#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q4r n GLY 5 N 0.00 -2.50 3.08 0.55 0.00 -1.26 -4.13 105.19 100.92 2q4r n GLY 5 Ca 0.00 -1.19 -0.26 0.00 0.00 0.00 0.00 46.02 44.57 2q4r n GLY 5 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2q4r n PRO 6 N -3.88 0.00 0.00 1.61 -0.02 -1.26 -4.57 135.00 126.88 2q4r n PRO 6 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 2q4r n PRO 6 Cb 0.51 -1.04 0.00 0.00 -0.02 0.00 0.00 33.50 32.95 2q4r n PRO 6 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2q4r n ALA 7 N 6.46 0.00 -3.64 3.55 0.00 -1.26 0.20 120.51 125.83 2q4r n ALA 7 Ca 0.59 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.98 2q4r n ALA 7 Cb 0.09 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.47 2q4r n ALA 7 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2q4r s LEU 8 N 0.00 -0.81 -0.23 0.00 2.96 -0.90 -4.14 118.68 115.57 2q4r s LEU 8 Ca 0.00 1.27 -0.09 0.00 -0.22 0.00 0.00 54.13 55.09 2q4r s LEU 8 Cb 0.00 2.15 -0.04 0.00 0.50 0.00 0.00 46.19 48.80 2q4r s LEU 8 CO 0.00 -0.20 0.11 0.00 -1.32 0.00 0.00 176.35 174.94 2q4r s LEU 10 N 1.03 3.67 -0.09 0.00 2.96 0.06 0.19 118.68 126.51 2q4r s LEU 10 Ca 0.06 -0.93 -0.03 0.00 -0.22 0.00 0.00 54.13 53.00 2q4r s LEU 10 Cb -0.14 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.75 2q4r s LEU 10 CO 0.04 -0.20 0.04 -0.36 -1.32 0.00 0.00 176.35 174.55 2q4r s PHE 11 N 1.37 3.27 0.29 5.38 0.08 -0.40 -0.92 117.98 127.06 2q4r s PHE 11 Ca -0.00 0.27 -0.28 0.00 0.12 0.00 0.00 56.93 57.03 2q4r s PHE 11 Cb -0.18 -1.82 -0.09 0.00 -0.57 0.00 0.00 43.02 40.36 2q4r s PHE 11 CO -0.01 0.54 1.01 0.34 -0.10 0.00 0.00 175.22 177.00 2q4r s ASP 12 N -0.99 7.33 0.00 1.36 3.68 -0.63 -2.12 116.67 125.30 2q4r s ASP 12 Ca 0.14 2.04 0.00 0.00 2.13 0.00 0.00 52.55 56.86 2q4r s ASP 12 Cb -0.12 -2.61 0.00 0.00 -1.45 0.00 0.00 42.92 38.75 2q4r s ASP 12 CO 0.04 -0.08 0.03 0.52 0.13 0.00 0.00 175.17 175.80 2q4r n VAL 13 N 0.96 0.00 -2.03 1.11 0.31 -1.02 -3.55 118.33 114.10 2q4r n VAL 13 Ca 0.00 0.42 -0.42 0.00 -0.01 0.00 0.00 64.34 64.33 2q4r n VAL 13 Cb 0.47 -1.20 -0.03 0.00 -0.91 0.00 0.00 33.84 32.17 2q4r n VAL 13 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2q4r s ASP 14 N -1.78 6.69 0.00 4.52 2.15 -1.26 -1.80 116.67 125.19 2q4r s ASP 14 Ca 0.00 2.52 0.00 0.00 0.43 0.00 0.00 52.55 55.50 2q4r s ASP 14 Cb 0.00 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 40.02 2q4r s ASP 14 CO 0.00 -0.74 0.00 0.61 -0.17 0.00 0.00 175.17 174.87 2q4r n GLY 15 N 3.40 2.61 0.08 2.66 0.00 -1.26 -4.77 105.19 107.91 2q4r n GLY 15 Ca 0.12 -0.69 -0.13 0.00 0.00 0.00 0.00 46.02 45.32 2q4r n GLY 15 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2q4r h THR 16 N 0.00 1.25 0.00 2.61 2.02 -1.66 -3.42 112.91 113.72 2q4r h THR 16 Ca 0.00 -1.06 0.00 0.00 0.77 0.00 0.00 66.41 66.12 2q4r h THR 16 Cb 0.00 1.94 0.00 0.00 -1.74 0.00 0.00 68.15 68.35 2q4r h THR 16 CO 0.00 0.26 -0.72 0.18 0.37 0.00 0.00 175.52 175.61 2q4r n LEU 17 N -4.90 1.67 0.00 2.58 4.77 -0.74 -4.40 117.00 115.98 2q4r n LEU 17 Ca -0.08 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 2q4r n LEU 17 Cb 0.25 -0.75 0.00 0.00 -2.33 0.00 0.00 43.42 40.58 2q4r n LEU 17 CO 0.32 -0.36 0.00 0.35 -1.33 0.00 0.00 177.39 176.37 2q4r n THR 18 N -4.27 0.00 -4.07 -5.08 -2.24 -1.18 -4.71 114.28 92.73 2q4r n THR 18 Ca -0.10 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.55 2q4r n THR 18 Cb 0.38 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.49 2q4r n THR 18 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2q4r s ALA 19 N -3.93 0.50 -0.19 6.98 0.00 -1.24 -4.02 121.76 119.86 2q4r s ALA 19 Ca 0.00 -0.65 -0.17 0.00 0.00 0.00 0.00 51.96 51.14 2q4r s ALA 19 Cb 0.00 0.03 -0.07 0.00 0.00 0.00 0.00 23.12 23.07 2q4r s ALA 19 CO 0.00 -0.01 0.70 -2.30 0.00 0.00 0.00 175.76 174.15 2q4r n PRO 20 N 1.75 0.00 -1.18 0.00 -0.02 -1.26 0.15 135.00 134.44 2q4r n PRO 20 Ca -0.21 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.27 2q4r n PRO 20 Cb 0.55 -0.56 0.00 0.00 -0.02 0.00 0.00 33.50 33.47 2q4r n PRO 20 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2q4r n ARG 21 N 2.13 -1.29 -3.28 -0.52 1.74 -1.26 -4.85 116.66 109.33 2q4r n ARG 21 Ca 0.16 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.84 2q4r n ARG 21 Cb -0.02 -3.65 -0.08 0.00 -1.02 0.00 0.00 32.46 27.69 2q4r n ARG 21 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2q4r s GLN 22 N -2.34 3.91 0.26 5.56 2.00 0.40 -4.99 119.66 124.46 2q4r s GLN 22 Ca 0.00 0.09 -0.28 0.00 -2.00 0.00 0.00 55.36 53.18 2q4r s GLN 22 Cb 0.00 -3.70 -0.15 0.00 0.80 0.00 0.00 33.01 29.95 2q4r s GLN 22 CO 0.00 -0.43 0.75 1.17 -0.50 0.00 0.00 175.29 176.29 2q4r n LYS 23 N 5.55 0.69 -1.60 1.67 0.00 -1.26 -3.72 118.16 119.49 2q4r n LYS 23 Ca -0.05 0.24 -0.37 0.00 0.00 0.00 0.00 58.31 58.13 2q4r n LYS 23 Cb 0.50 -1.44 0.06 0.00 0.00 0.00 0.00 35.03 34.15 2q4r n LYS 23 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.40 178.91 2q4r n ILE 24 N 0.04 3.87 -3.53 3.15 3.06 0.42 -4.83 119.36 121.54 2q4r n ILE 24 Ca 0.13 -0.48 -0.37 0.00 -2.50 0.00 0.00 62.75 59.53 2q4r n ILE 24 Cb 0.30 -1.19 -0.07 0.00 0.54 0.00 0.00 39.64 39.22 2q4r n ILE 24 CO 0.00 0.00 0.00 -0.89 -2.50 0.00 0.00 176.55 173.16 2q4r s THR 25 N -1.54 5.26 0.08 9.51 2.01 -1.26 -4.93 115.64 124.76 2q4r s THR 25 Ca 0.77 0.62 0.11 0.00 0.31 0.00 0.00 61.69 63.51 2q4r s THR 25 Cb -0.40 -3.65 0.11 0.00 0.01 0.00 0.00 72.50 68.57 2q4r s THR 25 CO 0.46 0.44 1.20 0.29 -0.69 0.00 0.00 174.62 176.32 2q4r n LYS 26 N 3.11 0.08 0.00 4.92 4.01 -1.26 -2.47 118.16 126.55 2q4r n LYS 26 Ca -0.12 0.55 0.00 0.00 -0.51 0.00 0.00 58.31 58.23 2q4r n LYS 26 Cb 0.52 -2.13 0.00 0.00 -0.51 0.00 0.00 35.03 32.91 2q4r n LYS 26 CO 0.00 0.00 0.00 -1.91 -1.11 0.00 0.00 177.40 174.38 2q4r n GLU 27 N -2.00 0.38 0.00 1.97 2.13 -1.26 -2.38 120.64 119.48 2q4r n GLU 27 Ca -0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.81 2q4r n GLU 27 Cb 0.40 -1.07 0.00 0.00 0.27 0.00 0.00 31.44 31.04 2q4r n GLU 27 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2q4r n ASP 29 N -0.20 0.00 -0.32 4.31 2.03 -1.03 -2.77 116.55 118.57 2q4r n ASP 29 Ca 0.00 0.00 0.23 0.00 0.52 0.00 0.00 54.79 55.54 2q4r n ASP 29 Cb 0.04 0.00 0.52 0.00 -0.72 0.00 0.00 41.12 40.95 2q4r n ASP 29 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2q4r h ASP 30 N 0.00 0.43 0.05 1.67 5.19 -1.76 -1.21 116.42 120.77 2q4r h ASP 30 Ca 0.00 0.08 -0.00 0.00 -0.62 0.00 0.00 57.03 56.48 2q4r h ASP 30 Cb 0.00 0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.52 2q4r h ASP 30 CO 0.00 0.09 -0.02 0.15 -3.12 0.00 0.00 179.24 176.34 2q4r h PHE 31 N 0.38 -0.06 -0.68 4.55 3.57 -1.82 -3.14 116.94 119.75 2q4r h PHE 31 Ca 0.58 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 62.18 2q4r h PHE 31 Cb 1.51 0.02 -0.12 0.00 2.79 0.00 0.00 35.95 40.15 2q4r h PHE 31 CO -0.00 -0.04 -0.42 -0.07 -2.23 0.00 0.00 178.31 175.55 2q4r h LEU 32 N -0.09 -1.49 -0.49 0.59 3.38 -1.72 -1.28 115.31 114.21 2q4r h LEU 32 Ca -0.01 0.26 0.09 0.00 0.09 0.00 0.00 57.88 58.31 2q4r h LEU 32 Cb 0.05 0.70 -0.07 0.00 0.09 0.00 0.00 40.66 41.42 2q4r h LEU 32 CO 0.01 -0.32 0.06 1.56 0.09 0.00 0.00 178.44 179.85 2q4r h GLN 33 N -0.16 0.18 -0.99 1.13 1.08 -1.40 0.87 115.11 115.81 2q4r h GLN 33 Ca 0.21 -0.01 0.12 0.00 -1.45 0.00 0.00 58.65 57.52 2q4r h GLN 33 Cb 0.56 -0.04 -0.09 0.00 -0.05 0.00 0.00 27.48 27.86 2q4r h GLN 33 CO -0.75 0.12 0.62 -0.22 -0.95 0.00 0.00 178.83 177.64 2q4r h LYS 34 N 0.18 0.94 -0.13 1.46 3.64 -1.23 0.25 116.57 121.68 2q4r h LYS 34 Ca 0.25 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.46 2q4r h LYS 34 Cb 0.35 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 2q4r h LYS 34 CO -0.36 0.62 -0.42 1.25 -2.27 0.00 0.00 179.45 178.27 2q4r h LEU 35 N 0.97 0.32 -0.09 5.20 5.85 0.60 -2.91 115.31 125.24 2q4r h LEU 35 Ca 0.50 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 59.08 2q4r