#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j2i h LEU 34 N 0.00 0.90 -0.52 1.53 -0.00 -1.98 -3.05 115.31 112.19 2j2i h LEU 34 Ca 0.00 -0.00 -0.16 0.00 -0.00 0.00 0.00 57.88 57.71 2j2i h LEU 34 Cb 0.00 -0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 40.45 2j2i h LEU 34 CO 0.00 0.60 -0.57 -0.33 -0.00 0.00 0.00 178.44 178.14 2j2i h GLU 35 N 1.03 0.51 0.00 0.17 3.07 -2.06 -1.83 114.58 115.48 2j2i h GLU 35 Ca 0.35 -0.33 -0.11 0.00 -0.50 0.00 0.00 59.36 58.77 2j2i h GLU 35 Cb 0.09 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.03 2j2i h GLU 35 CO -0.11 0.94 -0.90 0.66 -1.40 0.00 0.00 179.01 178.20 2j2i h SER 36 N 0.39 0.00 1.75 1.42 4.64 -2.05 -3.35 113.55 116.35 2j2i h SER 36 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2j2i h SER 36 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 2j2i h SER 36 CO 0.10 0.43 -0.17 -0.61 -0.87 0.00 0.00 176.83 175.72 2j2i h GLN 37 N 0.00 0.00 -4.03 4.77 4.15 -1.38 -3.46 115.11 115.16 2j2i h GLN 37 Ca -0.07 0.00 -0.38 0.00 0.77 0.00 0.00 58.65 58.97 2j2i h GLN 37 Cb 1.39 0.00 -0.33 0.00 0.21 0.00 0.00 27.48 28.75 2j2i h GLN 37 CO 0.04 0.00 -0.77 0.71 -1.93 0.00 0.00 178.83 176.89 2j2i s TYR 38 N -3.22 0.63 -0.29 3.99 2.02 -0.71 -2.06 117.35 117.72 2j2i s TYR 38 Ca 0.06 -0.15 -0.24 0.00 -0.37 0.00 0.00 57.07 56.38 2j2i s TYR 38 Cb 0.07 -0.56 -0.00 0.00 -0.40 0.00 0.00 41.96 41.07 2j2i s TYR 38 CO 0.68 -0.14 0.81 -1.14 -1.57 0.00 0.00 175.55 174.18 2j2i s GLN 39 N 0.74 4.04 -0.06 -0.62 -0.44 -0.44 -4.76 119.66 118.12 2j2i s GLN 39 Ca -0.09 0.71 -0.20 0.00 -2.50 0.00 0.00 55.36 53.28 2j2i s GLN 39 Cb -0.12 -3.70 -0.04 0.00 -1.64 0.00 0.00 33.01 27.50 2j2i s GLN 39 CO -0.00 -0.63 0.58 0.08 0.50 0.00 0.00 175.29 175.82 2j2i s VAL 40 N 2.93 5.06 0.00 1.34 1.01 -1.26 -1.50 120.40 127.98 2j2i s VAL 40 Ca 0.33 1.19 0.00 0.00 0.00 0.00 0.00 61.98 63.50 2j2i s VAL 40 Cb -0.14 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.32 2j2i s VAL 40 CO 0.11 0.34 0.00 0.61 0.00 0.00 0.00 175.10 176.16 2j2i n GLY 41 N 2.93 4.06 3.78 4.51 0.00 0.11 -4.98 105.19 115.60 2j2i n GLY 41 Ca -0.05 -1.93 -0.31 0.00 0.00 0.00 0.00 46.02 43.72 2j2i n GLY 41 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2j2i s PRO 42 N 2.58 2.46 0.12 1.61 0.04 -1.26 -4.47 135.00 136.09 2j2i s PRO 42 Ca 0.00 1.18 -0.31 0.00 0.04 0.00 0.00 61.00 61.90 2j2i s PRO 42 Cb 0.00 -1.92 -0.10 0.00 0.04 0.00 0.00 34.50 32.52 2j2i s PRO 42 CO 0.00 -1.49 1.74 -1.17 0.04 0.00 0.00 177.00 176.12 2j2i s LEU 43 N -5.67 4.38 -0.01 -3.56 2.96 -1.26 -1.12 118.68 114.40 2j2i s LEU 43 Ca 0.62 2.69 0.02 0.00 -0.22 0.00 0.00 54.13 57.23 2j2i s LEU 43 Cb -0.17 -3.57 -0.26 0.00 0.50 0.00 0.00 46.19 42.69 2j2i s LEU 43 CO 0.53 -0.95 0.79 -0.07 -1.32 0.00 0.00 176.35 175.33 2j2i h LEU 44 N 8.18 0.25 0.00 -0.68 3.38 -0.29 -3.46 115.31 122.70 2j2i h LEU 44 Ca -0.44 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.13 2j2i h LEU 44 Cb 1.21 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2j2i h LEU 44 CO 0.94 1.34 0.00 0.61 0.09 0.00 0.00 178.44 181.42 2j2i n GLY 45 N 1.65 0.52 3.24 0.83 0.00 -1.03 -5.01 105.19 105.38 2j2i n GLY 45 Ca -0.17 -0.85 -0.09 0.00 0.00 0.00 0.00 46.02 44.91 2j2i n GLY 45 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2j2i s SER 46 N 0.00 0.02 0.00 1.61 1.04 -1.26 -0.96 113.70 114.14 2j2i s SER 46 Ca 0.00 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 55.87 2j2i s SER 46 Cb 0.00 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.50 2j2i s SER 46 CO 0.00 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 174.06 2j2i n GLY 47 N -0.11 -0.70 0.35 7.32 0.00 -0.21 -4.97 105.19 106.87 2j2i n GLY 47 Ca -0.15 -0.42 0.17 0.00 0.00 0.00 0.00 46.02 45.62 2j2i n GLY 47 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2j2i h GLY 48 N 0.00 0.00 0.79 -0.02 0.00 -2.03 -0.91 103.07 100.91 2j2i h GLY 48 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2j2i h GLY 48 CO 0.00 0.00 -0.00 1.97 0.00 0.00 0.00 176.54 178.51 2j2i n PHE 49 N -4.10 0.00 -0.32 5.60 1.16 -1.26 -5.04 117.46 113.50 2j2i n PHE 49 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.62 2j2i n PHE 49 Cb 0.42 -0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.28 2j2i n PHE 49 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2j2i n GLY 50 N 1.03 0.63 3.11 4.97 0.00 -0.35 -4.78 105.19 109.80 2j2i n GLY 50 Ca 0.23 -1.65 -0.28 0.00 0.00 0.00 0.00 46.02 44.32 2j2i n GLY 50 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2j2i s SER 51 N -4.00 2.39 -0.13 1.61 0.01 -0.52 -1.05 113.70 112.02 2j2i s SER 51 Ca 0.00 -0.42 0.03 0.00 1.31 0.00 0.00 55.95 56.87 2j2i s SER 51 Cb 0.00 -1.10 0.00 0.00 0.21 0.00 0.00 66.02 65.13 2j2i s SER 51 CO 0.00 0.09 -0.21 -0.69 0.41 0.00 0.00 173.24 172.84 2j2i s VAL 52 N 0.52 2.18 0.06 3.43 1.01 -0.14 -0.79 120.40 126.67 2j2i s VAL 52 Ca -0.17 -0.95 0.05 0.00 0.00 0.00 0.00 61.98 60.92 2j2i s VAL 52 Cb -0.17 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 2j2i s VAL 52 CO 0.06 0.55 -0.09 -0.31 0.00 0.00 0.00 175.10 175.31 2j2i s TYR 53 N 0.62 2.80 0.47 5.22 2.02 0.11 0.49 117.35 129.08 2j2i s TYR 53 Ca -0.11 -0.11 -0.23 0.00 -0.37 0.00 0.00 57.07 56.25 2j2i s TYR 53 Cb -0.16 -1.51 -0.07 0.00 -0.40 0.00 0.00 41.96 39.81 2j2i s TYR 53 CO 0.03 0.39 1.17 0.45 -1.57 0.00 0.00 175.55 176.02 2j2i s SER 54 N -1.85 6.07 0.28 2.29 0.15 -0.27 -0.22 113.70 120.14 2j2i s SER 54 Ca 0.20 2.32 -0.13 0.00 0.70 0.00 0.00 55.95 59.03 2j2i s SER 54 Cb -0.11 -2.60 0.01 0.00 -1.71 0.00 0.00 66.02 61.60 2j2i s SER 54 CO 0.11 -0.99 0.55 -0.83 1.20 0.00 0.00 173.24 173.29 2j2i s GLY 55 N -1.37 0.51 -0.03 9.45 0.00 -0.03 0.08 107.32 115.93 2j2i s GLY 55 Ca 0.65 -0.83 0.00 0.00 0.00 0.00 0.00 44.72 44.54 2j2i s GLY 55 CO 0.35 -0.54 -0.00 -0.42 0.00 0.00 0.00 173.10 172.49 2j2i s ILE 56 N -3.74 0.22 -0.18 0.90 1.09 -0.56 -0.94 121.20 117.98 2j2i s ILE 56 Ca 0.21 0.07 -0.29 0.00 -1.10 0.00 0.00 60.65 59.53 2j2i s ILE 56 Cb -0.02 -0.32 -0.02 0.00 -1.06 0.00 0.00 42.46 41.04 2j2i s ILE 56 CO 0.10 0.16 1.42 -0.60 -0.10 0.00 0.00 174.94 175.92 2j2i s ARG 57 N 1.08 4.08 0.31 2.79 3.52 0.82 -1.33 118.95 130.21 2j2i s ARG 57 Ca -0.09 1.69 0.01 0.00 -0.13 0.00 0.00 55.73 57.21 2j2i s ARG 57 Cb -0.14 -3.88 0.56 0.00 -1.56 0.00 0.00 34.95 29.93 2j2i s ARG 57 CO -0.02 -0.93 1.93 0.28 -0.81 0.00 0.00 175.30 175.75 2j2i h VAL 58 N 5.73 1.08 -0.64 7.11 2.07 -1.74 0.56 116.25 130.41 2j2i h VAL 58 Ca -0.30 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 2j2i h VAL 58 Cb 1.13 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 2j2i h VAL 58 CO 0.99 0.18 0.37 0.77 0.02 0.00 0.00 177.57 179.89 2j2i h SER 59 N 0.99 0.78 0.00 0.57 4.64 -1.91 -3.33 113.55 115.29 2j2i h SER 59 Ca 0.36 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 2j2i h SER 59 Cb 0.17 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 2j2i h SER 59 CO -0.13 0.63 -0.24 -0.90 -0.87 0.00 0.00 176.83 175.32 2j2i n ASP 60 N -4.57 0.60 -2.45 4.97 3.85 -1.13 -5.02 116.55 112.80 2j2i n ASP 60 Ca 0.05 -1.94 -0.15 0.00 -0.71 0.00 0.00 54.79 52.04 2j2i n ASP 60 Cb 0.07 -0.17 -0.01 0.00 -1.35 0.00 0.00 41.12 39.66 2j2i n ASP 60 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 2j2i n ASN 61 N -0.30 -4.44 -4.71 -1.12 3.02 0.19 -4.94 115.26 102.96 2j2i n ASN 61 Ca 0.03 0.13 -0.42 0.00 -0.03 0.00 0.00 54.58 54.28 2j2i n ASN 61 Cb 0.60 -3.74 -0.03 0.00 -0.61 0.00 0.00 39.78 36.00 2j2i n ASN 61 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2j2i s LEU 62 N -5.75 4.37 0.20 3.41 2.96 -1.19 -4.67 118.68 118.01 2j2i s LEU 62 Ca 0.01 2.43 -0.31 0.00 -0.22 0.00 0.00 54.13 56.04 2j2i s LEU 62 Cb -0.01 -3.59 -0.09 0.00 0.50 0.00 0.00 46.19 43.00 2j2i s LEU 62 CO 0.01 -0.72 1.44 -2.84 -1.32 0.00 0.00 176.35 172.92 2j2i s PRO 63 N 1.19 4.28 0.20 0.98 0.02 -1.26 -0.13 135.00 140.28 2j2i s PRO 63 Ca 0.67 2.24 0.00 0.00 0.02 0.00 0.00 61.00 63.93 2j2i s PRO 63 Cb -0.39 -3.16 -0.04 0.00 0.02 0.00 0.00 34.50 30.92 2j2i s PRO 63 CO 0.30 -0.45 0.08 0.14 -0.33 0.00 0.00 177.00 176.75 2j2i s VAL 64 N 0.50 0.29 -0.03 3.83 -7.23 -0.12 -3.09 120.40 114.56 2j2i s VAL 64 Ca 0.63 -1.98 0.07 0.00 -1.81 0.00 0.00 61.98 58.89 2j2i s VAL 64 Cb -0.41 -2.37 -0.02 0.00 0.56 0.00 0.00 36.38 34.14 2j2i s VAL 64 CO 0.37 -0.18 -0.24 0.00 -0.31 0.00 0.00 175.10 174.74 2j2i s ALA 65 N -3.94 2.26 -0.27 1.32 0.00 0.35 -0.85 121.76 120.64 2j2i s ALA 65 Ca 0.33 -1.09 0.03 0.00 0.00 0.00 0.00 51.96 51.23 2j2i s ALA 65 Cb 0.07 -0.64 0.07 0.00 0.00 0.00 0.00 23.12 22.62 2j2i s ALA 65 CO 0.09 0.53 -0.07 0.42 0.00 0.00 0.00 175.76 176.73 2j2i s ILE 66 N -0.62 2.09 -0.20 0.00 1.01 0.69 -0.40 121.20 123.76 2j2i s ILE 66 Ca 0.10 -1.69 -0.06 0.00 0.00 0.00 0.00 60.65 59.00 2j2i s ILE 66 Cb -0.10 -2.27 -0.03 0.00 0.01 0.00 0.00 42.46 40.07 2j2i s ILE 66 CO -0.01 -0.14 0.02 -0.75 0.00 0.00 0.00 174.94 174.07 2j2i s LYS 67 N 1.11 3.68 -0.11 2.79 2.36 0.16 -0.71 119.74 129.02 2j2i s LYS 67 Ca -0.05 -0.49 -0.01 0.00 -2.55 0.00 0.00 55.97 52.87 2j2i s LYS 67 Cb -0.20 -3.13 -0.03 0.00 -1.05 0.00 0.00 37.83 33.42 2j2i s LYS 67 CO -0.06 0.03 -0.06 -1.01 1.55 0.00 0.00 175.35 175.80 2j2i s HIS 68 N 0.98 2.96 -0.02 4.03 3.76 0.03 -0.26 115.29 126.78 2j2i s HIS 68 Ca 0.02 -0.20 0.01 0.00 -0.15 0.00 0.00 55.06 