#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j5r s LYS 23 N 0.00 0.84 -0.02 -0.78 2.20 -1.26 -0.91 119.74 119.81 2j5r s LYS 23 Ca 0.00 -0.50 0.07 0.00 -0.36 0.00 0.00 55.97 55.18 2j5r s LYS 23 Cb 0.00 -0.81 -0.02 0.00 -1.51 0.00 0.00 37.83 35.50 2j5r s LYS 23 CO 0.00 0.21 -0.23 0.08 -0.36 0.00 0.00 175.35 175.05 2j5r s VAL 24 N -0.48 1.82 0.04 4.02 1.01 -0.57 -0.69 120.40 125.54 2j5r s VAL 24 Ca 0.02 -0.99 0.06 0.00 0.00 0.00 0.00 61.98 61.08 2j5r s VAL 24 Cb -0.05 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 2j5r s VAL 24 CO 0.00 0.52 -0.16 -0.44 0.00 0.00 0.00 175.10 175.02 2j5r s SER 25 N -0.53 3.94 -0.18 3.32 0.01 -0.58 -0.91 113.70 118.77 2j5r s SER 25 Ca 0.09 -0.38 0.01 0.00 1.31 0.00 0.00 55.95 56.97 2j5r s SER 25 Cb -0.09 -0.69 0.03 0.00 0.21 0.00 0.00 66.02 65.48 2j5r s SER 25 CO -0.01 0.26 -0.15 -0.69 0.41 0.00 0.00 173.24 173.07 2j5r s VAL 26 N -0.94 1.78 -0.37 3.43 1.01 0.88 -0.30 120.40 125.90 2j5r s VAL 26 Ca 0.15 -0.91 -0.12 0.00 0.00 0.00 0.00 61.98 61.10 2j5r s VAL 26 Cb -0.11 -1.72 0.01 0.00 0.00 0.00 0.00 36.38 34.57 2j5r s VAL 26 CO 0.06 0.36 0.23 -0.69 0.00 0.00 0.00 175.10 175.06 2j5r s VAL 27 N 1.37 4.85 0.00 2.92 1.01 0.41 0.20 120.40 131.16 2j5r s VAL 27 Ca 0.02 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.35 2j5r s VAL 27 Cb -0.14 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.60 2j5r s VAL 27 CO -0.10 -0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.43 2j5r n GLY 28 N 5.05 1.65 3.01 4.51 0.00 0.86 -1.39 105.19 118.88 2j5r n GLY 28 Ca -0.12 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.16 2j5r n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j5r n ALA 29 N 0.29 0.00 -1.38 4.61 0.00 -1.26 -4.15 120.51 118.62 2j5r n ALA 29 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 2j5r n ALA 29 Cb 0.00 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.61 2j5r n ALA 29 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2j5r s GLY 30 N -0.00 1.57 0.10 0.00 0.00 -1.26 -4.80 107.32 102.93 2j5r s GLY 30 Ca 0.00 -0.51 -0.30 0.00 0.00 0.00 0.00 44.72 43.91 2j5r s GLY 30 CO 0.00 0.10 1.63 -0.84 0.00 0.00 0.00 173.10 173.98 2j5r h THR 31 N -1.73 0.36 -0.09 0.90 2.02 -1.97 -1.41 112.91 110.99 2j5r h THR 31 Ca -0.52 0.00 -0.20 0.00 0.77 0.00 0.00 66.41 66.46 2j5r h THR 31 Cb 1.33 0.36 0.01 0.00 -1.74 0.00 0.00 68.15 68.11 2j5r h THR 31 CO 0.58 0.00 -0.73 0.58 0.37 0.00 0.00 175.52 176.32 2j5r h VAL 32 N -0.64 1.32 -0.44 3.16 2.07 -1.90 -2.83 116.25 116.99 2j5r h VAL 32 Ca -0.01 -2.00 0.05 0.00 0.82 0.00 0.00 66.70 65.56 2j5r h VAL 32 Cb 0.58 2.19 -0.05 0.00 -1.52 0.00 0.00 31.29 32.50 2j5r h VAL 32 CO -0.06 0.62 0.17 1.23 0.02 0.00 0.00 177.57 179.54 2j5r h GLY 33 N 0.32 0.58 1.24 2.17 0.00 -1.71 0.21 103.07 105.88 2j5r h GLY 33 Ca -0.07 -0.10 -0.09 0.00 0.00 0.00 0.00 47.33 47.08 2j5r h GLY 33 CO 0.15 0.03 -0.03 0.00 0.00 0.00 0.00 176.54 176.69 2j5r h ALA 34 N 1.28 0.96 0.00 3.60 0.00 -1.30 -1.12 119.26 122.69 2j5r h ALA 34 Ca 0.20 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 2j5r h ALA 34 Cb 0.19 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2j5r h ALA 34 CO -0.20 0.62 -0.49 0.00 0.00 0.00 0.00 179.25 179.19 2j5r h ALA 35 N 1.13 0.71 -0.10 0.00 0.00 -1.20 -2.65 119.26 117.15 2j5r h ALA 35 Ca 