i s GLU 16 CO 0.04 -0.13 0.85 -0.25 0.95 0.00 0.00 175.26 176.72 2j5i n ASP 17 N 3.89 -4.87 0.00 0.83 8.00 -1.26 -0.39 116.55 122.74 2j5i n ASP 17 Ca -0.23 -0.63 0.00 0.00 0.71 0.00 0.00 54.79 54.65 2j5i n ASP 17 Cb 0.54 -3.91 0.00 0.00 -0.02 0.00 0.00 41.12 37.73 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 -1.59 1.43 3.44 0.44 0.00 -1.25 -4.99 105.19 102.68 2j5i n GLY 18 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.96 4.74 -0.54 -0.61 1.01 0.48 -0.39 121.20 122.93 2j5i s ILE 19 Ca 0.00 -0.50 -0.20 0.00 0.00 0.00 0.00 60.65 59.95 2j5i s ILE 19 Cb 0.00 -3.49 0.06 0.00 0.01 0.00 0.00 42.46 39.05 2j5i s ILE 19 CO 0.00 -0.04 0.71 0.00 0.00 0.00 0.00 174.94 175.61 2j5i s ALA 20 N 1.62 3.33 -0.23 9.38 0.00 0.01 -1.36 121.76 134.51 2j5i s ALA 20 Ca 0.04 -1.73 -0.29 0.00 0.00 0.00 0.00 51.96 49.98 2j5i s ALA 20 Cb -0.18 -3.47 0.01 0.00 0.00 0.00 0.00 23.12 19.48 2j5i s ALA 20 CO 0.07 -2.17 1.06 -0.06 0.00 0.00 0.00 175.76 174.67 2j5i s PHE 21 N 2.95 3.28 -0.35 0.00 0.40 0.05 -0.63 117.98 123.69 2j5i s PHE 21 Ca 0.18 1.41 -0.09 0.00 -0.60 0.00 0.00 56.93 57.83 2j5i s PHE 21 Cb -0.19 -3.32 0.03 0.00 0.51 0.00 0.00 43.02 40.05 2j5i s PHE 21 CO 0.12 -0.61 0.15 0.08 0.70 0.00 0.00 175.22 175.67 2j5i s VAL 22 N 3.26 4.24 -0.30 -0.44 1.01 0.66 -0.88 120.40 127.95 2j5i s VAL 22 Ca 0.45 -0.91 -0.07 0.00 0.00 0.00 0.00 61.98 61.45 2j5i s VAL 22 Cb -0.15 -3.35 0.01 0.00 0.00 0.00 0.00 36.38 32.89 2j5i s VAL 22 CO 0.07 -0.16 0.08 -0.63 0.00 0.00 0.00 175.10 174.46 2j5i s ILE 23 N 1.50 3.92 0.22 2.22 1.01 0.76 -0.90 121.20 129.93 2j5i s ILE 23 Ca 0.01 -0.74 -0.31 0.00 0.00 0.00 0.00 60.65 59.61 2j5i s ILE 23 Cb -0.19 -3.04 -0.10 0.00 0.01 0.00 0.00 42.46 39.14 2j5i s ILE 23 CO 0.05 0.06 1.50 -0.76 0.00 0.00 0.00 174.94 175.78 2j5i s LEU 24 N 1.49 4.38 -0.40 2.97 1.43 0.23 -1.18 118.68 127.59 2j5i s LEU 24 Ca 0.02 2.66 0.08 0.00 -1.03 0.00 0.00 54.13 55.87 2j5i s LEU 24 Cb -0.17 -3.61 0.27 0.00 0.03 0.00 0.00 46.19 42.70 2j5i s LEU 24 CO 0.02 -0.76 0.57 -3.20 0.23 0.00 0.00 176.35 173.21 2j5i n ASN 25 N 2.97 0.51 -3.12 2.29 4.05 0.12 -0.46 115.26 121.61 2j5i n ASN 25 Ca 0.10 -2.79 -0.22 0.00 0.45 0.00 0.00 54.58 52.12 2j5i n ASN 25 Cb 0.39 -0.64 -0.04 0.00 1.23 0.00 0.00 39.78 40.73 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 1.18 1.73 0.20 1.20 1.74 -1.26 -4.49 116.66 116.97 2j5i n ARG 26 Ca 0.22 -3.89 0.04 0.00 -0.77 0.00 0.00 57.85 53.45 2j5i n ARG 26 Cb 0.54 -1.86 0.41 0.00 -1.02 0.00 0.00 32.46 30.53 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 3.12 0.00 -1.05 5.56 0.13 -1.88 0.12 132.00 138.00 2j5i h PRO 27 Ca 0.11 0.00 0.40 0.00 -0.87 0.00 0.00 66.00 65.65 2j5i h PRO 27 Cb 0.80 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 31.78 2j5i h PRO 27 CO 0.61 0.31 0.61 -0.85 -0.23 0.00 0.00 178.00 178.45 2j5i n GLU 28 N -4.14 -0.05 -0.27 0.86 0.28 -1.26 -1.41 120.64 114.65 2j5i n GLU 28 Ca -0.02 1.22 0.08 0.00 -0.16 0.00 0.00 57.16 58.28 2j5i n GLU 28 Cb 0.35 -2.27 0.16 0.00 1.43 0.00 0.00 31.44 31.12 2j5i n GLU 28 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2j5i n LYS 29 N -4.87 1.35 -3.56 3.44 5.02 0.19 -4.96 118.16 114.77 2j5i n LYS 29 Ca 0.36 -2.79 -0.26 0.00 -2.02 0.00 0.00 58.31 53.60 2j5i n LYS 29 Cb 1.28 -1.51 0.04 0.00 -0.02 0.00 0.00 35.03 34.82 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 -1.28 -5.84 -3.17 1.97 1.74 -0.50 -2.10 116.66 107.48 2j5i n ARG 30 Ca 0.17 0.72 -0.23 0.00 -0.77 0.00 0.00 57.85 57.74 2j5i n ARG 30 Cb 0.66 -5.63 0.02 0.00 -1.02 0.00 0.00 32.46 26.49 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 -2.75 -5.01 -4.68 0.55 3.02 0.04 -0.85 115.26 105.59 2j5i n ASN 31 Ca -0.01 -0.32 -0.44 0.00 -0.03 0.00 0.00 54.58 53.78 2j5i n ASN 31 Cb 0.56 -4.08 -0.02 0.00 -0.61 0.00 0.00 39.78 35.63 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 -3.53 1.06 -2.79 5.41 0.00 -0.89 -4.40 120.51 115.37 2j5i n ALA 32 Ca -0.07 0.38 -0.43 0.00 0.00 0.00 0.00 53.44 53.33 2j5i n ALA 32 Cb 0.58 -2.24 -0.03 0.00 0.00 0.00 0.00 19.45 17.77 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 -1.27 3.39 0.61 0.00 1.00 0.78 -4.68 119.30 119.13 2j5i s MET 33 Ca 0.61 -1.17 -0.06 0.00 0.00 0.00 0.00 55.69 55.07 2j5i s MET 33 Cb -0.61 -4.69 0.02 0.00 0.00 0.00 0.00 34.83 29.54 2j5i s MET 33 CO 0.57 -1.91 0.92 -1.54 0.00 0.00 0.00 175.02 173.06 2j5i s SER 34 N 3.92 5.44 0.34 3.03 1.04 -1.26 -2.69 113.70 123.52 2j5i s SER 34 Ca 0.32 0.67 0.04 0.00 0.48 0.00 0.00 55.95 57.45 2j5i s SER 34 Cb -0.08 -1.59 0.65 0.00 0.10 0.00 0.00 66.02 65.09 2j5i s SER 34 CO -0.00 -1.17 1.94 -0.65 0.98 0.00 0.00 173.24 174.34 2j5i h PRO 35 N -0.26 0.85 -0.18 4.02 0.11 -1.91 -0.68 132.00 133.95 2j5i h PRO 35 Ca -0.45 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.63 2j5i h PRO 35 Cb 1.27 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 2j5i h PRO 35 CO 0.61 0.56 0.04 1.15 -0.21 0.00 0.00 178.00 180.15 2j5i h THR 36 N 0.88 0.93 -0.68 -1.15 2.02 -1.99 -1.64 112.91 111.27 2j5i h THR 36 Ca 0.34 -0.04 0.06 0.00 0.77 0.00 0.00 66.41 67.54 2j5i h THR 36 Cb 0.22 0.80 -0.06 0.00 -1.74 0.00 0.00 68.15 67.38 2j5i h THR 36 CO -0.12 0.02 0.37 0.25 0.37 0.00 0.00 175.52 176.42 2j5i h LEU 37 N 0.12 0.55 -0.49 2.58 6.46 -1.74 -0.46 115.31 122.33 2j5i h LEU 37 Ca 0.08 0.03 0.01 0.00 -0.12 0.00 0.00 57.88 57.88 2j5i h LEU 37 Cb 0.07 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 39.90 2j5i h LEU 37 CO -0.10 0.35 0.32 0.78 -0.62 0.00 0.00 178.44 179.18 2j5i h ASN 38 N 0.69 0.56 -0.60 1.25 2.35 -0.84 0.14 115.58 119.12 2j5i h ASN 38 Ca 0.31 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.99 2j5i h ASN 38 Cb 0.20 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 2j5i h ASN 38 CO -0.19 0.40 0.16 0.03 -1.65 0.00 0.00 177.43 176.18 2j5i h ARG 39 N 0.66 0.95 -0.68 0.81 3.08 -1.00 -1.91 114.38 116.29 2j5i h ARG 39 Ca 0.18 -0.22 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 2j5i h ARG 39 Cb -0.07 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 29.82 2j5i h ARG 39 CO -0.04 0.87 0.17 0.93 -1.07 0.00 0.00 179.97 180.83 2j5i h GLU 40 N 0.86 1.09 -0.26 0.04 5.08 -0.73 -2.77 114.58 117.89 2j5i h GLU 40 Ca 0.19 -0.26 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 2j5i h GLU 40 Cb 0.34 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2j5i h GLU 40 CO 0.00 0.96 -0.10 0.52 -1.00 0.00 0.00 179.01 179.39 2j5i h MET 41 N 1.02 0.43 -0.37 2.33 2.86 -0.53 0.24 114.93 120.91 2j5i h MET 41 Ca 0.21 -0.11 0.01 0.00 -2.06 0.00 0.00 59.70 57.75 2j5i h MET 41 Cb 0.36 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 2j5i h MET 41 CO 0.00 0.54 0.24 0.82 1.06 0.00 0.00 176.91 179.57 2j5i h ILE 42 N 0.41 1.08 -0.43 -1.22 2.04 -1.18 -0.37 117.51 117.84 2j5i h ILE 42 Ca 0.08 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 2j5i h ILE 42 Cb 0.43 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 2j5i h ILE 42 CO 0.02 0.09 0.22 -0.78 0.00 0.00 0.00 178.15 177.70 2j5i h ASP 43 N 0.48 0.55 -0.14 1.72 3.58 -1.09 -1.02 116.42 120.50 2j5i h ASP 43 Ca 0.14 -0.11 0.04 0.00 0.42 0.00 0.00 57.03 57.52 2j5i h ASP 43 Cb -0.04 -0.14 -0.05 0.00 1.72 0.00 0.00 39.33 40.82 2j5i h ASP 43 CO -0.04 0.51 -0.15 0.58 -2.88 0.00 0.00 179.24 177.25 2j5i h VAL 44 N 0.56 0.59 -0.33 2.25 2.07 -0.28 -0.08 116.25 121.02 2j5i h VAL 44 Ca 0.15 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.64 2j5i h VAL 44 Cb 0.09 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 2j5i h VAL 44 CO -0.02 0.00 0.11 -0.07 0.02 0.00 0.00 177.57 177.61 2j5i h LEU 45 N -0.18 0.47 -0.97 2.57 3.38 -0.85 0.10 115.31 119.82 2j5i h LEU 45 Ca 0.10 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2j5i h LEU 45 Cb 0.33 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 2j5i h LEU 45 CO -0.25 