54.74 2j2i s HIS 68 Cb -0.14 -1.83 0.01 0.00 1.11 0.00 0.00 32.58 31.73 2j2i s HIS 68 CO 0.02 0.11 -0.02 0.14 -0.85 0.00 0.00 174.74 174.14 2j2i s VAL 69 N -0.17 0.27 0.23 -0.90 -7.23 -0.58 -1.43 120.40 110.58 2j2i s VAL 69 Ca 0.02 -0.05 -0.30 0.00 -1.81 0.00 0.00 61.98 59.85 2j2i s VAL 69 Cb -0.13 -0.29 -0.09 0.00 0.56 0.00 0.00 36.38 36.43 2j2i s VAL 69 CO 0.03 0.12 1.28 -1.61 -0.31 0.00 0.00 175.10 174.61 2j2i s GLU 70 N 0.49 4.41 0.39 4.82 2.02 -1.26 -1.05 118.70 128.52 2j2i s GLU 70 Ca -0.05 2.05 0.09 0.00 0.02 0.00 0.00 54.97 57.08 2j2i s GLU 70 Cb -0.08 -3.17 0.85 0.00 0.10 0.00 0.00 34.13 31.83 2j2i s GLU 70 CO -0.01 -0.18 1.96 0.87 0.02 0.00 0.00 175.26 177.91 2j2i h LYS 71 N 4.83 0.60 0.00 1.61 1.57 -1.40 -1.49 116.57 122.30 2j2i h LYS 71 Ca -0.46 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.28 2j2i h LYS 71 Cb 1.22 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 33.39 2j2i h LYS 71 CO 0.74 0.40 -0.01 -0.44 -0.57 0.00 0.00 179.45 179.57 2j2i h ASP 72 N 0.62 0.00 0.01 0.86 3.32 -1.92 -2.37 116.42 116.94 2j2i h ASP 72 Ca 0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.37 2j2i h ASP 72 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 2j2i h ASP 72 CO -0.11 0.01 -0.10 0.54 -1.72 0.00 0.00 179.24 177.87 2j2i n ARG 73 N -3.13 1.78 -2.94 3.56 1.74 -0.56 -4.86 116.66 112.25 2j2i n ARG 73 Ca -0.01 -1.31 -0.43 0.00 -0.77 0.00 0.00 57.85 55.33 2j2i n ARG 73 Cb 0.21 -1.47 -0.05 0.00 -1.02 0.00 0.00 32.46 30.13 2j2i n ARG 73 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2j2i s ILE 74 N -2.12 4.55 0.00 0.55 1.01 -0.89 -4.91 121.20 119.38 2j2i s ILE 74 Ca 0.30 0.05 -0.12 0.00 0.00 0.00 0.00 60.65 60.88 2j2i s ILE 74 Cb 0.20 -4.46 -0.32 0.00 0.01 0.00 0.00 42.46 37.89 2j2i s ILE 74 CO 0.38 -1.00 0.86 0.77 0.00 0.00 0.00 174.94 175.95 2j2i h SER 75 N 9.20 0.68 -3.69 3.58 4.64 -1.89 -3.45 113.55 122.63 2j2i h SER 75 Ca -0.26 -0.84 -0.67 0.00 -0.47 0.00 0.00 61.79 59.54 2j2i h SER 75 Cb 1.08 -0.22 -0.21 0.00 -0.31 0.00 0.00 62.40 62.74 2j2i h SER 75 CO 1.05 1.68 -0.55 -0.62 -0.87 0.00 0.00 176.83 177.52 2j2i s ASP 76 N -7.37 5.63 0.12 4.97 2.15 -1.26 -5.08 116.67 115.83 2j2i s ASP 76 Ca -0.11 -0.43 0.07 0.00 0.43 0.00 0.00 52.55 52.50 2j2i s ASP 76 Cb 0.05 -2.03 -0.04 0.00 -0.30 0.00 0.00 42.92 40.61 2j2i s ASP 76 CO 0.90 -0.17 -0.06 0.26 -0.17 0.00 0.00 175.17 175.92 2j2i s TRP 77 N 1.64 2.79 0.00 -5.34 0.52 -1.26 -1.39 118.94 115.91 2j2i s TRP 77 Ca 0.05 -0.14 0.00 0.00 0.02 0.00 0.00 56.10 56.04 2j2i s TRP 77 Cb -0.17 -1.42 0.00 0.00 -1.15 0.00 0.00 33.47 30.73 2j2i s TRP 77 CO 0.07 0.46 0.00 0.41 0.02 0.00 0.00 176.95 177.91 2j2i n GLY 78 N 0.44 4.51 3.13 0.98 0.00 0.29 -4.56 105.19 109.97 2j2i n GLY 78 Ca -0.12 -1.68 -0.12 0.00 0.00 0.00 0.00 46.02 44.10 2j2i n GLY 78 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2j2i s GLU 79 N -1.13 0.50 0.65 1.61 1.03 -1.26 -2.06 118.70 118.03 2j2i s GLU 79 Ca 0.00 -0.34 -0.11 0.00 0.03 0.00 0.00 54.97 54.55 2j2i s GLU 79 Cb 0.00 0.21 -0.02 0.00 -0.80 0.00 0.00 34.13 33.52 2j2i s GLU 79 CO 0.00 -0.12 1.05 -0.48 -1.33 0.00 0.00 175.26 174.38 2j2i s LEU 80 N -1.32 3.13 0.36 1.83 -0.00 -0.73 -4.88 118.68 117.08 2j2i s LEU 80 Ca -0.14 1.36 0.18 0.00 -0.00 0.00 0.00 54.13 55.53 2j2i s LEU 80 Cb -0.07 -4.33 1.23 0.00 -0.00 0.00 0.00 46.19 43.02 2j2i s LEU 80 CO 0.02 -1.03 1.61 -0.65 -0.00 0.00 0.00 176.35 176.30 2j2i h PRO 81 N -0.44 0.13 -0.04 1.48 0.11 -2.02 0.61 132.00 131.83 2j2i h PRO 81 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2j2i h PRO 81 Cb 1.21 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2j2i h PRO 81 CO 0.62 0.08 0.00 0.27 -0.21 0.00 0.00 178.00 178.76 2j2i n ASN 82 N -5.18 0.60 0.00 -2.05 6.94 -1.26 -4.93 115.26 109.38 2j2i n ASN 82 Ca 0.35 -1.39 0.00 0.00 -0.02 0.00 0.00 54.58 53.52 2j2i n ASN 82 Cb 1.16 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 38.56 2j2i n ASN 82 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2j2i n GLY 83 N 0.98 0.74 3.72 4.83 0.00 0.21 -5.05 105.19 110.63 2j2i n GLY 83 Ca 0.18 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 2j2i n GLY 83 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2j2i s THR 84 N -2.00 3.45 -0.37 2.61 -1.32 -1.26 -4.77 115.64 111.98 2j2i s THR 84 Ca 0.00 1.07 -0.29 0.00 -1.21 0.00 0.00 61.69 61.27 2j2i s THR 84 Cb 0.00 -3.69 0.02 0.00 -1.51 0.00 0.00 72.50 67.32 2j2i s THR 84 CO 0.00 0.10 1.07 -0.60 -2.21 0.00 0.00 174.62 172.98 2j2i s ARG 85 N 0.81 3.94 0.18 7.08 3.52 -1.26 -1.77 118.95 131.45 2j2i s ARG 85 Ca 0.61 0.86 0.04 0.00 -0.13 0.00 0.00 55.73 57.12 2j2i s ARG 85 Cb -0.35 -3.79 -0.05 0.00 -1.56 0.00 0.00 34.95 29.20 2j2i s ARG 85 CO 0.32 -1.04 -0.06 0.14 -0.81 0.00 0.00 175.30 173.85 2j2i s VAL 86 N 3.85 1.11 0.51 7.11 -7.23 -0.88 -5.01 120.40 119.86 2j2i s VAL 86 Ca 0.45 -2.05 -0.22 0.00 -1.81 0.00 0.00 61.98 58.35 2j2i s VAL 86 Cb -0.11 -2.06 -0.07 0.00 0.56 0.00 0.00 36.38 34.70 2j2i s VAL 86 CO 0.20 -0.56 1.23 -2.65 -0.31 0.00 0.00 175.10 173.01 2j2i n PRO 87 N -0.29 1.58 -0.15 4.82 -0.02 -1.26 -0.55 135.00 139.13 2j2i n PRO 87 Ca -0.08 0.58 0.14 0.00 -2.02 0.00 0.00 63.50 62.12 2j2i n PRO 87 Cb 0.62 -2.39 0.49 0.00 -0.02 0.00 0.00 33.50 32.20 2j2i n PRO 87 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 2j2i h MET 88 N 1.45 0.43 -0.95 -0.52 1.85 -1.47 -1.50 114.93 114.22 2j2i h MET 88 Ca -0.49 -0.03 0.17 0.00 -0.61 0.00 0.00 59.70 58.74 2j2i h MET 88 Cb 1.32 -0.10 -0.10 0.00 0.43 0.00 0.00 31.60 33.15 2j2i h MET 88 CO 0.57 0.28 0.55 1.49 -0.40 0.00 0.00 176.91 179.40 2j2i h GLU 89 N 0.44 0.72 -0.50 0.39 4.81 -1.81 -0.67 114.58 117.96 2j2i h GLU 89 Ca 0.34 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.41 2j2i h GLU 89 Cb 0.73 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 2j2i h GLU 89 CO -0.11 0.47 -0.15 0.28 -0.73 0.00 0.00 179.01 178.77 2j2i h VAL 90 N 0.74 1.27 -0.12 0.32 2.07 -1.63 -0.76 116.25 118.15 2j2i h VAL 90 Ca 0.53 -1.31 -0.00 0.00 0.82 0.00 0.00 66.70 66.74 2j2i h VAL 90 Cb 0.76 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 2j2i h VAL 90 CO -0.36 0.45 0.07 0.58 0.02 0.00 0.00 177.57 178.33 2j2i h VAL 91 N 0.84 1.06 -0.29 2.57 2.07 -1.21 -1.25 116.25 120.03 2j2i h VAL 91 Ca 0.12 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 2j2i h VAL 91 Cb 0.72 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 2j2i h VAL 91 CO 0.06 0.06 0.13 -0.07 0.02 0.00 0.00 177.57 177.77 2j2i h LEU 92 N 0.13 0.39 -0.59 2.57 3.38 -1.09 -2.06 115.31 118.03 2j2i h LEU 92 Ca 0.04 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 2j2i h LEU 92 Cb 0.03 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 2j2i h LEU 92 CO -0.01 0.42 0.36 -0.07 0.09 0.00 0.00 178.44 179.24 2j2i h LEU 93 N 0.34 0.71 -0.68 1.67 3.38 -1.07 -2.25 115.31 117.41 2j2i h LEU 93 Ca 0.10 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.05 2j2i h LEU 93 Cb 0.14 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 2j2i h LEU 93 CO -0.01 0.55 0.41 0.11 0.09 0.00 0.00 178.44 179.60 2j2i h LYS 94 N 0.80 0.78 -0.47 1.13 1.57 -1.02 -0.50 116.57 118.85 2j2i h LYS 94 Ca 0.21 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 2j2i h LYS 94 Cb -0.03 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 2j2i h LYS 94 CO -0.04 0.52 0.26 0.87 -0.57 0.00 0.00 179.45 180.49 2j2i h LYS 95 N 0.80 0.64 -0.01 3.15 1.57 -0.88 -2.99 116.57 118.85 2j2i h LYS 95 Ca 0.28 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 2j2i h LYS 95 Cb 0.05 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.23 2j2i h LYS 95 CO -0.12 0.47 -0.60 1.33 -0.57 0.00 0.00 179.45 179.97 2j2i n VAL 96 N -4.42 0.00 1.05 0.50 0.24 -0.89 -4.43 118.33 110.38 2j2i n VAL 96 Ca 0.04 -0.15 0.12 0.00 -2.04 0.00 0.00 64.34 62.31 2j2i n VAL 96 Cb 0.09 0.97 0.34 0.00 -1.47 0.00 0.00 33.84 33.77 2j2i n VAL 96 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2j2i n SER 97 N -0.65 2.17 -4.75 -1.34 7.64 -0.24 -4.86 113.62 111.59 2j2i n SER 97 Ca 0.08 -1.77 -0.39 0.00 1.01 0.00 0.00 58.87 57.80 2j2i n SER 97 Cb 0.40 -0.11 -0.05 0.00 -1.01 0.00 0.00 64.21 63.44 2j2i n SER 97 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2j2i s SER 98 N -1.67 6.99 0.07 6.43 1.04 -1.26 -4.86 113.70 120.45 2j2i s SER 98 Ca 0.34 1.18 0.00 0.00 0.48 0.00 0.00 55.95 57.95 2j2i s SER 98 Cb 0.19 -2.38 0.00 0.00 0.10 0.00 0.00 66.02 63.93 2j2i s SER 98 CO 0.29 0.04 0.00 0.61 0.98 0.00 0.00 173.24 175.16 2j2i n GLY 99 N 2.63 -2.18 3.84 7.32 0.00 -1.26 -4.87 105.19 110.66 2j2i n GLY 99 Ca -0.05 -1.46 -0.36 0.00 0.00 0.00 0.00 46.02 44.15 2j2i n GLY 99 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2j2i s PHE 100 N -1.18 3.63 0.24 1.61 0.08 -1.26 -5.06 117.98 116.04 2j2i s PHE 100 Ca 0.00 1.10 -0.21 0.00 0.12 0.00 0.00 56.93 57.94 2j2i s PHE 100 Cb 0.00 -2.39 0.06 0.00 -0.57 0.00 0.00 43.02 40.11 2j2i s PHE 100 CO 0.00 0.44 0.90 -1.54 -0.10 0.00 0.00 175.22 174.92 2j2i s SER 101 N -1.65 -0.09 -0.15 1.36 1.04 -1.26 -5.02 113.70 107.93 2j2i s SER 101 Ca 0.37 -0.71 0.01 0.00 0.48 0.00 0.00 55.95 56.10 2j2i s SER 101 Cb -0.16 0.63 0.18 0.00 0.10 0.00 0.00 66.02 66.77 2j2i s SER 101 CO 0.19 -1.21 1.47 0.61 0.98 0.00 0.00 173.24 175.28 2j2i n GLY 102 N -0.55 2.94 3.33 7.32 0.00 -1.26 -4.83 105.19 112.14 2j2i n