h LEU 35 Cb 0.50 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.44 2q4r h LEU 35 CO -0.27 0.71 0.00 -1.14 -0.34 0.00 0.00 178.44 177.39 2q4r n ARG 36 N -4.02 0.14 -0.04 1.25 0.00 0.27 -3.02 116.66 111.24 2q4r n ARG 36 Ca -0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 57.85 57.81 2q4r n ARG 36 Cb 0.49 -1.01 -0.01 0.00 0.00 0.00 0.00 32.46 31.94 2q4r n ARG 36 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 2q4r h GLN 37 N 0.08 0.00 0.03 -0.14 1.08 -1.53 -3.43 115.11 111.20 2q4r h GLN 37 Ca 0.00 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 56.96 2q4r h GLN 37 Cb 0.01 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.46 2q4r h GLN 37 CO 0.00 0.00 -0.96 1.57 -0.95 0.00 0.00 178.83 178.49 2q4r h LYS 38 N -0.60 0.59 -6.36 1.46 2.10 -1.77 -3.46 116.57 108.53 2q4r h LYS 38 Ca 0.00 -0.68 -0.61 0.00 -2.00 0.00 0.00 60.65 57.36 2q4r h LYS 38 Cb 0.30 0.20 -0.24 0.00 -0.90 0.00 0.00 32.23 31.60 2q4r h LYS 38 CO 0.00 1.28 -0.85 -1.50 -2.00 0.00 0.00 179.45 176.38 2q4r s ILE 39 N -3.18 1.86 0.27 0.07 2.07 -1.17 -4.93 121.20 116.20 2q4r s ILE 39 Ca -0.11 -1.47 -0.29 0.00 -1.41 0.00 0.00 60.65 57.37 2q4r s ILE 39 Cb 0.05 -1.65 -0.09 0.00 0.13 0.00 0.00 42.46 40.90 2q4r s ILE 39 CO 0.89 0.10 1.03 -0.54 -1.91 0.00 0.00 174.94 174.51 2q4r s LYS 40 N -1.65 4.71 0.13 3.50 3.01 -1.26 -4.03 119.74 124.15 2q4r s LYS 40 Ca 0.09 1.67 0.10 0.00 -1.01 0.00 0.00 55.97 56.82 2q4r s LYS 40 Cb -0.10 -3.20 -0.04 0.00 -1.01 0.00 0.00 37.83 33.48 2q4r s LYS 40 CO 0.04 0.32 -0.23 0.96 0.51 0.00 0.00 175.35 176.95 2q4r s ILE 41 N -1.19 2.52 0.14 2.17 -4.36 -1.26 -0.04 121.20 119.18 2q4r s ILE 41 Ca 0.44 -1.65 -0.07 0.00 -0.26 0.00 0.00 60.65 59.10 2q4r s ILE 41 Cb -0.29 -2.14 -0.01 0.00 1.25 0.00 0.00 42.46 41.27 2q4r s ILE 41 CO 0.37 0.09 0.21 -0.83 0.24 0.00 0.00 174.94 175.02 2q4r s GLY 42 N -2.11 0.52 0.02 6.27 0.00 0.51 -1.66 107.32 110.87 2q4r s GLY 42 Ca 0.16 -0.98 0.04 0.00 0.00 0.00 0.00 44.72 43.94 2q4r s GLY 42 CO 0.08 -0.96 -0.11 -1.34 0.00 0.00 0.00 173.10 170.77 2q4r s VAL 43 N -3.97 0.88 0.02 1.40 -7.23 -1.07 -1.27 120.40 109.16 2q4r s VAL 43 Ca 0.16 -0.77 0.02 0.00 -1.81 0.00 0.00 61.98 59.58 2q4r s VAL 43 Cb 0.05 -0.79 -0.01 0.00 0.56 0.00 0.00 36.38 36.18 2q4r s VAL 43 CO -0.02 0.03 -0.07 0.54 -0.31 0.00 0.00 175.10 175.28 2q4r s VAL 44 N -0.67 0.50 0.07 1.32 0.11 -0.90 -1.95 120.40 118.89 2q4r s VAL 44 Ca 0.01 -0.59 -0.26 0.00 -2.93 0.00 0.00 61.98 58.20 2q4r s VAL 44 Cb -0.06 -0.48 0.08 0.00 -1.53 0.00 0.00 36.38 34.39 2q4r s VAL 44 CO 0.00 -0.08 0.83 -0.83 -3.33 0.00 0.00 175.10 171.70 2q4r s GLY 45 N -0.74 -0.44 0.16 6.54 0.00 -1.24 -2.44 107.32 109.17 2q4r s GLY 45 Ca -0.03 0.67 0.09 0.00 0.00 0.00 0.00 44.72 45.46 2q4r s GLY 45 CO 0.00 0.22 1.33 -1.33 0.00 0.00 0.00 173.10 173.32 2q4r h GLY 46 N 2.00 0.00 -3.45 0.20 0.00 -1.94 -1.19 103.07 98.69 2q4r h GLY 46 Ca -0.25 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.56 2q4r h GLY 46 CO 0.31 0.00 0.61 -1.35 0.00 0.00 0.00 176.54 176.11 2q4r s SER 47 N -6.65 6.38 1.10 0.19 1.04 -1.26 -3.83 113.70 110.67 2q4r s SER 47 Ca 0.02 2.63 -0.15 0.00 0.48 0.00 0.00 55.95 58.93 2q4r s SER 47 Cb 0.09 -2.64 0.24 0.00 0.10 0.00 0.00 66.02 63.81 2q4r s SER 47 CO 0.80 -0.80 1.08 1.51 0.98 0.00 0.00 173.24 176.82 2q4r s ASP 48 N -0.74 1.77 0.28 7.02 1.47 -1.26 -3.31 116.67 121.89 2q4r s ASP 48 Ca 0.56 1.04 0.02 0.00 1.18 0.00 0.00 52.55 55.34 2q4r s ASP 48 Cb -0.38 -1.59 0.65 0.00 -0.34 0.00 0.00 42.92 41.26 2q4r s ASP 48 CO 0.49 -3.65 1.72 0.15 0.68 0.00 0.00 175.17 174.56 2q4r h PHE 49 N -2.25 0.69 -0.48 2.11 3.57 -1.94 -0.88 116.94 117.76 2q4r h PHE 49 Ca -0.53 0.04 0.09 0.00 3.53 0.00 0.00 57.97 61.10 2q4r h PHE 49 Cb 1.32 -0.17 -0.08 0.00 2.79 0.00 0.00 35.95 39.81 2q4r h PHE 49 CO -0.50 0.04 -0.02 0.93 -2.23 0.00 0.00 178.31 176.54 2q4r h GLU 50 N 0.49 0.10 0.20 1.11 5.08 -1.99 0.24 114.58 119.80 2q4r h GLU 50 Ca 0.52 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.86 2q4r h GLU 50 Cb 0.89 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.12 2q4r h GLU 50 CO -0.46 0.06 -0.10 -0.22 -1.00 0.00 0.00 179.01 177.30 2q4r h LYS 51 N 0.10 -0.26 -1.05 2.33 1.63 -1.53 0.45 116.57 118.25 2q4r h LYS 51 Ca 0.24 0.02 0.28 0.00 -0.85 0.00 0.00 60.65 60.33 2q4r h LYS 51 Cb 0.36 0.06 -0.11 0.00 -0.60 0.00 0.00 32.23 31.94 2q4r h LYS 51 CO -0.41 0.08 0.65 0.28 -3.45 0.00 0.00 179.45 176.59 2q4r h VAL 52 N -0.63 0.48 0.43 2.00 2.07 -0.90 0.96 116.25 120.67 2q4r h VAL 52 Ca -0.03 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 2q4r h VAL 52 Cb 0.45 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 2q4r h VAL 52 CO 0.05 0.08 -0.21 1.56 0.02 0.00 0.00 177.57 179.07 2q4r h GLN 53 N 0.43 -0.56 -0.57 1.57 4.20 -0.23 1.57 115.11 121.53 2q4r h GLN 53 Ca 0.64 0.04 0.11 0.00 0.06 0.00 0.00 58.65 59.50 2q4r h GLN 53 Cb 1.50 0.13 -0.11 0.00 0.30 0.00 0.00 27.48 29.30 2q4r h GLN 53 CO -0.39 -0.25 -0.20 0.93 -0.67 0.00 0.00 178.83 178.25 2q4r h GLU 54 N -0.88 -0.06 -0.10 1.46 5.08 0.21 1.74 114.58 122.04 2q4r h GLU 54 Ca -0.06 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.14 2q4r h GLU 54 Cb 0.56 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.83 2q4r h GLU 54 CO 0.10 -0.04 -0.59 1.96 -1.00 0.00 0.00 179.01 179.44 2q4r h GLN 55 N -0.06 0.58 -0.16 2.33 4.20 0.79 -3.35 115.11 119.43 2q4r h GLN 55 Ca 0.27 -0.49 0.00 0.00 0.06 0.00 0.00 58.65 58.49 2q4r h GLN 55 Cb 0.47 0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.36 2q4r h GLN 55 CO -0.62 1.11 0.00 1.28 -0.67 0.00 0.00 178.83 179.93 2q4r n LEU 56 N -4.16 2.99 0.00 1.46 4.77 0.54 0.16 117.00 122.76 2q4r n LEU 56 Ca -0.08 -1.21 0.00 0.00 -0.03 0.00 0.00 56.01 54.69 2q4r n LEU 56 Cb 0.65 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 2q4r n LEU 56 CO 0.48 0.57 0.00 0.61 -1.33 0.00 0.00 177.39 177.72 2q4r n GLY 57 N 1.25 -0.94 0.39 -0.72 0.00 0.59 -4.31 105.19 101.45 2q4r n GLY 57 Ca 0.15 -1.21 0.14 0.00 0.00 0.00 0.00 46.02 45.10 2q4r n GLY 57 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2q4r h ASN 58 N 0.00 0.00 -0.33 1.61 2.35 -1.90 0.59 115.58 117.90 2q4r h ASN 58 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2q4r h ASN 58 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2q4r h ASN 58 CO 0.00 0.00 0.00 -0.90 -1.65 0.00 0.00 177.43 174.88 2q4r n ASP 59 N -2.98 2.89 -0.03 5.81 5.75 -1.26 -4.55 116.55 122.19 2q4r n ASP 59 Ca 0.06 -2.29 -0.09 0.00 -0.01 0.00 0.00 54.79 52.46 2q4r n ASP 59 Cb 0.91 -0.46 -0.03 0.00 -1.03 0.00 0.00 41.12 40.51 2q4r n ASP 59 CO 0.00 0.00 0.00 1.62 -0.11 0.00 0.00 177.20 178.71 2q4r h VAL 60 N 2.11 0.80 -0.03 2.12 3.04 0.00 -2.52 116.25 121.77 2q4r h VAL 60 Ca 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 66.70 65.70 2q4r h VAL 60 Cb 0.97 0.80 -0.00 0.00 -2.01 0.00 0.00 31.29 31.05 2q4r h VAL 60 CO 0.16 0.00 0.25 -0.37 -1.01 0.00 0.00 177.57 176.59 2q4r h VAL 61 N -0.02 0.05 -0.14 1.51 -1.51 -1.84 0.28 116.25 114.57 2q4r h VAL 61 Ca 0.09 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.56 2q4r h VAL 61 Cb 0.15 0.76 0.00 0.00 -2.13 0.00 0.00 31.29 30.07 2q4r h VAL 61 CO -0.19 0.00 0.00 -0.62 -1.23 0.00 0.00 177.57 175.53 2q4r n GLU 62 N -3.03 1.60 -0.01 5.19 1.02 -0.98 -3.71 120.64 120.73 2q4r n GLU 62 Ca -0.02 -1.65 0.10 0.00 -0.02 0.00 0.00 57.16 55.57 2q4r n GLU 62 Cb 0.31 -1.32 -0.14 0.00 -0.02 0.00 0.00 31.44 30.27 2q4r n GLU 62 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2q4r n LYS 63 N 0.88 0.63 -4.32 3.49 4.76 0.92 -4.99 118.16 119.54 2q4r n LYS 63 Ca 0.11 -0.13 -0.17 0.00 -2.87 0.00 0.00 58.31 55.24 2q4r n LYS 63 Cb 0.42 -1.44 -0.10 0.00 -1.84 0.00 0.00 35.03 32.06 2q4r n LYS 63 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 2q4r s TYR 64 N -3.20 1.59 -0.76 2.13 2.02 -0.70 -4.88 117.35 113.54 2q4r s TYR 64 Ca -0.03 -0.61 0.25 0.00 -0.37 0.00 0.00 57.07 56.30 2q4r s TYR 64 Cb 0.13 -0.76 0.41 