0.54 0.50 -0.33 0.09 0.00 0.00 178.44 178.99 2j5i h GLU 46 N 0.37 1.22 -0.12 1.13 5.08 -1.10 -1.87 114.58 119.30 2j5i h GLU 46 Ca 0.11 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 2j5i h GLU 46 Cb 0.24 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 2j5i h GLU 46 CO -0.00 0.88 -0.12 1.15 -1.00 0.00 0.00 179.01 179.91 2j5i h THR 47 N 1.23 1.36 0.00 1.13 2.02 -0.73 -3.13 112.91 114.78 2j5i h THR 47 Ca 0.31 -1.28 -0.04 0.00 0.77 0.00 0.00 66.41 66.18 2j5i h THR 47 Cb -0.00 1.94 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 2j5i h THR 47 CO -0.05 0.37 -0.20 -0.07 0.37 0.00 0.00 175.52 175.94 2j5i h LEU 48 N -0.11 0.00 -1.10 2.58 3.38 -0.90 -2.30 115.31 116.86 2j5i h LEU 48 Ca 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2j5i h LEU 48 Cb 0.64 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 2j5i h LEU 48 CO 0.03 0.20 0.35 -0.08 0.09 0.00 0.00 178.44 179.03 2j5i h GLU 49 N 0.00 0.98 -0.48 1.13 4.81 -1.28 -2.51 114.58 117.23 2j5i h GLU 49 Ca -0.00 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 2j5i h GLU 49 Cb 0.44 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.64 2j5i h GLU 49 CO 0.03 0.75 0.00 1.04 -0.73 0.00 0.00 179.01 180.09 2j5i n GLN 50 N -4.35 2.46 -3.16 1.92 1.13 -0.90 -4.86 117.38 109.63 2j5i n GLN 50 Ca 0.07 -2.24 -0.43 0.00 -1.94 0.00 0.00 57.00 52.46 2j5i n GLN 50 Cb 0.12 -1.51 -0.07 0.00 0.11 0.00 0.00 30.24 28.89 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 -1.30 6.28 0.02 1.08 3.68 -0.95 -4.94 116.67 120.54 2j5i s ASP 51 Ca 0.41 -0.52 0.16 0.00 2.13 0.00 0.00 52.55 54.73 2j5i s ASP 51 Cb 0.23 -2.30 0.68 0.00 -1.45 0.00 0.00 42.92 40.08 2j5i s ASP 51 CO 0.31 -0.77 1.51 -0.81 0.13 0.00 0.00 175.17 175.54 2j5i n PRO 52 N 6.13 0.02 0.08 4.34 -0.04 -1.26 -1.53 135.00 142.74 2j5i n PRO 52 Ca -0.04 0.26 0.13 0.00 -0.04 0.00 0.00 63.50 63.81 2j5i n PRO 52 Cb 0.47 -1.53 0.46 0.00 -0.04 0.00 0.00 33.50 32.86 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 -1.53 2.14 -3.05 0.55 0.00 -1.26 -4.75 120.51 112.61 2j5i n ALA 53 Ca 0.04 -0.02 -0.37 0.00 0.00 0.00 0.00 53.44 53.09 2j5i n ALA 53 Cb 0.18 -1.44 -0.12 0.00 0.00 0.00 0.00 19.45 18.07 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 -3.12 3.16 -0.08 0.00 0.00 -0.58 -3.83 121.76 117.31 2j5i s ALA 54 Ca 0.10 -1.24 0.10 0.00 0.00 0.00 0.00 51.96 50.92 2j5i s ALA 54 Cb 0.13 -2.14 -0.14 0.00 0.00 0.00 0.00 23.12 20.96 2j5i s ALA 54 CO 0.53 -0.65 0.10 0.41 0.00 0.00 0.00 175.76 176.15 2j5i n GLY 55 N 4.92 -0.52 3.00 0.00 0.00 0.47 -4.91 105.19 108.15 2j5i n GLY 55 Ca -0.15 -0.20 -0.12 0.00 0.00 0.00 0.00 46.02 45.55 2j5i n GLY 55 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2j5i s VAL 56 N -2.41 0.03 -0.13 1.61 -7.23 -0.99 -4.19 120.40 107.09 2j5i s VAL 56 Ca -0.05 -0.24 -0.03 0.00 -1.81 0.00 0.00 61.98 59.85 2j5i s VAL 56 Cb 0.04 -0.21 -0.03 0.00 0.56 0.00 0.00 36.38 36.75 2j5i s VAL 56 CO 0.44 -0.13 -0.03 -0.76 -0.31 0.00 0.00 175.10 174.31 2j5i s LEU 57 N -0.40 3.33 -0.23 1.32 1.02 -0.71 -0.81 118.68 122.22 2j5i s LEU 57 Ca -0.05 -0.05 -0.01 0.00 0.02 0.00 0.00 54.13 54.04 2j5i s LEU 57 Cb -0.03 -1.79 0.02 0.00 0.02 0.00 0.00 46.19 44.41 2j5i s LEU 57 CO 0.00 0.24 -0.09 -0.69 0.02 0.00 0.00 176.35 175.83 2j5i s VAL 58 N -0.06 2.78 -0.18 -1.59 1.01 0.20 -0.60 120.40 121.95 2j5i s VAL 58 Ca 0.02 -0.91 -0.15 0.00 0.00 0.00 0.00 61.98 60.94 2j5i s VAL 58 Cb -0.13 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 2j5i s VAL 58 CO 0.02 0.32 0.37 -0.22 0.00 0.00 0.00 175.10 175.59 2j5i s LEU 59 N 1.34 4.19 0.36 3.92 2.96 -0.16 -0.25 118.68 131.04 2j5i s LEU 59 Ca 0.02 0.53 -0.09 0.00 -0.22 0.00 0.00 54.13 54.37 2j5i s LEU 59 Cb -0.15 -2.48 0.03 0.00 0.50 0.00 0.00 46.19 44.08 2j5i s LEU 59 CO -0.06 -0.02 0.61 0.28 -1.32 0.00 0.00 176.35 175.84 2j5i s THR 60 N 1.03 0.00 0.08 3.68 -1.32 -0.07 -0.61 115.64 118.43 2j5i s THR 60 Ca 0.19 -1.33 0.07 0.00 -1.21 0.00 0.00 61.69 59.41 2j5i s THR 60 Cb -0.14 -2.73 -0.03 0.00 -1.51 0.00 0.00 72.50 68.09 2j5i s THR 60 CO 0.07 0.00 -0.19 -0.83 -2.21 0.00 0.00 174.62 171.46 2j5i s GLY 61 N -3.16 1.09 0.46 6.08 0.00 -1.26 -0.60 107.32 109.93 2j5i s GLY 61 Ca 0.24 -1.13 -0.21 0.00 0.00 0.00 0.00 44.72 43.62 2j5i s GLY 61 CO 0.16 -1.12 1.00 0.00 0.00 0.00 0.00 173.10 173.14 2j5i s ALA 62 N -1.12 2.95 0.00 3.20 0.00 0.39 -4.82 121.76 122.37 2j5i s ALA 62 Ca 0.04 0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.51 2j5i s ALA 62 Cb -0.10 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.82 2j5i s ALA 62 CO 0.03 -0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.10 2j5i n GLY 63 N -0.42 0.12 0.13 0.00 0.00 -1.26 -3.95 105.19 99.81 2j5i n GLY 63 Ca 0.08 -0.95 0.02 0.00 0.00 0.00 0.00 46.02 45.17 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 -6.40 1.61 5.08 -1.91 -3.47 114.58 109.50 2j5i h GLU 64 Ca 0.00 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.85 2j5i h GLU 64 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2j5i h GLU 64 CO 0.00 0.49 -0.23 0.00 -1.00 0.00 0.00 179.01 178.28 2j5i s ALA 65 N -2.94 3.72 0.00 3.43 0.00 -1.25 -3.41 121.76 121.30 2j5i s ALA 65 Ca 0.03 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.23 2j5i s ALA 65 Cb 0.08 -2.13 0.00 0.00 0.00 0.00 0.00 23.12 21.07 2j5i s ALA 65 CO 0.76 0.24 0.00 1.87 0.00 0.00 0.00 175.76 178.63 2j5i n TRP 66 N -1.06 0.00 -3.72 0.00 -0.00 0.03 -4.10 117.44 108.59 2j5i n TRP 66 Ca -0.04 0.00 -0.12 0.00 -0.00 0.00 0.00 57.50 57.35 2j5i n TRP 66 Cb 0.54 -0.25 -0.11 0.00 -0.00 0.00 0.00 31.31 31.50 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 -0.63 -0.01 -1.87 5.87 -1.32 -0.59 -4.35 115.64 112.74 2j5i s THR 67 Ca 0.00 0.05 0.22 0.00 -1.21 0.00 0.00 61.69 60.75 2j5i s THR 67 Cb 0.00 -0.57 0.56 0.00 -1.51 0.00 0.00 72.50 70.98 2j5i s THR 67 CO 0.00 0.02 1.67 0.00 -2.21 0.00 0.00 174.62 174.10 2j5i n ALA 68 N 3.60 2.26 0.00 11.08 0.00 -0.03 -1.47 120.51 135.95 2j5i n ALA 68 Ca -0.19 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.13 2j5i n ALA 68 Cb 0.56 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 0.39 -0.76 3.76 0.00 0.00 -1.19 -4.51 105.19 102.88 2j5i n GLY 69 Ca 0.15 -1.99 -0.41 0.00 0.00 0.00 0.00 46.02 43.77 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 4.45 -0.50 1.61 1.75 -1.26 -0.16 119.30 125.20 2j5i s MET 70 Ca 0.00 2.07 -0.27 0.00 -1.25 0.00 0.00 55.69 56.23 2j5i s MET 70 Cb 0.00 -3.12 0.03 0.00 2.84 0.00 0.00 34.83 34.58 2j5i s MET 70 CO 0.00 -0.07 1.07 0.34 -0.65 0.00 0.00 175.02 175.71 2j5i s ASP 71 N -0.53 6.53 -0.14 1.11 -1.08 -1.09 -4.67 116.67 116.81 2j5i s ASP 71 Ca 0.48 0.22 -0.26 0.00 -0.52 0.00 0.00 52.55 52.47 2j5i s ASP 71 Cb -0.37 -2.51 -0.26 0.00 -1.46 0.00 0.00 42.92 38.32 2j5i s ASP 71 CO 0.48 -1.23 0.68 -0.07 0.52 0.00 0.00 175.17 175.54 2j5i h LEU 72 N 11.13 0.09 -0.32 -1.34 -0.00 -1.93 0.04 115.31 122.99 2j5i h LEU 72 Ca -0.24 -0.90 0.03 0.00 -0.00 0.00 0.00 57.88 56.77 2j5i h LEU 72 Cb 1.07 -0.03 -0.04 0.00 -0.00 0.00 0.00 40.66 41.66 2j5i h LEU 72 CO 1.10 1.18 -0.20 0.50 -0.00 0.00 0.00 178.44 181.03 2j5i h LYS 73 N -0.86 -0.01 -0.36 1.13 3.64 -1.99 -1.84 116.57 116.28 2j5i h LYS 73 Ca -0.10 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.33 2j5i h LYS 73 Cb 1.20 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.98 2j5i h LYS 73 CO -0.01 -0.01 0.10 1.49 -2.27 0.00 0.00 179.45 178.75 2j5i h GLU 74 N -0.01 0.23 0.00 1.90 4.81 -1.98 -1.04 114.58 118.49 2j5i h GLU 74 Ca 0.05 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2j5i h GLU 74 Cb 0.15 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.47 2j5i h GLU 74 CO -0.31 0.15 0.00 0.66 -0.73 0.00 0.00 179.01 178.79 2j5i n TYR 75 N -5.05 0.00 0.05 0.92 0.53 -0.00 -2.16 117.16 111.45 2j5i n TYR 75 Ca 0.01 0.00 0.21 0.00 -1.02 0.00 