GLY 102 Ca -0.05 -0.42 -0.32 0.00 0.00 0.00 0.00 46.02 45.23 2j2i n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2j2i s VAL 103 N -1.10 2.30 0.08 1.61 1.01 -1.26 -0.71 120.40 122.33 2j2i s VAL 103 Ca 0.18 -0.99 -0.31 0.00 0.00 0.00 0.00 61.98 60.85 2j2i s VAL 103 Cb 0.14 -1.84 -0.09 0.00 0.00 0.00 0.00 36.38 34.59 2j2i s VAL 103 CO 0.02 0.58 1.74 -0.63 0.00 0.00 0.00 175.10 176.81 2j2i s ILE 104 N -0.41 2.89 0.11 2.22 -1.09 -0.74 -4.82 121.20 119.37 2j2i s ILE 104 Ca 0.04 0.30 -0.14 0.00 -2.23 0.00 0.00 60.65 58.62 2j2i s ILE 104 Cb -0.12 -3.20 -0.07 0.00 -1.58 0.00 0.00 42.46 37.50 2j2i s ILE 104 CO 0.01 -0.00 0.51 -0.13 -1.23 0.00 0.00 174.94 174.10 2j2i s ARG 105 N 2.92 3.95 -0.28 2.79 0.52 -1.26 -4.87 118.95 122.73 2j2i s ARG 105 Ca 0.78 0.45 -0.29 0.00 -0.52 0.00 0.00 55.73 56.14 2j2i s ARG 105 Cb -0.42 -3.00 0.01 0.00 0.52 0.00 0.00 34.95 32.06 2j2i s ARG 105 CO 0.34 0.53 1.06 -1.17 0.02 0.00 0.00 175.30 176.08 2j2i s LEU 106 N -1.78 4.00 -0.09 2.53 2.96 -1.26 -1.87 118.68 123.17 2j2i s LEU 106 Ca 0.35 1.19 0.05 0.00 -0.22 0.00 0.00 54.13 55.50 2j2i s LEU 106 Cb -0.15 -3.54 -0.24 0.00 0.50 0.00 0.00 46.19 42.75 2j2i s LEU 106 CO 0.18 -0.79 0.48 0.18 -1.32 0.00 0.00 176.35 175.08 2j2i n LEU 107 N 6.63 1.56 -3.68 -0.68 4.77 0.90 -4.98 117.00 121.53 2j2i n LEU 107 Ca 0.12 0.29 -0.05 0.00 -0.03 0.00 0.00 56.01 56.34 2j2i n LEU 107 Cb 0.47 -0.33 -0.01 0.00 -2.33 0.00 0.00 43.42 41.21 2j2i n LEU 107 CO 0.56 0.59 0.73 -0.62 -1.33 0.00 0.00 177.39 177.32 2j2i s ASP 108 N -6.42 -0.22 0.09 -1.43 2.15 -1.17 -5.01 116.67 104.65 2j2i s ASP 108 Ca -0.13 -0.29 -0.13 0.00 0.43 0.00 0.00 52.55 52.43 2j2i s ASP 108 Cb 0.07 0.45 0.02 0.00 -0.30 0.00 0.00 42.92 43.16 2j2i s ASP 108 CO 0.80 -0.80 0.31 -1.66 -0.17 0.00 0.00 175.17 173.64 2j2i s TRP 109 N -3.21 -0.07 0.01 -5.34 1.48 -1.26 -0.50 118.94 110.05 2j2i s TRP 109 Ca 0.10 -0.22 0.01 0.00 -1.06 0.00 0.00 56.10 54.94 2j2i s TRP 109 Cb -0.01 0.11 -0.01 0.00 -1.16 0.00 0.00 33.47 32.40 2j2i s TRP 109 CO -0.01 -0.59 -0.04 -0.06 -4.06 0.00 0.00 176.95 172.19 2j2i s PHE 110 N -3.40 0.35 -0.17 1.66 0.08 0.51 -5.00 117.98 112.01 2j2i s PHE 110 Ca 0.01 -0.17 -0.06 0.00 0.12 0.00 0.00 56.93 56.83 2j2i s PHE 110 Cb 0.02 -0.22 -0.04 0.00 -0.57 0.00 0.00 43.02 42.21 2j2i s PHE 110 CO -0.09 -0.03 0.03 -2.00 -0.10 0.00 0.00 175.22 173.03 2j2i s GLU 111 N -0.43 3.83 0.37 0.44 2.12 -1.26 -0.80 118.70 122.98 2j2i s GLU 111 Ca -0.02 -0.40 0.08 0.00 0.36 0.00 0.00 54.97 54.99 2j2i s GLU 111 Cb -0.03 -3.10 -0.04 0.00 0.26 0.00 0.00 34.13 31.22 2j2i s GLU 111 CO -0.00 0.29 0.21 1.03 -0.54 0.00 0.00 175.26 176.25 2j2i s ARG 112 N 0.29 2.39 0.26 4.30 0.52 0.48 -5.00 118.95 122.18 2j2i s ARG 112 Ca 0.01 -1.60 -0.01 0.00 -0.52 0.00 0.00 55.73 53.61 2j2i s ARG 112 Cb -0.13 -2.18 0.55 0.00 0.52 0.00 0.00 34.95 33.71 2j2i s ARG 112 CO 0.01 -0.01 1.75 -1.35 0.02 0.00 0.00 175.30 175.72 2j2i h PRO 113 N 1.40 0.54 -0.08 3.54 0.11 -2.03 -3.17 132.00 132.32 2j2i h PRO 113 Ca -0.43 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2j2i h PRO 113 Cb 1.25 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2j2i h PRO 113 CO 0.64 0.36 0.00 -0.25 -0.21 0.00 0.00 178.00 178.53 2j2i n ASP 114 N -4.92 1.96 -3.62 -2.05 8.00 -1.26 -4.99 116.55 109.67 2j2i n ASP 114 Ca 0.17 -1.71 -0.10 0.00 0.71 0.00 0.00 54.79 53.86 2j2i n ASP 114 Cb 0.47 -0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.49 2j2i n ASP 114 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2j2i s SER 115 N -0.76 -0.39 0.09 -2.24 1.04 -1.20 -1.00 113.70 109.23 2j2i s SER 115 Ca 0.06 -0.30 0.05 0.00 0.48 0.00 0.00 55.95 56.25 2j2i s SER 115 Cb 0.04 0.62 -0.04 0.00 0.10 0.00 0.00 66.02 66.73 2j2i s SER 115 CO 0.05 -1.08 -0.01 -0.36 0.98 0.00 0.00 173.24 172.83 2j2i s PHE 116 N -3.83 2.98 -0.09 5.02 0.08 -0.22 -0.39 117.98 121.53 2j2i s PHE 116 Ca 0.06 -0.03 0.02 0.00 0.12 0.00 0.00 56.93 57.10 2j2i s PHE 116 Cb -0.02 -1.53 0.01 0.00 -0.57 0.00 0.00 43.02 40.91 2j2i s PHE 116 CO -0.05 0.48 -0.16 0.08 -0.10 0.00 0.00 175.22 175.47 2j2i s VAL 117 N -1.31 1.46 -0.10 -0.44 1.01 0.02 -1.53 120.40 119.52 2j2i s VAL 117 Ca 0.25 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.60 2j2i s VAL 117 Cb -0.12 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 2j2i s VAL 117 CO 0.18 0.43 -0.13 -0.76 0.00 0.00 0.00 175.10 174.82 2j2i s LEU 118 N 0.76 2.77 -0.28 3.92 1.02 0.65 -0.36 118.68 127.16 2j2i s LEU 118 Ca -0.12 -0.25 -0.10 0.00 0.02 0.00 0.00 54.13 53.69 2j2i s LEU 118 Cb -0.16 -1.60 -0.03 0.00 0.02 0.00 0.00 46.19 44.42 2j2i s LEU 118 CO 0.02 0.25 0.14 -0.63 0.02 0.00 0.00 176.35 176.15 2j2i s ILE 119 N -0.12 4.84 0.22 -0.59 -1.09 0.34 -0.67 121.20 124.13 2j2i s ILE 119 Ca -0.01 -0.08 0.11 0.00 -2.23 0.00 0.00 60.65 58.45 2j2i s ILE 119 Cb -0.14 -3.33 -0.05 0.00 -1.58 0.00 0.00 42.46 37.37 2j2i s ILE 119 CO 0.03 0.23 -0.21 -0.76 -1.23 0.00 0.00 174.94 173.01 2j2i s LEU 120 N 1.68 2.54 0.65 2.97 1.43 0.47 -0.07 118.68 128.35 2j2i s LEU 120 Ca 0.06 -0.89 -0.18 0.00 -1.03 0.00 0.00 54.13 52.09 2j2i s LEU 120 Cb -0.16 -1.20 -0.02 0.00 0.03 0.00 0.00 46.19 44.85 2j2i s LEU 120 CO 0.08 0.09 1.17 -0.62 0.23 0.00 0.00 176.35 177.30 2j2i n GLU 121 N -0.07 0.96 -3.69 1.70 1.02 -0.78 -0.49 120.64 119.28 2j2i n GLU 121 Ca -0.10 0.38 -0.26 0.00 -0.02 0.00 0.00 57.16 57.16 2j2i n GLU 121 Cb 0.57 -2.40 -0.17 0.00 -0.02 0.00 0.00 31.44 29.42 2j2i n GLU 121 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2j2i s ARG 122 N -3.23 0.41 0.67 3.49 3.52 -1.18 -4.29 118.95 118.35 2j2i s ARG 122 Ca 0.80 -0.20 -0.13 0.00 -0.13 0.00 0.00 55.73 56.07 2j2i s ARG 122 Cb -0.38 -1.78 0.00 0.00 -1.56 0.00 0.00 34.95 31.23 2j2i s ARG 122 CO 0.43 -0.59 1.08 -2.14 -0.81 0.00 0.00 175.30 173.27 2j2i s PRO 123 N 1.98 2.86 -0.15 5.12 0.02 -1.26 -4.62 135.00 138.96 2j2i s PRO 123 Ca 0.01 1.18 -0.07 0.00 0.02 0.00 0.00 61.00 62.14 2j2i s PRO 123 Cb -0.16 -1.97 0.06 0.00 0.02 0.00 0.00 34.50 32.45 2j2i s PRO 123 CO -0.08 -1.17 0.34 -2.00 -0.33 0.00 0.00 177.00 173.76 2j2i s GLU 124 N -4.50 0.28 0.58 5.54 2.12 -1.26 -4.17 118.70 117.29 2j2i s GLU 124 Ca 0.62 0.75 -0.16 0.00 0.36 0.00 0.00 54.97 56.54 2j2i s GLU 124 Cb -0.17 0.00 -0.04 0.00 0.26 0.00 0.00 34.13 34.18 2j2i s GLU 124 CO 0.47 -0.20 1.06 -1.25 -0.54 0.00 0.00 175.26 174.80 2j2i s PRO 125 N 1.74 3.38 0.02 4.30 0.04 -1.26 -4.89 135.00 138.33 2j2i s PRO 125 Ca -0.06 1.24 -0.01 0.00 0.04 0.00 0.00 61.00 62.21 2j2i s PRO 125 Cb -0.10 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.38 2j2i s PRO 125 CO -0.11 -0.77 -0.02 0.54 0.04 0.00 0.00 177.00 176.69 2j2i s VAL 126 N -2.37 0.12 -0.09 -0.36 0.11 -1.26 -2.22 120.40 114.33 2j2i s VAL 126 Ca 0.64 -1.00 -0.08 0.00 -2.93 0.00 0.00 61.98 58.61 2j2i s VAL 126 Cb -0.16 -0.43 0.02 0.00 -1.53 0.00 0.00 36.38 34.28 2j2i s VAL 126 CO 0.34 -0.55 0.24 -1.58 -3.33 0.00 0.00 175.10 170.22 2j2i s GLN 127 N -1.76 0.28 0.69 1.54 0.74 -0.84 -4.97 119.66 115.35 2j2i s GLN 127 Ca -0.13 0.34 -0.11 0.00 0.05 0.00 0.00 55.36 55.51 2j2i s GLN 127 Cb -0.08 0.14 0.00 0.00 1.10 0.00 0.00 33.01 34.18 2j2i s GLN 127 CO -0.02 -0.03 1.06 0.16 -0.55 0.00 0.00 175.29 175.91 2j2i s ASP 128 N 0.13 5.46 0.27 6.67 3.84 -1.26 -0.16 116.67 131.62 2j2i s ASP 128 Ca -0.00 1.54 0.11 0.00 -0.00 0.00 0.00 52.55 54.20 2j2i s ASP 128 Cb -0.02 -2.43 0.36 0.00 -1.38 0.00 0.00 42.92 39.45 2j2i s ASP 128 CO 0.00 -1.38 1.61 0.25 -0.00 0.00 0.00 175.17 175.65 2j2i h LEU 129 N -0.68 0.00 0.04 2.11 5.85 -0.88 -1.88 115.31 119.87 2j2i h LEU 129 Ca -0.44 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.28 2j2i h LEU 129 Cb 1.21 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.24 2j2i h LEU 129 CO 0.58 0.61 -0.03 0.15 -0.34 0.00 0.00 178.44 179.42 2j2i h PHE 130 N 0.00 -0.07 -0.79 1.25 3.57 -1.80 -1.02 116.94 118.08 2j2i h PHE 130 Ca -0.01 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 2j2i h PHE 130 Cb 1.09 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.82 2j2i h PHE 130 CO 0.00 -0.04 0.41 -0.44 -2.23 0.00 0.00 178.31 176.01 2j2i h ASP 131 N -0.07 1.00 -0.20 0.41 3.32 -1.88 -0.84 116.42 118.16 2j2i h ASP 131 Ca -0.00 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 2j2i h ASP 131 Cb 0.06 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 2j2i h ASP 131 CO 0.00 0.82 0.10 0.15 -1.72 0.00 0.00 179.24 178.59 2j2i h PHE 132 N 1.11 0.29 -0.33 4.55 3.57 -1.07 -0.62 116.94 124.45 2j2i h PHE 132 Ca 0.28 -0.01 -0.17 0.00 3.53 0.00 0.00 57.97 61.59 2j2i h PHE 132 Cb 0.06 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 38.70 2j2i h PHE 132 CO 0.01 0.29 -0.47 0.82 -2.23 0.00 0.00 178.31 176.74 2j2i h ILE 133 N 0.21 1.28 -0.36 1.41 2.04 -1.11 -0.43 117.51 120.53 2j2i h ILE 133 Ca 0.07 -1.65 0.05 0.00 1.00 0.00 0.00 64.86 64.33 2j2i h ILE 133 Cb 0.11 1.51 -0.05 0.00 -0.74 0.00 0.00 36.82 37.66 2j2i h ILE 133 CO -0.01 0.54 0.09 0.74 0.00 0.00 0.00 178.15 179.51 2j2i h THR 134 N 0.70 0.85 -0.31 -0.27 2.02 -1.02 0.20 112.91 115.07 2j2i h THR 134 Ca 0.04 -0.08 -0.09 0.00 0.77 0.00 0.00 66.41 67.05 2j2i h THR 134 Cb 1.06 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 2j2i h THR 134 CO 0.11 0.04 -0.18 -0.33 0.37 0.00 0.00 175.52 175.53 2j2i h GLU 135 N 0.22 0.66 0.00 6.66 5.08 -1.00 -3.36 114.58 