0.00 -0.40 0.00 0.00 41.96 41.34 2q4r s TYR 64 CO 0.80 0.28 1.35 -0.25 -1.57 0.00 0.00 175.55 176.17 2q4r n ASP 65 N -0.27 0.61 -3.75 2.29 8.00 -0.67 -4.29 116.55 118.47 2q4r n ASP 65 Ca -0.09 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.28 2q4r n ASP 65 Cb 0.60 0.20 -0.10 0.00 -0.02 0.00 0.00 41.12 41.81 2q4r n ASP 65 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2q4r s TYR 66 N -3.11 -0.33 -0.11 1.24 2.02 -1.23 -1.96 117.35 113.87 2q4r s TYR 66 Ca 0.08 0.74 -0.03 0.00 -0.37 0.00 0.00 57.07 57.49 2q4r s TYR 66 Cb 0.15 0.13 0.05 0.00 -0.40 0.00 0.00 41.96 41.89 2q4r s TYR 66 CO 0.71 -0.27 0.14 0.08 -1.57 0.00 0.00 175.55 174.64 2q4r s VAL 67 N -0.37 -0.22 -0.68 0.71 1.01 0.96 -2.59 120.40 119.22 2q4r s VAL 67 Ca -0.05 0.22 0.05 0.00 0.00 0.00 0.00 61.98 62.20 2q4r s VAL 67 Cb -0.03 -0.36 0.23 0.00 0.00 0.00 0.00 36.38 36.21 2q4r s VAL 67 CO 0.02 0.04 0.73 0.49 0.00 0.00 0.00 175.10 176.37 2q4r n PHE 68 N 5.31 3.53 -0.72 5.22 3.72 -0.82 0.12 117.46 133.83 2q4r n PHE 68 Ca -0.05 -4.13 -0.31 0.00 -0.05 0.00 0.00 57.45 52.91 2q4r n PHE 68 Cb 0.50 -0.63 0.16 0.00 -0.94 0.00 0.00 39.48 38.57 2q4r n PHE 68 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 2q4r s PRO 69 N -2.23 1.05 -1.33 -1.08 0.02 -0.99 -2.11 135.00 128.33 2q4r s PRO 69 Ca 0.36 1.57 -0.11 0.00 0.02 0.00 0.00 61.00 62.83 2q4r s PRO 69 Cb 0.09 -1.73 0.01 0.00 0.02 0.00 0.00 34.50 32.89 2q4r s PRO 69 CO -0.05 -2.61 0.49 0.39 -0.33 0.00 0.00 177.00 174.89 2q4r n GLU 70 N -4.18 -1.91 -0.12 5.54 1.02 -1.10 0.15 120.64 120.04 2q4r n GLU 70 Ca 0.12 0.31 0.00 0.00 -0.02 0.00 0.00 57.16 57.57 2q4r n GLU 70 Cb 0.52 -3.95 0.00 0.00 -0.02 0.00 0.00 31.44 27.99 2q4r n GLU 70 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2q4r n ASN 71 N -2.76 0.00 0.00 1.62 3.02 -0.47 -2.62 115.26 114.05 2q4r n ASN 71 Ca -0.23 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.32 2q4r n ASN 71 Cb 0.64 -1.06 0.00 0.00 -0.61 0.00 0.00 39.78 38.76 2q4r n ASN 71 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2q4r n GLY 72 N -2.00 0.69 0.19 7.41 0.00 0.12 -2.85 105.19 108.75 2q4r n GLY 72 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 2q4r n GLY 72 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2q4r h LEU 73 N 0.00 0.00 -8.56 0.99 3.38 -1.38 -3.37 115.31 106.37 2q4r h LEU 73 Ca 0.00 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.29 2q4r h LEU 73 Cb 0.00 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 40.45 2q4r h LEU 73 CO 0.00 0.00 -0.88 -0.69 0.09 0.00 0.00 178.44 176.96 2q4r s VAL 74 N -3.54 1.97 -0.09 1.22 1.01 -1.17 0.29 120.40 120.09 2q4r s VAL 74 Ca 0.00 -1.06 -0.12 0.00 0.00 0.00 0.00 61.98 60.80 2q4r s VAL 74 Cb 0.09 -1.64 0.03 0.00 0.00 0.00 0.00 36.38 34.85 2q4r s VAL 74 CO 0.34 0.56 0.32 0.00 0.00 0.00 0.00 175.10 176.32 2q4r s ALA 75 N -0.52 -0.79 -0.03 5.51 0.00 -1.24 -2.35 121.76 122.35 2q4r s ALA 75 Ca 0.08 0.71 0.07 0.00 0.00 0.00 0.00 51.96 52.81 2q4r s ALA 75 Cb -0.10 -0.33 -0.01 0.00 0.00 0.00 0.00 23.12 22.67 2q4r s ALA 75 CO -0.00 -0.19 -0.24 0.71 0.00 0.00 0.00 175.76 176.04 2q4r s TYR 76 N -0.32 2.23 -0.04 0.00 2.02 0.32 0.16 117.35 121.72 2q4r s TYR 76 Ca -0.05 -0.52 -0.07 0.00 -0.37 0.00 0.00 57.07 56.06 2q4r s TYR 76 Cb -0.03 -1.45 0.01 0.00 -0.40 0.00 0.00 41.96 40.09 2q4r s TYR 76 CO 0.02 -0.11 0.17 0.21 -1.57 0.00 0.00 175.55 174.26 2q4r s LYS 77 N -0.38 0.30 -0.98 -0.62 2.20 0.11 -0.03 119.74 120.34 2q4r s LYS 77 Ca 0.04 0.04 -0.01 0.00 -0.36 0.00 0.00 55.97 55.68 2q4r s LYS 77 Cb -0.11 0.13 0.01 0.00 -1.51 0.00 0.00 37.83 36.35 2q4r s LYS 77 CO 0.01 -0.05 0.06 -0.25 -0.36 0.00 0.00 175.35 174.75 2q4r n ASP 78 N 2.49 -3.61 0.00 1.43 10.43 -0.83 0.12 116.55 126.58 2q4r n ASP 78 Ca -0.16 0.16 0.00 0.00 2.57 0.00 0.00 54.79 57.36 2q4r n ASP 78 Cb 0.58 -3.07 0.00 0.00 1.84 0.00 0.00 41.12 40.46 2q4r n ASP 78 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2q4r n GLY 79 N -0.82 2.77 3.78 0.44 0.00 -1.24 -4.98 105.19 105.13 2q4r n GLY 79 Ca -0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 2q4r n GLY 79 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2q4r s LYS 80 N 0.00 3.95 0.42 1.61 2.20 0.32 -4.76 119.74 123.48 2q4r s LYS 80 Ca 0.00 -0.15 -0.25 0.00 -0.36 0.00 0.00 55.97 55.21 2q4r s LYS 80 Cb 0.00 -3.34 -0.08 0.00 -1.51 0.00 0.00 37.83 32.90 2q4r s LYS 80 CO 0.00 0.46 1.23 -1.17 -0.36 0.00 0.00 175.35 175.51 2q4r s LEU 81 N -0.11 4.15 0.00 5.43 0.20 -1.26 0.06 118.68 127.15 2q4r s LEU 81 Ca 0.11 2.49 0.00 0.00 0.69 0.00 0.00 54.13 57.42 2q4r s LEU 81 Cb -0.12 -4.02 0.00 0.00 -0.43 0.00 0.00 46.19 41.62 2q4r s LEU 81 CO 0.01 -0.84 0.00 -0.11 -0.29 0.00 0.00 176.35 175.12 2q4r n LEU 82 N -0.06 0.00 -4.56 -0.68 7.94 0.43 -4.85 117.00 115.23 2q4r n LEU 82 Ca 0.05 0.00 -0.44 0.00 -1.11 0.00 0.00 56.01 54.51 2q4r n LEU 82 Cb 0.45 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.40 2q4r n LEU 82 CO 0.52 -0.03 0.46 0.00 -1.11 0.00 0.00 177.39 177.23 2q4r s ARG 84 N -1.61 2.64 0.08 0.00 3.52 -1.26 -3.72 118.95 118.60 2q4r s ARG 84 Ca 0.60 -1.14 0.02 0.00 -0.13 0.00 0.00 55.73 55.08 2q4r s ARG 84 Cb -0.68 -3.26 -0.04 0.00 -1.56 0.00 0.00 34.95 29.42 2q4r s ARG 84 CO 0.59 -0.57 0.15 -1.14 -0.81 0.00 0.00 175.30 173.51 2q4r s GLN 85 N 1.34 3.16 0.16 5.12 2.00 0.83 -4.99 119.66 127.28 2q4r s GLN 85 Ca -0.02 -0.58 -0.17 0.00 -2.00 0.00 0.00 55.36 52.59 2q4r s GLN 85 Cb -0.19 -2.88 0.03 0.00 0.80 0.00 0.00 33.01 30.78 2q4r s GLN 85 CO 0.00 0.58 0.48 0.54 -0.50 0.00 0.00 175.29 176.39 2q4r s ASN 86 N -2.50 -0.28 0.12 6.67 2.20 -1.26 -4.54 114.94 115.34 2q4r s ASN 86 Ca 0.32 -0.37 -0.33 0.00 -0.94 0.00 0.00 52.86 51.54 2q4r s ASN 86 Cb -0.12 0.54 -0.11 0.00 -2.00 0.00 0.00 41.25 39.55 2q4r s ASN 86 CO 0.25 -0.96 1.56 -0.29 -2.94 0.00 0.00 177.10 174.72 2q4r h ILE 87 N 2.25 0.05 -0.90 0.54 2.10 -0.50 -1.81 117.51 119.23 2q4r h ILE 87 Ca -0.31 0.00 0.21 0.00 1.08 0.00 0.00 64.86 65.83 2q4r h ILE 87 Cb 1.26 0.05 -0.06 0.00 -1.09 0.00 0.00 36.82 36.98 2q4r h ILE 87 CO 0.41 0.00 0.60 0.06 -1.08 0.00 0.00 178.15 178.14 2q4r h GLN 88 N -0.61 0.37 0.00 2.19 -0.00 -1.89 -1.21 115.11 113.96 2q4r h GLN 88 Ca 0.04 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.66 2q4r h GLN 88 Cb 0.69 -0.08 0.00 0.00 -0.00 0.00 0.00 27.48 28.09 2q4r h GLN 88 CO -0.38 0.24 0.00 0.43 -0.00 0.00 0.00 178.83 179.12 2q4r n SER 89 N -4.50 0.00 -0.11 0.06 7.64 -0.69 -1.10 113.62 114.92 2q4r n SER 89 Ca 0.19 0.48 -0.05 0.00 1.01 0.00 0.00 58.87 60.49 2q4r n SER 89 Cb 0.71 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.94 2q4r n SER 89 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 2q4r h HIS 90 N 0.00 0.12 -0.48 1.43 -0.00 -1.51 -3.23 115.15 111.49 2q4r h HIS 90 Ca 0.00 0.02 -0.09 0.00 -0.00 0.00 0.00 60.37 60.30 2q4r h HIS 90 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.40 2q4r h HIS 90 CO 0.00 0.01 -0.05 -0.07 -0.00 0.00 0.00 177.93 177.82 2q4r h LEU 91 N 0.20 0.87 0.00 0.26 3.38 -1.29 -3.50 115.31 115.23 2q4r h LEU 91 Ca 0.18 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2q4r h LEU 91 Cb 0.22 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2q4r h LEU 91 CO -0.24 0.99 0.00 0.61 0.09 0.00 0.00 178.44 179.89 2q4r n GLY 92 N -0.31 1.86 0.25 0.83 0.00 -0.26 -4.66 105.19 102.90 2q4r n GLY 92 Ca 0.00 -1.73 -0.08 0.00 0.00 0.00 0.00 46.02 44.21 2q4r n GLY 92 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2q4r h GLU 93 N 0.00 0.69 -0.17 1.61 4.39 -1.92 -3.26 114.58 115.92 2q4r h GLU 93 Ca 0.00 -0.32 0.02 0.00 0.34 0.00 0.00 59.36 59.40 2q4r h GLU 93 Cb 0.00 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 2q4r h GLU 93 CO 0.00 0.92 0.05 0.00 -1.16 0.00 0.00 179.01 178.81 2q4r h ALA 94 N 1.06 0.18 -0.04 3.43 0.00 -1.98 -2.28 119.26 119.63 2q4r h ALA 94 Ca 0.06 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2q4r h ALA 94 Cb 0.84 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2q4r