0.15 -0.44 -0.24 0.00 0.00 0.00 0.00 54.91 54.38 2j5r h ALA 35 Cb 0.54 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.26 2j5r h ALA 35 CO 0.03 0.61 -0.86 0.00 0.00 0.00 0.00 179.25 179.03 2j5r h ALA 36 N 1.51 0.24 -0.43 0.00 0.00 -0.46 -2.53 119.26 117.59 2j5r h ALA 36 Ca -0.00 -0.63 -0.02 0.00 0.00 0.00 0.00 54.91 54.26 2j5r h ALA 36 Cb 1.33 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 2j5r h ALA 36 CO 0.06 0.67 0.20 0.78 0.00 0.00 0.00 179.25 180.96 2j5r h GLY 37 N 0.47 0.67 0.95 0.00 0.00 -1.19 -0.03 103.07 103.95 2j5r h GLY 37 Ca -0.08 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 46.90 2j5r h GLY 37 CO 0.17 0.32 -0.17 -1.82 0.00 0.00 0.00 176.54 175.04 2j5r h TYR 38 N 0.56 -0.44 -0.91 5.60 3.20 -1.50 -2.13 116.97 121.35 2j5r h TYR 38 Ca 0.15 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.14 2j5r h TYR 38 Cb 0.13 0.15 -0.07 0.00 1.54 0.00 0.00 36.73 38.47 2j5r h TYR 38 CO -0.01 -0.24 0.58 -0.91 -1.64 0.00 0.00 178.16 175.95 2j5r h ASN 39 N -0.53 0.71 -0.39 -2.11 2.35 -1.36 0.07 115.58 114.32 2j5r h ASN 39 Ca -0.05 0.04 -0.06 0.00 -0.55 0.00 0.00 56.30 55.68 2j5r h ASN 39 Cb 0.40 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 2j5r h ASN 39 CO 0.08 0.37 0.01 0.40 -1.65 0.00 0.00 177.43 176.64 2j5r h ILE 40 N 0.76 1.26 -0.07 2.81 2.04 -0.74 -3.15 117.51 120.42 2j5r h ILE 40 Ca 0.45 -0.98 -0.18 0.00 1.00 0.00 0.00 64.86 65.15 2j5r h ILE 40 Cb 0.64 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 2j5r h ILE 40 CO -0.21 0.33 -0.71 0.00 0.00 0.00 0.00 178.15 177.56 2j5r h ALA 41 N 0.89 0.63 -0.41 1.87 0.00 -0.91 -3.09 119.26 118.24 2j5r h ALA 41 Ca 0.11 -0.60 0.07 0.00 0.00 0.00 0.00 54.91 54.49 2j5r h ALA 41 Cb 0.46 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2j5r h ALA 41 CO 0.02 0.77 0.28 1.25 0.00 0.00 0.00 179.25 181.57 2j5r h LEU 42 N 0.25 0.22 0.00 0.00 5.85 -0.96 -2.09 115.31 118.59 2j5r h LEU 42 Ca -0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2j5r h LEU 42 Cb 1.28 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.26 2j5r h LEU 42 CO 0.12 0.14 0.00 0.54 -0.34 0.00 0.00 178.44 178.90 2j5r n ARG 43 N -4.47 0.11 -3.82 1.25 5.12 -1.17 -4.66 116.66 109.02 2j5r n ARG 43 Ca 0.06 0.15 -0.26 0.00 -1.93 0.00 0.00 57.85 55.87 2j5r n ARG 43 Cb 0.30 -1.50 0.01 0.00 -1.16 0.00 0.00 32.46 30.11 2j5r n ARG 43 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 2j5r n ASP 44 N -1.41 -1.68 -0.00 0.55 2.03 -0.78 -4.89 116.55 110.36 2j5r n ASP 44 Ca 0.06 -0.96 0.04 0.00 0.52 0.00 0.00 54.79 54.45 2j5r n ASP 44 Cb 0.19 -3.38 -0.06 0.00 -0.72 0.00 0.00 41.12 37.15 2j5r n ASP 44 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 2j5r n ILE 45 N -4.31 0.00 -4.51 5.18 -5.35 -1.26 -4.96 119.36 104.15 2j5r n ILE 45 Ca -0.26 -0.24 -0.25 0.00 -0.27 0.00 0.00 62.75 61.73 2j5r n ILE 45 Cb 0.66 0.60 -0.14 0.00 -1.74 0.00 0.00 39.64 39.03 2j5r n ILE 45 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2j5r s ALA 46 N -2.27 1.77 0.18 -1.28 0.00 -1.26 -4.95 121.76 113.95 2j5r s ALA 46 Ca -0.00 -1.12 -0.02 0.00 0.00 0.00 0.00 51.96 50.81 2j5r s ALA 46 Cb 0.06 -0.31 0.08 0.00 0.00 0.00 0.00 23.12 22.95 2j5r s ALA 46 CO 0.37 0.38 1.46 -0.44 0.00 0.00 0.00 175.76 177.52 2j5r h ASP 47 N 4.59 0.53 -4.49 0.00 3.32 -1.40 -3.37 116.42 115.59 