122.85 2j2i h GLU 135 Ca 0.17 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2j2i h GLU 135 Cb 0.18 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2j2i h GLU 135 CO -0.21 0.90 -1.04 0.54 -1.00 0.00 0.00 179.01 178.21 2j2i n ARG 136 N -4.36 0.60 0.00 2.33 1.74 -0.18 -5.09 116.66 111.69 2j2i n ARG 136 Ca -0.03 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 2j2i n ARG 136 Cb 0.40 -1.42 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 2j2i n ARG 136 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2j2i n GLY 137 N 1.45 -1.71 3.64 -0.13 0.00 0.70 -4.87 105.19 104.27 2j2i n GLY 137 Ca 0.03 -1.34 -0.46 0.00 0.00 0.00 0.00 46.02 44.25 2j2i n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j2i n ALA 138 N 0.81 0.57 -2.08 4.61 0.00 -1.26 -4.67 120.51 118.49 2j2i n ALA 138 Ca 0.00 0.42 -0.38 0.00 0.00 0.00 0.00 53.44 53.49 2j2i n ALA 138 Cb 0.00 -2.20 -0.06 0.00 0.00 0.00 0.00 19.45 17.19 2j2i n ALA 138 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2j2i s LEU 139 N 0.21 4.46 0.31 0.00 1.43 0.55 -4.94 118.68 120.70 2j2i s LEU 139 Ca 0.68 1.48 -0.28 0.00 -1.03 0.00 0.00 54.13 54.99 2j2i s LEU 139 Cb -0.70 -3.39 -0.13 0.00 0.03 0.00 0.00 46.19 42.00 2j2i s LEU 139 CO 0.51 0.13 1.15 0.00 0.23 0.00 0.00 176.35 178.37 2j2i n GLN 140 N 1.17 1.71 0.06 1.70 6.02 -1.26 -4.56 117.38 122.23 2j2i n GLN 140 Ca -0.05 0.60 0.05 0.00 -0.01 0.00 0.00 57.00 57.59 2j2i n GLN 140 Cb 0.50 -2.07 0.47 0.00 1.02 0.00 0.00 30.24 30.16 2j2i n GLN 140 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2j2i h GLU 141 N 2.32 0.40 -0.74 -1.09 5.08 -1.96 -0.79 114.58 117.81 2j2i h GLU 141 Ca -0.43 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 57.95 2j2i h GLU 141 Cb 1.31 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 30.42 2j2i h GLU 141 CO 0.62 0.28 0.45 1.49 -1.00 0.00 0.00 179.01 180.85 2j2i h GLU 142 N 0.41 0.83 -0.16 2.33 4.81 -1.99 0.12 114.58 120.92 2j2i h GLU 142 Ca 0.11 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.20 2j2i h GLU 142 Cb -0.02 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.17 2j2i h GLU 142 CO -0.02 0.55 -0.26 1.25 -0.73 0.00 0.00 179.01 179.80 2j2i h LEU 143 N 0.85 0.51 -0.83 1.64 5.85 -1.57 -2.67 115.31 119.09 2j2i h LEU 143 Ca 0.31 -0.53 0.04 0.00 0.84 0.00 0.00 57.88 58.54 2j2i h LEU 143 Cb 0.09 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 40.93 2j2i h LEU 143 CO -0.14 0.94 0.53 0.00 -0.34 0.00 0.00 178.44 179.42 2j2i h ALA 144 N 0.58 1.11 -0.12 1.25 0.00 -1.06 -0.63 119.26 120.40 2j2i h ALA 144 Ca 0.01 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.91 2j2i h ALA 144 Cb 0.84 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2j2i h ALA 144 CO 0.06 0.32 0.06 -0.09 0.00 0.00 0.00 179.25 179.60 2j2i h ARG 145 N 1.00 0.13 -0.30 0.00 2.43 -0.74 0.31 114.38 117.21 2j2i h ARG 145 Ca 0.34 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.51 2j2i h ARG 145 Cb 0.07 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 2j2i h ARG 145 CO -0.14 0.09 0.19 1.03 -1.51 0.00 0.00 179.97 179.63 2j2i h SER 146 N 0.13 0.32 -0.07 -3.80 0.87 -1.18 -0.89 113.55 108.94 2j2i h SER 146 Ca 0.05 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 2j2i h SER 146 Cb 0.00 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 61.88 2j2i h SER 146 CO -0.03 0.23 0.02 -0.26 -0.53 0.00 0.00 176.83 176.26 2j2i h PHE 147 N 0.39 0.12 -0.72 2.24 -1.00 -0.91 -2.24 116.94 114.81 2j2i h PHE 147 Ca 0.11 -0.01 -0.02 0.00 2.81 0.00 0.00 57.97 60.86 2j2i h PHE 147 Cb -0.03 -0.03 -0.03 0.00 3.61 0.00 0.00 35.95 39.46 2j2i h PHE 147 CO -0.06 0.30 0.36 0.35 -1.61 0.00 0.00 178.31 177.65 2j2i h PHE 148 N -0.10 1.03 -0.26 -0.55 3.57 -0.34 -1.66 116.94 118.62 2j2i h PHE 148 Ca 0.02 -0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.51 2j2i h PHE 148 Cb 0.24 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 38.63 2j2i h PHE 148 CO 0.00 0.75 0.06 2.35 -2.23 0.00 0.00 178.31 179.24 2j2i h TRP 149 N 1.01 0.10 -0.93 0.41 2.91 -1.10 -0.07 115.95 118.28 2j2i h TRP 149 Ca 0.25 0.02 0.01 0.00 1.13 0.00 0.00 58.89 60.29 2j2i h TRP 149 Cb 0.10 -0.01 -0.05 0.00 -0.51 0.00 0.00 29.16 28.69 2j2i h TRP 149 CO 0.00 0.03 0.61 1.96 -1.03 0.00 0.00 178.44 180.02 2j2i h GLN 150 N 0.16 1.23 -0.36 2.65 4.20 -1.08 -0.55 115.11 121.37 2j2i h GLN 150 Ca 0.12 -0.08 -0.06 0.00 0.06 0.00 0.00 58.65 58.70 2j2i h GLN 150 Cb 0.11 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.61 2j2i h GLN 150 CO -0.15 0.82 0.00 0.28 -0.67 0.00 0.00 178.83 179.11 2j2i h VAL 151 N 1.26 1.26 -0.39 -0.54 2.07 -0.87 -1.44 116.25 117.59 2j2i h VAL 151 Ca 0.34 -0.97 0.05 0.00 0.82 0.00 0.00 66.70 66.94 2j2i h VAL 151 Cb -0.14 1.19 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 2j2i h VAL 151 CO -0.07 0.32 0.12 -0.07 0.02 0.00 0.00 177.57 177.89 2j2i h LEU 152 N 0.44 0.11 -0.93 2.57 3.38 -0.56 0.91 115.31 121.22 2j2i h LEU 152 Ca 0.10 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.13 2j2i h LEU 152 Cb 0.45 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.20 2j2i h LEU 152 CO 0.02 0.10 0.61 -0.33 0.09 0.00 0.00 178.44 178.93 2j2i h GLU 153 N 0.27 1.23 -0.50 1.13 4.39 -0.97 -0.32 114.58 119.81 2j2i h GLU 153 Ca 0.18 -0.08 -0.05 0.00 0.34 0.00 0.00 59.36 59.76 2j2i h GLU 153 Cb 0.18 -0.28 -0.02 0.00 -0.10 0.00 0.00 28.75 28.54 2j2i h GLU 153 CO -0.20 0.82 0.13 0.00 -1.16 0.00 0.00 179.01 178.60 2j2i h ALA 154 N 1.34 0.66 -0.56 3.43 0.00 -0.65 -0.28 119.26 123.20 2j2i h ALA 154 Ca 0.34 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 2j2i h ALA 154 Cb -0.14 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 2j2i h ALA 154 CO -0.07 0.34 -0.07 0.28 0.00 0.00 0.00 179.25 179.72 2j2i h VAL 155 N 0.68 1.27 -0.87 0.00 2.07 -0.59 -1.32 116.25 117.49 2j2i h VAL 155 Ca 0.16 -1.23 0.01 0.00 0.82 0.00 0.00 66.70 66.46 2j2i h VAL 155 Cb 0.31 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 2j2i h VAL 155 CO -0.00 0.44 0.58 0.03 0.02 0.00 0.00 177.57 178.63 2j2i h ARG 156 N 0.92 1.14 -0.02 1.57 3.08 -0.80 -1.09 114.38 119.18 2j2i h ARG 156 Ca 0.15 -0.07 0.02 0.00 0.07 0.00 0.00 59.98 60.15 2j2i h ARG 156 Cb 0.63 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 2j2i h ARG 156 CO 0.04 0.76 -0.07 1.25 -1.07 0.00 0.00 179.97 180.88 2j2i h HIS 157 N 1.18 -0.18 -0.16 3.04 2.76 -0.59 0.18 115.15 121.38 2j2i h HIS 157 Ca 0.32 0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.54 2j2i h HIS 157 Cb -0.13 0.09 -0.04 0.00 1.55 0.00 0.00 27.41 28.87 2j2i h HIS 157 CO -0.01 -0.11 -0.12 0.00 -1.30 0.00 0.00 177.93 176.39 2j2i h HIS 159 N -0.12 1.18 0.00 0.00 -0.00 -1.03 0.20 115.15 115.39 2j2i h HIS 159 Ca 0.10 -0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 60.41 2j2i h HIS 159 Cb 0.27 -0.39 -0.01 0.00 -0.00 0.00 0.00 27.41 27.29 2j2i h HIS 159 CO -0.25 0.79 -0.22 -0.91 -0.00 0.00 0.00 177.93 177.34 2j2i h ASN 160 N 1.23 0.00 -0.01 2.45 2.35 -0.62 -1.22 115.58 119.75 2j2i h ASN 160 Ca 0.32 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.07 2j2i h ASN 160 Cb -0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.34 2j2i h ASN 160 CO -0.06 0.22 0.00 0.00 -1.65 0.00 0.00 177.43 175.94 2j2i n GLY 162 N 1.01 0.41 3.16 0.00 0.00 -0.46 -4.83 105.19 104.49 2j2i n GLY 162 Ca 0.21 -0.96 -0.28 0.00 0.00 0.00 0.00 46.02 44.98 2j2i n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2j2i s VAL 163 N -2.00 1.66 -0.24 1.61 1.01 -0.04 -0.81 120.40 121.59 2j2i s VAL 163 Ca 0.00 -0.81 -0.07 0.00 0.00 0.00 0.00 61.98 61.09 2j2i s VAL 163 Cb 0.00 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 2j2i s VAL 163 CO 0.00 0.47 0.07 -0.22 0.00 0.00 0.00 175.10 175.42 2j2i s LEU 164 N 0.22 3.52 0.02 3.92 2.96 0.39 -2.86 118.68 126.85 2j2i s LEU 164 Ca -0.10 -0.15 -0.24 0.00 -0.22 0.00 0.00 54.13 53.43 2j2i s LEU 164 Cb -0.15 -1.94 -0.17 0.00 0.50 0.00 0.00 46.19 44.44 2j2i s LEU 164 CO 0.05 0.01 1.37 -0.74 -1.32 0.00 0.00 176.35 175.71 2j2i h HIS 165 N 7.94 0.15 0.00 5.38 -0.00 -1.94 -0.56 115.15 126.12 2j2i h HIS 165 Ca -0.37 -0.04 0.00 0.00 -0.00 0.00 0.00 60.37 59.96 2j2i h HIS 165 Cb 1.18 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 28.55 2j2i h HIS 165 CO 0.65 0.50 0.00 0.54 -0.00 0.00 0.00 177.93 179.63 2j2i n ARG 166 N -4.79 -0.13 -2.73 5.26 1.74 -1.26 -2.90 116.66 111.85 2j2i n ARG 166 Ca -0.07 0.03 -0.04 0.00 -0.77 0.00 0.00 57.85 57.00 2j2i n ARG 166 Cb 0.25 -3.25 0.06 0.00 -1.02 0.00 0.00 32.46 28.49 2j2i n ARG 166 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2j2i n ASP 167 N -0.06 0.75 -4.67 0.55 2.03 -1.26 -4.46 116.55 109.42 2j2i n ASP 167 Ca 0.00 -2.36 -0.42 0.00 0.52 0.00 0.00 54.79 52.53 2j2i n ASP 167 Cb 0.03 -0.18 -0.03 0.00 -0.72 0.00 0.00 41.12 40.22 2j2i n ASP 167 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2j2i s ILE 168 N -2.61 3.61 0.01 5.18 1.01 -1.26 -4.78 121.20 122.36 2j2i s ILE 168 Ca 0.24 0.89 -0.29 0.00 0.00 0.00 0.00 60.65 61.49 2j2i s ILE 168 Cb 0.40 -3.57 0.10 0.00 0.01 0.00 0.00 42.46 39.39 2j2i s ILE 168 CO -0.03 -0.04 0.97 -1.59 0.00 0.00 0.00 174.94 174.26 2j2i s LYS 169 N 3.18 0.82 0.30 2.79 -2.85 -1.26 -4.84 119.74 117.87 2j2i s LYS 169 Ca 0.68 -0.36 0.04 0.00 -1.00 0.00 0.00 55.97 55.33 2j2i s LYS 169 Cb -0.33 0.34 0.67 0.00 -2.06 0.00 0.00 37.83 36.45 2j2i s LYS 