h ALA 94 CO 0.07 -0.39 -0.10 1.25 0.00 0.00 0.00 179.25 180.08 2q4r h LEU 95 N 0.12 0.06 0.35 0.00 5.85 -1.83 -2.84 115.31 117.02 2q4r h LEU 95 Ca 0.07 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 2q4r h LEU 95 Cb 0.05 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 2q4r h LEU 95 CO -0.09 0.17 -0.24 0.40 -0.34 0.00 0.00 178.44 178.35 2q4r h ILE 96 N 0.06 0.51 -0.51 4.05 1.08 -1.45 0.05 117.51 121.30 2q4r h ILE 96 Ca 0.01 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.46 2q4r h ILE 96 Cb 0.22 0.51 -0.02 0.00 -3.07 0.00 0.00 36.82 34.45 2q4r h ILE 96 CO 0.01 0.00 0.21 -0.61 -0.69 0.00 0.00 178.15 177.07 2q4r h GLN 97 N -0.57 0.73 -0.38 2.37 4.15 -1.40 0.36 115.11 120.38 2q4r h GLN 97 Ca -0.03 -0.10 -0.03 0.00 0.77 0.00 0.00 58.65 59.25 2q4r h GLN 97 Cb 0.48 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.02 2q4r h GLN 97 CO 0.02 0.60 0.10 -0.44 -1.93 0.00 0.00 178.83 177.18 2q4r h ASP 98 N 0.72 0.50 -0.06 -0.69 3.45 -1.25 0.33 116.42 119.42 2q4r h ASP 98 Ca 0.18 -0.06 -0.04 0.00 0.43 0.00 0.00 57.03 57.54 2q4r h ASP 98 Cb 0.14 -0.13 -0.00 0.00 -0.56 0.00 0.00 39.33 38.78 2q4r h ASP 98 CO -0.02 0.49 -0.10 0.25 -1.57 0.00 0.00 179.24 178.30 2q4r h LEU 99 N 0.54 0.20 0.64 1.55 6.46 0.12 -3.14 115.31 121.68 2q4r h LEU 99 Ca 0.13 -0.54 -0.03 0.00 -0.12 0.00 0.00 57.88 57.32 2q4r h LEU 99 Cb 0.19 -0.06 0.01 0.00 -0.73 0.00 0.00 40.66 40.07 2q4r h LEU 99 CO -0.01 0.70 -0.31 0.40 -0.62 0.00 0.00 178.44 178.60 2q4r h ILE 100 N -0.29 0.09 -0.51 4.05 2.04 -0.00 -2.94 117.51 119.95 2q4r h ILE 100 Ca 0.01 -0.35 0.06 0.00 1.00 0.00 0.00 64.86 65.58 2q4r h ILE 100 Cb 0.66 0.12 -0.09 0.00 -0.74 0.00 0.00 36.82 36.77 2q4r h ILE 100 CO 0.02 0.01 -0.53 0.78 0.00 0.00 0.00 178.15 178.44 2q4r h ASN 101 N -1.19 -1.80 -0.47 1.72 2.35 -0.51 0.18 115.58 115.87 2q4r h ASN 101 Ca -0.09 0.25 0.09 0.00 -0.55 0.00 0.00 56.30 56.01 2q4r h ASN 101 Cb 0.69 0.76 -0.10 0.00 0.05 0.00 0.00 38.32 39.72 2q4r h ASN 101 CO 0.15 -0.37 -0.24 0.22 -1.65 0.00 0.00 177.43 175.54 2q4r h TYR 102 N -0.32 -0.61 -0.41 1.19 3.20 -1.64 -0.71 116.97 117.67 2q4r h TYR 102 Ca 0.11 0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.99 2q4r h TYR 102 Cb 0.57 0.34 -0.02 0.00 1.54 0.00 0.00 36.73 39.16 2q4r h TYR 102 CO -0.75 -0.32 0.08 0.00 -1.64 0.00 0.00 178.16 175.54 2q4r h LEU 104 N 0.53 0.11 -0.59 0.00 3.38 -0.17 0.75 115.31 119.32 2q4r h LEU 104 Ca 0.13 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 2q4r h LEU 104 Cb 0.34 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2q4r h LEU 104 CO 0.00 0.10 0.16 0.28 0.09 0.00 0.00 178.44 179.07 2q4r h SER 105 N 0.26 0.87 0.94 -0.43 0.02 -0.93 -0.21 113.55 114.07 2q4r h SER 105 Ca 0.17 -0.22 -0.05 0.00 -0.84 0.00 0.00 61.79 60.85 2q4r h SER 105 Cb 0.16 -0.23 0.01 0.00 0.14 0.00 0.00 62.40 62.48 2q4r h SER 105 CO -0.19 0.86 -0.45 0.22 -1.14 0.00 0.00 176.83 176.14 2q4r h TYR 106 N 0.84 -1.17 -1.05 3.45 3.20 0.61 -1.22 116.97 121.63 2q4r h TYR 106 Ca 0.19 -0.03 0.28 0.00 3.14 0.00 0.00 58.73 62.31 2q4r h TYR 106 Cb 0.32 0.39 -0.07 0.00 1.54 0.00 0.00 36.73 38.90 2q4r h TYR 106 CO 0.02 -0.72 0.71 0.82 -1.64 0.00 0.00 178.16 177.35 2q4r h ILE 107 N -1.28 0.50 0.00 1.81 2.04 0.52 2.02 117.51 123.12 2q4r h ILE 107 Ca -0.13 -0.08 -0.04 0.00 1.00 0.00 0.00 64.86 65.61 2q4r h ILE 107 Cb 0.97 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 2q4r h ILE 107 CO 0.21 0.04 -0.20 0.00 0.00 0.00 0.00 178.15 178.20 2q4r h ALA 108 N 1.55 1.53 0.00 1.87 0.00 0.11 -2.72 119.26 121.60 2q4r h ALA 108 Ca 0.55 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 55.20 2q4r h ALA 108 Cb 1.73 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 2q4r h ALA 108 CO -0.17 0.25 -1.11 0.87 0.00 0.00 0.00 179.25 179.10 2q4r h LYS 109 N 0.00 0.00 -6.34 0.00 1.57 0.41 -3.46 116.57 108.75 2q4r h LYS 109 Ca -0.00 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.24 2q4r h LYS 109 Cb 0.39 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.70 2q4r h LYS 109 CO 0.03 0.17 1.05 0.42 -0.57 0.00 0.00 179.45 180.54 2q4r s ILE 110 N -3.13 3.35 -0.28 1.86 1.01 -0.58 -4.95 121.20 118.48 2q4r s ILE 110 Ca -0.01 0.59 -0.23 0.00 0.00 0.00 0.00 60.65 61.00 2q4r s ILE 110 Cb 0.09 -3.38 -0.01 0.00 0.01 0.00 0.00 42.46 39.17 2q4r s ILE 110 CO 0.79 -0.03 0.76 -0.54 0.00 0.00 0.00 174.94 175.92 2q4r s LYS 111 N 3.48 4.05 0.18 2.79 -0.14 -1.26 -5.00 119.74 123.84 2q4r s LYS 111 Ca 0.74 0.65 0.03 0.00 -1.36 0.00 0.00 55.97 56.03 2q4r s LYS 111 Cb -0.36 -3.69 -0.05 0.00 -1.68 0.00 0.00 37.83 32.05 2q4r s LYS 111 CO 0.31 -0.58 -0.02 -0.51 -0.76 0.00 0.00 175.35 173.80 2q4r s LEU 112 N 2.81 2.20 0.36 3.17 1.43 -1.26 -5.03 118.68 122.36 2q4r s LEU 112 Ca 0.31 -1.16 0.23 0.00 -1.03 0.00 0.00 54.13 52.48 2q4r s LEU 112 Cb -0.15 -0.16 0.24 0.00 0.03 0.00 0.00 46.19 46.16 2q4r s LEU 112 CO 0.10 -0.52 1.43 1.55 0.23 0.00 0.00 176.35 179.15 2q4r h PRO 113 N 2.65 0.00 -2.94 1.29 0.13 -2.02 -3.46 132.00 127.64 2q4r h PRO 113 Ca -0.37 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.62 2q4r h PRO 113 Cb 1.21 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.10 2q4r h PRO 113 CO 0.63 0.00 -0.31 0.15 -0.23 0.00 0.00 178.00 178.25 2q4r s LYS 114 N -3.26 0.46 -0.08 0.86 1.02 -1.26 -5.15 119.74 112.34 2q4r s LYS 114 Ca 0.05 0.31 -0.06 0.00 0.02 0.00 0.00 55.97 56.29 2q4r s LYS 114 Cb 0.07 0.22 0.03 0.00 -0.52 0.00 0.00 37.83 37.62 2q4r s LYS 114 CO 0.71 -0.08 0.20 0.15 -0.92 0.00 0.00 175.35 175.41 2q4r s LYS 115 N -0.19 0.20 0.00 1.68 1.02 -1.26 -4.72 119.74 116.47 2q4r s LYS 115 Ca -0.03 0.35 0.00 0.00 0.02 0.00 0.00 55.97 56.30 2q4r s LYS 115 Cb -0.03 0.01 0.00 0.00 -0.52 0.00 0.00 37.83 37.29 2q4r s LYS 115 CO 0.01 -0.08 0.00 0.54 -0.92 0.00 0.00 175.35 174.90 2q4r n ARG 116 N 3.45 0.00 -3.91 1.68 5.12 -0.36 -5.05 116.66 117.58 2q4r n ARG 116 Ca -0.18 0.00 -0.08 0.00 -1.93 0.00 0.00 57.85 55.66 2q4r n ARG 116 Cb 0.56 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.84 2q4r n ARG 116 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2q4r s GLY 117 N -0.36 0.23 -0.80 -0.13 0.00 -1.26 -4.97 107.32 100.02 2q4r s GLY 117 Ca 0.00 -0.60 -0.05 0.00 0.00 0.00 0.00 44.72 44.08 2q4r s GLY 117 CO 0.00 -0.33 0.71 2.41 0.00 0.00 0.00 173.10 175.89 2q4r n THR 118 N -0.45 -7.31 0.36 0.90 -1.04 -1.26 -1.91 114.28 103.57 2q4r n THR 118 Ca -0.03 -1.04 0.12 0.00 -2.04 0.00 0.00 64.05 61.06 2q4r n THR 118 Cb 0.60 -5.72 0.25 0.00 -1.82 0.00 0.00 70.33 63.64 2q4r n THR 118 CO 0.00 0.00 0.00 -0.26 -0.64 0.00 0.00 175.07 174.17 2q4r h PHE 119 N -0.83 0.00 -3.02 -1.42 0.04 -1.93 -1.78 116.94 108.01 2q4r h PHE 119 Ca -0.47 0.00 -0.34 0.00 2.80 0.00 0.00 57.97 59.96 2q4r h PHE 119 Cb 1.24 0.00 -0.37 0.00 2.20 0.00 0.00 35.95 39.01 2q4r h PHE 119 CO 0.23 0.00 -0.67 0.42 -0.60 0.00 0.00 178.31 177.69 2q4r s ILE 120 N -3.17 -0.21 -0.25 -0.55 1.01 -1.26 -1.50 121.20 115.25 2q4r s ILE 120 Ca 0.08 0.19 -0.05 0.00 0.00 0.00 0.00 60.65 60.87 2q4r s ILE 120 Cb 0.08 -0.39 -0.00 0.00 0.01 0.00 0.00 42.46 42.15 2q4r s ILE 120 CO 0.65 0.01 0.02 -0.70 0.00 0.00 0.00 174.94 174.91 2q4r s GLU 121 N 2.25 3.25 -0.10 2.79 2.12 -0.61 -4.91 118.70 123.49 2q4r s GLU 121 Ca 0.04 -0.73 -0.24 0.00 0.36 0.00 0.00 54.97 54.40 2q4r s GLU 121 Cb -0.13 -3.19 -0.03 0.00 0.26 0.00 0.00 34.13 31.04 2q4r s GLU 121 CO -0.07 -0.31 0.76 0.12 -0.54 0.00 0.00 175.26 175.22 2q4r s PHE 122 N 1.49 3.52 0.09 5.30 5.36 -1.26 0.78 117.98 133.26 2q4r s PHE 122 Ca 0.04 1.26 0.06 0.00 -0.96 0.00 0.00 56.93 57.33 2q4r s PHE 122 Cb -0.16 -2.89 -0.03 0.00 -0.34 0.00 0.00 43.02 39.60 2q4r s PHE 122 CO -0.00 -0.04 -0.16 1.03 -1.46 0.00 0.00 175.22 174.59 2q4r s ARG 123 N 1.29 0.94 0.49 10.12 0.52 -1.26 -4.98 118.95 126.08 2q4r s ARG 123 Ca 0.38 -1.06 0.23 0.00 -0.52 0.00 0.00 55.73 54.76 2q4r s ARG 123 Cb -0.18 -1.00 1.29 0.00 0.52 0.00 0.00 34.95 35.58 2q4r s ARG 