0.00 57.90 57.11 2j5i n TYR 75 Cb 0.14 -0.09 0.74 0.00 -1.03 0.00 0.00 39.34 39.10 2j5i n TYR 75 CO 0.00 0.00 0.00 0.74 -1.02 0.00 0.00 176.86 176.58 2j5i h PHE 76 N 0.00 0.00 0.40 -0.72 -1.00 -1.34 0.43 116.94 114.71 2j5i h PHE 76 Ca 0.00 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 2j5i h PHE 76 Cb 0.00 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.55 2j5i h PHE 76 CO -0.01 0.00 -0.35 -0.09 -1.61 0.00 0.00 178.31 176.25 2j5i h ARG 77 N 0.00 -0.71 -0.28 1.51 2.43 -1.18 0.61 114.38 116.76 2j5i h ARG 77 Ca 0.23 0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.50 2j5i h ARG 77 Cb 1.13 0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 30.79 2j5i h ARG 77 CO -0.00 -0.47 -0.01 0.93 -1.51 0.00 0.00 179.97 178.90 2j5i h GLU 78 N -0.74 0.07 0.00 0.20 5.08 0.34 -0.66 114.58 118.88 2j5i h GLU 78 Ca -0.05 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 2j5i h GLU 78 Cb 0.63 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 2j5i h GLU 78 CO -0.02 0.04 -0.28 0.28 -1.00 0.00 0.00 179.01 178.03 2j5i h VAL 79 N 0.07 1.09 -0.49 3.13 2.07 -1.42 -1.00 116.25 119.69 2j5i h VAL 79 Ca 0.13 -1.00 -0.03 0.00 0.82 0.00 0.00 66.70 66.63 2j5i h VAL 79 Cb 0.18 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 2j5i h VAL 79 CO -0.24 0.27 0.20 0.44 0.02 0.00 0.00 177.57 178.27 2j5i h ASP 80 N 0.00 0.68 0.02 0.57 3.32 0.17 -3.24 116.42 117.94 2j5i h ASP 80 Ca -0.00 -0.16 -0.11 0.00 0.02 0.00 0.00 57.03 56.78 2j5i h ASP 80 Cb 0.53 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 39.92 2j5i h ASP 80 CO 0.04 0.65 -0.43 0.00 -1.72 0.00 0.00 179.24 177.79 2j5i h ALA 81 N 1.05 0.02 -2.38 3.45 0.00 -1.15 -3.48 119.26 116.76 2j5i h ALA 81 Ca 0.17 -0.54 -0.46 0.00 0.00 0.00 0.00 54.91 54.08 2j5i h ALA 81 Cb 0.19 0.03 0.08 0.00 0.00 0.00 0.00 17.79 18.09 2j5i h ALA 81 CO -0.01 0.20 0.28 0.20 0.00 0.00 0.00 179.25 179.92 2j5i s GLY 82 N -4.07 1.66 1.09 0.00 0.00 -0.40 -5.07 107.32 100.53 2j5i s GLY 82 Ca -0.15 -0.83 -0.14 0.00 0.00 0.00 0.00 44.72 43.60 2j5i s GLY 82 CO 0.78 -0.41 1.08 2.56 0.00 0.00 0.00 173.10 177.11 2j5i s PRO 83 N -5.32 -0.35 0.27 2.90 0.04 -1.26 -4.89 135.00 126.39 2j5i s PRO 83 Ca 0.60 0.40 -0.02 0.00 0.04 0.00 0.00 61.00 62.03 2j5i s PRO 83 Cb -0.11 -1.66 0.42 0.00 0.04 0.00 0.00 34.50 33.20 2j5i s PRO 83 CO 0.46 -3.23 1.89 1.49 0.04 0.00 0.00 177.00 177.65 2j5i h GLU 84 N -2.25 1.13 0.00 4.56 4.22 -1.98 -1.99 114.58 118.27 2j5i h GLU 84 Ca -0.54 -0.07 0.00 0.00 0.08 0.00 0.00 59.36 58.83 2j5i h GLU 84 Cb 1.33 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 30.32 2j5i h GLU 84 CO 0.51 0.75 0.00 0.97 -2.18 0.00 0.00 179.01 179.06 2j5i h ILE 85 N 1.17 0.00 -0.93 2.32 6.09 -1.99 -2.57 117.51 121.60 2j5i h ILE 85 Ca 0.43 -0.23 -0.00 0.00 -1.37 0.00 0.00 64.86 63.68 2j5i h ILE 85 Cb 0.16 0.96 -0.04 0.00 0.47 0.00 0.00 36.82 38.37 2j5i h ILE 85 CO -0.17 0.00 0.56 0.25 -3.07 0.00 0.00 178.15 175.72 2j5i h LEU 86 N 0.00 1.12 -1.00 2.19 5.85 -1.70 -2.41 115.31 119.36 2j5i h LEU 86 Ca 0.00 -0.07 0.16 0.00 0.84 0.00 0.00 57.88 58.81 2j5i h LEU 86 Cb 0.33 -0.28 -0.10 0.00 0.37 0.00 0.00 40.66 40.98 2j5i h LEU 86 CO 0.00 0.85 0.61 -0.61 -0.34 0.00 0.00 178.44 178.95 2j5i h GLN 87 N 1.28 0.82 -0.40 1.25 4.15 -1.64 -0.99 115.11 119.58 2j5i h GLN 87 Ca 0.33 -0.05 0.04 0.00 0.77 0.00 0.00 58.65 59.75 2j5i h GLN 87 Cb -0.06 -0.19 -0.04 0.00 0.21 0.00 0.00 27.48 27.41 2j5i h GLN 87 CO -0.06 0.54 0.15 0.93 -1.93 0.00 0.00 178.83 178.46 2j5i h GLU 88 N 0.85 0.31 -0.22 1.69 4.39 -1.59 -0.73 114.58 119.28 2j5i h GLU 88 Ca 0.54 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 60.18 2j5i h GLU 88 Cb 0.73 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.30 2j5i h GLU 88 CO -0.34 0.21 -0.02 -0.22 -1.16 0.00 0.00 179.01 177.48 2j5i h LYS 89 N 0.32 0.40 -0.54 2.33 3.64 -1.28 -1.40 116.57 120.04 2j5i h LYS 89 Ca 0.18 -0.14 0.03 0.00 -1.27 0.00 0.00 60.65 59.46 2j5i h LYS 89 Cb 0.15 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.90 2j5i h LYS 89 CO -0.17 0.61 0.31 0.82 -2.27 0.00 0.00 179.45 178.75 2j5i h ILE 90 N 0.15 1.02 -0.57 2.00 2.04 -1.01 -0.76 117.51 120.38 2j5i h ILE 90 Ca 0.06 -0.21 -0.08 0.00 1.00 0.00 0.00 64.86 65.63 2j5i h ILE 90 Cb 0.44 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 2j5i h ILE 90 CO 0.02 0.11 0.04 0.03 0.00 0.00 0.00 178.15 178.34 2j5i h ARG 91 N 0.61 0.99 -0.64 2.37 3.08 -1.12 -1.28 114.38 118.39 2j5i h ARG 91 Ca 0.22 -0.30 0.02 0.00 0.07 0.00 0.00 59.98 60.00 2j5i h ARG 91 Cb 0.06 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 29.98 2j5i h ARG 91 CO -0.12 0.97 0.41 -0.09 -1.07 0.00 0.00 179.97 180.07 2j5i h ARG 92 N 0.88 0.80 -0.36 0.04 2.43 -0.96 -1.39 114.38 115.82 2j5i h ARG 92 Ca 0.17 -0.05 -0.14 0.00 -0.81 0.00 0.00 59.98 59.15 2j5i h ARG 92 Cb 0.50 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 2j5i h ARG 92 CO 0.02 0.53 -0.34 0.93 -1.51 0.00 0.00 179.97 179.60 2j5i h GLU 93 N 0.82 0.82 0.15 0.20 5.08 -0.91 -0.03 114.58 120.71 2j5i h GLU 93 Ca 0.25 -0.40 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2j5i h GLU 93 Cb -0.04 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 2j5i h GLU 93 CO -0.08 1.03 -0.09 0.00 -1.00 0.00 0.00 179.01 178.88 2j5i h ALA 94 N 0.93 -0.21 -0.51 3.43 0.00 -1.00 -3.00 119.26 118.89 2j5i h ALA 94 Ca 0.07 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2j5i h ALA 94 Cb 0.89 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2j5i h ALA 94 CO 0.08 -0.62 0.20 0.77 0.00 0.00 0.00 179.25 179.67 2j5i h SER 95 N -0.22 0.67 -0.39 0.00 0.02 -1.12 -2.21 113.55 110.29 2j5i h SER 95 Ca -0.01 -0.08 0.04 0.00 -0.84 0.00 0.00 61.79 60.90 2j5i h SER 95 Cb 0.19 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.51 2j5i h SER 95 CO 0.02 0.61 0.16 -0.61 -1.14 0.00 0.00 176.83 175.86 2j5i h GLN 96 N 0.73 0.32 0.05 3.45 5.75 -0.85 -0.74 115.11 123.82 2j5i h GLN 96 Ca 0.17 -0.02 -0.30 0.00 -0.15 0.00 0.00 58.65 58.35 2j5i h GLN 96 Cb 0.16 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.60 2j5i h GLN 96 CO -0.02 0.21 -1.68 0.11 -2.65 0.00 0.00 178.83 174.81 2j5i h TRP 97 N 0.33 0.20 -0.15 3.99 5.08 -1.53 -0.27 115.95 123.61 2j5i h TRP 97 Ca 0.18 -0.15 -0.09 0.00 1.08 0.00 0.00 58.89 59.91 2j5i h TRP 97 Cb 0.13 -0.01 -0.01 0.00 -3.00 0.00 0.00 29.16 26.27 2j5i h TRP 97 CO -0.13 1.26 -0.29 1.96 -1.28 0.00 0.00 178.44 179.95 2j5i h GLN 98 N 0.03 0.28 0.00 0.12 4.20 -1.20 -3.31 115.11 115.23 2j5i h GLN 98 Ca -0.29 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.32 2j5i h GLN 98 Cb 2.00 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.76 2j5i h GLN 98 CO 0.10 0.55 0.00 -2.67 -0.67 0.00 0.00 178.83 176.14 2j5i n TRP 99 N -4.12 0.00 -0.17 2.96 4.27 -0.81 -3.53 117.44 116.03 2j5i n TRP 99 Ca -0.01 0.00 -0.08 0.00 -3.89 0.00 0.00 57.50 53.52 2j5i n TRP 99 Cb 0.40 0.00 0.01 0.00 -1.36 0.00 0.00 31.31 30.36 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 0.72 0.11 -2.67 1.57 -1.20 0.08 116.57 115.18 2j5i h LYS 100 Ca 0.00 -0.11 -0.31 0.00 -1.87 0.00 0.00 60.65 58.36 2j5i h LYS 100 Cb 0.00 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 2j5i h LYS 100 CO 0.00 0.62 -1.55 -0.07 -0.57 0.00 0.00 179.45 177.87 2j5i h LEU 101 N 0.66 0.37 0.20 2.94 3.38 -1.26 -3.42 115.31 118.18 2j5i h LEU 101 Ca 0.17 -0.53 -0.34 0.00 0.09 0.00 0.00 57.88 57.27 2j5i h LEU 101 Cb 0.14 -0.12 0.02 0.00 0.09 0.00 0.00 40.66 40.79 2j5i h LEU 101 CO -0.02 1.44 -1.62 0.25 0.09 0.00 0.00 178.44 178.58 2j5i h LEU 102 N 0.06 0.66 -0.42 1.67 5.85 -1.61 -2.85 115.31 118.67 2j5i h LEU 102 Ca -0.25 -0.86 0.00 0.00 0.84 0.00 0.00 57.88 57.61 2j5i h LEU 102 Cb 2.01 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 42.81 2j5i h LEU 102 CO 0.15 1.71 0.28 -0.09 -0.34 0.00 0.00 178.44 180.15 2j5i h ARG 103 