169 CO 0.27 -0.37 1.81 0.38 0.10 0.00 0.00 175.35 177.55 2j2i h ASP 170 N 2.00 0.84 0.21 0.03 3.04 -1.94 -0.78 116.42 119.82 2j2i h ASP 170 Ca -0.22 0.07 -0.01 0.00 -3.24 0.00 0.00 57.03 53.64 2j2i h ASP 170 Cb 1.23 -0.09 -0.00 0.00 -1.04 0.00 0.00 39.33 39.43 2j2i h ASP 170 CO 0.28 0.38 -0.04 -0.33 -2.04 0.00 0.00 179.24 177.49 2j2i h GLU 171 N 0.86 0.00 -0.51 4.15 5.08 -1.95 -2.68 114.58 119.53 2j2i h GLU 171 Ca 0.53 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.82 2j2i h GLU 171 Cb 0.71 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.92 2j2i h GLU 171 CO -0.32 0.04 0.07 0.09 -1.00 0.00 0.00 179.01 177.90 2j2i n ASN 172 N -3.50 4.74 -3.98 1.42 3.02 -0.30 -4.85 115.26 111.80 2j2i n ASN 172 Ca -0.02 -3.10 -0.29 0.00 -0.03 0.00 0.00 54.58 51.14 2j2i n ASN 172 Cb 0.15 -0.66 -0.17 0.00 -0.61 0.00 0.00 39.78 38.49 2j2i n ASN 172 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2j2i s ILE 173 N -2.89 1.39 -0.13 2.41 1.01 -1.02 -1.00 121.20 120.96 2j2i s ILE 173 Ca 0.51 -0.52 -0.07 0.00 0.00 0.00 0.00 60.65 60.57 2j2i s ILE 173 Cb 0.40 -1.32 -0.04 0.00 0.01 0.00 0.00 42.46 41.51 2j2i s ILE 173 CO 0.12 0.43 0.12 -0.76 0.00 0.00 0.00 174.94 174.85 2j2i s LEU 174 N 1.52 4.24 -0.26 2.97 1.43 0.18 -0.88 118.68 127.88 2j2i s LEU 174 Ca 0.04 0.39 -0.08 0.00 -1.03 0.00 0.00 54.13 53.44 2j2i s LEU 174 Cb -0.13 -2.03 -0.03 0.00 0.03 0.00 0.00 46.19 44.02 2j2i s LEU 174 CO -0.09 0.37 0.10 -0.63 0.23 0.00 0.00 176.35 176.33 2j2i s ILE 175 N -0.80 4.57 -0.51 -0.59 1.01 0.77 -0.64 121.20 125.01 2j2i s ILE 175 Ca 0.13 -0.09 -0.28 0.00 0.00 0.00 0.00 60.65 60.41 2j2i s ILE 175 Cb -0.12 -3.15 0.02 0.00 0.01 0.00 0.00 42.46 39.21 2j2i s ILE 175 CO 0.03 0.31 1.36 -0.62 0.00 0.00 0.00 174.94 176.02 2j2i s ASP 176 N 1.65 6.27 0.48 3.58 -1.08 0.73 -1.98 116.67 126.32 2j2i s ASP 176 Ca 0.06 0.44 0.27 0.00 -0.52 0.00 0.00 52.55 52.80 2j2i s ASP 176 Cb -0.15 -2.55 1.12 0.00 -1.46 0.00 0.00 42.92 39.88 2j2i s ASP 176 CO 0.06 -1.57 1.91 -0.07 0.52 0.00 0.00 175.17 176.02 2j2i h LEU 177 N 12.55 0.00 0.11 -1.34 3.38 -1.75 0.11 115.31 128.37 2j2i h LEU 177 Ca -0.26 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.36 2j2i h LEU 177 Cb 1.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 2j2i h LEU 177 CO 1.15 0.16 -1.92 0.78 0.09 0.00 0.00 178.44 178.71 2j2i h ASN 178 N 0.00 0.36 0.56 -0.43 2.35 -1.90 -3.39 115.58 113.13 2j2i h ASN 178 Ca -0.00 -0.79 0.00 0.00 -0.55 0.00 0.00 56.30 54.96 2j2i h ASN 178 Cb 0.62 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.87 2j2i h ASN 178 CO 0.02 1.70 -0.71 0.54 -1.65 0.00 0.00 177.43 177.33 2j2i n ARG 179 N -3.42 0.17 -1.65 0.81 1.74 -1.18 -4.86 116.66 108.27 2j2i n ARG 179 Ca -0.28 0.02 -0.12 0.00 -0.77 0.00 0.00 57.85 56.70 2j2i n ARG 179 Cb 1.05 -1.58 -0.04 0.00 -1.02 0.00 0.00 32.46 30.87 2j2i n ARG 179 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2j2i n GLY 180 N 1.41 0.85 3.72 -0.13 0.00 0.36 -3.50 105.19 107.91 2j2i n GLY 180 Ca 0.04 -0.42 -0.35 0.00 0.00 0.00 0.00 46.02 45.29 2j2i n GLY 180 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2j2i s GLU 181 N -3.58 3.51 -0.09 1.61 2.02 -1.18 -4.58 118.70 116.42 2j2i s GLU 181 Ca 0.00 -0.30 -0.06 0.00 0.02 0.00 0.00 54.97 54.63 2j2i s GLU 181 Cb 0.00 -3.08 -0.04 0.00 0.10 0.00 0.00 34.13 31.11 2j2i s GLU 181 CO 0.00 0.56 0.15 -0.51 0.02 0.00 0.00 175.26 175.48 2j2i s LEU 182 N -0.44 4.39 -0.04 1.80 1.02 -1.26 -0.19 118.68 123.96 2j2i s LEU 182 Ca 0.10 0.45 0.02 0.00 0.02 0.00 0.00 54.13 54.72 2j2i s LEU 182 Cb -0.12 -2.19 0.01 0.00 0.02 0.00 0.00 46.19 43.91 2j2i s LEU 182 CO 0.02 0.38 -0.08 -0.54 0.02 0.00 0.00 176.35 176.14 2j2i s LYS 183 N -1.22 1.10 0.12 1.70 -0.14 0.19 -4.61 119.74 116.89 2j2i s LYS 183 Ca 0.18 -0.27 -0.28 0.00 -1.36 0.00 0.00 55.97 54.24 2j2i s LYS 183 Cb -0.12 -1.00 -0.06 0.00 -1.68 0.00 0.00 37.83 34.96 2j2i s LYS 183 CO 0.07 0.03 0.89 -0.51 -0.76 0.00 0.00 175.35 175.07 2j2i s LEU 184 N 0.53 4.52 0.28 3.17 1.43 0.11 -0.64 118.68 128.08 2j2i s LEU 184 Ca -0.09 1.71 0.07 0.00 -1.03 0.00 0.00 54.13 54.80 2j2i s LEU 184 Cb -0.12 -3.46 -0.06 0.00 0.03 0.00 0.00 46.19 42.58 2j2i s LEU 184 CO 0.01 0.02 -0.08 0.27 0.23 0.00 0.00 176.35 176.81 2j2i s ILE 185 N -0.33 1.77 -0.22 -0.59 -4.36 -0.17 -1.79 121.20 115.51 2j2i s ILE 185 Ca 0.42 -2.16 -0.07 0.00 -0.26 0.00 0.00 60.65 58.58 2j2i s ILE 185 Cb -0.23 -2.44 0.01 0.00 1.25 0.00 0.00 42.46 41.05 2j2i s ILE 185 CO 0.28 -0.31 0.28 -0.67 0.24 0.00 0.00 174.94 174.75 2j2i n ASP 186 N -0.60 -5.12 -0.94 4.36 -0.08 -1.26 -4.79 116.55 108.12 2j2i n ASP 186 Ca -0.06 0.33 0.04 0.00 -1.51 0.00 0.00 54.79 53.60 2j2i n ASP 186 Cb 0.63 -3.30 0.16 0.00 2.34 0.00 0.00 41.12 40.95 2j2i n ASP 186 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 2j2i n PHE 187 N -0.31 0.75 0.30 -0.67 3.72 -1.26 -4.49 117.46 115.49 2j2i n PHE 187 Ca 0.06 -0.28 0.17 0.00 -0.05 0.00 0.00 57.45 57.35 2j2i n PHE 187 Cb 0.21 -0.19 0.90 0.00 -0.94 0.00 0.00 39.48 39.47 2j2i n PHE 187 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2j2i h GLY 188 N 4.82 0.00 -1.85 1.37 0.00 -1.92 -2.05 103.07 103.44 2j2i h GLY 188 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2j2i h GLY 188 CO 0.14 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.12 2j2i n SER 189 N -3.36 3.05 -3.77 0.19 7.64 -1.26 -4.89 113.62 111.22 2j2i n SER 189 Ca -0.02 -1.89 -0.29 0.00 1.01 0.00 0.00 58.87 57.67 2j2i n SER 189 Cb 0.18 -0.18 0.22 0.00 -1.01 0.00 0.00 64.21 63.43 2j2i n SER 189 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2j2i n GLY 190 N 1.17 -1.97 3.42 0.23 0.00 -0.77 -4.68 105.19 102.59 2j2i n GLY 190 Ca 0.15 -1.63 -0.10 0.00 0.00 0.00 0.00 46.02 44.44 2j2i n GLY 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j2i s ALA 191 N -3.63 -1.07 0.29 4.61 0.00 -0.22 -5.00 121.76 116.74 2j2i s ALA 191 Ca 0.74 -0.00 -0.30 0.00 0.00 0.00 0.00 51.96 52.40 2j2i s ALA 191 Cb -0.04 0.80 -0.11 0.00 0.00 0.00 0.00 23.12 23.77 2j2i s ALA 191 CO 0.53 -0.73 1.51 -0.51 0.00 0.00 0.00 175.76 176.56 2j2i s LEU 192 N -2.82 4.36 0.20 0.00 1.43 -1.26 -0.46 118.68 120.13 2j2i s LEU 192 Ca 0.05 2.85 -0.30 0.00 -1.03 0.00 0.00 54.13 55.70 2j2i s LEU 192 Cb 0.00 -3.64 -0.09 0.00 0.03 0.00 0.00 46.19 42.50 2j2i s LEU 192 CO -0.09 -0.81 1.30 -0.22 0.23 0.00 0.00 176.35 176.76 2j2i s LEU 193 N -0.72 4.42 0.11 1.79 2.96 0.01 -4.68 118.68 122.56 2j2i s LEU 193 Ca 0.60 2.39 -0.02 0.00 -0.22 0.00 0.00 54.13 56.87 2j2i s LEU 193 Cb -0.45 -3.61 -0.03 0.00 0.50 0.00 0.00 46.19 42.60 2j2i s LEU 193 CO 0.48 -0.52 0.07 -1.59 -1.32 0.00 0.00 176.35 173.48 2j2i s LYS 194 N -0.13 0.86 0.01 1.98 -2.85 -1.26 -4.92 119.74 113.44 2j2i s LYS 194 Ca 0.56 -1.32 0.23 0.00 -1.00 0.00 0.00 55.97 54.45 2j2i s LYS 194 Cb -0.36 0.26 0.20 0.00 -2.06 0.00 0.00 37.83 35.87 2j2i s LYS 194 CO 0.38 -0.24 1.19 -0.25 0.10 0.00 0.00 175.35 176.54 2j2i n ASP 195 N -0.05 0.68 -4.77 0.03 8.00 -1.26 -4.59 116.55 114.59 2j2i n ASP 195 Ca -0.09 -0.48 -0.23 0.00 0.71 0.00 0.00 54.79 54.70 2j2i n ASP 195 Cb 0.63 0.57 0.09 0.00 -0.02 0.00 0.00 41.12 42.38 2j2i n ASP 195 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2j2i s THR 196 N -3.03 2.25 0.33 -3.53 -4.23 -1.26 -4.98 115.64 101.19 2j2i s THR 196 Ca 0.09 -0.64 -0.27 0.00 -1.18 0.00 0.00 61.69 59.69 2j2i s THR 196 Cb 0.17 -2.61 -0.09 0.00 1.34 0.00 0.00 72.50 71.30 2j2i s THR 196 CO 0.77 0.00 1.03 0.54 -0.54 0.00 0.00 174.62 176.42 2j2i s VAL 197 N -3.02 3.80 -0.14 2.29 0.11 -1.26 -4.69 120.40 117.48 2j2i s VAL 197 Ca 0.64 1.57 -0.09 0.00 -2.93 0.00 0.00 61.98 61.17 2j2i s VAL 197 Cb -0.06 -3.91 -0.05 0.00 -1.53 0.00 0.00 36.38 30.83 2j2i s VAL 197 CO 0.43 0.19 0.17 -0.31 -3.33 0.00 0.00 175.10 172.25 2j2i s TYR 198 N -1.45 3.53 0.00 1.54 2.02 0.73 -4.97 117.35 118.75 2j2i s TYR 198 Ca 0.50 0.50 0.00 0.00 -0.37 0.00 0.00 57.07 57.70 2j2i s TYR 198 Cb -0.25 -2.08 0.00 0.00 -0.40 0.00 0.00 41.96 39.23 2j2i s TYR 198 CO 0.31 0.52 0.93 0.25 -1.57 0.00 0.00 175.55 175.99 2j2i n THR 199 N 2.69 0.86 -4.69 -0.71 -2.24 -1.26 -1.67 114.28 107.25 2j2i n THR 199 Ca -0.17 -0.89 -0.26 0.00 -2.27 0.00 0.00 64.05 60.46 2j2i n THR 199 Cb 0.53 0.58 -0.14 0.00 -2.10 0.00 0.00 70.33 69.20 2j2i n THR 199 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2j2i s ASP 200 N -0.86 2.42 -0.24 3.42 -4.77 -1.26 -4.88 116.67 110.51 2j2i s ASP 200 Ca 0.00 -0.49 -0.06 0.00 -3.30 0.00 0.00 52.55 48.70 2j2i s ASP 200 Cb 0.00 -0.21 0.12 0.00 -1.09 0.00 0.00 42.92 41.73 2j2i s ASP 200 CO 0.00 0.17 0.48 0.12 0.70 0.00 0.00 175.17 176.64 2j2i s PHE 201 N -0.74 -0.99 -0.09 2.11 5.36 -1.26 -5.01 117.98 117.35 2j2i s PHE 201 Ca 0.07 1.60 0.13 0.00 -0.96 0.00 0.00 56.93 57.77 2j2i s PHE 201 Cb -0.09 0.39 0.20 0.00 -0.34 0.00 0.00 43.02 43.19 2j2i s PHE 201 CO 0.01 -0.60 1.10 -0.40 -1.46 0.00 0.00 175.22 173.87 2j2i n ASP 202 N 5.40 2.08 -2.65 6.13 5.75 -1.26 -5.04 116.55 126.96 2j2i n ASP 202 Ca -0.08 -2.75 0.00 0.00 -0.01 0.00 0.00 54.79 51.95 2j2i n ASP 202 Cb 0.50 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 40.27 2j2i n ASP 202 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2j2i n GLY 203 N -1.12 -1.01 3.66 6.12 0.00 -1.26 -4.94 105.19 106.64 2j2i n GLY 203 Ca 0.11 -1.63 -0.41 0.00 0.00 0.00 0.00 46.02 44.09 2j2i n GLY 203 