123 CO 0.17 0.22 1.95 -0.91 0.02 0.00 0.00 175.30 176.75 2q4r h ASN 124 N 4.10 0.14 -0.04 0.23 2.35 -1.97 -3.42 115.58 116.96 2q4r h ASN 124 Ca -0.42 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.34 2q4r h ASN 124 Cb 1.19 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.54 2q4r h ASN 124 CO 0.42 0.07 0.00 0.61 -1.65 0.00 0.00 177.43 176.88 2q4r n GLY 125 N -1.61 0.63 3.08 2.83 0.00 -1.26 0.21 105.19 109.07 2q4r n GLY 125 Ca 0.13 -0.57 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 2q4r n GLY 125 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2q4r s LEU 127 N -1.62 1.85 0.15 0.99 1.43 -0.73 -4.68 118.68 116.07 2q4r s LEU 127 Ca 0.24 -0.50 -0.21 0.00 -1.03 0.00 0.00 54.13 52.63 2q4r s LEU 127 Cb 0.17 -1.23 -0.08 0.00 0.03 0.00 0.00 46.19 45.08 2q4r s LEU 127 CO 0.25 0.02 0.68 0.21 0.23 0.00 0.00 176.35 177.74 2q4r s ASN 128 N 1.05 7.14 -0.30 2.29 3.84 0.23 -0.99 114.94 128.21 2q4r s ASN 128 Ca -0.04 1.41 -0.03 0.00 0.21 0.00 0.00 52.86 54.41 2q4r s ASN 128 Cb -0.15 -2.42 0.11 0.00 -0.55 0.00 0.00 41.25 38.25 2q4r s ASN 128 CO -0.04 0.17 0.15 -0.69 -2.79 0.00 0.00 177.10 173.90 2q4r s VAL 129 N -1.28 -0.07 -0.20 -5.21 1.01 -0.31 -1.57 120.40 112.77 2q4r s VAL 129 Ca 0.36 -0.84 -0.02 0.00 0.00 0.00 0.00 61.98 61.48 2q4r s VAL 129 Cb -0.19 -0.99 -0.00 0.00 0.00 0.00 0.00 36.38 35.19 2q4r s VAL 129 CO 0.22 -0.74 -0.09 -0.55 0.00 0.00 0.00 175.10 173.93 2q4r s SER 130 N 2.01 3.94 0.40 3.32 0.15 -0.57 -3.21 113.70 119.74 2q4r s SER 130 Ca 0.10 -0.47 0.08 0.00 0.70 0.00 0.00 55.95 56.36 2q4r s SER 130 Cb -0.17 -1.66 0.83 0.00 -1.71 0.00 0.00 66.02 63.32 2q4r s SER 130 CO -0.33 -0.01 1.99 -0.65 1.20 0.00 0.00 173.24 175.45 2q4r h PRO 131 N 8.00 0.39 0.09 5.44 0.11 -1.84 -2.91 132.00 141.28 2q4r h PRO 131 Ca -0.42 -0.05 -0.30 0.00 0.11 0.00 0.00 66.00 65.33 2q4r h PRO 131 Cb 1.16 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 2q4r h PRO 131 CO 0.61 0.37 -1.56 0.97 -0.21 0.00 0.00 178.00 178.18 2q4r h ILE 132 N 0.39 1.10 0.00 4.15 2.10 -1.84 -3.47 117.51 119.94 2q4r h ILE 132 Ca 0.10 -2.79 0.00 0.00 1.08 0.00 0.00 64.86 63.25 2q4r h ILE 132 Cb 0.15 2.69 0.00 0.00 -1.09 0.00 0.00 36.82 38.57 2q4r h ILE 132 CO -0.00 0.79 0.00 0.61 -1.08 0.00 0.00 178.15 178.46 2q4r n GLY 133 N 1.65 2.73 0.00 8.18 0.00 -1.10 -1.23 105.19 115.42 2q4r n GLY 133 Ca -0.17 -1.30 0.04 0.00 0.00 0.00 0.00 46.02 44.59 2q4r n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2q4r n ARG 134 N 1.51 0.14 0.19 1.61 1.74 -0.67 -2.59 116.66 118.60 2q4r n ARG 134 Ca 0.00 0.16 0.12 0.00 -0.77 0.00 0.00 57.85 57.36 2q4r n ARG 134 Cb 0.00 -1.50 0.18 0.00 -1.02 0.00 0.00 32.46 30.12 2q4r n ARG 134 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2q4r h SER 135 N 0.00 0.00 -1.48 0.55 4.64 -1.63 -3.47 113.55 112.16 2q4r h SER 135 Ca 0.00 -0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.80 2q4r h SER 135 Cb 0.05 0.00 0.25 0.00 -0.31 0.00 0.00 62.40 62.40 2q4r h SER 135 CO 0.00 0.00 -2.30 0.00 -0.87 0.00 0.00 176.83 173.66 2q4r s SER 137 N -1.07 5.04 0.30 0.00 1.04 -1.26 -4.82 113.70 112.93 2q4r s SER 137 Ca 0.39 -0.36 0.05 0.00 0.48 0.00 0.00 55.95 56.51 2q4r s SER 137 Cb -0.01 -0.35 0.73 0.00 0.10 0.00 0.00 66.02 66.49 2q4r s SER 137 CO 0.72 -1.33 1.75 -0.61 0.98 0.00 0.00 173.24 174.76 2q4r h GLN 138 N 0.02 0.62 0.48 4.02 -0.00 -1.98 0.36 115.11 118.62 2q4r h GLN 138 Ca -0.37 -0.04 -0.02 0.00 -0.00 0.00 0.00 58.65 58.21 2q4r h GLN 138 Cb 1.28 -0.14 0.00 0.00 0.00 0.00 0.00 27.48 28.63 2q4r h GLN 138 CO 0.45 0.41 -0.23 1.49 0.00 0.00 0.00 178.83 180.95 2q4r h GLU 139 N 0.64 -0.62 -0.69 1.69 4.57 -1.99 -2.70 114.58 115.48 2q4r h GLU 139 Ca 0.57 0.04 0.06 0.00 -1.18 0.00 0.00 59.36 58.85 2q4r h GLU 139 Cb 0.95 0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 29.64 2q4r h GLU 139 CO -0.42 -0.41 0.45 0.93 -1.18 0.00 0.00 179.01 178.38 2q4r h GLU 140 N -0.97 0.71 0.43 1.92 5.08 -1.90 0.31 114.58 120.17 2q4r h GLU 140 Ca -0.07 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 2q4r h GLU 140 Cb 0.49 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 2q4r h GLU 140 CO 0.11 0.47 -0.43 -0.09 -1.00 0.00 0.00 179.01 178.06 2q4r h ARG 141 N 0.73 -0.83 0.00 2.33 2.43 -0.32 -0.24 114.38 118.48 2q4r h ARG 141 Ca 0.29 0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.47 2q4r h ARG 141 Cb 0.22 0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 2q4r h ARG 141 CO -0.09 -0.56 -0.24 0.82 -1.51 0.00 0.00 179.97 178.39 2q4r h ILE 142 N -0.86 1.10 0.42 1.20 1.08 -1.10 -2.38 117.51 116.96 2q4r h ILE 142 Ca -0.05 -0.85 -0.02 0.00 -0.39 0.00 0.00 64.86 63.55 2q4r h ILE 142 Cb 0.75 1.47 -0.01 0.00 -3.07 0.00 0.00 36.82 35.96 2q4r h ILE 142 CO -0.05 0.24 -0.32 -0.08 -0.69 0.00 0.00 178.15 177.25 2q4r h GLU 143 N 0.00 -0.68 -0.85 2.37 4.81 0.15 -1.59 114.58 118.78 2q4r h GLU 143 Ca -0.00 0.05 0.23 0.00 -0.13 0.00 0.00 59.36 59.50 2q4r h GLU 143 Cb 0.45 0.15 -0.05 0.00 0.63 0.00 0.00 28.75 29.94 2q4r h GLU 143 CO 0.03 -0.45 0.60 0.35 -0.73 0.00 0.00 179.01 178.80 2q4r h PHE 144 N -0.71 0.20 -0.07 0.92 3.57 -0.84 -1.76 116.94 118.26 2q4r h PHE 144 Ca -0.05 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 2q4r h PHE 144 Cb 0.58 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.26 2q4r h PHE 144 CO -0.10 0.05 0.02 -0.92 -2.23 0.00 0.00 178.31 175.14 2q4r h TYR 145 N 0.15 0.12 -0.43 0.41 3.20 -0.80 0.34 116.97 119.96 2q4r h TYR 145 Ca 0.42 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.29 2q4r h TYR 145 Cb 1.43 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.64 2q4r h TYR 145 CO -0.00 0.26 0.28 1.05 -1.64 0.00 0.00 178.16 178.11 2q4r h GLU 146 N -0.07 0.56 -0.21 1.82 4.11 -0.52 0.11 114.58 120.39 2q4r h GLU 146 Ca 0.02 -0.03 -0.06 0.00 0.07 0.00 0.00 59.36 59.36 2q4r h GLU 146 Cb 0.20 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2q4r h GLU 146 CO -0.00 0.38 -0.10 1.25 0.07 0.00 0.00 179.01 180.60 2q4r h LEU 147 N 0.58 0.45 -1.90 3.06 5.85 -1.11 -2.78 115.31 119.46 2q4r h LEU 147 Ca 0.16 -0.41 -0.02 0.00 0.84 0.00 0.00 57.88 58.44 2q4r h LEU 147 Cb -0.06 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 40.84 2q4r h LEU 147 CO -0.03 0.76 -0.11 -0.78 -0.34 0.00 0.00 178.44 177.94 2q4r h ASP 148 N 0.14 0.00 -0.09 1.25 3.58 0.91 0.34 116.42 122.55 2q4r h ASP 148 Ca 0.05 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.49 2q4r h ASP 148 Cb 0.60 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.64 2q4r h ASP 148 CO 0.03 0.11 0.02 0.50 -2.88 0.00 0.00 179.24 177.02 2q4r h LYS 149 N 0.00 0.15 0.00 0.28 3.64 -0.56 0.39 116.57 120.47 2q4r h LYS 149 Ca -0.00 -0.04 -0.16 0.00 -1.27 0.00 0.00 60.65 59.18 2q4r h LYS 149 Cb 0.35 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 2q4r h LYS 149 CO 0.01 0.34 -1.18 -0.22 -2.27 0.00 0.00 179.45 176.14 2q4r h LYS 150 N -0.07 0.00 0.06 1.90 3.11 -1.40 -3.37 116.57 116.80 2q4r h LYS 150 Ca 0.03 0.00 -0.31 0.00 -2.81 0.00 0.00 60.65 57.56 2q4r h LYS 150 Cb 0.26 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.46 2q4r h LYS 150 CO 0.00 0.41 -1.70 0.93 -2.81 0.00 0.00 179.45 176.28 2q4r h GLU 151 N 0.00 0.12 -3.95 1.90 4.39 -0.34 -3.49 114.58 113.21 2q4r h GLU 151 Ca -0.12 -0.20 -0.24 0.00 0.34 0.00 0.00 59.36 59.14 2q4r h GLU 151 Cb 1.58 0.08 0.09 0.00 -0.10 0.00 0.00 28.75 30.39 2q4r h GLU 151 CO 0.06 0.84 -0.42 0.09 -1.16 0.00 0.00 179.01 178.42 2q4r n ASN 152 N -3.26 -4.32 0.11 1.42 4.13 0.14 -4.96 115.26 108.51 2q4r n ASN 152 Ca -0.19 -0.33 -0.08 0.00 1.68 0.00 0.00 54.58 55.66 2q4r n ASN 152 Cb 1.04 -3.24 -0.04 0.00 -1.54 0.00 0.00 39.78 36.00 2q4r n ASN 152 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 2q4r h ILE 153 N -1.57 0.00 -0.21 2.41 1.08 -1.88 -1.71 117.51 115.63 2q4r h ILE 153 Ca -0.34 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.16 2q4r h ILE 153 Cb 1.22 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 