N 0.12 0.56 -1.03 1.25 2.43 -1.13 -2.58 114.38 113.99 2j5i h ARG 103 Ca -0.30 -0.03 -0.65 0.00 -0.81 0.00 0.00 59.98 58.19 2j5i h ARG 103 Cb 2.11 -0.13 -0.33 0.00 -0.42 0.00 0.00 29.97 31.20 2j5i h ARG 103 CO 0.21 0.37 0.33 -1.33 -1.51 0.00 0.00 179.97 178.04 2j5i n MET 104 N -4.79 3.00 -1.80 0.20 2.81 -1.26 -4.89 117.12 110.38 2j5i n MET 104 Ca 0.01 -3.62 -0.37 0.00 -1.81 0.00 0.00 57.70 51.92 2j5i n MET 104 Cb 0.02 -2.28 0.06 0.00 -0.71 0.00 0.00 33.22 30.31 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 -3.77 2.15 0.03 2.03 6.04 -0.97 -4.91 117.35 117.95 2j5i s TYR 105 Ca 0.59 1.49 0.28 0.00 0.04 0.00 0.00 57.07 59.47 2j5i s TYR 105 Cb 0.47 -3.66 1.04 0.00 -1.04 0.00 0.00 41.96 38.77 2j5i s TYR 105 CO -0.04 -2.78 1.86 0.00 -1.54 0.00 0.00 175.55 173.06 2j5i h ALA 106 N 0.65 1.00 -2.74 3.97 0.00 -1.92 -3.44 119.26 116.78 2j5i h ALA 106 Ca -0.51 -0.08 -0.58 0.00 0.00 0.00 0.00 54.91 53.73 2j5i h ALA 106 Cb 1.33 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 19.01 2j5i h ALA 106 CO 0.54 0.12 -0.62 0.15 0.00 0.00 0.00 179.25 179.44 2j5i s LYS 107 N -3.58 2.61 0.58 0.00 1.02 -1.26 -4.71 119.74 114.40 2j5i s LYS 107 Ca 0.02 -1.03 -0.18 0.00 0.02 0.00 0.00 55.97 54.79 2j5i s LYS 107 Cb 0.09 -2.46 -0.04 0.00 -0.52 0.00 0.00 37.83 34.89 2j5i s LYS 107 CO 0.60 0.46 1.15 -1.25 -0.92 0.00 0.00 175.35 175.38 2j5i s PRO 108 N -3.08 3.15 -0.00 -1.68 0.04 -1.26 -4.88 135.00 127.29 2j5i s PRO 108 Ca 0.29 1.63 0.02 0.00 0.04 0.00 0.00 61.00 62.98 2j5i s PRO 108 Cb -0.09 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.46 2j5i s PRO 108 CO 0.21 -1.01 -0.08 0.95 0.04 0.00 0.00 177.00 177.11 2j5i s THR 109 N -1.83 0.61 -0.06 1.26 -4.23 -1.26 -1.73 115.64 108.39 2j5i s THR 109 Ca 0.73 -0.36 0.02 0.00 -1.18 0.00 0.00 61.69 60.90 2j5i s THR 109 Cb -0.25 -0.52 0.02 0.00 1.34 0.00 0.00 72.50 73.09 2j5i s THR 109 CO 0.31 0.15 -0.09 -0.63 -0.54 0.00 0.00 174.62 173.82 2j5i s ILE 110 N -0.23 0.92 -0.05 2.99 1.01 0.23 -2.08 121.20 124.00 2j5i s ILE 110 Ca 0.03 -0.35 -0.26 0.00 0.00 0.00 0.00 60.65 60.06 2j5i s ILE 110 Cb -0.03 -0.88 -0.03 0.00 0.01 0.00 0.00 42.46 41.53 2j5i s ILE 110 CO -0.00 0.31 0.84 0.00 0.00 0.00 0.00 174.94 176.09 2j5i s ALA 111 N 0.79 3.28 -0.46 9.38 0.00 0.37 -0.98 121.76 134.14 2j5i s ALA 111 Ca -0.13 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.14 2j5i s ALA 111 Cb -0.15 -3.15 0.12 0.00 0.00 0.00 0.00 23.12 19.94 2j5i s ALA 111 CO 0.02 -0.22 0.22 1.41 0.00 0.00 0.00 175.76 177.19 2j5i s MET 112 N 1.05 1.98 -0.79 0.00 1.75 0.22 -1.05 119.30 122.45 2j5i s MET 112 Ca 0.44 -2.14 -0.19 0.00 -1.25 0.00 0.00 55.69 52.54 2j5i s MET 112 Cb -0.19 -3.46 0.12 0.00 2.84 0.00 0.00 34.83 34.13 2j5i s MET 112 CO 0.22 -1.07 0.98 0.08 -0.65 0.00 0.00 175.02 174.58 2j5i s VAL 113 N 0.54 4.72 -0.58 10.11 1.01 0.12 -4.40 120.40 131.91 2j5i s VAL 113 Ca 0.13 -1.24 0.24 0.00 0.00 0.00 0.00 61.98 61.11 2j5i s VAL 113 Cb -0.22 -4.68 0.24 0.00 0.00 0.00 0.00 36.38 31.73 2j5i s VAL 113 CO -0.04 -1.39 1.58 -0.55 0.00 0.00 0.00 175.10 174.71 2j5i h ASN 114 N 9.00 0.00 0.00 3.32 -1.07 -1.88 -0.83 115.58 124.13 2j5i h ASN 114 Ca -0.04 -0.03 0.00 0.00 0.07 0.00 0.00 56.30 56.29 2j5i h ASN 114 Cb 1.05 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.30 2j5i h ASN 114 CO 1.10 0.02 0.00 0.61 0.07 0.00 0.00 177.43 179.22 2j5i n GLY 115 N 1.23 2.15 3.62 9.14 0.00 -1.25 -4.66 105.19 115.42 2j5i n GLY 115 Ca 0.04 -0.18 -0.56 0.00 0.00 0.00 0.00 46.02 45.32 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 1.51 -3.69 1.61 7.02 -1.22 -3.84 117.44 118.83 2j5i n TRP 116 Ca 0.00 0.74 -0.28 0.00 -1.02 0.00 0.00 57.50 56.94 2j5i n TRP 116 Cb 0.00 -2.31 -0.16 0.00 -2.42 0.00 0.00 31.31 26.42 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 1.84 1.83 0.00 0.00 0.40 -0.54 -2.65 117.98 118.86 2j5i s PHE 118 Ca 0.04 -0.40 0.00 0.00 -0.60 0.00 0.00 56.93 55.97 2j5i s PHE 118 Cb -0.17 -1.02 0.00 0.00 0.51 0.00 0.00 43.02 42.34 2j5i s PHE 118 CO -0.19 0.18 0.00 0.41 0.70 0.00 0.00 175.22 176.32 2j5i n GLY 119 N 1.30 4.00 0.39 4.36 0.00 -0.44 -1.68 105.19 113.11 2j5i n GLY 119 Ca -0.19 0.07 0.20 0.00 0.00 0.00 0.00 46.02 46.10 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 1.76 -0.02 0.00 -1.90 -0.46 103.07 102.45 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 0.10 -1.33 0.00 0.00 0.00 176.54 175.31 2j5i h GLY 121 N 0.00 0.00 2.00 4.60 0.00 -1.60 -2.89 103.07 105.17 2j5i h GLY 121 Ca 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.50 2j5i h GLY 121 CO -0.00 0.00 -0.09 0.74 0.00 0.00 0.00 176.54 177.19 2j5i h PHE 122 N 0.00 0.00 0.50 5.60 -1.00 -1.28 -2.12 116.94 118.64 2j5i h PHE 122 Ca 0.03 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.78 2j5i h PHE 122 Cb 0.23 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.80 2j5i h PHE 122 CO 0.00 0.09 -0.24 0.77 -1.61 0.00 0.00 178.31 177.32 2j5i h SER 123 N 0.00 -0.57 0.60 2.17 0.02 -1.74 -1.44 113.55 112.58 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 0.16 0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 2j5i h SER 123 CO 0.01 -0.22 -0.20 1.55 -1.14 0.00 0.00 176.83 176.83 2j5i h PRO 124 N -0.96 0.00 -0.42 3.45 0.13 -1.60 -0.41 132.00 132.19 2j5i h PRO 124 Ca -0.07 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.08 2j5i h PRO 124 Cb 0.60 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.70 2j5i h PRO 124 CO 0.11 0.20 0.24 1.25 -0.23 0.00 0.00 178.00 179.57 2j5i h LEU 125 N 0.00 0.38 0.00 1.56 5.85 -1.19 -1.53 115.31 120.38 2j5i h LEU 125 Ca -0.00 0.01 -0.23 0.00 0.84 0.00 0.00 57.88 58.50 2j5i h LEU 125 Cb 0.56 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 2j5i h LEU 125 CO 0.03 0.27 -1.15 0.58 -0.34 0.00 0.00 178.44 177.82 2j5i h VAL 126 N 0.48 1.50 -0.79 1.05 2.07 -0.96 -3.25 116.25 116.36 2j5i h VAL 126 Ca 0.17 -3.24 -0.00 0.00 0.82 0.00 0.00 66.70 64.45 2j5i h VAL 126 Cb 0.03 2.74 -0.04 0.00 -1.52 0.00 0.00 31.29 32.50 2j5i h VAL 126 CO -0.09 0.86 0.48 0.00 0.02 0.00 0.00 177.57 178.83 2j5i h ALA 127 N 1.01 1.36 -2.61 1.67 0.00 -0.97 -3.42 119.26 116.31 2j5i h ALA 127 Ca -0.07 -0.09 -0.56 0.00 0.00 0.00 0.00 54.91 54.19 2j5i h ALA 127 Cb 1.82 -0.32 0.10 0.00 0.00 0.00 0.00 17.79 19.39 2j5i h ALA 127 CO 0.12 0.56 0.63 0.00 0.00 0.00 0.00 179.25 180.55 2j5i h ASP 129 N 3.22 -0.10 -3.28 0.00 3.45 -1.67 -3.45 116.42 114.59 2j5i h ASP 129 Ca -0.47 -0.01 -0.48 0.00 0.43 0.00 0.00 57.03 56.49 2j5i h ASP 129 Cb 1.27 0.03 -0.16 0.00 -0.56 0.00 0.00 39.33 39.91 2j5i h ASP 129 CO 0.67 -0.05 -0.75 -0.76 -1.57 0.00 0.00 179.24 176.78 2j5i s LEU 130 N -10.13 2.51 -0.08 1.55 1.43 -0.94 -5.03 118.68 107.99 2j5i s LEU 130 Ca -0.14 -0.96 -0.07 0.00 -1.03 0.00 0.00 54.13 51.93 2j5i s LEU 130 Cb 0.05 -0.75 0.02 0.00 0.03 0.00 0.00 46.19 45.55 2j5i s LEU 130 CO 0.65 -0.11 0.21 0.00 0.23 0.00 0.00 176.35 177.34 2j5i s ALA 131 N -2.60 -0.52 -0.05 4.21 0.00 -1.26 -0.48 121.76 121.06 2j5i s ALA 131 Ca 0.20 0.57 0.04 0.00 0.00 0.00 0.00 51.96 52.78 2j5i s ALA 131 Cb -0.03 -0.33 -0.00 0.00 0.00 0.00 0.00 23.12 22.76 2j5i s ALA 131 CO 0.07 -0.10 -0.16 0.42 0.00 0.00 0.00 175.76 175.98 2j5i s ILE 132 N 0.06 1.39 0.29 0.00 -1.09 -0.22 -0.64 121.20 120.99 2j5i s ILE 132 Ca -0.01 -0.69 0.10 0.00 -2.23 0.00 0.00 60.65 57.83 2j5i s ILE 132 Cb -0.02 -1.21 -0.06 0.00 -1.58 0.00 0.00 42.46 39.60 2j5i s ILE 132 CO 0.00 0.40 -0.14 0.00 -1.23 0.00 0.00 174.94 173.98 2j5i s ALA 134 N -2.67 3.36 0.32 0.00 0.00 -0.32 -1.20 121.76 121.26 2j5i s ALA 134 Ca 0.30 0.73 0.09 0.00 0.00 0.00 0.00 51.96 53.08 2j5i s ALA 134 Cb -0.01 -3.27 0.86 0.00 0.00 0.00 0.00 23.12 20.71 2j5i s ALA 134 CO 0.14 0.03 1.75 -0.44 0.00 0.00 0.00 175.76 177.25 2j5i h ASP 135 N 4.18 0.68 0.94 0.00 3.32 -0.75 0.25 116.42 125.04 2j5i h ASP 135 Ca -0.45 