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2j2i s THR 204 N -0.39 4.88 0.17 2.61 2.01 -1.26 -4.98 115.64 118.67 2j2i s THR 204 Ca 0.00 1.55 -0.15 0.00 0.31 0.00 0.00 61.69 63.40 2j2i s THR 204 Cb 0.00 -4.10 0.05 0.00 0.01 0.00 0.00 72.50 68.46 2j2i s THR 204 CO 0.00 -0.00 1.74 -0.09 -0.69 0.00 0.00 174.62 175.57 2j2i h ARG 205 N 7.49 0.25 0.00 4.92 2.43 -1.96 -2.04 114.38 125.47 2j2i h ARG 205 Ca -0.27 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 2j2i h ARG 205 Cb 1.12 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 2j2i h ARG 205 CO 0.84 0.16 0.00 1.33 -1.51 0.00 0.00 179.97 180.80 2j2i n VAL 206 N -5.06 0.96 0.30 0.20 0.24 -1.26 -0.05 118.33 113.65 2j2i n VAL 206 Ca 0.03 0.24 0.10 0.00 -2.04 0.00 0.00 64.34 62.67 2j2i n VAL 206 Cb 0.17 -1.04 0.17 0.00 -1.47 0.00 0.00 33.84 31.67 2j2i n VAL 206 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2j2i n TYR 207 N -1.67 0.37 -3.38 6.34 4.01 -0.79 -4.83 117.16 117.21 2j2i n TYR 207 Ca 0.03 -0.23 -0.36 0.00 -0.16 0.00 0.00 57.90 57.18 2j2i n TYR 207 Cb 0.18 -0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.15 2j2i n TYR 207 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 2j2i s SER 208 N -1.34 6.86 0.59 7.72 1.04 0.92 -4.09 113.70 125.41 2j2i s SER 208 Ca 0.31 1.08 -0.08 0.00 0.48 0.00 0.00 55.95 57.73 2j2i s SER 208 Cb 0.18 -2.29 -0.02 0.00 0.10 0.00 0.00 66.02 64.00 2j2i s SER 208 CO 0.26 0.18 0.95 -2.16 0.98 0.00 0.00 173.24 173.45 2j2i s PRO 209 N -1.62 3.31 0.39 4.02 0.04 -1.26 -4.87 135.00 135.00 2j2i s PRO 209 Ca 0.33 0.39 0.06 0.00 0.04 0.00 0.00 61.00 61.82 2j2i s PRO 209 Cb -0.16 -2.19 0.78 0.00 0.04 0.00 0.00 34.50 32.96 2j2i s PRO 209 CO 0.18 -0.58 2.01 -1.00 0.04 0.00 0.00 177.00 177.65 2j2i h PRO 210 N -0.20 0.56 0.00 0.56 0.13 -1.89 -0.94 132.00 130.22 2j2i h PRO 210 Ca -0.45 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 64.58 2j2i h PRO 210 Cb 1.22 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 2j2i h PRO 210 CO 0.62 0.42 -0.23 1.05 -0.23 0.00 0.00 178.00 179.63 2j2i h GLU 211 N 0.56 0.00 0.03 0.86 9.09 -1.85 0.20 114.58 123.47 2j2i h GLU 211 Ca 0.14 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.55 2j2i h GLU 211 Cb 0.04 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.14 2j2i h GLU 211 CO -0.02 0.23 -0.02 2.35 0.05 0.00 0.00 179.01 181.60 2j2i h TRP 212 N 0.00 -0.04 -0.44 2.06 2.91 -1.20 -0.37 115.95 118.86 2j2i h TRP 212 Ca -0.00 -0.00 0.08 0.00 1.13 0.00 0.00 58.89 60.10 2j2i h TRP 212 Cb 0.41 0.01 -0.07 0.00 -0.51 0.00 0.00 29.16 29.00 2j2i h TRP 212 CO 0.00 0.45 -0.03 0.82 -1.03 0.00 0.00 178.44 178.66 2j2i h ILE 213 N -0.56 0.64 0.17 2.65 1.08 -0.92 -0.10 117.51 120.47 2j2i h ILE 213 Ca -0.00 -0.03 -0.29 0.00 -0.39 0.00 0.00 64.86 64.15 2j2i h ILE 213 Cb 0.51 0.55 0.03 0.00 -3.07 0.00 0.00 36.82 34.84 2j2i h ILE 213 CO 0.01 0.01 -1.25 0.03 -0.69 0.00 0.00 178.15 176.27 2j2i h ARG 214 N 0.08 0.55 0.00 2.37 3.08 -0.69 -3.41 114.38 116.36 2j2i h ARG 214 Ca 0.22 -0.81 0.00 0.00 0.07 0.00 0.00 59.98 59.45 2j2i h ARG 214 Cb 0.32 0.28 0.00 0.00 0.08 0.00 0.00 29.97 30.66 2j2i h ARG 214 CO -0.39 1.38 0.00 0.66 -1.07 0.00 0.00 179.97 180.55 2j2i n TYR 215 N -3.83 0.00 -3.77 3.04 4.01 -0.16 -5.01 117.16 111.44 2j2i n TYR 215 Ca -0.15 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.31 2j2i n TYR 215 Cb 0.99 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 40.05 2j2i n TYR 215 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 2j2i n HIS 216 N -0.41 -2.23 -3.83 -0.72 8.25 -0.05 -4.97 115.22 111.26 2j2i n HIS 216 Ca 0.00 0.82 -0.12 0.00 -0.26 0.00 0.00 57.72 58.16 2j2i n HIS 216 Cb 0.03 -3.90 -0.13 0.00 1.12 0.00 0.00 29.99 27.11 2j2i n HIS 216 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2j2i s ARG 217 N -6.47 0.15 0.17 -0.41 0.52 -1.22 -4.44 118.95 107.25 2j2i s ARG 217 Ca 0.61 0.18 -0.20 0.00 -0.52 0.00 0.00 55.73 55.80 2j2i s ARG 217 Cb -0.30 0.07 0.05 0.00 0.52 0.00 0.00 34.95 35.28 2j2i s ARG 217 CO 0.75 -0.02 0.55 1.52 0.02 0.00 0.00 175.30 178.11 2j2i s TYR 218 N 0.08 -0.32 0.03 -0.53 -0.85 -0.67 -3.40 117.35 111.69 2j2i s TYR 218 Ca -0.00 0.03 0.02 0.00 -0.52 0.00 0.00 57.07 56.60 2j2i s TYR 218 Cb -0.01 0.46 -0.04 0.00 0.38 0.00 0.00 41.96 42.76 2j2i s TYR 218 CO 0.00 -0.87 0.03 -1.01 -1.52 0.00 0.00 175.55 172.18 2j2i s HIS 219 N -3.81 3.12 0.09 -3.49 3.76 -1.26 -0.19 115.29 113.50 2j2i s HIS 219 Ca 0.05 0.08 -0.27 0.00 -0.15 0.00 0.00 55.06 54.77 2j2i s HIS 219 Cb -0.01 -1.65 -0.15 0.00 1.11 0.00 0.00 32.58 31.88 2j2i s HIS 219 CO -0.08 0.49 1.69 0.78 -0.85 0.00 0.00 174.74 176.77 2j2i h GLY 220 N 3.95 -0.35 0.83 -2.22 0.00 -1.84 -1.43 103.07 102.01 2j2i h GLY 220 Ca -0.48 0.15 -0.05 0.00 0.00 0.00 0.00 47.33 46.94 2j2i h GLY 220 CO 0.60 -0.14 -0.06 3.21 0.00 0.00 0.00 176.54 180.15 2j2i h ARG 221 N -0.35 0.45 -0.05 4.80 3.08 -1.97 0.06 114.38 120.39 2j2i h ARG 221 Ca -0.02 -0.17 -0.13 0.00 0.07 0.00 0.00 59.98 59.73 2j2i h ARG 221 Cb 0.29 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 2j2i h ARG 221 CO 0.03 0.68 -0.55 0.66 -1.07 0.00 0.00 179.97 179.72 2j2i h SER 222 N 0.18 0.17 -0.49 7.04 4.64 -1.90 -1.47 113.55 121.72 2j2i h SER 222 Ca 0.06 -0.09 -0.11 0.00 -0.47 0.00 0.00 61.79 61.18 2j2i h SER 222 Cb 0.52 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.54 2j2i h SER 222 CO 0.02 0.69 -0.09 0.00 -0.87 0.00 0.00 176.83 176.58 2j2i h ALA 223 N 1.32 0.85 -0.62 5.18 0.00 -1.14 -2.03 119.26 122.82 2j2i h ALA 223 Ca -0.00 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.59 2j2i h ALA 223 Cb 1.01 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 2j2i h ALA 223 CO 0.08 0.65 0.39 0.00 0.00 0.00 0.00 179.25 180.38 2j2i h ALA 224 N 1.02 0.80 -0.60 0.00 0.00 -0.51 -2.13 119.26 117.84 2j2i h ALA 224 Ca 0.14 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 2j2i h ALA 224 Cb 0.64 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2j2i h ALA 224 CO 0.04 0.17 0.06 0.28 0.00 0.00 0.00 179.25 179.80 2j2i h VAL 225 N 0.79 1.26 -0.10 0.00 2.07 -1.13 -1.50 116.25 117.63 2j2i h VAL 225 Ca 0.24 -1.05 0.04 0.00 0.82 0.00 0.00 66.70 66.75 2j2i h VAL 225 Cb -0.03 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 2j2i h VAL 225 CO -0.08 0.39 -0.14 -0.25 0.02 0.00 0.00 177.57 177.50 2j2i h TRP 226 N 0.94 -0.36 -0.33 1.57 2.91 -1.04 -0.85 115.95 118.79 2j2i h TRP 226 Ca 0.18 0.02 0.01 0.00 1.13 0.00 0.00 58.89 60.23 2j2i h TRP 226 Cb 0.46 0.18 -0.02 0.00 -0.51 0.00 0.00 29.16 29.27 2j2i h TRP 226 CO 0.03 -0.21 0.22 0.66 -1.03 0.00 0.00 178.44 178.11 2j2i h SER 227 N -0.19 0.36 0.00 2.65 4.64 -0.94 -1.52 113.55 118.56 2j2i h SER 227 Ca 0.08 -0.01 -0.13 0.00 -0.47 0.00 0.00 61.79 61.27 2j2i h SER 227 Cb 0.31 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 2j2i h SER 227 CO -0.22 0.26 -0.40 -0.07 -0.87 0.00 0.00 176.83 175.53 2j2i h LEU 228 N 0.42 0.54 -0.54 5.97 3.38 -0.61 -0.87 115.31 123.61 2j2i h LEU 228 Ca 0.13 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 2j2i h LEU 228 Cb -0.01 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2j2i h LEU 228 CO -0.03 0.89 0.21 1.23 0.09 0.00 0.00 178.44 180.83 2j2i h GLY 229 N 1.08 0.86 0.97 0.83 0.00 -0.19 -0.48 103.07 106.14 2j2i h GLY 229 Ca 0.04 -0.47 0.01 0.00 0.00 0.00 0.00 47.33 46.90 2j2i h GLY 229 CO 0.08 0.45 0.19 -2.22 0.00 0.00 0.00 176.54 175.03 2j2i h ILE 230 N 0.73 1.06 -0.40 2.60 1.08 -1.21 -1.58 117.51 119.78 2j2i h ILE 230 Ca 0.18 -0.13 0.01 0.00 -0.39 0.00 0.00 64.86 64.53 2j2i h ILE 230 Cb 0.20 0.64 -0.02 0.00 -3.07 0.00 0.00 36.82 34.57 2j2i h ILE 230 CO -0.01 0.07 0.24 0.25 -0.69 0.00 0.00 178.15 178.01 2j2i h LEU 231 N 0.38 0.41 -0.35 1.44 5.85 -0.98 -0.27 115.31 121.79 2j2i h LEU 231 Ca 0.11 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 2j2i h LEU 231 Cb -0.02 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 2j2i h LEU 231 CO -0.04 0.29 0.15 0.25 -0.34 0.00 0.00 178.44 178.76 2j2i h LEU 232 N 0.50 0.47 -0.20 2.25 5.85 -0.94 -0.56 115.31 122.67 2j2i h LEU 232 Ca 0.15 -0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.77 2j2i h LEU 232 Cb -0.02 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 2j2i h LEU 232 CO -0.06 0.48 -0.06 0.22 -0.34 0.00 0.00 178.44 178.68 2j2i h TYR 233 N 0.42 -0.15 -0.80 1.25 3.20 -1.10 -1.93 116.97 117.86 2j2i h TYR 233 Ca 0.12 0.02 0.14 0.00 3.14 0.00 0.00 58.73 62.15 2j2i h TYR 233 Cb 0.15 0.10 -0.09 0.00 1.54 0.00 0.00 36.73 38.42 2j2i h TYR 233 CO -0.01 -0.11 0.38 0.22 -1.64 0.00 0.00 178.16 177.00 2j2i h ASP 234 N -0.02 0.42 -0.13 -2.11 3.58 -0.71 0.22 116.42 117.68 2j2i h ASP 234 Ca 0.10 0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.64 2j2i h ASP 234 Cb 0.18 0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.26 2j2i h ASP 234 CO -0.22 0.18 0.04 0.24 -2.88 0.00 0.00 179.24 176.60 2j2i h MET 235 N 0.55 0.20 0.00 0.28 2.86 -0.49 0.32 114.93 118.65 2j2i h MET 235 Ca 0.43 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 58.03 2j2i h MET 235 Cb 0.61 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.25 2j2i h MET 235 CO -0.37 0.34 -0.64 1.33 1.06 0.00 0.00 176.91 178.64 2j2i n VAL 236 N -4.86 0.31 0.16 -2.22 0.24 -0.78 -0.33 118.33 110.84 2j2i n VAL 236 Ca -0.05 -0.25 0.06 0.00 -2.04 0.00 0.00 64.34 62.06 2j2i n VAL 236 