34.93 2q4r h ILE 153 CO 0.33 0.00 -0.02 0.03 -0.69 0.00 0.00 178.15 177.80 2q4r h ARG 154 N -0.42 0.04 -0.60 2.37 3.08 -1.93 0.14 114.38 117.05 2q4r h ARG 154 Ca -0.02 -0.00 0.12 0.00 0.07 0.00 0.00 59.98 60.15 2q4r h ARG 154 Cb 0.38 -0.01 -0.11 0.00 0.08 0.00 0.00 29.97 30.31 2q4r h ARG 154 CO -0.06 0.03 -0.05 0.37 -1.07 0.00 0.00 179.97 179.20 2q4r h GLN 155 N 0.04 0.07 -0.02 0.04 4.15 -1.93 0.16 115.11 117.62 2q4r h GLN 155 Ca 0.10 -0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.38 2q4r h GLN 155 Cb 0.14 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 2q4r h GLN 155 CO -0.19 0.05 -0.63 -0.22 -1.93 0.00 0.00 178.83 175.92 2q4r h LYS 156 N 0.08 0.09 0.51 1.69 3.64 -0.88 -1.32 116.57 120.38 2q4r h LYS 156 Ca 0.31 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.59 2q4r h LYS 156 Cb 0.49 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.32 2q4r h LYS 156 CO -0.55 0.69 -0.25 0.35 -2.27 0.00 0.00 179.45 177.42 2q4r h PHE 157 N 0.07 -0.64 -0.10 1.91 3.04 0.12 0.52 116.94 121.86 2q4r h PHE 157 Ca -0.01 -0.02 0.04 0.00 3.98 0.00 0.00 57.97 61.97 2q4r h PHE 157 Cb 1.12 0.21 -0.05 0.00 2.56 0.00 0.00 35.95 39.79 2q4r h PHE 157 CO 0.01 -0.34 -0.19 0.28 -2.02 0.00 0.00 178.31 176.05 2q4r h VAL 158 N -0.83 0.53 -0.21 1.41 2.07 -0.73 0.22 116.25 118.71 2q4r h VAL 158 Ca -0.07 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.50 2q4r h VAL 158 Cb 0.59 0.53 -0.06 0.00 -1.52 0.00 0.00 31.29 30.82 2q4r h VAL 158 CO 0.12 0.00 -0.17 0.00 0.02 0.00 0.00 177.57 177.53 2q4r h ALA 159 N 0.73 -0.04 -0.90 1.67 0.00 -1.20 0.63 119.26 120.16 2q4r h ALA 159 Ca 0.09 0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.16 2q4r h ALA 159 Cb 0.38 0.37 -0.06 0.00 0.00 0.00 0.00 17.79 18.48 2q4r h ALA 159 CO -0.25 -0.60 0.58 0.22 0.00 0.00 0.00 179.25 179.21 2q4r h ASP 160 N -0.18 0.85 -0.04 0.00 1.82 -0.11 0.76 116.42 119.52 2q4r h ASP 160 Ca 0.12 0.02 -0.13 0.00 -0.39 0.00 0.00 57.03 56.65 2q4r h ASP 160 Cb 0.37 -0.16 -0.01 0.00 0.68 0.00 0.00 39.33 40.20 2q4r h ASP 160 CO -0.32 0.51 -0.41 -0.07 -1.61 0.00 0.00 179.24 177.35 2q4r h LEU 161 N 0.94 0.60 -0.17 2.28 3.38 0.12 -3.18 115.31 119.28 2q4r h LEU 161 Ca 0.41 -0.27 0.04 0.00 0.09 0.00 0.00 57.88 58.16 2q4r h LEU 161 Cb 0.33 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 40.84 2q4r h LEU 161 CO -0.17 0.94 -0.44 0.03 0.09 0.00 0.00 178.44 178.89 2q4r h ARG 162 N 0.46 -0.46 -0.84 1.13 3.08 0.27 0.05 114.38 118.07 2q4r h ARG 162 Ca 0.04 0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.18 2q4r h ARG 162 Cb 0.91 0.11 -0.06 0.00 0.08 0.00 0.00 29.97 31.00 2q4r h ARG 162 CO 0.08 -0.31 0.52 -0.22 -1.07 0.00 0.00 179.97 178.97 2q4r h LYS 163 N -0.48 0.93 0.84 0.04 3.64 -1.58 -3.13 116.57 116.83 2q4r h LYS 163 Ca 0.08 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.36 2q4r h LYS 163 Cb 0.63 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 2q4r h LYS 163 CO -0.43 0.62 -0.45 1.49 -2.27 0.00 0.00 179.45 178.41 2q4r h GLU 164 N 0.96 -1.15 -1.31 1.90 4.57 -1.26 -2.93 114.58 115.36 2q4r h GLU 164 Ca 0.36 0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.62 2q4r h GLU 164 Cb 0.15 0.26 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 2q4r h GLU 164 CO -0.17 -0.77 0.00 1.19 -1.18 0.00 0.00 179.01 178.09 2q4r n PHE 165 N -5.36 0.00 -1.69 0.92 3.72 -0.10 -4.88 117.46 110.07 2q4r n PHE 165 Ca -0.15 -0.26 -0.44 0.00 -0.05 0.00 0.00 57.45 56.55 2q4r n PHE 165 Cb 0.48 -0.17 -0.02 0.00 -0.94 0.00 0.00 39.48 38.83 2q4r n PHE 165 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2q4r n ALA 166 N 0.64 1.54 -0.34 4.37 0.00 -1.11 -1.54 120.51 124.08 2q4r n ALA 166 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.84 2q4r n ALA 166 Cb 0.28 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.40 2q4r n ALA 166 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2q4r n GLY 167 N 2.03 1.87 0.22 0.00 0.00 -1.26 -4.88 105.19 103.16 2q4r n GLY 167 Ca 0.10 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.26 2q4r n GLY 167 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2q4r h LYS 168 N 1.96 0.00 -4.30 1.61 1.79 -1.66 -3.49 116.57 112.49 2q4r h LYS 168 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2q4r h LYS 168 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2q4r h LYS 168 CO 0.00 0.00 -0.29 0.41 -1.08 0.00 0.00 179.45 178.49 2q4r n GLY 169 N 0.61 -1.12 3.60 3.86 0.00 -1.26 -4.99 105.19 105.88 2q4r n GLY 169 Ca 0.03 0.66 -0.10 0.00 0.00 0.00 0.00 46.02 46.61 2q4r n GLY 169 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2q4r s LEU 170 N -1.89 -0.39 0.78 0.99 2.34 -1.26 -3.20 118.68 116.05 2q4r s LEU 170 Ca 0.14 0.54 -0.06 0.00 0.06 0.00 0.00 54.13 54.81 2q4r s LEU 170 Cb -0.04 1.85 0.14 0.00 -0.56 0.00 0.00 46.19 47.58 2q4r s LEU 170 CO 0.44 -0.28 1.08 -0.89 -1.06 0.00 0.00 176.35 175.65 2q4r s THR 171 N -0.68 2.12 -0.16 5.48 2.01 0.37 -4.61 115.64 120.18 2q4r s THR 171 Ca -0.00 -0.40 -0.07 0.00 0.31 0.00 0.00 61.69 61.53 2q4r s THR 171 Cb -0.02 -2.72 0.07 0.00 0.01 0.00 0.00 72.50 69.84 2q4r s THR 171 CO -0.01 0.00 0.35 -0.36 -0.69 0.00 0.00 174.62 173.91 2q4r s PHE 172 N -3.35 -0.59 -0.04 4.92 0.08 -1.26 -3.40 117.98 114.34 2q4r s PHE 172 Ca 0.68 1.22 0.04 0.00 0.12 0.00 0.00 56.93 58.98 2q4r s PHE 172 Cb -0.05 0.16 -0.00 0.00 -0.57 0.00 0.00 43.02 42.56 2q4r s PHE 172 CO 0.47 -0.38 -0.16 0.45 -0.10 0.00 0.00 175.22 175.50 2q4r s SER 173 N 2.11 1.99 0.00 1.36 0.15 -0.62 -5.04 113.70 113.64 2q4r s SER 173 Ca -0.04 -0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.29 2q4r s SER 173 Cb -0.11 -0.57 0.00 0.00 -1.71 0.00 0.00 66.02 63.63 2q4r s SER 173 CO -0.11 0.13 0.00 -0.38 1.20 0.00 0.00 173.24 174.08 2q4r n ILE 174 N 3.21 0.00 -4.94 6.45 5.41 -1.26 -1.31 119.36 126.90 2q4r n ILE 174 Ca -0.18 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.57 2q4r n ILE 174 Cb 0.53 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.46 2q4r n ILE 174 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2q4r n GLY 175 N 4.82 0.63 3.01 7.39 0.00 -1.26 -4.60 105.19 115.17 2q4r n GLY 175 Ca 0.00 -0.87 0.14 0.00 0.00 0.00 0.00 46.02 45.29 2q4r n GLY 175 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2q4r n GLY 176 N 0.00 -1.63 0.13 -0.02 0.00 -1.26 -4.67 105.19 97.74 2q4r n GLY 176 Ca 0.00 -1.10 -0.22 0.00 0.00 0.00 0.00 46.02 44.70 2q4r n GLY 176 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2q4r n GLN 177 N -3.66 0.67 0.00 1.61 6.02 -1.26 -4.81 117.38 115.95 2q4r n GLN 177 Ca 0.01 0.29 0.00 0.00 -0.01 0.00 0.00 57.00 57.29 2q4r n GLN 177 Cb 0.48 -1.63 0.00 0.00 1.02 0.00 0.00 30.24 30.11 2q4r n GLN 177 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 2q4r n ILE 178 N -3.73 0.21 -1.69 5.09 -0.00 -1.26 -4.45 119.36 113.53 2q4r n ILE 178 Ca -0.39 -0.32 0.00 0.00 -0.00 0.00 0.00 62.75 62.04 2q4r n ILE 178 Cb 0.94 1.19 0.00 0.00 -0.00 0.00 0.00 39.64 41.77 2q4r n ILE 178 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 2q4r n SER 179 N -0.10 0.00 0.00 7.28 3.41 -1.26 -3.98 113.62 118.96 2q4r n SER 179 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2q4r n SER 179 Cb 0.27 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 2q4r n SER 179 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 2q4r n PHE 180 N 0.00 0.00 -4.24 7.33 1.16 -1.20 -4.71 117.46 115.81 2q4r n PHE 180 Ca 0.00 0.00 -0.31 0.00 -1.87 0.00 0.00 57.45 55.27 2q4r n PHE 180 Cb 0.00 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 37.78 2q4r n PHE 180 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2q4r s ASP 181 N 0.00 4.89 0.26 5.98 1.01 -0.43 -1.16 116.67 127.21 2q4r s ASP 181 Ca 0.00 -0.16 0.08 0.00 0.71 0.00 0.00 52.55 53.18 2q4r s ASP 181 Cb 0.00 -1.16 -0.04 0.00 1.01 0.00 0.00 42.92 42.74 2q4r s ASP 181 CO 0.00 0.22 0.13 -0.69 0.21 0.00 0.00 175.17 175.04 2q4r s VAL 182 N -1.19 4.11 -0.30 -1.27 1.01 -0.17 -1.59 