0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.71 2j5i h ASP 135 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 2j5i h ASP 135 CO 0.68 0.17 0.00 -0.33 -1.72 0.00 0.00 179.24 178.04 2j5i h GLU 136 N 0.62 0.00 -7.04 3.56 3.07 -1.92 -2.94 114.58 109.93 2j5i h GLU 136 Ca 0.61 0.00 -0.54 0.00 -0.50 0.00 0.00 59.36 58.93 2j5i h GLU 136 Cb 1.14 0.00 0.12 0.00 -0.84 0.00 0.00 28.75 29.17 2j5i h GLU 136 CO -0.41 0.00 0.58 0.00 -1.40 0.00 0.00 179.01 177.78 2j5i s ALA 137 N -3.34 2.86 -0.08 3.43 0.00 0.08 -4.87 121.76 119.83 2j5i s ALA 137 Ca 0.05 1.25 0.03 0.00 0.00 0.00 0.00 51.96 53.29 2j5i s ALA 137 Cb 0.10 -3.53 -0.02 0.00 0.00 0.00 0.00 23.12 19.67 2j5i s ALA 137 CO 0.46 -1.22 -0.18 0.99 0.00 0.00 0.00 175.76 175.81 2j5i s THR 138 N -1.35 2.68 0.21 0.00 2.01 -1.26 -2.21 115.64 115.72 2j5i s THR 138 Ca 0.70 -0.83 0.11 0.00 0.31 0.00 0.00 61.69 61.98 2j5i s THR 138 Cb -0.38 -2.05 -0.05 0.00 0.01 0.00 0.00 72.50 70.03 2j5i s THR 138 CO 0.45 0.56 -0.22 -0.36 -0.69 0.00 0.00 174.62 174.36 2j5i s PHE 139 N -0.10 2.32 -0.29 4.92 0.40 0.96 -0.79 117.98 125.39 2j5i s PHE 139 Ca -0.03 -0.35 -0.28 0.00 -0.60 0.00 0.00 56.93 55.67 2j5i s PHE 139 Cb -0.14 -1.12 0.20 0.00 0.51 0.00 0.00 43.02 42.47 2j5i s PHE 139 CO 0.04 0.55 1.40 0.20 0.70 0.00 0.00 175.22 178.11 2j5i s GLY 140 N -2.86 0.18 -1.07 4.36 0.00 -1.08 -1.06 107.32 105.79 2j5i s GLY 140 Ca 0.23 3.07 -0.06 0.00 0.00 0.00 0.00 44.72 47.95 2j5i s GLY 140 CO 0.11 1.34 1.21 1.04 0.00 0.00 0.00 173.10 176.80 2j5i n LEU 141 N 0.79 5.69 0.00 0.66 7.99 -1.26 -1.33 117.00 129.54 2j5i n LEU 141 Ca -0.03 -5.12 0.10 0.00 -0.01 0.00 0.00 56.01 50.95 2j5i n LEU 141 Cb 0.58 -1.35 0.45 0.00 -0.11 0.00 0.00 43.42 42.99 2j5i n LEU 141 CO 0.05 1.51 0.81 -1.54 -1.51 0.00 0.00 177.39 176.71 2j5i n SER 142 N 2.10 0.00 -0.32 -1.43 3.41 -1.26 -3.98 113.62 112.14 2j5i n SER 142 Ca 0.25 0.30 0.02 0.00 -0.26 0.00 0.00 58.87 59.18 2j5i n SER 142 Cb 0.37 -0.42 0.09 0.00 -0.26 0.00 0.00 64.21 63.99 2j5i n SER 142 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2j5i h GLU 143 N 0.00 -0.02 -0.79 4.33 3.07 -1.89 -1.92 114.58 117.36 2j5i h GLU 143 Ca 0.00 0.00 0.10 0.00 -0.50 0.00 0.00 59.36 58.96 2j5i h GLU 143 Cb 0.28 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.14 2j5i h GLU 143 CO 0.00 -0.01 0.52 0.97 -1.40 0.00 0.00 179.01 179.08 2j5i h ILE 144 N -0.02 0.93 0.00 3.13 6.09 -1.64 -0.36 117.51 125.65 2j5i h ILE 144 Ca 0.39 -0.24 0.00 0.00 -1.37 0.00 0.00 64.86 63.64 2j5i h ILE 144 Cb 0.63 0.17 0.00 0.00 0.47 0.00 0.00 36.82 38.09 2j5i h ILE 144 CO -0.91 0.13 0.00 0.78 -3.07 0.00 0.00 178.15 175.08 2j5i h ASN 145 N 0.70 0.00 -0.74 2.19 2.35 -1.65 -1.66 115.58 116.77 2j5i h ASN 145 Ca 0.37 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.12 2j5i h ASN 145 Cb 0.48 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.85 2j5i h ASN 145 CO -0.14 0.00 0.00 0.79 -1.65 0.00 0.00 177.43 176.43 2j5i n TRP 146 N -2.39 0.99 -2.84 1.19 5.03 -0.21 -4.97 117.44 114.24 2j5i n TRP 146 Ca 0.05 -0.49 -0.12 0.00 3.03 0.00 0.00 57.50 59.96 2j5i n TRP 146 Cb 0.40 -0.00 0.03 0.00 -1.03 0.00 0.00 31.31 30.71 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 1.67 0.08 3.16 6.99 0.00 -0.63 -5.04 105.19 111.43 2j5i n GLY 147 Ca 0.25 -0.24 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.00 1.21 0.82 -0.61 -4.36 -0.92 -5.02 121.20 109.33 2j5i s ILE 148 Ca 0.23 -1.00 -0.12 0.00 -0.26 0.00 0.00 60.65 59.50 2j5i s ILE 148 Cb -0.10 -1.08 0.08 0.00 1.25 0.00 0.00 42.46 42.61 2j5i s ILE 148 CO 0.28 0.07 1.11 -2.16 0.24 0.00 0.00 174.94 174.48 2j5i s PRO 149 N -1.08 1.91 0.15 0.37 0.04 -1.26 -2.72 135.00 132.42 2j5i s PRO 149 Ca 0.03 0.50 -0.33 0.00 0.04 0.00 0.00 61.00 61.24 2j5i s PRO 149 Cb -0.08 -1.91 -0.13 0.00 0.04 0.00 0.00 34.50 32.42 2j5i s PRO 149 CO 0.01 -1.71 1.67 -2.30 0.04 0.00 0.00 177.00 174.72 2j5i n PRO 150 N -3.47 2.42 -2.94 0.56 -0.02 -1.26 -4.90 135.00 125.39 2j5i n PRO 150 Ca 0.07 0.87 -0.20 0.00 -2.02 0.00 0.00 63.50 62.23 2j5i n PRO 150 Cb 0.57 -2.69 0.02 0.00 -0.02 0.00 0.00 33.50 31.39 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 1.42 1.80 0.00 -1.23 0.00 -1.26 -4.73 107.32 103.32 2j5i s GLY 151 Ca 0.79 -1.43 0.00 0.00 0.00 0.00 0.00 44.72 44.08 2j5i s GLY 151 CO 0.37 -1.23 0.00 -2.01 0.00 0.00 0.00 173.10 170.23 2j5i n ASN 152 N -2.03 0.00 -1.31 1.64 5.15 -1.26 -2.66 115.26 114.78 2j5i n ASN 152 Ca 0.06 0.00 0.07 0.00 -0.60 0.00 0.00 54.58 54.11 2j5i n ASN 152 Cb 0.59 0.00 0.28 0.00 -0.53 0.00 0.00 39.78 40.12 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 3.85 -0.19 1.20 7.99 -1.26 -4.62 117.00 123.97 2j5i n LEU 153 Ca 0.00 -1.94 -0.02 0.00 -0.01 0.00 0.00 56.01 54.03 2j5i n LEU 153 Cb 0.00 -0.52 0.08 0.00 -0.11 0.00 0.00 43.42 42.87 2j5i n LEU 153 CO 0.00 0.64 1.03 0.58 -1.51 0.00 0.00 177.39 178.13 2j5i h VAL 154 N 3.16 0.91 -0.42 4.08 2.07 -1.82 -0.30 116.25 123.94 2j5i h VAL 154 Ca 0.00 -0.18 -0.09 0.00 0.82 0.00 0.00 66.70 67.25 2j5i h VAL 154 Cb 1.21 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 2j5i h VAL 154 CO 0.20 0.10 -0.11 0.28 0.02 0.00 0.00 177.57 178.06 2j5i h SER 155 N 0.53 0.72 -0.08 0.57 0.02 -1.83 -1.99 113.55 111.49 2j5i h SER 155 Ca 0.27 -0.21 -0.10 0.00 -0.84 0.00 0.00 61.79 60.91 2j5i h SER 155 Cb 0.21 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 2j5i h SER 155 CO -0.20 0.86 -0.26 0.50 -1.14 0.00 0.00 176.83 176.59 2j5i h LYS 156 N 0.67 0.52 -0.66 3.45 1.63 -1.78 -0.56 116.57 119.85 2j5i h LYS 156 Ca 0.12 -0.20 0.00 0.00 -0.85 0.00 0.00 60.65 59.72 2j5i h LYS 156 Cb 0.57 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.14 2j5i h LYS 156 CO 0.04 0.73 0.42 0.00 -3.45 0.00 0.00 179.45 177.19 2j5i h ALA 157 N 1.27 0.84 -0.37 5.00 0.00 -0.61 -0.33 119.26 125.06 2j5i h ALA 157 Ca 0.07 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 2j5i h ALA 157 Cb 0.69 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2j5i h ALA 157 CO 0.05 0.28 -0.06 0.52 0.00 0.00 0.00 179.25 180.04 2j5i h MET 158 N 0.89 0.69 -0.90 0.00 2.86 -1.25 -2.99 114.93 114.24 2j5i h MET 158 Ca 0.24 -0.25 0.01 0.00 -2.06 0.00 0.00 59.70 57.63 2j5i h MET 158 Cb -0.08 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.49 2j5i h MET 158 CO -0.05 0.83 0.59 0.00 1.06 0.00 0.00 176.91 179.34 2j5i h ALA 159 N 0.84 1.14 0.00 6.32 0.00 -0.53 0.80 119.26 127.82 2j5i h ALA 159 Ca 0.10 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2j5i h ALA 159 Cb 0.56 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2j5i h ALA 159 CO 0.03 0.55 -0.16 -0.44 0.00 0.00 0.00 179.25 179.22 2j5i h ASP 160 N 1.22 0.00 0.00 0.00 5.19 -1.01 -3.38 116.42 118.44 2j5i h ASP 160 Ca 0.33 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.73 2j5i h ASP 160 Cb -0.13 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.38 2j5i h ASP 160 CO -0.07 0.16 -1.02 0.35 -3.12 0.00 0.00 179.24 175.55 2j5i n THR 161 N -3.88 0.02 -4.81 0.35 -2.24 -0.77 -5.05 114.28 97.90 2j5i n THR 161 Ca -0.02 -0.01 -0.32 0.00 -2.27 0.00 0.00 64.05 61.43 2j5i n THR 161 Cb 0.26 -0.85 -0.13 0.00 -2.10 0.00 0.00 70.33 67.51 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 -2.01 2.88 0.79 2.28 1.01 0.21 -4.16 120.40 121.40 2j5i s VAL 162 Ca -0.00 -0.96 -0.14 0.00 0.00 0.00 0.00 61.98 60.88 2j5i s VAL 162 Cb 0.00 -2.16 0.03 0.00 0.00 0.00 0.00 36.38 34.25 2j5i s VAL 162 CO 0.01 0.47 0.85 0.61 0.00 0.00 0.00 175.10 177.05 2j5i n GLY 163 N 1.96 -0.81 0.35 4.51 0.00 -1.26 -4.57 105.19 105.37 2j5i n GLY 163 Ca -0.16 -0.47 -0.10 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.73 -0.98 -0.59 1.61 2.76 -1.94 -0.41 115.15 114.87 2j5i h HIS 164 Ca -0.46 0.05 -0.07 0.00 -2.20 0.00 0.00 60.37 57.69 2j5i h HIS 164 Cb 1.32 0.46 -0.02 0.00 1.55 0.00 0.00 27.41 30.72 2j5i h HIS 164 CO 