2j5r h ASP 47 Ca -0.44 -0.32 -0.17 0.00 0.02 0.00 0.00 57.03 56.12 2j5r h ASP 47 Cb 1.17 -0.16 -0.23 0.00 0.22 0.00 0.00 39.33 40.33 2j5r h ASP 47 CO 0.42 1.05 -0.58 -1.61 -1.72 0.00 0.00 179.24 176.81 2j5r s GLU 48 N -3.75 0.30 -0.09 3.56 2.02 -0.68 -1.41 118.70 118.65 2j5r s GLU 48 Ca -0.06 -0.22 -0.00 0.00 0.02 0.00 0.00 54.97 54.70 2j5r s GLU 48 Cb 0.11 0.13 0.02 0.00 0.10 0.00 0.00 34.13 34.49 2j5r s GLU 48 CO 0.84 -0.06 -0.05 0.08 0.02 0.00 0.00 175.26 176.09 2j5r s VAL 49 N -0.82 0.77 -0.18 2.63 1.01 -0.42 -1.52 120.40 121.88 2j5r s VAL 49 Ca -0.09 -0.16 -0.07 0.00 0.00 0.00 0.00 61.98 61.65 2j5r s VAL 49 Cb -0.05 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 2j5r s VAL 49 CO 0.00 0.31 0.07 -0.69 0.00 0.00 0.00 175.10 174.80 2j5r s VAL 50 N 1.55 4.88 -0.22 2.92 1.01 -0.09 -2.41 120.40 128.05 2j5r s VAL 50 Ca 0.00 -0.00 -0.13 0.00 0.00 0.00 0.00 61.98 61.86 2j5r s VAL 50 Cb -0.13 -3.19 -0.05 0.00 0.00 0.00 0.00 36.38 33.01 2j5r s VAL 50 CO -0.05 0.48 0.25 -0.36 0.00 0.00 0.00 175.10 175.42 2j5r s PHE 51 N 0.22 3.36 0.01 5.22 0.40 -0.56 -0.08 117.98 126.55 2j5r s PHE 51 Ca 0.05 0.40 0.04 0.00 -0.60 0.00 0.00 56.93 56.83 2j5r s PHE 51 Cb -0.12 -2.36 -0.02 0.00 0.51 0.00 0.00 43.02 41.04 2j5r s PHE 51 CO 0.00 0.07 -0.14 0.08 0.70 0.00 0.00 175.22 175.94 2j5r s VAL 52 N 1.03 1.09 0.17 -0.44 1.01 0.13 -1.29 120.40 122.10 2j5r s VAL 52 Ca 0.12 -0.77 -0.11 0.00 0.00 0.00 0.00 61.98 61.22 2j5r s VAL 52 Cb -0.14 -0.94 0.04 0.00 0.00 0.00 0.00 36.38 35.34 2j5r s VAL 52 CO 0.05 0.17 0.56 -0.67 0.00 0.00 0.00 175.10 175.20 2j5r n ASP 53 N 2.36 -1.21 -4.78 3.32 -0.08 -1.26 -0.10 116.55 114.81 2j5r n ASP 53 Ca -0.16 -1.74 -0.37 0.00 -1.51 0.00 0.00 54.79 51.02 2j5r n ASP 53 Cb 0.55 1.99 -0.03 0.00 2.34 0.00 0.00 41.12 45.97 2j5r n ASP 53 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 2j5r s ILE 54 N -2.35 3.43 0.38 5.18 -4.36 -1.26 -4.88 121.20 117.34 2j5r s ILE 54 Ca 0.12 1.09 0.23 0.00 -0.26 0.00 0.00 60.65 61.82 2j5r s ILE 54 Cb -0.02 -3.56 0.38 0.00 1.25 0.00 0.00 42.46 40.51 2j5r s ILE 54 CO 0.05 -0.00 1.59 -0.65 0.24 0.00 0.00 174.94 176.17 2j5r h PRO 54 N 2.30 0.04 0.00 0.37 0.11 -2.01 1.04 132.00 133.86 2j5r h PRO 54 Ca -0.49 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 2j5r h PRO 54 Cb 1.23 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 2j5r h PRO 54 CO 0.61 0.03 -0.18 0.22 -0.21 0.00 0.00 178.00 178.48 2j5r h ASP 54 N 0.05 0.00 -0.57 -2.05 3.58 -2.07 -2.84 116.42 112.51 2j5r h ASP 54 Ca 0.84 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.29 2j5r h ASP 54 Cb 2.31 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.36 2j5r h ASP 54 CO -0.67 0.18 0.00 0.29 -2.88 0.00 0.00 179.24 176.15 2j5r n LYS 55 N -3.56 3.93 -0.01 0.28 5.02 0.36 -4.67 118.16 119.52 2j5r n LYS 55 Ca -0.01 -2.92 -0.09 0.00 -2.02 0.00 0.00 58.31 53.27 2j5r n LYS 55 Cb 0.32 -1.96 -0.03 0.00 -0.02 0.00 0.00 35.03 33.34 2j5r n LYS 55 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 2j5r h GLU 56 N 3.72 -0.17 -0.28 1.97 4.81 -1.37 -1.77 114.58 121.49 2j5r h GLU 56 Ca 0.00 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.31 2j5r h GLU 56 Cb 1.56 0.04 -0.07 0.00 0.63 0.00 0.00 28.75 30.91 2j5r h GLU 56 CO 0.29 -0.11 -0.23 -0.44 -0.73 0.00 0.00 179.01 177.79 2j5r h ASP 