Cb 0.14 -0.08 -0.09 0.00 -1.47 0.00 0.00 33.84 32.35 2j2i n VAL 236 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2j2i n GLY 238 N 1.65 0.85 3.42 0.00 0.00 0.11 -4.58 105.19 106.65 2j2i n GLY 238 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 2j2i n GLY 238 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2j2i s ASP 239 N -2.78 -0.43 0.60 1.61 -1.08 -1.21 -4.83 116.67 108.55 2j2i s ASP 239 Ca 0.00 -0.16 -0.17 0.00 -0.52 0.00 0.00 52.55 51.70 2j2i s ASP 239 Cb 0.00 0.57 -0.03 0.00 -1.46 0.00 0.00 42.92 42.00 2j2i s ASP 239 CO 0.00 -0.96 1.09 0.27 0.52 0.00 0.00 175.17 176.08 2j2i s ILE 240 N -3.79 3.49 0.03 4.11 -4.36 -1.26 -3.65 121.20 115.78 2j2i s ILE 240 Ca 0.03 0.76 0.15 0.00 -0.26 0.00 0.00 60.65 61.33 2j2i s ILE 240 Cb -0.00 -3.27 0.04 0.00 1.25 0.00 0.00 42.46 40.48 2j2i s ILE 240 CO -0.11 -0.37 1.54 1.55 0.24 0.00 0.00 174.94 177.79 2j2i h PRO 241 N 0.53 0.00 -5.32 0.37 0.13 -1.93 -3.46 132.00 122.32 2j2i h PRO 241 Ca -0.48 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.14 2j2i h PRO 241 Cb 1.24 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.07 2j2i h PRO 241 CO 0.56 0.54 -0.82 -0.06 -0.23 0.00 0.00 178.00 177.99 2j2i s PHE 242 N -3.20 1.45 -0.20 1.56 0.08 -1.26 -4.91 117.98 111.50 2j2i s PHE 242 Ca 0.02 -0.33 -0.10 0.00 0.12 0.00 0.00 56.93 56.64 2j2i s PHE 242 Cb 0.09 -0.95 -0.08 0.00 -0.57 0.00 0.00 43.02 41.51 2j2i s PHE 242 CO 0.74 -0.07 -0.26 -0.85 -0.10 0.00 0.00 175.22 174.68 2j2i n GLU 243 N 2.89 0.42 -3.93 0.44 0.28 -1.26 -4.92 120.64 114.56 2j2i n GLU 243 Ca -0.16 0.18 -0.27 0.00 -0.16 0.00 0.00 57.16 56.76 2j2i n GLU 243 Cb 0.54 -1.20 -0.03 0.00 1.43 0.00 0.00 31.44 32.18 2j2i n GLU 243 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 2j2i s HIS 244 N -2.37 3.49 0.35 -1.84 3.76 -1.26 -4.93 115.29 112.49 2j2i s HIS 244 Ca -0.28 0.14 0.13 0.00 -0.15 0.00 0.00 55.06 54.91 2j2i s HIS 244 Cb 0.10 -1.68 0.98 0.00 1.11 0.00 0.00 32.58 33.09 2j2i s HIS 244 CO 0.35 0.52 1.73 -0.44 -0.85 0.00 0.00 174.74 176.06 2j2i h ASP 245 N 2.27 0.59 0.34 1.40 5.19 -1.99 -1.90 116.42 122.31 2j2i h ASP 245 Ca -0.48 0.12 -0.11 0.00 -0.62 0.00 0.00 57.03 55.94 2j2i h ASP 245 Cb 1.19 0.03 -0.01 0.00 0.18 0.00 0.00 39.33 40.72 2j2i h ASP 245 CO 0.70 0.08 -0.46 -0.33 -3.12 0.00 0.00 179.24 176.11 2j2i h GLU 246 N 0.50 0.15 -0.17 3.56 3.07 -1.98 -1.19 114.58 118.53 2j2i h GLU 246 Ca 0.64 -0.08 -0.11 0.00 -0.50 0.00 0.00 59.36 59.31 2j2i h GLU 246 Cb 1.37 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.28 2j2i h GLU 246 CO -0.43 0.59 -0.33 0.93 -1.40 0.00 0.00 179.01 178.37 2j2i h GLU 247 N 0.13 0.52 -0.56 2.33 5.08 -1.77 -2.07 114.58 118.24 2j2i h GLU 247 Ca 0.01 -0.33 0.08 0.00 -1.00 0.00 0.00 59.36 58.11 2j2i h GLU 247 Cb 0.86 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 30.09 2j2i h GLU 247 CO 0.07 0.94 0.23 0.82 -1.00 0.00 0.00 179.01 180.07 2j2i h ILE 248 N 0.17 0.83 -0.00 3.13 2.04 -0.96 -2.37 117.51 120.35 2j2i h ILE 248 Ca 0.01 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.72 2j2i h ILE 248 Cb 0.92 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 2j2i h ILE 248 CO 0.07 0.08 -0.16 2.30 0.00 0.00 0.00 178.15 180.44 2j2i n ILE 249 N -4.96 0.00 0.16 -0.67 -5.35 -0.50 -4.40 119.36 103.64 2j2i n ILE 249 Ca 0.07 -0.06 0.03 0.00 -0.27 0.00 0.00 62.75 62.52 2j2i n ILE 249 Cb 0.22 -0.02 0.18 0.00 -1.74 0.00 0.00 39.64 38.28 2j2i n ILE 249 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 2j2i h GLY 250 N 4.97 0.00 0.00 3.28 0.00 -0.81 -3.48 103.07 107.03 2j2i h GLY 250 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2j2i h GLY 250 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2j2i n GLY 251 N 0.69 0.70 3.22 4.60 0.00 -1.26 -5.04 105.19 108.10 2j2i n GLY 251 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 2j2i n GLY 251 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2j2i s GLN 252 N -0.36 3.11 -0.24 1.61 -0.21 -1.26 -5.00 119.66 117.30 2j2i s GLN 252 Ca 0.00 -0.82 -0.04 0.00 0.02 0.00 0.00 55.36 54.53 2j2i s GLN 252 Cb 0.00 -2.48 0.01 0.00 1.00 0.00 0.00 33.01 31.54 2j2i s GLN 252 CO 0.00 0.05 -0.03 0.08 -2.12 0.00 0.00 175.29 173.27 2j2i s VAL 253 N 0.69 3.30 -0.15 1.09 1.01 -1.26 -5.01 120.40 120.08 2j2i s VAL 253 Ca -0.09 -0.72 -0.08 0.00 0.00 0.00 0.00 61.98 61.09 2j2i s VAL 253 Cb -0.16 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 2j2i s VAL 253 CO 0.01 0.28 0.13 -0.36 0.00 0.00 0.00 175.10 175.16 2j2i s PHE 254 N 1.43 3.50 -0.28 5.22 0.08 -1.26 -5.09 117.98 121.59 2j2i s PHE 254 Ca 0.03 0.43 -0.11 0.00 0.12 0.00 0.00 56.93 57.40 2j2i s PHE 254 Cb -0.16 -2.03 -0.05 0.00 -0.57 0.00 0.00 43.02 40.22 2j2i s PHE 254 CO -0.03 0.54 0.21 -0.06 -0.10 0.00 0.00 175.22 175.78 2j2i s PHE 255 N -0.43 3.23 -0.70 0.36 0.08 -1.26 -4.96 117.98 114.29 2j2i s PHE 255 Ca 0.12 0.15 0.25 0.00 0.12 0.00 0.00 56.93 57.57 2j2i s PHE 255 Cb -0.12 -2.40 0.42 0.00 -0.57 0.00 0.00 43.02 40.36 2j2i s PHE 255 CO 0.01 -0.16 1.38 2.89 -0.10 0.00 0.00 175.22 179.25 2j2i n ARG 256 N 5.07 0.24 -4.35 0.44 1.85 -1.26 -4.91 116.66 113.74 2j2i n ARG 256 Ca -0.13 0.08 -0.18 0.00 -1.00 0.00 0.00 57.85 56.61 2j2i n ARG 256 Cb 0.52 -1.66 -0.10 0.00 -1.05 0.00 0.00 32.46 30.16 2j2i n ARG 256 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 2j2i s GLN 257 N -3.14 1.34 -0.07 2.89 -1.52 -1.26 -5.10 119.66 112.80 2j2i s GLN 257 Ca 0.07 -1.62 -0.30 0.00 -1.95 0.00 0.00 55.36 51.57 2j2i s GLN 257 Cb 0.14 -1.04 -0.05 0.00 -0.22 0.00 0.00 33.01 31.84 2j2i s GLN 257 CO 0.70 0.13 1.60 0.50 -0.25 0.00 0.00 175.29 177.97 2j2i s ARG 258 N -3.68 4.18 -0.01 2.91 6.06 -1.26 -4.99 118.95 122.16 2j2i s ARG 258 Ca 0.23 2.11 0.01 0.00 -2.50 0.00 0.00 55.73 55.59 2j2i s ARG 258 Cb 0.01 -3.96 0.00 0.00 0.06 0.00 0.00 34.95 31.06 2j2i s ARG 258 CO 0.07 -0.83 -0.04 0.08 -2.50 0.00 0.00 175.30 172.08 2j2i s VAL 259 N 3.98 0.37 0.74 7.11 1.01 -1.26 -5.00 120.40 127.36 2j2i s VAL 259 Ca 0.71 -0.16 -0.15 0.00 0.00 0.00 0.00 61.98 62.37 2j2i s VAL 259 Cb -0.32 -0.34 0.05 0.00 0.00 0.00 0.00 36.38 35.77 2j2i s VAL 259 CO 0.27 0.12 1.23 -0.94 0.00 0.00 0.00 175.10 175.79 2j2i s SER 260 N 0.11 4.01 0.25 3.32 1.04 -1.26 -4.76 113.70 116.41 2j2i s SER 260 Ca -0.01 2.44 -0.06 0.00 0.48 0.00 0.00 55.95 58.80 2j2i s SER 260 Cb -0.04 -2.60 0.27 0.00 0.10 0.00 0.00 66.02 63.75 2j2i s SER 260 CO -0.00 -2.39 1.92 0.28 0.98 0.00 0.00 173.24 174.03 2j2i h SER 261 N -0.36 1.13 -0.41 7.02 0.02 -2.01 -0.68 113.55 118.26 2j2i h SER 261 Ca -0.48 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.42 2j2i h SER 261 Cb 1.31 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.55 2j2i h SER 261 CO 0.49 0.81 0.15 -0.33 -1.14 0.00 0.00 176.83 176.80 2j2i h GLU 262 N 1.33 0.62 -0.43 3.45 4.39 -2.00 -1.33 114.58 120.61 2j2i h GLU 262 Ca 0.37 -0.12 -0.02 0.00 0.34 0.00 0.00 59.36 59.93 2j2i h GLU 262 Cb -0.12 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.42 2j2i h GLU 262 CO -0.09 0.60 0.21 0.00 -1.16 0.00 0.00 179.01 178.57 2j2i h GLN 264 N 0.55 0.72 -0.25 0.00 4.20 -1.02 -0.98 115.11 118.32 2j2i h GLN 264 Ca 0.15 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.81 2j2i h GLN 264 Cb 0.11 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 2j2i h GLN 264 CO -0.02 0.48 0.14 1.25 -0.67 0.00 0.00 178.83 180.01 2j2i h HIS 265 N 0.74 0.34 -0.47 2.96 2.76 -0.90 0.21 115.15 120.80 2j2i h HIS 265 Ca 0.36 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.50 2j2i h HIS 265 Cb 0.30 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 29.13 2j2i h HIS 265 CO -0.07 0.28 0.19 1.25 -1.30 0.00 0.00 177.93 178.28 2j2i h LEU 266 N 0.31 0.65 -0.10 0.26 5.85 -0.98 -0.59 115.31 120.71 2j2i h LEU 266 Ca 0.09 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.65 2j2i h LEU 266 Cb 0.05 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 2j2i h LEU 266 CO -0.02 0.64 0.03 0.40 -0.34 0.00 0.00 178.44 179.16 2j2i h ILE 267 N 0.62 0.98 -0.06 4.05 2.04 -1.00 -0.77 117.51 123.36 2j2i h ILE 267 Ca 0.16 -0.03 -0.04 0.00 1.00 0.00 0.00 64.86 65.95 2j2i h ILE 267 Cb 0.19 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 2j2i h ILE 267 CO -0.01 0.01 -0.14 0.03 0.00 0.00 0.00 178.15 178.05 2j2i h ARG 268 N 0.08 0.10 -0.05 2.37 3.08 -0.73 -1.02 114.38 118.21 2j2i h ARG 268 Ca 0.04 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 2j2i h ARG 268 Cb 0.02 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.06 2j2i h ARG 268 CO -0.04 0.24 -0.07 2.35 -1.07 0.00 0.00 179.97 181.38 2j2i h TRP 269 N 0.09 0.17 -0.23 3.04 7.01 -0.73 -2.64 115.95 122.67 2j2i h TRP 269 Ca 0.02 -0.06 0.04 0.00 2.11 0.00 0.00 58.89 61.00 2j2i h TRP 269 Cb 0.30 -0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 27.32 2j2i h TRP 269 CO 0.00 0.63 0.16 0.00 -2.79 0.00 0.00 178.44 176.43 2j2i n LEU 271 N -4.49 6.10 -4.67 0.00 4.77 -0.42 -3.77 117.00 114.51 2j2i n LEU 271 Ca 0.02 -3.17 -0.45 0.00 -0.03 0.00 0.00 56.01 52.38 2j2i n LEU 271 Cb 0.22 -0.75 -0.03 0.00 -2.33 0.00 0.00 43.42 40.53 2j2i n LEU 271 CO 0.35 0.80 1.06 0.00 -1.33 0.00 0.00 177.39 178.28 2j2i n ALA 272 N -0.15 1.24 -0.21 -1.18 0.00 -0.89 -4.90 120.51 114.42 2j2i n ALA 272 Ca 0.41 0.42 -0.06 0.00 0.00 0.00 0.00 53.44 54.21 2j2i n ALA 272 Cb 1.39 -2.30 0.04 0.00 0.00 0.00 0.00 19.45 