0.41 -0.41 0.11 0.00 -1.30 0.00 0.00 177.93 176.74 2j5i h ARG 165 N -0.36 0.97 -0.51 5.26 2.47 -2.00 -1.28 114.38 118.94 2j5i h ARG 165 Ca 0.12 -0.25 -0.12 0.00 -1.26 0.00 0.00 59.98 58.47 2j5i h ARG 165 Cb 0.56 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.75 2j5i h ARG 165 CO -0.44 0.91 -0.15 1.96 0.56 0.00 0.00 179.97 182.81 2j5i h GLN 166 N 0.87 1.00 -0.11 0.04 4.20 -1.89 -0.89 115.11 118.33 2j5i h GLN 166 Ca 0.18 -0.39 -0.00 0.00 0.06 0.00 0.00 58.65 58.49 2j5i h GLN 166 Cb 0.40 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 2j5i h GLN 166 CO 0.01 1.07 0.05 0.77 -0.67 0.00 0.00 178.83 180.06 2j5i h SER 167 N 0.86 0.15 -0.74 1.46 0.02 -0.89 -1.65 113.55 112.76 2j5i h SER 167 Ca 0.12 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2j5i h SER 167 Cb 0.72 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 63.19 2j5i h SER 167 CO 0.06 0.23 0.48 -0.07 -1.14 0.00 0.00 176.83 176.39 2j5i h LEU 168 N 0.05 0.86 -0.19 5.07 3.38 -1.07 -0.11 115.31 123.30 2j5i h LEU 168 Ca 0.04 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2j5i h LEU 168 Cb 0.12 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2j5i h LEU 168 CO -0.00 0.63 0.04 0.22 0.09 0.00 0.00 178.44 179.42 2j5i h TYR 169 N 1.01 0.32 -0.03 1.13 5.03 -0.84 0.23 116.97 123.82 2j5i h TYR 169 Ca 0.27 -0.04 -0.17 0.00 2.58 0.00 0.00 58.73 61.37 2j5i h TYR 169 Cb -0.10 -0.09 -0.01 0.00 1.55 0.00 0.00 36.73 38.08 2j5i h TYR 169 CO 0.00 0.44 -0.72 1.88 -1.32 0.00 0.00 178.16 178.43 2j5i h TYR 170 N 0.12 0.27 -0.24 -3.82 0.05 -0.93 -1.60 116.97 110.81 2j5i h TYR 170 Ca 0.06 -0.12 -0.15 0.00 0.05 0.00 0.00 58.73 58.56 2j5i h TYR 170 Cb 0.28 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 37.98 2j5i h TYR 170 CO 0.01 0.85 -0.45 0.82 -1.05 0.00 0.00 178.16 178.34 2j5i h ILE 171 N 0.13 1.31 -0.07 -2.88 2.04 -0.95 -1.13 117.51 115.95 2j5i h ILE 171 Ca -0.02 -1.66 -0.19 0.00 1.00 0.00 0.00 64.86 63.99 2j5i h ILE 171 Cb 1.28 1.77 -0.00 0.00 -0.74 0.00 0.00 36.82 39.13 2j5i h ILE 171 CO 0.11 0.53 -0.76 0.24 0.00 0.00 0.00 178.15 178.26 2j5i h MET 172 N 0.44 0.42 0.00 2.37 2.86 -0.93 -3.33 114.93 116.76 2j5i h MET 172 Ca 0.01 -0.36 -0.26 0.00 -2.06 0.00 0.00 59.70 57.03 2j5i h MET 172 Cb 1.05 0.08 -0.05 0.00 0.06 0.00 0.00 31.60 32.75 2j5i h MET 172 CO 0.10 1.00 -1.96 0.25 1.06 0.00 0.00 176.91 177.36 2j5i n THR 173 N -3.83 1.22 -1.44 2.22 -2.24 -0.61 -4.98 114.28 104.63 2j5i n THR 173 Ca -0.05 -0.76 -0.12 0.00 -2.27 0.00 0.00 64.05 60.85 2j5i n THR 173 Cb 0.73 -0.60 -0.05 0.00 -2.10 0.00 0.00 70.33 68.31 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 1.56 1.13 3.79 3.38 0.00 -0.43 -4.90 105.19 109.73 2j5i n GLY 174 Ca -0.20 -0.47 -0.35 0.00 0.00 0.00 0.00 46.02 44.99 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 -3.18 4.08 0.50 1.61 1.02 -1.26 -4.52 119.74 117.99 2j5i s LYS 175 Ca 0.00 1.43 -0.06 0.00 0.02 0.00 0.00 55.97 57.35 2j5i s LYS 175 Cb 0.00 -2.39 -0.04 0.00 -0.52 0.00 0.00 37.83 34.88 2j5i s LYS 175 CO 0.00 -0.20 0.82 0.95 -0.92 0.00 0.00 175.35 176.00 2j5i s THR 176 N -1.79 4.87 0.09 2.17 -4.23 -1.26 -4.51 115.64 110.98 2j5i s THR 176 Ca 0.61 0.32 -0.06 0.00 -1.18 0.00 0.00 61.69 61.38 2j5i s THR 176 Cb -0.19 -3.86 -0.02 0.00 1.34 0.00 0.00 72.50 69.77 2j5i s THR 176 CO 0.24 -0.89 0.12 0.72 -0.54 0.00 0.00 174.62 174.27 2j5i s PHE 177 N -2.80 0.34 0.63 3.99 -0.71 -0.23 -4.98 117.98 114.23 2j5i s PHE 177 Ca 0.49 -0.80 0.06 0.00 -1.04 0.00 0.00 56.93 55.64 2j5i s PHE 177 Cb -0.10 -0.19 0.11 0.00 -1.21 0.00 0.00 43.02 41.62 2j5i s PHE 177 CO 0.46 -0.51 0.86 0.41 -1.34 0.00 0.00 175.22 175.11 2j5i n GLY 178 N -0.02 1.53 0.17 1.99 0.00 -1.26 -0.03 105.19 107.56 2j5i n GLY 178 Ca -0.13 -2.16 -0.08 0.00 0.00 0.00 0.00 46.02 43.64 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 -0.13 0.55 1.00 -0.02 0.00 -1.25 -0.05 103.07 103.17 2j5i h GLY 179 Ca -0.29 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 46.83 2j5i h GLY 179 CO 0.38 0.21 0.41 1.46 0.00 0.00 0.00 176.54 179.00 2j5i h GLN 180 N 0.52 0.86 -0.58 4.80 1.08 -1.84 -0.91 115.11 119.04 2j5i h GLN 180 Ca 0.14 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.27 2j5i h GLN 180 Cb -0.05 -0.19 -0.03 0.00 -0.05 0.00 0.00 27.48 27.17 2j5i h GLN 180 CO -0.03 0.58 0.32 -0.22 -0.95 0.00 0.00 178.83 178.53 2j5i h LYS 181 N 0.87 0.81 -0.74 1.46 1.63 -1.87 -0.72 116.57 118.01 2j5i h LYS 181 Ca 0.23 -0.09 0.13 0.00 -0.85 0.00 0.00 60.65 60.07 2j5i h LYS 181 Cb -0.08 -0.16 -0.09 0.00 -0.60 0.00 0.00 32.23 31.31 2j5i h LYS 181 CO -0.05 0.62 0.33 0.00 -3.45 0.00 0.00 179.45 176.89 2j5i h ALA 182 N 1.15 1.05 -0.15 5.00 0.00 -0.38 0.61 119.26 126.53 2j5i h ALA 182 Ca 0.20 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 55.12 2j5i h ALA 182 Cb 0.04 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2j5i h ALA 182 CO -0.03 -0.15 -0.24 0.00 0.00 0.00 0.00 179.25 178.82 2j5i h ALA 183 N 1.51 0.23 -0.88 0.00 0.00 -0.84 -1.31 119.26 117.97 2j5i h ALA 183 Ca 0.40 -0.38 0.13 0.00 0.00 0.00 0.00 54.91 55.06 2j5i h ALA 183 Cb 0.54 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.20 2j5i h ALA 183 CO -0.35 0.21 0.50 1.49 0.00 0.00 0.00 179.25 181.09 2j5i h GLU 184 N 0.05 0.72 0.00 0.00 4.22 -0.70 -1.80 114.58 117.06 2j5i h GLU 184 Ca 0.01 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.41 2j5i h GLU 184 Cb 0.82 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.91 2j5i h GLU 184 CO 0.06 0.47 0.00 -1.33 -2.18 0.00 0.00 179.01 176.03 2j5i n MET 185 N -4.79 0.18 -0.34 1.92 2.81 0.17 -4.91 117.12 112.16 2j5i n MET 185 Ca 0.17 0.27 0.00 0.00 -1.81 0.00 0.00 57.70 56.33 2j5i n MET 185 Cb 0.40 -1.76 0.00 0.00 -0.71 0.00 0.00 33.22 31.15 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 0.70 0.77 0.28 3.03 0.00 -0.68 -4.26 105.19 105.03 2j5i n GLY 186 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 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 0.88 -9.56 0.99 6.46 -1.41 -3.43 115.31 109.25 2j5i h LEU 187 Ca 0.00 -0.31 -0.59 0.00 -0.12 0.00 0.00 57.88 56.86 2j5i h LEU 187 Cb 0.00 -0.24 -0.13 0.00 -0.73 0.00 0.00 40.66 39.56 2j5i h LEU 187 CO 0.00 1.04 -0.60 0.68 -0.62 0.00 0.00 178.44 178.94 2j5i s VAL 188 N -4.70 1.74 0.10 1.05 -7.23 -1.20 -4.91 120.40 105.26 2j5i s VAL 188 Ca -0.10 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 57.98 2j5i s VAL 188 Cb 0.13 -2.91 -0.21 0.00 0.56 0.00 0.00 36.38 33.94 2j5i s VAL 188 CO 0.85 0.00 1.24 0.78 -0.31 0.00 0.00 175.10 177.65 2j5i h ASN 189 N 1.85 0.70 -4.90 4.85 4.21 -1.18 -3.42 115.58 117.68 2j5i h ASN 189 Ca -0.43 -0.58 -0.06 0.00 1.21 0.00 0.00 56.30 56.44 2j5i h ASN 189 Cb 1.24 -0.22 -0.19 0.00 -1.12 0.00 0.00 38.32 38.04 2j5i h ASN 189 CO 0.78 1.38 0.17 -0.70 -1.29 0.00 0.00 177.43 177.77 2j5i s GLU 190 N -3.23 1.03 -0.06 0.81 2.12 -1.19 -4.98 118.70 113.19 2j5i s GLU 190 Ca -0.07 0.32 0.05 0.00 0.36 0.00 0.00 54.97 55.63 2j5i s GLU 190 Cb 0.08 0.49 -0.01 0.00 0.26 0.00 0.00 34.13 34.95 2j5i s GLU 190 CO 0.89 -0.30 -0.23 0.45 -0.54 0.00 0.00 175.26 175.53 2j5i s SER 191 N -1.04 2.79 0.15 -1.70 0.15 -1.26 -1.36 113.70 111.42 2j5i s SER 191 Ca -0.10 -0.47 0.01 0.00 0.70 0.00 0.00 55.95 56.09 2j5i s SER 191 Cb -0.01 -0.80 -0.04 0.00 -1.71 0.00 0.00 66.02 63.46 2j5i s SER 191 CO 0.09 0.21 0.01 0.68 1.20 0.00 0.00 173.24 175.43 2j5i s VAL 192 N -0.07 0.49 0.34 4.45 -7.23 -0.34 -4.81 120.40 113.22 2j5i s VAL 192 Ca -0.04 -1.94 -0.29 0.00 -1.81 0.00 0.00 61.98 57.90 2j5i s VAL 192 Cb -0.13 -2.01 -0.12 0.00 0.56 0.00 0.00 36.38 34.67 2j5i s VAL 192 CO 0.03 -0.55 1.39 -2.65 -0.31 0.00 0.00 175.10 173.02 2j5i n PRO 193 N -0.16 2.34 -0.33 4.82 -0.02 -1.26 -0.02 135.00 140.37 2j5i n PRO 193 Ca -0.07 0.82 0.25 0.00 -2.02 0.00 0.00 63.50 62.48 2j5i n PRO 193 Cb 0.63 -2.47 0.49 0.00 -0.02 