57 N -0.18 -0.74 -0.27 1.04 5.19 -1.85 0.10 116.42 119.72 2j5r h ASP 57 Ca 0.10 0.14 0.05 0.00 -0.62 0.00 0.00 57.03 56.70 2j5r h ASP 57 Cb 0.32 0.36 -0.05 0.00 0.18 0.00 0.00 39.33 40.14 2j5r h ASP 57 CO -0.25 -0.26 -0.05 0.44 -3.12 0.00 0.00 179.24 176.00 2j5r h ASP 58 N -0.21 -0.21 -0.34 6.45 3.32 -1.84 0.36 116.42 123.95 2j5r h ASP 58 Ca 0.15 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.28 2j5r h ASP 58 Cb 0.44 0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 2j5r h ASP 58 CO -0.41 -0.07 0.22 0.74 -1.72 0.00 0.00 179.24 178.01 2j5r h THR 59 N 0.03 1.09 -0.61 0.35 2.02 -0.74 0.60 112.91 115.64 2j5r h THR 59 Ca 0.13 -0.18 0.12 0.00 0.77 0.00 0.00 66.41 67.25 2j5r h THR 59 Cb 0.19 0.60 -0.09 0.00 -1.74 0.00 0.00 68.15 67.11 2j5r h THR 59 CO -0.26 0.09 0.11 0.58 0.37 0.00 0.00 175.52 176.41 2j5r h VAL 60 N 0.46 0.60 -0.26 3.16 2.07 -0.25 0.72 116.25 122.75 2j5r h VAL 60 Ca 0.12 -0.08 -0.05 0.00 0.82 0.00 0.00 66.70 67.52 2j5r h VAL 60 Cb -0.04 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 2j5r h VAL 60 CO -0.03 0.04 -0.01 1.23 0.02 0.00 0.00 177.57 178.82 2j5r h GLY 61 N 0.23 0.51 0.85 2.17 0.00 -0.05 -1.93 103.07 104.85 2j5r h GLY 61 Ca 0.32 -0.39 0.03 0.00 0.00 0.00 0.00 47.33 47.30 2j5r h GLY 61 CO -0.44 0.36 0.36 1.46 0.00 0.00 0.00 176.54 178.28 2j5r h GLN 62 N 0.25 0.69 -0.43 4.80 1.08 0.15 -0.71 115.11 120.94 2j5r h GLN 62 Ca 0.07 -0.04 0.01 0.00 -1.45 0.00 0.00 58.65 57.24 2j5r h GLN 62 Cb 0.45 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.70 2j5r h GLN 62 CO 0.02 0.46 0.28 0.00 -0.95 0.00 0.00 178.83 178.63 2j5r h ALA 63 N 1.27 0.55 -0.51 3.87 0.00 0.63 -1.26 119.26 123.80 2j5r h ALA 63 Ca 0.24 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 2j5r h ALA 63 Cb 0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2j5r h ALA 63 CO -0.11 -0.02 0.14 0.00 0.00 0.00 0.00 179.25 179.26 2j5r h ALA 64 N 1.17 0.67 -0.43 0.00 0.00 -0.92 -1.65 119.26 118.10 2j5r h ALA 64 Ca 0.16 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2j5r h ALA 64 Cb -0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2j5r h ALA 64 CO -0.05 0.35 0.16 0.22 0.00 0.00 0.00 179.25 179.93 2j5r h ASP 65 N 0.71 0.56 -0.51 0.00 3.58 -0.96 -0.99 116.42 118.80 2j5r h ASP 65 Ca 0.16 -0.06 -0.10 0.00 0.42 0.00 0.00 57.03 57.45 2j5r h ASP 65 Cb 0.31 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.20 2j5r h ASP 65 CO -0.00 0.51 -0.08 0.74 -2.88 0.00 0.00 179.24 177.53 2j5r h THR 66 N 0.61 1.27 -0.70 2.25 2.02 -0.89 -0.88 112.91 116.60 2j5r h THR 66 Ca 0.15 -1.22 -0.02 0.00 0.77 0.00 0.00 66.41 66.09 2j5r h THR 66 Cb 0.14 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 2j5r h THR 66 CO -0.01 0.43 0.34 0.78 0.37 0.00 0.00 175.52 177.43 2j5r h ASN 67 N 0.83 0.90 -0.48 4.18 2.35 -0.40 -2.51 115.58 120.46 2j5r h ASN 67 Ca 0.14 -0.13 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 2j5r h ASN 67 Cb 0.63 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.75 2j5r h ASN 67 CO 0.04 0.78 0.13 0.45 -1.65 0.00 0.00 177.43 177.17 2j5r h HIS 68 N 0.97 0.80 -0.23 1.19 3.86 -1.00 -2.73 115.15 118.01 2j5r h HIS 68 Ca 0.24 -0.09 -0.01 0.00 -1.16 0.00 0.00 60.37 59.35 2j5r h HIS 68 Cb 0.10 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.34 2j5r h HIS 68 CO 0.00 0.72 