120.40 121.00 2q4r s VAL 182 Ca 0.22 -1.58 -0.23 0.00 0.00 0.00 0.00 61.98 60.40 2q4r s VAL 182 Cb -0.11 -3.21 0.20 0.00 0.00 0.00 0.00 36.38 33.25 2q4r s VAL 182 CO 0.14 -0.36 1.41 0.72 0.00 0.00 0.00 175.10 177.02 2q4r s PHE 183 N -2.20 -0.04 0.56 5.22 -0.12 -1.22 -1.78 117.98 118.41 2q4r s PHE 183 Ca 0.32 0.09 -0.18 0.00 -0.05 0.00 0.00 56.93 57.11 2q4r s PHE 183 Cb -0.07 0.37 -0.09 0.00 -0.63 0.00 0.00 43.02 42.60 2q4r s PHE 183 CO 0.23 -0.02 0.55 -2.30 -0.05 0.00 0.00 175.22 173.64 2q4r n PRO 184 N 1.95 0.54 -1.27 1.99 -0.02 -1.26 -0.48 135.00 136.44 2q4r n PRO 184 Ca -0.12 0.21 -0.36 0.00 -2.02 0.00 0.00 63.50 61.21 2q4r n PRO 184 Cb 0.57 -1.72 0.06 0.00 -0.02 0.00 0.00 33.50 32.39 2q4r n PRO 184 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2q4r n ASP 185 N 0.46 -1.42 0.00 2.55 8.00 -1.19 -1.28 116.55 123.66 2q4r n ASP 185 Ca 0.12 0.60 0.00 0.00 0.71 0.00 0.00 54.79 56.22 2q4r n ASP 185 Cb 0.47 -1.18 0.00 0.00 -0.02 0.00 0.00 41.12 40.39 2q4r n ASP 185 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2q4r n GLY 186 N 1.75 0.13 2.20 0.44 0.00 -1.26 -4.81 105.19 103.63 2q4r n GLY 186 Ca 0.10 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.93 2q4r n GLY 186 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2q4r n TRP 187 N -2.05 0.70 -4.60 1.61 7.02 -0.41 -3.81 117.44 115.91 2q4r n TRP 187 Ca 0.00 -1.73 -0.27 0.00 -1.02 0.00 0.00 57.50 54.48 2q4r n TRP 187 Cb 0.14 -1.54 -0.10 0.00 -2.42 0.00 0.00 31.31 27.39 2q4r n TRP 187 CO 0.00 0.00 0.00 0.16 -2.02 0.00 0.00 177.69 175.83 2q4r s ASP 188 N 1.36 3.47 0.32 -0.99 -4.77 -1.26 -4.90 116.67 109.90 2q4r s ASP 188 Ca 0.64 -1.46 0.23 0.00 -3.30 0.00 0.00 52.55 48.65 2q4r s ASP 188 Cb 0.34 -0.04 1.11 0.00 -1.09 0.00 0.00 42.92 43.24 2q4r s ASP 188 CO -0.09 -0.62 1.20 0.29 0.70 0.00 0.00 175.17 176.65 2q4r n LYS 189 N -0.96 -0.03 0.28 2.11 5.02 -1.26 0.18 118.16 123.50 2q4r n LYS 189 Ca -0.07 0.98 0.14 0.00 -2.02 0.00 0.00 58.31 57.34 2q4r n LYS 189 Cb 0.67 -1.89 0.66 0.00 -0.02 0.00 0.00 35.03 34.45 2q4r n LYS 189 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2q4r h ARG 190 N 0.00 0.00 -0.86 1.97 3.08 -1.83 0.34 114.38 117.08 2q4r h ARG 190 Ca 0.67 0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.86 2q4r h ARG 190 Cb 2.06 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 32.04 2q4r h ARG 190 CO -0.41 0.00 0.56 -0.92 -1.07 0.00 0.00 179.97 178.12 2q4r h TYR 191 N 0.00 0.76 0.00 3.04 3.20 0.18 -1.66 116.97 122.49 2q4r h TYR 191 Ca 0.04 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.93 2q4r h TYR 191 Cb 1.02 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 39.05 2q4r h TYR 191 CO 0.00 0.29 -0.02 0.00 -1.64 0.00 0.00 178.16 176.79 2q4r h LEU 193 N 0.00 0.00 -1.18 0.00 3.38 -1.49 -1.89 115.31 114.13 2q4r h LEU 193 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2q4r h LEU 193 Cb 0.19 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2q4r h LEU 193 CO 0.00 0.07 0.40 0.08 0.09 0.00 0.00 178.44 179.08 2q4r h ARG 194 N 0.00 0.96 0.00 1.13 0.11 -1.69 0.17 114.38 115.07 2q4r h ARG 194 Ca -0.00 -0.09 0.00 0.00 0.10 0.00 0.00 59.98 59.98 2q4r h ARG 194 Cb 0.13 -0.20 0.00 0.00 1.11 0.00 0.00 29.97 31.02 2q4r h ARG 194 CO 0.01 0.70 0.00 0.72 0.10 0.00 0.00 179.97 181.49 2q4r n HIS 195 N -4.38 0.00 0.00 4.08 8.25 -0.71 -3.67 115.22 118.80 2q4r n HIS 195 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 2q4r n HIS 195 Cb 0.09 -0.18 0.00 0.00 1.12 0.00 0.00 29.99 31.02 2q4r n HIS 195 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 2q4r n VAL 196 N -1.18 0.00 -0.29 1.59 0.24 -0.49 -4.86 118.33 113.33 2q4r n VAL 196 Ca 0.12 -0.11 -0.01 0.00 -2.04 0.00 0.00 64.34 62.30 2q4r n VAL 196 Cb 0.13 0.59 -0.01 0.00 -1.47 0.00 0.00 33.84 33.07 2q4r n VAL 196 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 2q4r n GLU 197 N -0.57 0.59 0.00 7.34 0.28 0.47 -2.22 120.64 126.52 2q4r n GLU 197 Ca 0.00 -0.08 0.00 0.00 -0.16 0.00 0.00 57.16 56.92 2q4r n GLU 197 Cb 0.00 -1.33 0.00 0.00 1.43 0.00 0.00 31.44 31.54 2q4r n GLU 197 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2q4r n ASN 198 N 1.91 0.00 -2.13 -1.84 3.02 -1.26 -4.95 115.26 110.01 2q4r n ASN 198 Ca 0.03 -1.00 -0.24 0.00 -0.03 0.00 0.00 54.58 53.34 2q4r n ASN 198 Cb 0.29 0.00 0.16 0.00 -0.61 0.00 0.00 39.78 39.62 2q4r n ASN 198 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2q4r n ASP 199 N 0.00 4.41 -3.88 6.41 8.00 -0.94 -4.94 116.55 125.60 2q4r n ASP 199 Ca 0.00 -3.67 -0.27 0.00 0.71 0.00 0.00 54.79 51.56 2q4r n ASP 199 Cb 0.50 -0.84 0.02 0.00 -0.02 0.00 0.00 41.12 40.78 2q4r n ASP 199 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2q4r n GLY 200 N -1.09 -0.39 3.67 0.44 0.00 -1.26 -4.96 105.19 101.59 2q4r n GLY 200 Ca 0.57 0.16 -0.39 0.00 0.00 0.00 0.00 46.02 46.36 2q4r n GLY 200 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2q4r s TYR 201 N -3.51 3.40 -1.05 1.61 2.02 -1.26 -4.86 117.35 113.71 2q4r s TYR 201 Ca 0.37 0.87 0.21 0.00 -0.37 0.00 0.00 57.07 58.15 2q4r s TYR 201 Cb -0.19 -2.71 0.92 0.00 -0.40 0.00 0.00 41.96 39.58 2q4r s TYR 201 CO 0.84 -0.08 1.67 1.63 -1.57 0.00 0.00 175.55 178.04 2q4r n LYS 202 N 4.67 0.04 -3.59 -0.62 4.01 0.54 -4.81 118.16 118.40 2q4r n LYS 202 Ca -0.04 0.13 -0.09 0.00 -0.51 0.00 0.00 58.31 57.81 2q4r n LYS 202 Cb 0.50 -1.50 -0.05 0.00 -0.51 0.00 0.00 35.03 33.47 2q4r n LYS 202 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 2q4r s THR 203 N -2.95 0.00 -0.39 -0.18 2.01 -1.25 -4.78 115.64 108.10 2q4r s THR 203 Ca 0.11 0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.12 2q4r s THR 203 Cb 0.14 -1.00 0.13 0.00 0.01 0.00 0.00 72.50 71.77 2q4r s THR 203 CO 0.37 0.00 0.19 -0.63 -0.69 0.00 0.00 174.62 173.87 2q4r s ILE 204 N -1.03 1.12 0.18 1.82 1.01 -1.25 -2.12 121.20 120.93 2q4r s ILE 204 Ca 0.00 -2.14 -0.30 0.00 0.00 0.00 0.00 60.65 58.21 2q4r s ILE 204 Cb -0.01 -1.80 -0.08 0.00 0.01 0.00 0.00 42.46 40.58 2q4r s ILE 204 CO -0.00 -0.84 1.16 -0.31 0.00 0.00 0.00 174.94 174.95 2q4r s TYR 205 N 0.79 3.48 -0.08 3.97 2.02 -0.70 -4.18 117.35 122.65 2q4r s TYR 205 Ca 0.15 1.49 0.05 0.00 -0.37 0.00 0.00 57.07 58.39 2q4r s TYR 205 Cb -0.22 -3.38 -0.01 0.00 -0.40 0.00 0.00 41.96 37.95 2q4r s TYR 205 CO -0.06 -0.99 -0.24 0.12 -1.57 0.00 0.00 175.55 172.80 2q4r s PHE 206 N -0.12 2.52 -0.14 2.71 5.36 -1.26 -0.76 117.98 126.29 2q4r s PHE 206 Ca 0.52 -0.87 0.01 0.00 -0.96 0.00 0.00 56.93 55.63 2q4r s PHE 206 Cb -0.31 -1.66 -0.00 0.00 -0.34 0.00 0.00 43.02 40.70 2q4r s PHE 206 CO 0.36 -0.31 -0.18 -0.06 -1.46 0.00 0.00 175.22 173.57 2q4r s PHE 207 N 0.09 2.72 0.00 10.12 0.08 -0.10 0.20 117.98 131.09 2q4r s PHE 207 Ca -0.11 -1.05 0.00 0.00 0.12 0.00 0.00 56.93 55.88 2q4r s PHE 207 Cb -0.16 -1.83 0.00 0.00 -0.57 0.00 0.00 43.02 40.46 2q4r s PHE 207 CO 0.06 -0.46 0.00 0.41 -0.10 0.00 0.00 175.22 175.14 2q4r n GLY 208 N 3.88 -0.91 3.47 4.36 0.00 -0.26 -1.60 105.19 114.14 2q4r n GLY 208 Ca -0.19 0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 2q4r n GLY 208 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2q4r s ASP 209 N -4.00 3.91 0.47 1.61 -0.00 -1.26 0.22 116.67 117.62 2q4r s ASP 209 Ca 0.00 -0.33 0.16 0.00 -0.00 0.00 0.00 52.55 52.37 2q4r s ASP 209 Cb 0.00 -0.71 1.13 0.00 -0.00 0.00 0.00 42.92 43.34 2q4r s ASP 209 CO 0.00 0.29 2.04 0.07 -0.00 0.00 0.00 175.17 177.56 2q4r h LYS 210 N 4.81 0.24 0.00 8.23 2.10 -1.93 -3.45 116.57 126.57 2q4r h LYS 210 Ca -0.47 -0.01 -0.44 0.00 -2.00 0.00 0.00 60.65 57.72 2q4r h LYS 210 Cb 1.15 -0.06 -0.10 0.00 -0.90 0.00 0.00 32.23 32.33 2q4r h LYS 210 CO 0.49 0.16 -0.38 0.25 -2.00 0.00 0.00 179.45 177.97 2q4r n THR 211 N -4.47 0.00 0.00 0.07 -2.24 -1.26 -4.35 114.28 102.03 2q4r n THR 211 Ca 0.06 -1.97 0.00 0.00 -2.27 0.00 0.00 64.05 59.87 2q4r n THR 211 Cb 0.30 0.77 0.00 0.00 -2.10 0.00 0.00 70.33 69.30 2q4r n THR 211 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2q4r