0.00 0.00 33.50 32.12 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 3.06 0.44 -2.37 2.45 5.85 -1.90 0.64 115.31 123.48 2j5i h LEU 194 Ca -0.47 0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.47 2j5i h LEU 194 Cb 1.26 0.17 -0.00 0.00 0.37 0.00 0.00 40.66 42.47 2j5i h LEU 194 CO 0.66 -0.20 0.06 0.00 -0.34 0.00 0.00 178.44 178.61 2j5i h ALA 195 N 1.88 1.64 -0.01 1.25 0.00 -2.01 -1.88 119.26 120.12 2j5i h ALA 195 Ca 0.75 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.66 2j5i h ALA 195 Cb 1.76 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.56 2j5i h ALA 195 CO -0.65 -0.08 -0.36 1.04 0.00 0.00 0.00 179.25 179.20 2j5i n GLN 196 N -3.88 1.51 -0.04 0.00 3.00 0.18 -4.72 117.38 113.44 2j5i n GLN 196 Ca -0.02 -0.96 -0.09 0.00 -0.01 0.00 0.00 57.00 55.93 2j5i n GLN 196 Cb 0.15 -1.36 -0.03 0.00 0.00 0.00 0.00 30.24 29.00 2j5i n GLN 196 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 2j5i h LEU 197 N 2.21 -0.02 -0.08 1.08 5.85 -0.96 -1.33 115.31 122.07 2j5i h LEU 197 Ca 0.00 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 2j5i h LEU 197 Cb 0.65 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.73 2j5i h LEU 197 CO 0.00 0.02 0.03 -0.09 -0.34 0.00 0.00 178.44 178.05 2j5i h ARG 198 N 0.09 0.11 -0.33 1.25 2.43 -1.85 -0.55 114.38 115.55 2j5i h ARG 198 Ca 0.09 -0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.31 2j5i h ARG 198 Cb 0.09 -0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 29.54 2j5i h ARG 198 CO -0.13 0.24 -0.27 0.93 -1.51 0.00 0.00 179.97 179.24 2j5i h GLU 199 N -0.04 -0.23 -0.63 0.20 5.08 -1.83 0.20 114.58 117.32 2j5i h GLU 199 Ca 0.02 0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 2j5i h GLU 199 Cb 0.17 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 2j5i h GLU 199 CO -0.00 -0.15 0.10 0.28 -1.00 0.00 0.00 179.01 178.24 2j5i h VAL 200 N -0.24 1.26 -0.45 3.13 2.07 -1.11 -1.02 116.25 119.89 2j5i h VAL 200 Ca 0.16 -1.01 -0.07 0.00 0.82 0.00 0.00 66.70 66.60 2j5i h VAL 200 Cb 0.49 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 2j5i h VAL 200 CO -0.46 0.38 0.01 0.74 0.02 0.00 0.00 177.57 178.25 2j5i h THR 201 N 0.97 1.26 -0.86 2.57 2.02 -0.48 -2.37 112.91 116.02 2j5i h THR 201 Ca 0.19 -1.03 -0.03 0.00 0.77 0.00 0.00 66.41 66.32 2j5i h THR 201 Cb 0.42 1.03 -0.04 0.00 -1.74 0.00 0.00 68.15 67.83 2j5i h THR 201 CO 0.01 0.35 0.43 0.40 0.37 0.00 0.00 175.52 177.09 2j5i h ILE 202 N 0.64 1.26 -0.65 3.11 2.04 -0.12 -0.25 117.51 123.53 2j5i h ILE 202 Ca 0.13 -0.69 0.03 0.00 1.00 0.00 0.00 64.86 65.32 2j5i h ILE 202 Cb 0.48 0.14 -0.04 0.00 -0.74 0.00 0.00 36.82 36.66 2j5i h ILE 202 CO 0.02 0.30 0.41 -0.33 0.00 0.00 0.00 178.15 178.55 2j5i h GLU 203 N 1.21 0.78 -0.54 2.37 5.08 -1.03 -0.07 114.58 122.38 2j5i h GLU 203 Ca 0.30 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.54 2j5i h GLU 203 Cb 0.09 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 2j5i h GLU 203 CO -0.04 0.51 0.06 1.25 -1.00 0.00 0.00 179.01 179.79 2j5i h LEU 204 N 0.80 0.88 -0.76 1.33 5.85 -1.18 -2.49 115.31 119.75 2j5i h LEU 204 Ca 0.26 -0.28 -0.08 0.00 0.84 0.00 0.00 57.88 58.62 2j5i h LEU 204 Cb 0.02 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 2j5i h LEU 204 CO -0.10 0.94 0.01 0.00 -0.34 0.00 0.00 178.44 178.95 2j5i h ALA 205 N 0.97 0.96 -0.52 1.25 0.00 -0.57 -1.91 119.26 119.44 2j5i h ALA 205 Ca 0.16 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 2j5i h ALA 205 Cb 0.45 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2j5i h ALA 205 CO 0.02 0.63 0.01 0.00 0.00 0.00 0.00 179.25 179.91 2j5i h ARG 206 N 0.89 0.86 -0.30 0.00 3.08 -0.94 -0.49 114.38 117.49 2j5i h ARG 206 Ca 0.17 -0.24 0.04 0.00 0.07 0.00 0.00 59.98 60.02 2j5i h ARG 206 Cb 0.50 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.42 2j5i h ARG 206 CO 0.02 0.85 0.09 -0.97 -1.07 0.00 0.00 179.97 178.89 2j5i h ASN 207 N 0.81 0.07 -0.21 7.04 -1.24 -0.96 -2.67 115.58 118.42 2j5i h ASN 207 Ca 0.16 0.04 -0.06 0.00 0.71 0.00 0.00 56.30 57.14 2j5i h ASN 207 Cb 0.46 0.04 -0.02 0.00 0.73 0.00 0.00 38.32 39.53 2j5i h ASN 207 CO 0.02 0.08 -0.06 -0.07 -1.29 0.00 0.00 177.43 176.10 2j5i h LEU 208 N 0.21 0.52 -2.20 0.34 3.38 -0.89 -2.33 115.31 114.35 2j5i h LEU 208 Ca 0.14 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2j5i h LEU 208 Cb 0.12 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 2j5i h LEU 208 CO -0.16 0.64 -0.05 -0.07 0.09 0.00 0.00 178.44 178.89 2j5i h LEU 209 N 0.52 0.00 -0.81 1.67 3.38 -0.78 -2.30 115.31 116.99 2j5i h LEU 209 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2j5i h LEU 209 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2j5i h LEU 209 CO 0.02 0.05 0.00 -0.33 0.09 0.00 0.00 178.44 178.27 2j5i h GLU 210 N 0.00 0.00 -7.25 1.13 5.08 -1.12 -3.46 114.58 108.97 2j5i h GLU 210 Ca -0.00 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.87 2j5i h GLU 210 Cb 0.24 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.52 2j5i h GLU 210 CO 0.01 0.00 0.39 0.15 -1.00 0.00 0.00 179.01 178.56 2j5i s LYS 211 N -3.45 3.77 -0.12 2.33 -0.14 -0.87 -5.00 119.74 116.25 2j5i s LYS 211 Ca 0.04 0.91 -0.29 0.00 -1.36 0.00 0.00 55.97 55.27 2j5i s LYS 211 Cb 0.08 -2.11 -0.03 0.00 -1.68 0.00 0.00 37.83 34.09 2j5i s LYS 211 CO 0.58 -0.43 1.47 1.21 -0.76 0.00 0.00 175.35 177.43 2j5i s ASN 212 N -3.40 6.76 0.37 2.83 3.84 -1.26 -4.91 114.94 119.17 2j5i s ASN 212 Ca 0.58 1.92 0.05 0.00 0.21 0.00 0.00 52.86 55.62 2j5i s ASN 212 Cb -0.11 -2.54 0.73 0.00 -0.55 0.00 0.00 41.25 38.79 2j5i s ASN 212 CO 0.39 -0.88 2.00 1.55 -2.79 0.00 0.00 177.10 177.37 2j5i h PRO 213 N 9.05 0.72 -0.54 0.43 0.13 -1.93 0.65 132.00 140.50 2j5i h PRO 213 Ca -0.33 -0.04 -0.11 0.00 -0.87 0.00 0.00 66.00 64.65 2j5i h PRO 213 Cb 1.14 -0.16 -0.02 0.00 0.13 0.00 0.00 31.00 32.09 2j5i h PRO 213 CO 0.97 0.48 -0.10 0.28 -0.23 0.00 0.00 178.00 179.40 2j5i h VAL 214 N 0.75 1.27 -0.22 1.56 2.07 -1.92 -1.06 116.25 118.68 2j5i h VAL 214 Ca 0.25 -1.26 -0.08 0.00 0.82 0.00 0.00 66.70 66.43 2j5i h VAL 214 Cb 0.06 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 2j5i h VAL 214 CO -0.07 0.44 -0.18 0.58 0.02 0.00 0.00 177.57 178.37 2j5i h VAL 215 N 0.90 1.32 -0.76 2.57 2.07 -1.80 -1.69 116.25 118.86 2j5i h VAL 215 Ca 0.14 -1.31 -0.00 0.00 0.82 0.00 0.00 66.70 66.35 2j5i h VAL 215 Cb 0.67 1.68 -0.04 0.00 -1.52 0.00 0.00 31.29 32.08 2j5i h VAL 215 CO 0.05 0.40 0.46 0.25 0.02 0.00 0.00 177.57 178.75 2j5i h LEU 216 N 0.20 0.91 -0.04 2.57 6.46 -0.77 0.12 115.31 124.78 2j5i h LEU 216 Ca 0.04 -0.05 -0.00 0.00 -0.12 0.00 0.00 57.88 57.75 2j5i h LEU 216 Cb 0.71 -0.23 -0.00 0.00 -0.73 0.00 0.00 40.66 40.41 2j5i h LEU 216 CO 0.05 0.70 0.02 -0.09 -0.62 0.00 0.00 178.44 178.49 2j5i h ARG 217 N 1.05 0.05 -0.97 1.25 2.43 -1.14 -0.83 114.38 116.23 2j5i h ARG 217 Ca 0.27 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.48 2j5i h ARG 217 Cb -0.04 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.44 2j5i h ARG 217 CO -0.05 0.17 0.63 0.00 -1.51 0.00 0.00 179.97 179.21 2j5i h ALA 218 N 0.88 1.29 -0.05 2.80 0.00 -0.89 -1.16 119.26 122.12 2j5i h ALA 218 Ca 0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2j5i h ALA 218 Cb 0.13 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 2j5i h ALA 218 CO -0.00 0.50 0.00 0.00 0.00 0.00 0.00 179.25 179.75 2j5i h ALA 219 N 1.40 0.07 0.39 0.00 0.00 -0.68 -1.47 119.26 118.97 2j5i h ALA 219 Ca 0.39 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2j5i h ALA 219 Cb 0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2j5i h ALA 219 CO -0.13 -0.26 -0.39 -0.22 0.00 0.00 0.00 179.25 178.25 2j5i h LYS 220 N -0.20 -0.77 -0.20 0.00 3.64 -1.09 -1.83 116.57 116.12 2j5i h LYS 220 Ca 0.01 0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.40 2j5i h LYS 220 Cb 0.33 