18.57 2j2i n ALA 272 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2j2i h LEU 273 N 4.61 0.69 -9.11 0.00 3.38 -1.92 -3.40 115.31 109.56 2j2i h LEU 273 Ca -0.45 -0.03 -0.58 0.00 0.09 0.00 0.00 57.88 56.91 2j2i h LEU 273 Cb 1.27 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.78 2j2i h LEU 273 CO 0.79 0.52 0.61 -0.60 0.09 0.00 0.00 178.44 179.84 2j2i s ARG 274 N -6.10 4.27 0.34 1.13 6.06 -1.26 -4.74 118.95 118.65 2j2i s ARG 274 Ca -0.13 1.19 0.09 0.00 -2.50 0.00 0.00 55.73 54.38 2j2i s ARG 274 Cb 0.13 -3.62 0.81 0.00 0.06 0.00 0.00 34.95 32.33 2j2i s ARG 274 CO 0.76 -0.50 1.82 -1.35 -2.50 0.00 0.00 175.30 173.53 2j2i h PRO 275 N 7.44 0.68 0.00 5.12 0.11 -1.96 -0.82 132.00 142.57 2j2i h PRO 275 Ca -0.23 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2j2i h PRO 275 Cb 1.09 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.05 2j2i h PRO 275 CO 0.91 0.45 0.00 0.66 -0.21 0.00 0.00 178.00 179.81 2j2i h SER 276 N 0.70 0.00 0.30 -2.05 4.64 -1.94 -2.54 113.55 112.66 2j2i h SER 276 Ca 0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.83 2j2i h SER 276 Cb 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 2j2i h SER 276 CO -0.28 0.00 -0.13 0.47 -0.87 0.00 0.00 176.83 176.03 2j2i n ASP 277 N -2.33 0.62 -4.84 4.97 8.00 -0.31 -4.93 116.55 117.72 2j2i n ASP 277 Ca 0.02 -0.71 -0.32 0.00 0.71 0.00 0.00 54.79 54.49 2j2i n ASP 277 Cb 0.22 -0.03 -0.05 0.00 -0.02 0.00 0.00 41.12 41.25 2j2i n ASP 277 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2j2i s ARG 278 N -2.43 3.99 0.60 -1.24 0.52 -0.96 -4.85 118.95 114.58 2j2i s ARG 278 Ca 0.29 0.85 -0.17 0.00 -0.52 0.00 0.00 55.73 56.19 2j2i s ARG 278 Cb 0.20 -2.25 -0.03 0.00 0.52 0.00 0.00 34.95 33.39 2j2i s ARG 278 CO 0.47 -0.09 1.09 -1.25 0.02 0.00 0.00 175.30 175.53 2j2i s PRO 279 N -3.63 3.19 0.91 3.54 0.04 -1.26 -5.04 135.00 132.75 2j2i s PRO 279 Ca 0.57 1.36 -0.12 0.00 0.04 0.00 0.00 61.00 62.85 2j2i s PRO 279 Cb -0.10 -2.01 0.14 0.00 0.04 0.00 0.00 34.50 32.57 2j2i s PRO 279 CO 0.24 -0.93 1.12 0.95 0.04 0.00 0.00 177.00 178.42 2j2i s THR 280 N -2.25 2.23 0.28 1.26 -4.23 -1.26 -4.85 115.64 106.82 2j2i s THR 280 Ca 0.67 0.07 -0.01 0.00 -1.18 0.00 0.00 61.69 61.24 2j2i s THR 280 Cb -0.19 -2.76 0.28 0.00 1.34 0.00 0.00 72.50 71.17 2j2i s THR 280 CO 0.35 -0.10 1.89 -0.26 -0.54 0.00 0.00 174.62 175.96 2j2i h PHE 281 N -1.51 1.16 -0.45 3.99 0.04 -1.97 -1.37 116.94 116.83 2j2i h PHE 281 Ca -0.51 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.30 2j2i h PHE 281 Cb 1.32 -0.38 -0.02 0.00 2.20 0.00 0.00 35.95 39.07 2j2i h PHE 281 CO 0.33 0.60 0.29 1.49 -0.60 0.00 0.00 178.31 180.41 2j2i h GLU 282 N 1.13 0.60 -0.42 1.51 4.81 -1.98 -1.25 114.58 118.97 2j2i h GLU 282 Ca 0.43 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.50 2j2i h GLU 282 Cb 0.19 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 2j2i h GLU 282 CO -0.17 0.41 -0.19 0.93 -0.73 0.00 0.00 179.01 179.26 2j2i h GLU 283 N 0.61 0.81 0.37 1.92 5.08 -1.80 -0.33 114.58 121.23 2j2i h GLU 283 Ca 0.16 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 2j2i h GLU 283 Cb -0.05 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 2j2i h GLU 283 CO -0.03 0.94 -0.20 0.82 -1.00 0.00 0.00 179.01 179.53 2j2i h ILE 284 N 0.72 0.58 0.00 3.13 2.04 -1.08 -2.03 117.51 120.86 2j2i h ILE 284 Ca 0.10 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.95 2j2i h ILE 284 Cb 0.70 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 37.36 2j2i h ILE 284 CO 0.05 0.00 -0.06 1.56 0.00 0.00 0.00 178.15 179.70 2j2i h GLN 285 N -0.53 0.00 -0.01 2.37 4.20 -1.05 -1.54 115.11 118.55 2j2i h GLN 285 Ca -0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2j2i h GLN 285 Cb 0.43 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.21 2j2i h GLN 285 CO 0.06 0.06 -0.17 0.09 -0.67 0.00 0.00 178.83 178.21 2j2i n ASN 286 N -3.23 0.94 -4.77 1.46 3.02 -0.15 -4.77 115.26 107.77 2j2i n ASN 286 Ca -0.00 -0.92 -0.40 0.00 -0.03 0.00 0.00 54.58 53.22 2j2i n ASN 286 Cb 0.30 0.05 -0.00 0.00 -0.61 0.00 0.00 39.78 39.52 2j2i n ASN 286 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 2j2i s HIS 287 N -2.39 2.70 0.39 3.10 2.46 -0.58 -4.90 115.29 116.07 2j2i s HIS 287 Ca 0.29 1.31 0.13 0.00 0.47 0.00 0.00 55.06 57.26 2j2i s HIS 287 Cb 0.20 -3.82 0.96 0.00 -0.13 0.00 0.00 32.58 29.78 2j2i s HIS 287 CO 0.47 -2.50 1.87 -1.35 -2.47 0.00 0.00 174.74 170.75 2j2i h PRO 288 N 2.76 0.52 -0.04 2.88 0.11 -1.91 -0.54 132.00 135.77 2j2i h PRO 288 Ca -0.50 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.59 2j2i h PRO 288 Cb 1.25 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 2j2i h PRO 288 CO 0.63 0.35 0.04 2.35 -0.21 0.00 0.00 178.00 181.15 2j2i h TRP 289 N 0.54 0.00 -0.08 0.65 7.01 -1.90 -2.71 115.95 119.45 2j2i h TRP 289 Ca 0.45 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.45 2j2i h TRP 289 Cb 0.92 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.98 2j2i h TRP 289 CO -0.00 0.00 0.00 -1.33 -2.79 0.00 0.00 178.44 174.32 2j2i n MET 290 N -4.20 1.55 -2.39 2.65 2.81 -0.21 -4.93 117.12 112.40 2j2i n MET 290 Ca -0.02 -0.81 -0.32 0.00 -1.81 0.00 0.00 57.70 54.73 2j2i n MET 290 Cb 0.14 -1.42 -0.03 0.00 -0.71 0.00 0.00 33.22 31.19 2j2i n MET 290 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 2j2i s GLN 291 N -1.91 3.85 -1.29 0.03 -1.52 -1.03 -4.17 119.66 113.63 2j2i s GLN 291 Ca 0.35 1.05 -0.02 0.00 -1.95 0.00 0.00 55.36 54.79 2j2i s GLN 291 Cb 0.19 -2.12 0.01 0.00 -0.22 0.00 0.00 33.01 30.87 2j2i s GLN 291 CO 0.29 -0.35 0.91 -0.25 -0.25 0.00 0.00 175.29 175.64 2j2i n ASP 292 N -1.51 -2.55 -4.77 5.90 8.00 -1.26 -4.96 116.55 115.40 2j2i n ASP 292 Ca 0.07 -0.70 -0.39 0.00 0.71 0.00 0.00 54.79 54.48 2j2i n ASP 292 Cb 0.54 -4.61 -0.00 0.00 -0.02 0.00 0.00 41.12 37.02 2j2i n ASP 292 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2j2i s VAL 293 N -3.46 2.63 0.48 2.53 0.11 -1.26 -5.01 120.40 116.41 2j2i s VAL 293 Ca 0.14 0.56 -0.21 0.00 -2.93 0.00 0.00 61.98 59.54 2j2i s VAL 293 Cb -0.07 -3.33 -0.08 0.00 -1.53 0.00 0.00 36.38 31.38 2j2i s VAL 293 CO 0.77 0.08 1.08 -0.76 -3.33 0.00 0.00 175.10 172.94 2j2i s LEU 294 N -2.46 3.89 0.65 2.54 1.43 -1.26 -5.05 118.68 118.42 2j2i s LEU 294 Ca 0.57 2.07 -0.16 0.00 -1.03 0.00 0.00 54.13 55.58 2j2i s LEU 294 Cb -0.38 -4.46 -0.00 0.00 0.03 0.00 0.00 46.19 41.38 2j2i s LEU 294 CO 0.48 -0.88 1.15 -0.76 0.23 0.00 0.00 176.35 176.58 2j2i s LEU 295 N -3.37 3.46 0.19 1.79 1.43 -1.26 -4.83 118.68 116.08 2j2i s LEU 295 Ca 0.67 2.17 -0.16 0.00 -1.03 0.00 0.00 54.13 55.78 2j2i s LEU 295 Cb -0.21 -4.57 0.16 0.00 0.03 0.00 0.00 46.19 41.60 2j2i s LEU 295 CO 0.25 -1.72 1.64 -0.65 0.23 0.00 0.00 176.35 176.10 2j2i h PRO 296 N 0.24 -0.03 -0.36 1.29 0.11 -1.85 -0.59 132.00 130.81 2j2i h PRO 296 Ca -0.48 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.70 2j2i h PRO 296 Cb 1.27 0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.32 2j2i h PRO 296 CO 0.53 -0.02 -0.02 1.96 -0.21 0.00 0.00 178.00 180.24 2j2i h GLN 297 N -0.03 0.07 -0.59 1.05 7.50 -1.85 -0.79 115.11 120.46 2j2i h GLN 297 Ca 0.25 -0.00 0.02 0.00 0.50 0.00 0.00 58.65 59.41 2j2i h GLN 297 Cb 0.41 -0.02 -0.04 0.00 0.05 0.00 0.00 27.48 27.88 2j2i h GLN 297 CO -0.54 0.05 0.37 0.93 -1.50 0.00 0.00 178.83 178.13 2j2i h GLU 298 N 0.07 0.72 -0.41 1.46 5.08 -1.84 -1.57 114.58 118.08 2j2i h GLU 298 Ca 0.18 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.55 2j2i h GLU 298 Cb 0.25 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.30 2j2i h GLU 298 CO -0.32 0.48 0.14 1.15 -1.00 0.00 0.00 179.01 179.45 2j2i h THR 299 N 0.74 0.86 -0.13 1.13 2.02 -0.34 0.07 112.91 117.26 2j2i h THR 299 Ca 0.23 -0.10 -0.00 0.00 0.77 0.00 0.00 66.41 67.31 2j2i h THR 299 Cb -0.01 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 2j2i h THR 299 CO -0.09 0.05 0.08 0.00 0.37 0.00 0.00 175.52 175.93 2j2i h ALA 300 N 1.28 0.16 -0.79 6.16 0.00 -0.83 0.38 119.26 125.62 2j2i h ALA 300 Ca 0.19 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.08 2j2i h ALA 300 Cb 0.19 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 2j2i h ALA 300 CO -0.21 -0.33 0.52 0.93 0.00 0.00 0.00 179.25 180.16 2j2i h GLU 301 N 0.14 1.05 0.13 0.00 5.08 -0.92 0.82 114.58 120.87 2j2i h GLU 301 Ca 0.05 -0.07 -0.19 0.00 -1.00 0.00 0.00 59.36 58.15 2j2i h GLU 301 Cb 0.02 -0.23 0.02 0.00 0.50 0.00 0.00 28.75 29.06 2j2i h GLU 301 CO -0.01 0.70 -0.84 0.82 -1.00 0.00 0.00 179.01 178.68 2j2i h ILE 302 N 1.08 1.47 0.00 3.13 2.04 -0.92 -3.39 117.51 120.91 2j2i h ILE 302 Ca 0.29 -2.51 -0.05 0.00 1.00 0.00 0.00 64.86 63.59 2j2i h ILE 302 Cb -0.12 3.15 -0.01 0.00 -0.74 0.00 0.00 36.82 39.10 2j2i h ILE 302 CO -0.06 0.70 -1.52 1.41 0.00 0.00 0.00 178.15 178.68 2j2i n HIS 303 N -4.13 0.00 -0.02 1.37 8.25 0.12 -4.80 115.22 116.00 2j2i n HIS 303 Ca -0.15 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.29 2j2i n HIS 303 Cb 0.81 -0.30 -0.04 0.00 1.12 0.00 0.00 29.99 31.58 2j2i n HIS 303 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2j2i n LEU 304 N -2.00 0.00 -0.05 2.41 4.77 0.09 -5.02 117.00 117.21 2j2i n LEU 304 Ca -0.06 0.00 0.16 0.00 -0.03 0.00 0.00 56.01 56.08 2j2i n LEU 304 Cb 0.42 0.12 0.91 0.00 -2.33 0.00 0.00 43.42 42.54 2j2i n LEU 304 CO 0.21 0.12 1.09 1.41 -1.33 0.00 0.00 177.39 178.88