n ASN 216 N -1.69 0.00 0.00 3.42 5.15 -1.26 -4.39 115.26 116.49 2q4r n ASN 216 Ca -0.02 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.96 2q4r n ASN 216 Cb 0.50 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.75 2q4r n ASN 216 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2q4r n ASP 217 N -2.34 0.00 -4.55 1.20 -0.08 -1.26 -5.12 116.55 104.41 2q4r n ASP 217 Ca 0.00 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 52.86 2q4r n ASP 217 Cb 0.00 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.40 2q4r n ASP 217 CO 0.00 0.00 0.00 -1.00 0.12 0.00 0.00 177.20 176.32 2q4r s HIS 218 N -1.10 3.09 -2.00 -0.67 3.76 -1.26 -4.95 115.29 112.15 2q4r s HIS 218 Ca 0.00 0.17 0.15 0.00 -0.15 0.00 0.00 55.06 55.23 2q4r s HIS 218 Cb 0.00 -3.33 0.90 0.00 1.11 0.00 0.00 32.58 31.26 2q4r s HIS 218 CO 0.00 -0.79 1.40 0.39 -0.85 0.00 0.00 174.74 174.89 2q4r n GLU 219 N 6.28 0.73 0.11 1.40 1.02 -1.26 -2.59 120.64 126.32 2q4r n GLU 219 Ca -0.00 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.23 2q4r n GLU 219 Cb 0.48 -1.32 0.01 0.00 -0.02 0.00 0.00 31.44 30.59 2q4r n GLU 219 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 2q4r h ILE 220 N 0.00 0.10 -0.30 -3.67 2.10 -1.96 -3.27 117.51 110.52 2q4r h ILE 220 Ca 0.00 -1.19 -0.11 0.00 1.08 0.00 0.00 64.86 64.64 2q4r h ILE 220 Cb 0.00 1.68 -0.01 0.00 -1.09 0.00 0.00 36.82 37.39 2q4r h ILE 220 CO 0.00 0.06 -0.26 0.15 -1.08 0.00 0.00 178.15 177.02 2q4r h PHE 221 N 0.00 0.67 -0.69 2.19 3.57 -1.84 -3.15 116.94 117.69 2q4r h PHE 221 Ca -0.02 -0.15 0.00 0.00 3.53 0.00 0.00 57.97 61.32 2q4r h PHE 221 Cb 1.10 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.68 2q4r h PHE 221 CO 0.00 0.80 0.00 0.25 -2.23 0.00 0.00 178.31 177.13 2q4r n THR 222 N -4.11 1.22 -1.89 4.41 -2.24 -1.25 -4.05 114.28 106.37 2q4r n THR 222 Ca -0.00 -1.01 -0.39 0.00 -2.27 0.00 0.00 64.05 60.38 2q4r n THR 222 Cb 0.43 0.35 0.02 0.00 -2.10 0.00 0.00 70.33 69.03 2q4r n THR 222 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2q4r s ASP 223 N -0.96 5.72 0.48 3.42 -1.08 -1.19 -4.89 116.67 118.16 2q4r s ASP 223 Ca 0.48 2.73 0.20 0.00 -0.52 0.00 0.00 52.55 55.44 2q4r s ASP 223 Cb 0.27 -2.64 1.18 0.00 -1.46 0.00 0.00 42.92 40.27 2q4r s ASP 223 CO 0.30 -1.26 2.02 1.55 0.52 0.00 0.00 175.17 178.29 2q4r h PRO 224 N 1.97 0.00 0.00 4.34 0.13 -1.93 -2.54 132.00 133.96 2q4r h PRO 224 Ca -0.50 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.54 2q4r h PRO 224 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 2q4r h PRO 224 CO 0.59 0.16 -0.39 0.00 -0.23 0.00 0.00 178.00 178.14 2q4r h ARG 225 N 0.00 0.00 0.00 0.86 3.08 -1.95 -3.51 114.38 112.86 2q4r h ARG 225 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2q4r h ARG 225 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.38 2q4r h ARG 225 CO 0.02 0.39 0.00 0.25 -1.07 0.00 0.00 179.97 179.56 2q4r n THR 226 N -3.41 0.00 0.00 2.04 -2.24 -0.96 -3.82 114.28 105.89 2q4r n THR 226 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 2q4r n THR 226 Cb 0.56 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 2q4r n THR 226 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2q4r n GLY 228 N 5.00 4.20 3.19 3.38 0.00 -1.26 -4.71 105.19 114.99 2q4r n GLY 228 Ca 0.00 -0.43 -0.15 0.00 0.00 0.00 0.00 46.02 45.44 2q4r n GLY 228 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2q4r s TYR 229 N -0.82 1.12 -0.15 1.61 2.02 0.52 -4.83 117.35 116.82 2q4r s TYR 229 Ca 0.00 -0.67 -0.10 0.00 -0.37 0.00 0.00 57.07 55.93 2q4r s TYR 229 Cb 0.00 -0.60 -0.05 0.00 -0.40 0.00 0.00 41.96 40.91 2q4r s TYR 229 CO 0.00 0.02 0.20 -1.12 -1.57 0.00 0.00 175.55 173.08 2q4r s SER 230 N -2.56 6.38 0.12 2.29 0.01 -1.25 -1.10 113.70 117.59 2q4r s SER 230 Ca 0.08 0.44 0.07 0.00 1.31 0.00 0.00 55.95 57.85 2q4r s SER 230 Cb -0.02 -2.12 -0.04 0.00 0.21 0.00 0.00 66.02 64.05 2q4r s SER 230 CO 0.00 0.24 -0.17 0.68 0.41 0.00 0.00 173.24 174.41 2q4r s VAL 231 N -0.18 1.53 0.00 3.43 -7.23 0.58 -4.87 120.40 113.66 2q4r s VAL 231 Ca 0.14 -1.66 0.00 0.00 -1.81 0.00 0.00 61.98 58.64 2q4r s VAL 231 Cb -0.12 -1.55 0.00 0.00 0.56 0.00 0.00 36.38 35.26 2q4r s VAL 231 CO 0.03 -0.27 0.00 0.35 -0.31 0.00 0.00 175.10 174.90 2q4r n THR 232 N 0.73 0.00 -4.24 5.32 -2.24 -1.26 -4.64 114.28 107.94 2q4r n THR 232 Ca -0.17 0.04 -0.23 0.00 -2.27 0.00 0.00 64.05 61.42 2q4r n THR 232 Cb 0.56 -0.95 -0.07 0.00 -2.10 0.00 0.00 70.33 67.77 2q4r n THR 232 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2q4r s ALA 233 N -4.29 3.25 0.42 6.98 0.00 -1.26 -4.83 121.76 122.03 2q4r s ALA 233 Ca 0.00 -1.55 0.16 0.00 0.00 0.00 0.00 51.96 50.57 2q4r s ALA 233 Cb 0.00 -0.92 1.06 0.00 0.00 0.00 0.00 23.12 23.26 2q4r s ALA 233 CO 0.00 0.30 1.88 -1.35 0.00 0.00 0.00 175.76 176.59 2q4r h PRO 234 N 1.96 0.41 -0.82 0.00 0.11 -1.81 1.33 132.00 133.17 2q4r h PRO 234 Ca -0.46 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 2q4r h PRO 234 Cb 1.24 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.22 2q4r h PRO 234 CO 0.60 0.27 0.47 0.93 -0.21 0.00 0.00 178.00 180.06 2q4r h GLU 235 N 0.43 1.13 -0.05 1.05 5.08 -1.94 -0.12 114.58 120.15 2q4r h GLU 235 Ca 0.43 -0.12 -0.19 0.00 -1.00 0.00 0.00 59.36 58.48 2q4r h GLU 235 Cb 1.03 -0.23 0.01 0.00 0.50 0.00 0.00 28.75 30.06 2q4r h GLU 235 CO -0.16 0.82 -0.72 0.22 -1.00 0.00 0.00 179.01 178.17 2q4r h ASP 236 N 1.14 0.72 -0.74 1.42 3.58 0.10 -2.66 116.42 119.99 2q4r h ASP 236 Ca 0.29 -0.70 0.06 0.00 0.42 0.00 0.00 57.03 57.10 2q4r h ASP 236 Cb -0.00 -0.22 -0.06 0.00 1.72 0.00 0.00 39.33 40.77 2q4r h ASP 236 CO -0.05 1.32 0.43 0.74 -2.88 0.00 0.00 179.24 178.80 2q4r h THR 237 N 0.19 1.00 -0.08 2.25 2.02 0.49 0.38 112.91 119.15 2q4r h THR 237 Ca -0.08 -0.27 -0.08 0.00 0.77 0.00 0.00 66.41 66.75 2q4r h THR 237 Cb 1.39 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 2q4r h THR 237 CO 0.14 0.15 -0.33 0.03 0.37 0.00 0.00 175.52 175.88 2q4r h ARG 238 N 0.80 0.16 -0.17 6.66 3.08 -1.05 0.12 114.38 123.97 2q4r h ARG 238 Ca 0.33 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.31 2q4r h ARG 238 Cb 0.18 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 2q4r h ARG 238 CO -0.18 0.48 0.10 -0.09 -1.07 0.00 0.00 179.97 179.21 2q4r h ARG 239 N 0.14 0.24 -0.02 0.04 2.43 -0.60 -1.09 114.38 115.52 2q4r h ARG 239 Ca 0.02 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 2q4r h ARG 239 Cb 0.65 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 2q4r h ARG 239 CO 0.05 0.24 -0.20 0.82 -1.51 0.00 0.00 179.97 179.37 2q4r h ILE 240 N 0.18 1.50 0.00 1.20 2.04 -0.95 -2.20 117.51 119.29 2q4r h ILE 240 Ca 0.06 -1.76 0.00 0.00 1.00 0.00 0.00 64.86 64.16 2q4r h ILE 240 Cb 0.06 2.58 0.00 0.00 -0.74 0.00 0.00 36.82 38.72 2q4r h ILE 240 CO -0.01 0.48 0.00 0.00 0.00 0.00 0.00 178.15 178.62 2q4r n GLU 242 N -2.06 0.63 0.03 0.00 4.07 -0.41 -3.38 120.64 119.52 2q4r n GLU 242 Ca -0.01 0.29 -0.19 0.00 -0.06 0.00 0.00 57.16 57.20 2q4r n GLU 242 Cb 0.05 -1.79 -0.13 0.00 -0.06 0.00 0.00 31.44 29.51 2q4r n GLU 242 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 2q4r h LEU 243 N 0.00 0.49 -0.34 4.31 5.85 0.21 -3.28 115.31 122.55 2q4r h LEU 243 Ca -0.28 -0.86 0.00 0.00 0.84 0.00 0.00 57.88 57.57 2q4r h LEU 243 Cb 2.00 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.87 2q4r h LEU 243 CO 0.08 1.30 0.00 0.18 -0.34 0.00 0.00 178.44 179.66 2q4r n LEU 244 N -4.18 0.57 -4.09 2.25 4.32 0.49 -4.79 117.00 111.58 2q4r n LEU 244 Ca -0.12 0.60 -0.14 0.00 -0.02 0.00 0.00 56.01 56.33 2q4r n LEU 244 Cb 0.74 -0.48 -0.12 0.00 -1.62 0.00 0.00 43.42 41.95 2q4r n LEU 244 CO 0.47 -0.36 -0.42 -0.36 -1.22 0.00 0.00 177.39 175.51 2q4r s PHE 245 N -3.18 0.80 0.00 -1.77 0.08 -1.22 -5.09 117.98 107.61 2q4r s PHE 245 Ca 0.07 -0.48 0.00 0.00 0.12 0.00 0.00 56.93 56.64 2q4r s PHE 245 Cb 0.11 -0.47 0.00 0.00 -0.57 0.00 0.00 43.02 42.09 2q4r s PHE 245 CO 0.45 -0.05 0.00 -1.13 -0.10 0.00 0.00 175.22 174.39