0.11 0.78 0.86 0.00 0.00 177.93 180.40 2j5r h GLY 69 N 0.65 0.33 -2.04 2.45 0.00 -0.88 -3.02 103.07 100.56 2j5r h GLY 69 Ca 0.15 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.35 2j5r h GLY 69 CO 0.00 0.13 0.00 0.29 0.00 0.00 0.00 176.54 176.96 2j5r n ILE 70 N -4.46 0.56 -0.33 2.60 -5.35 -0.97 -4.67 119.36 106.75 2j5r n ILE 70 Ca 0.00 -0.78 0.16 0.00 -0.27 0.00 0.00 62.75 61.87 2j5r n ILE 70 Cb 0.11 0.90 0.40 0.00 -1.74 0.00 0.00 39.64 39.31 2j5r n ILE 70 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2j5r h ALA 71 N 3.85 1.88 -0.01 -1.28 0.00 -1.35 0.14 119.26 122.49 2j5r h ALA 71 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2j5r h ALA 71 Cb 0.89 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2j5r h ALA 71 CO 0.00 -0.26 -0.19 0.66 0.00 0.00 0.00 179.25 179.46 2j5r n TYR 72 N -4.72 0.00 0.00 0.00 4.02 -1.26 -4.54 117.16 110.66 2j5r n TYR 72 Ca 0.24 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.13 2j5r n TYR 72 Cb 0.68 -0.09 0.00 0.00 -0.02 0.00 0.00 39.34 39.91 2j5r n TYR 72 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 2j5r n ASP 73 N -0.39 2.65 -3.99 7.72 8.00 -0.11 -5.11 116.55 125.33 2j5r n ASP 73 Ca 0.14 -0.02 -0.09 0.00 0.71 0.00 0.00 54.79 55.53 2j5r n ASP 73 Cb 0.36 0.57 -0.11 0.00 -0.02 0.00 0.00 41.12 41.92 2j5r n ASP 73 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2j5r s SER 74 N -1.10 0.26 0.00 -2.24 0.15 0.30 -4.81 113.70 106.25 2j5r s SER 74 Ca 0.00 -0.56 0.25 0.00 0.70 0.00 0.00 55.95 56.34 2j5r s SER 74 Cb 0.00 0.13 0.50 0.00 -1.71 0.00 0.00 66.02 64.94 2j5r s SER 74 CO 0.00 -0.36 1.41 0.59 1.20 0.00 0.00 173.24 176.08 2j5r n ASN 75 N 1.33 1.29 -4.66 5.45 3.02 -1.26 -4.67 115.26 115.76 2j5r n ASN 75 Ca -0.22 -1.04 -0.46 0.00 -0.03 0.00 0.00 54.58 52.82 2j5r n ASN 75 Cb 0.56 0.26 -0.04 0.00 -0.61 0.00 0.00 39.78 39.96 2j5r n ASN 75 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2j5r n THR 76 N -0.54 0.38 -3.75 3.41 -1.04 -1.26 -4.96 114.28 106.53 2j5r n THR 76 Ca 0.11 -0.09 -0.36 0.00 -2.04 0.00 0.00 64.05 61.66 2j5r n THR 76 Cb 0.38 -1.43 -0.10 0.00 -1.82 0.00 0.00 70.33 67.36 2j5r n THR 76 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2j5r s ARG 77 N 0.34 3.99 -0.07 -2.82 0.52 -0.50 -4.97 118.95 115.44 2j5r s ARG 77 Ca 0.75 -0.31 0.00 0.00 -0.52 0.00 0.00 55.73 55.65 2j5r s ARG 77 Cb -0.70 -3.45 -0.03 0.00 0.52 0.00 0.00 34.95 31.30 2j5r s ARG 77 CO 0.43 0.07 -0.06 0.08 0.02 0.00 0.00 175.30 175.84 2j5r s VAL 78 N 1.00 3.74 0.01 3.52 1.01 -1.26 -1.30 120.40 127.13 2j5r s VAL 78 Ca 0.06 -0.46 -0.26 0.00 0.00 0.00 0.00 61.98 61.32 2j5r s VAL 78 Cb -0.14 -2.54 0.06 0.00 0.00 0.00 0.00 36.38 33.77 2j5r s VAL 78 CO 0.04 0.59 0.60 0.00 0.00 0.00 0.00 175.10 176.33 2j5r s ARG 79 N -0.75 1.06 0.43 2.72 1.70 -1.01 -4.85 118.95 118.25 2j5r s ARG 79 Ca 0.11 -0.02 -0.15 0.00 -0.47 0.00 0.00 55.73 55.20 2j5r s ARG 79 Cb -0.11 0.49 -0.08 0.00 -0.57 0.00 0.00 34.95 34.68 2j5r s ARG 79 CO 0.02 -0.37 0.87 -1.14 -1.08 0.00 0.00 175.30 173.60 2j5r s GLN 80 N -1.94 3.95 0.10 3.89 -0.44 -1.26 -1.50 119.66 122.45 2j5r s GLN 80 Ca -0.08 0.78 -0.27 0.00 -2.50 0.00 0.00 55.36 53.30 2j5r s GLN 80 Cb -0.01 -2.27 0.08 0.00 -1.64 0.00 0.00 33.01 29.17 2j5r s GLN 80 CO 0.03 -0.08 1.02 0.20 0.50 0.00 0.00 175.29 176.95 2j5r s GLY 