0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 2j5i h LYS 220 CO 0.00 -0.51 -0.06 0.45 -2.27 0.00 0.00 179.45 177.06 2j5i h HIS 221 N -0.80 0.46 -0.55 1.91 3.86 -1.28 -2.33 115.15 116.42 2j5i h HIS 221 Ca -0.03 -0.10 0.10 0.00 -1.16 0.00 0.00 60.37 59.17 2j5i h HIS 221 Cb 0.72 -0.11 -0.08 0.00 1.06 0.00 0.00 27.41 29.00 2j5i h HIS 221 CO -0.22 0.66 0.12 0.78 0.86 0.00 0.00 177.93 180.14 2j5i h GLY 222 N 0.12 0.70 0.95 2.45 0.00 -1.27 -0.77 103.07 105.24 2j5i h GLY 222 Ca 0.05 -0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.34 2j5i h GLY 222 CO 0.02 -0.08 0.07 -2.75 0.00 0.00 0.00 176.54 173.80 2j5i h PHE 223 N 0.26 0.17 -0.51 5.60 3.04 -1.19 0.36 116.94 124.66 2j5i h PHE 223 Ca 0.28 -0.00 -0.08 0.00 3.98 0.00 0.00 57.97 62.15 2j5i h PHE 223 Cb 0.40 -0.05 -0.02 0.00 2.56 0.00 0.00 35.95 38.83 2j5i h PHE 223 CO -0.23 0.17 -0.00 0.87 -2.02 0.00 0.00 178.31 177.09 2j5i h LYS 224 N 0.12 0.86 -0.25 1.11 1.57 -0.90 -2.72 116.57 116.35 2j5i h LYS 224 Ca 0.04 -0.24 -0.17 0.00 -1.87 0.00 0.00 60.65 58.41 2j5i h LYS 224 Cb 0.05 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 2j5i h LYS 224 CO -0.01 0.86 -0.51 -0.09 -0.57 0.00 0.00 179.45 179.13 2j5i h ARG 225 N 0.80 0.72 0.00 3.15 9.65 -1.11 -3.26 114.38 124.33 2j5i h ARG 225 Ca 0.15 -0.44 -0.01 0.00 -1.10 0.00 0.00 59.98 58.58 2j5i h ARG 225 Cb 0.48 0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 29.10 2j5i h ARG 225 CO 0.02 1.06 -0.07 0.00 2.80 0.00 0.00 179.97 183.78 2j5i h ARG 227 N 0.00 0.00 0.00 0.00 3.08 -1.59 -1.77 114.38 114.10 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 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 2j5i h ARG 227 CO 0.01 0.00 -0.50 0.39 -1.07 0.00 0.00 179.97 178.79 2j5i n GLU 228 N -4.34 0.06 -4.30 0.04 1.02 -0.66 -4.93 120.64 107.53 2j5i n GLU 228 Ca 0.02 0.01 -0.28 0.00 -0.02 0.00 0.00 57.16 56.90 2j5i n GLU 228 Cb 0.30 -1.53 -0.10 0.00 -0.02 0.00 0.00 31.44 30.09 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 -3.23 2.87 0.89 -4.62 1.02 -0.67 -5.13 118.68 109.82 2j5i s LEU 229 Ca 0.10 -0.58 -0.13 0.00 0.02 0.00 0.00 54.13 53.55 2j5i s LEU 229 Cb 0.17 -1.61 0.13 0.00 0.02 0.00 0.00 46.19 44.90 2j5i s LEU 229 CO 0.70 0.13 1.16 0.42 0.02 0.00 0.00 176.35 178.77 2j5i s THR 230 N -1.53 1.99 0.14 5.49 -4.23 -1.26 -4.78 115.64 111.46 2j5i s THR 230 Ca 0.23 0.00 -0.18 0.00 -1.18 0.00 0.00 61.69 60.56 2j5i s THR 230 Cb -0.09 -2.83 -0.02 0.00 1.34 0.00 0.00 72.50 70.90 2j5i s THR 230 CO 0.13 0.00 1.78 -0.50 -0.54 0.00 0.00 174.62 175.49 2j5i h TRP 231 N -1.41 0.30 -0.63 3.99 4.06 -1.98 -0.06 115.95 120.22 2j5i h TRP 231 Ca -0.49 0.01 -0.00 0.00 2.06 0.00 0.00 58.89 60.47 2j5i h TRP 231 Cb 1.33 -0.09 -0.03 0.00 -1.00 0.00 0.00 29.16 29.36 2j5i h TRP 231 CO 0.17 0.17 0.39 0.93 -3.56 0.00 0.00 178.44 176.54 2j5i h GLU 232 N 0.33 0.86 -0.86 0.49 3.07 -2.01 -1.27 114.58 115.19 2j5i h GLU 232 Ca 0.12 -0.07 0.05 0.00 -0.50 0.00 0.00 59.36 58.96 2j5i h GLU 232 Cb 0.01 -0.18 -0.06 0.00 -0.84 0.00 0.00 28.75 27.68 2j5i h GLU 232 CO -0.06 0.60 0.54 1.96 -1.40 0.00 0.00 179.01 180.65 2j5i h GLN 233 N 0.86 0.98 0.00 2.33 4.20 -1.88 -3.06 115.11 118.55 2j5i h GLN 233 Ca 0.23 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.81 2j5i h GLN 233 Cb -0.04 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.51 2j5i h GLN 233 CO -0.04 0.65 -0.34 -0.91 -0.67 0.00 0.00 178.83 177.52 2j5i h ASN 234 N 1.01 0.00 -0.19 1.46 2.35 -0.41 -0.55 115.58 119.25 2j5i h ASN 234 Ca 0.36 0.00 0.03 0.00 -0.55 0.00 0.00 56.30 56.15 2j5i h ASN 234 Cb 0.11 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.45 2j5i h ASN 234 CO -0.15 0.34 -0.01 -0.08 -1.65 0.00 0.00 177.43 175.87 2j5i h GLU 235 N 0.00 0.05 0.49 0.81 4.81 -1.14 0.53 114.58 120.12 2j5i h GLU 235 Ca -0.00 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 2j5i h GLU 235 Cb 0.74 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.12 2j5i h GLU 235 CO 0.04 0.03 -0.24 0.22 -0.73 0.00 0.00 179.01 178.34 2j5i h ASP 236 N 0.05 -0.56 -0.02 1.04 3.58 -1.53 -2.98 116.42 115.99 2j5i h ASP 236 Ca 0.09 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.47 2j5i h ASP 236 Cb 0.12 0.14 -0.00 0.00 1.72 0.00 0.00 39.33 41.31 2j5i h ASP 236 CO -0.16 -0.24 0.01 0.22 -2.88 0.00 0.00 179.24 176.19 2j5i h TYR 237 N -0.90 0.03 -0.31 0.28 5.03 -0.97 -1.77 116.97 118.36 2j5i h TYR 237 Ca -0.07 0.00 -0.08 0.00 2.58 0.00 0.00 58.73 61.16 2j5i h TYR 237 Cb 0.59 -0.01 -0.02 0.00 1.55 0.00 0.00 36.73 38.85 2j5i h TYR 237 CO 0.00 0.04 -0.16 -0.07 -1.32 0.00 0.00 178.16 176.65 2j5i h LEU 238 N 0.01 0.55 -0.68 2.82 3.38 -0.05 0.34 115.31 121.68 2j5i h LEU 238 Ca 0.01 -0.16 -0.14 0.00 0.09 0.00 0.00 57.88 57.68 2j5i h LEU 238 Cb 0.02 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2j5i h LEU 238 CO -0.00 0.73 -0.53 1.88 0.09 0.00 0.00 178.44 180.61 2j5i h TYR 239 N 0.51 0.44 -0.36 1.13 0.99 -1.50 -1.54 116.97 116.63 2j5i h TYR 239 Ca 0.09 -0.15 -0.09 0.00 2.00 0.00 0.00 58.73 60.58 2j5i h TYR 239 Cb 0.57 -0.08 -0.02 0.00 1.00 0.00 0.00 36.73 38.20 2j5i h TYR 239 CO 0.02 0.81 -0.14 0.00 -0.00 0.00 0.00 178.16 178.85 2j5i h ALA 240 N 1.16 1.08 -0.52 3.88 0.00 -0.55 0.27 119.26 124.59 2j5i h ALA 240 Ca 0.01 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.51 2j5i h ALA 240 Cb 1.02 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 2j5i h ALA 240 CO 0.09 0.56 -0.08 0.87 0.00 0.00 0.00 179.25 180.70 2j5i h LYS 241 N 0.58 0.94 -0.28 0.00 1.79 -0.83 0.65 116.57 119.43 2j5i h LYS 241 Ca 0.10 -0.32 -0.02 0.00 -2.18 0.00 0.00 60.65 58.23 2j5i h LYS 241 Cb 0.58 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.14 2j5i h LYS 241 CO 0.04 0.98 0.10 1.25 -1.08 0.00 0.00 179.45 180.74 2j5i h LEU 242 N 0.85 0.39 -0.39 2.94 7.12 -0.91 -0.98 115.31 124.33 2j5i h LEU 242 Ca 0.14 -0.18 -0.10 0.00 0.13 0.00 0.00 57.88 57.87 2j5i h LEU 242 Cb 0.61 -0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 40.62 2j5i h LEU 242 CO 0.04 0.46 -0.15 0.44 -0.13 0.00 0.00 178.44 179.10 2j5i h ASP 243 N 0.29 0.81 -0.87 1.25 3.32 -0.75 -2.01 116.42 118.46 2j5i h ASP 243 Ca 0.09 -0.39 0.12 0.00 0.02 0.00 0.00 57.03 56.87 2j5i h ASP 243 Cb 0.20 -0.22 -0.08 0.00 0.22 0.00 0.00 39.33 39.45 2j5i h ASP 243 CO -0.01 1.02 0.49 -0.61 -1.72 0.00 0.00 179.24 178.42 2j5i h GLN 244 N 0.60 0.76 -0.38 3.56 4.15 -0.82 -0.54 115.11 122.43 2j5i h GLN 244 Ca 0.09 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.47 2j5i h GLN 244 Cb 0.69 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 28.19 2j5i h GLN 244 CO 0.05 0.50 0.23 1.03 -1.93 0.00 0.00 178.83 178.72 2j5i h SER 245 N 0.78 0.46 -0.26 -0.69 0.87 -0.84 -1.82 113.55 112.05 2j5i h SER 245 Ca 0.44 -0.05 -0.06 0.00 -1.23 0.00 0.00 61.79 60.89 2j5i h SER 245 Cb 0.48 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.31 2j5i h SER 245 CO -0.29 0.37 -0.01 0.03 -0.53 0.00 0.00 176.83 176.41 2j5i h ARG 246 N 0.51 0.58 -0.03 2.24 3.08 -0.57 -1.43 114.38 118.76 2j5i h ARG 246 Ca 0.14 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 2j5i h ARG 246 Cb -0.00 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 29.96 2j5i h ARG 246 CO -0.03 0.61 -0.01 1.25 -1.07 0.00 0.00 179.97 180.73 2j5i h LEU 247 N 0.55 0.06 0.00 3.04 5.85 -0.91 -3.34 115.31 120.57 2j5i h LEU 247 Ca 0.12 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.47 2j5i h LEU 247 Cb 0.37 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.38 2j5i h LEU 247 CO 0.01 0.41 -0.25 0.18 -0.34 0.00 0.00 178.44 178.45 2j5i n LEU 248 N -4.87 0.59 0.00 2.25 4.77 -0.70 -5.11 117.00 113.92 2j5i n LEU 248 Ca -0.08 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 2j5i n LEU 248 Cb 0.21 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 2j5i n LEU 248 CO 0.34 -0.07 0.00 -0.67 -1.33 0.00 0.00 177.39 175.66