81 N -2.81 -0.29 0.00 2.59 0.00 -0.41 -4.83 107.32 101.56 2j5r s GLY 81 Ca 0.56 0.36 0.00 0.00 0.00 0.00 0.00 44.72 45.65 2j5r s GLY 81 CO 0.26 0.07 0.00 0.61 0.00 0.00 0.00 173.10 174.04 2j5r n GLY 84 N -0.44 0.35 0.17 0.20 0.00 -1.26 -4.34 105.19 99.86 2j5r n GLY 84 Ca -0.07 -1.83 0.05 0.00 0.00 0.00 0.00 46.02 44.17 2j5r n GLY 84 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2j5r h TYR 85 N -0.19 0.00 0.00 1.61 0.05 -1.96 -2.93 116.97 113.55 2j5r h TYR 85 Ca 0.00 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.69 2j5r h TYR 85 Cb 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 2j5r h TYR 85 CO 0.00 0.42 -0.42 1.05 -1.05 0.00 0.00 178.16 178.16 2j5r h GLU 86 N 0.00 0.00 0.00 4.88 9.09 -1.94 -2.26 114.58 124.36 2j5r h GLU 86 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2j5r h GLU 86 Cb 1.13 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.23 2j5r h GLU 86 CO 0.05 0.42 0.00 -0.25 0.05 0.00 0.00 179.01 179.28 2j5r n ASP 87 N -3.75 0.26 -0.59 3.06 9.92 -1.11 -2.39 116.55 121.96 2j5r n ASP 87 Ca -0.01 0.57 0.08 0.00 -0.53 0.00 0.00 54.79 54.90 2j5r n ASP 87 Cb 0.49 -0.62 0.27 0.00 -0.64 0.00 0.00 41.12 40.62 2j5r n ASP 87 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 2j5r n THR 88 N -1.79 0.33 -1.85 -3.53 -2.24 -0.85 -4.94 114.28 99.41 2j5r n THR 88 Ca 0.03 -0.40 -0.42 0.00 -2.27 0.00 0.00 64.05 60.99 2j5r n THR 88 Cb 0.18 0.29 -0.02 0.00 -2.10 0.00 0.00 70.33 68.68 2j5r n THR 88 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2j5r s ALA 89 N -1.67 3.77 0.00 6.98 0.00 -1.01 -2.31 121.76 127.52 2j5r s ALA 89 Ca 0.28 1.49 0.00 0.00 0.00 0.00 0.00 51.96 53.72 2j5r s ALA 89 Cb 0.15 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.63 2j5r s ALA 89 CO 0.21 -0.88 0.00 0.41 0.00 0.00 0.00 175.76 175.50 2j5r n GLY 90 N 2.83 0.56 3.77 0.00 0.00 -1.25 -5.01 105.19 106.09 2j5r n GLY 90 Ca 0.10 -0.35 -0.39 0.00 0.00 0.00 0.00 46.02 45.38 2j5r n GLY 90 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2j5r s SER 91 N -2.32 6.75 -0.18 1.61 0.01 -0.98 -4.44 113.70 114.15 2j5r s SER 91 Ca 0.00 2.43 -0.11 0.00 1.31 0.00 0.00 55.95 59.58 2j5r s SER 91 Cb 0.00 -2.63 -0.21 0.00 0.21 0.00 0.00 66.02 63.39 2j5r s SER 91 CO 0.00 -0.53 0.15 0.47 0.41 0.00 0.00 173.24 173.75 2j5r n ASP 92 N 0.51 2.01 -3.99 2.44 8.00 0.13 -4.77 116.55 120.88 2j5r n ASP 92 Ca 0.02 0.24 -0.18 0.00 0.71 0.00 0.00 54.79 55.57 2j5r n ASP 92 Cb 0.45 -0.83 -0.15 0.00 -0.02 0.00 0.00 41.12 40.57 2j5r n ASP 92 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2j5r s VAL 93 N -2.49 0.63 -0.12 2.53 1.01 -1.21 -1.83 120.40 118.92 2j5r s VAL 93 Ca -0.28 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 61.39 2j5r s VAL 93 Cb 0.08 -0.54 0.02 0.00 0.00 0.00 0.00 36.38 35.93 2j5r s VAL 93 CO 0.66 0.19 -0.15 -0.69 0.00 0.00 0.00 175.10 175.11 2j5r s VAL 94 N -0.05 1.51 -0.23 2.92 1.01 0.19 -1.53 120.40 124.22 2j5r s VAL 94 Ca 0.01 -0.63 -0.14 0.00 0.00 0.00 0.00 61.98 61.22 2j5r s VAL 94 Cb -0.05 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 2j5r s VAL 94 CO -0.00 0.44 0.33 -0.69 0.00 0.00 0.00 175.10 175.19 2j5r s VAL 95 N 1.17 5.23 -0.20 2.92 1.01 0.59 -0.64 120.40 130.47 2j5r s VAL 95 Ca -0.03 0.54 -0.03 0.00 0.00 0.00 0.00 61.98 62.46 2j5r s VAL 95 Cb -0.14 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.56 2j5r s VAL 95 CO -0.05 0.24 -0.06 -0.63 0.00 0.00 0.00 175.10 174.60 2j5r s ILE 96 N 1.51 3.32 0.00 2.22 1.01 -0.06 -0.44 121.20 128.75 2j5r s ILE 96 Ca 0.15 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.28 2j5r s ILE 96 Cb -0.15 -2.49 0.00 0.00 0.01 0.00 0.00 42.46 39.84 2j5r s ILE 96 CO 0.08 0.45 0.18 0.35 0.00 0.00 0.00 174.94 175.99 2j5r n THR 97 N 4.49 0.00 -1.33 2.92 -2.24 -0.48 0.13 114.28 117.77 2j5r n THR 97 Ca -0.18 -0.23 -0.32 0.00 -2.27 0.00 0.00 64.05 61.04 2j5r n THR 97 Cb 0.51 1.40 0.09 0.00 -2.10 0.00 0.00 70.33 70.23 2j5r n THR 97 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2j5r s ALA 98 N -0.12 2.14 0.00 6.98 0.00 -1.19 -4.48 121.76 125.09 2j5r s ALA 98 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.49 2j5r s ALA 98 Cb 0.00 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.76 2j5r s ALA 98 CO 0.00 -1.84 0.00 0.41 0.00 0.00 0.00 175.76 174.33 2j5r n GLY 99 N -0.44 3.28 3.70 0.00 0.00 -1.26 -4.62 105.19 105.84 2j5r n GLY 99 Ca 0.11 -0.87 -0.39 0.00 0.00 0.00 0.00 46.02 44.87 2j5r n GLY 99 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2j5r s ILE 100 N -2.00 5.11 0.57 -0.61 -4.36 -1.26 -5.06 121.20 113.59 2j5r s ILE 100 Ca 0.00 1.11 -0.18 0.00 -0.26 0.00 0.00 60.65 61.31 2j5r s ILE 100 Cb 0.00 -3.90 -0.05 0.00 1.25 0.00 0.00 42.46 39.77 2j5r s ILE 100 CO 0.00 0.24 1.12 -2.16 0.24 0.00 0.00 174.94 174.38 2j5r s PRO 101 N 1.12 3.25 -0.06 0.37 0.04 -1.26 -4.95 135.00 133.51 2j5r s PRO 101 Ca 0.29 1.55 -0.30 0.00 0.04 0.00 0.00 61.00 62.58 2j5r s PRO 101 Cb -0.16 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 32.33 2j5r s PRO 101 CO 0.12 -0.92 1.74 0.50 0.04 0.00 0.00 177.00 178.48 2j5r s ARG 102 N -3.47 4.09 0.00 4.56 3.52 -1.26 -5.01 118.95 121.38 2j5r s ARG 102 Ca 0.71 2.22 0.00 0.00 -0.13 0.00 0.00 55.73 58.53 2j5r s ARG 102 Cb -0.23 -4.04 0.00 0.00 -1.56 0.00 0.00 34.95 29.12 2j5r s ARG 102 CO 0.30 -0.97 0.00 0.00 -0.81 0.00 0.00 175.30 173.82 2j5r n GLN 103 N 7.34 0.00 -5.02 5.12 0.00 -1.26 -5.00 117.38 118.56 2j5r n GLN 103 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 57.00 56.91 2j5r n GLN 103 Cb 0.43 0.00 -0.16 0.00 0.00 0.00 0.00 30.24 30.51 2j5r n GLN 103 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 2j5r s PRO 105 N 0.00 1.80 0.00 2.61 0.04 -1.26 -3.16 135.00 135.03 2j5r s PRO 105 Ca 0.00 -0.74 0.00 0.00 0.04 0.00 0.00 61.00 60.30 2j5r s PRO 105 Cb 0.00 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 32.86 2j5r s PRO 105 CO 0.00 0.40 0.00 0.41 0.04 0.00 0.00 177.00 177.85 2j5r n GLY 106 N 2.71 0.84 3.67 0.56 0.00 -1.26 -5.02 105.19 106.69 2j5r n GLY 106 Ca -0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 2j5r n GLY 106 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2j5r s GLN 107 N -0.25 4.10 0.86 1.61 0.74 -1.19 -5.08 119.66 120.45 2j5r s GLN 107 Ca 0.00 -0.19 -0.10 0.00 0.05 0.00 0.00 55.36 55.11 2j5r s GLN 107 Cb 0.00 -3.52 0.11 0.00 1.10 0.00 0.00 33.01 30.70 2j5r s GLN 107 CO 0.00 0.08 1.11 0.95 -0.55 0.00 0.00 175.29 176.88 2j5r s THR 108 N 1.00 2.67 0.04 -0.34 -4.23 -1.26 -4.86 115.64 108.66 2j5r s THR 108 Ca 0.09 0.22 -0.24 0.00 -1.18 0.00 0.00 61.69 60.58 2j5r s THR 108 Cb -0.13 -2.48 -0.17 0.00 1.34 0.00 0.00 72.50 71.05 2j5r s THR 108 CO 0.04 -0.29 1.50 -0.09 -0.54 0.00 0.00 174.62 175.25 2j5r h ARG 109 N -1.54 0.03 -0.12 3.99 2.43 -2.00 -2.02 114.38 115.15 2j5r h ARG 109 Ca -0.44 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 58.75 2j5r h ARG 109 Cb 1.25 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.80 2j5r h ARG 109 CO 0.47 0.27 0.13 -0.84 -1.51 0.00 0.00 179.97 178.49 2j5r h ILE 110 N -0.22 0.50 0.02 1.20 3.07 -1.99 -0.24 117.51 119.84 2j5r h ILE 110 Ca 0.00 0.00 -0.25 0.00 1.55 0.00 0.00 64.86 66.17 2j5r h ILE 110 Cb 0.25 0.89 0.01 0.00 -0.27 0.00 0.00 36.82 37.71 2j5r h ILE 110 CO 0.00 0.00 -1.02 -0.78 -1.05 0.00 0.00 178.15 175.30 2j5r h ASP 111 N 0.00 0.65 -0.65 2.16 3.58 -1.77 -1.84 116.42 118.55 2j5r h ASP 111 Ca 0.06 -0.54 -0.04 0.00 0.42 0.00 0.00 57.03 56.93 2j5r h ASP 111 Cb 0.32 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 41.14 2j5r h ASP 111 CO -0.00 1.34 0.27 0.25 -2.88 0.00 0.00 179.24 178.22 2j5r h LEU 112 N 0.26 0.91 -0.91 2.28 5.85 -0.39 -1.59 115.31 121.72 2j5r h LEU 112 Ca -0.11 -0.13 -0.10 0.00 0.84 0.00 0.00 57.88 58.39 2j5r h LEU 112 Cb 1.66 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.45 2j5r h LEU 112 CO 0.18 0.81 -0.26 0.00 -0.34 0.00 0.00 178.44 178.83 2j5r h ALA 113 N 1.32 1.08 -0.29 1.25 0.00 -1.21 -1.90 119.26 119.51 2j5r h ALA 113 Ca 0.23 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 2j5r h ALA 113 Cb 0.18 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2j5r h ALA 113 CO -0.02 0.57 -0.27 0.78 0.00 0.00 0.00 179.25 180.31 2j5r h GLY 114 N 1.02 0.63 1.09 0.00 0.00 -0.62 -0.90 103.07 104.29 2j5r h GLY 114 Ca 0.06 -0.54 -0.15 0.00 0.00 0.00 0.00 47.33 46.70 2j5r h GLY 114 CO 0.05 0.49 -0.36 -0.55 0.00 0.00 0.00 176.54 176.18 2j5r h ASP 115 N 0.50 0.95 1.11 0.19 3.32 -0.89 -3.28 116.42 118.32 2j5r h ASP 115 Ca 0.07 -0.46 0.00 0.00 0.02 0.00 0.00 57.03 56.65 2j5r h ASP 115 Cb 0.73 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.01 2j5r h ASP 115 CO 0.06 1.22 -0.46 0.78 -1.72 0.00 0.00 179.24 179.11 2j5r h ASN 116 N 0.69 0.00 -0.59 6.45 2.35 -1.29 -3.35 115.58 119.84 2j5r h ASN 116 Ca 0.06 -0.13 0.09 0.00 -0.55 0.00 0.00 56.30 55.78 2j5r h ASN 116 Cb 0.95 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 39.25 2j5r h ASN 116 CO 0.09 0.06 0.21 0.00 -1.65 0.00 0.00 177.43 176.14 2j5r h ALA 117 N 2.43 0.75 -0.14 -0.83 0.00 -1.22 -1.12 119.26 119.13 2j5r h ALA 117 Ca 0.00 0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 2j5r h ALA 117 Cb 0.79 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2j5r h ALA 117 CO 0.00 -0.21 -0.43 -1.00 0.00 0.00 0.00 179.25 177.61 2j5r h PRO 118 N 0.38 0.34 -0.89 0.00 0.13 -1.75 -2.81 132.00 127.40 2j5r h PRO 118 Ca 0.30 -0.17 -0.01 0.00 -0.87 0.00 0.00 66.00 65.25 2j5r h PRO 118 Cb 0.37 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.46 2j5r h PRO 118 CO -0.31 0.71 0.53 0.82 -0.23 0.00 0.00 178.00 179.52 2j5r h ILE 119 N 0.28 1.24 -0.18 -3.56 2.04 -1.41 -2.26 117.51 113.66 2j5r h ILE 119 Ca 0.02 -0.54 -0.04 0.00 1.00 0.00 0.00 64.86 65.30 2j5r h ILE 119 Cb 0.87 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 2j5r h ILE 119 CO 0.07 0.26 -0.06 0.24 0.00 0.00 0.00 178.15 178.66 2j5r h MET 120 N 1.22 0.36 -0.58 2.37 2.86 -1.29 -1.74 114.93 118.11 2j5r h MET 120 Ca 0.32 -0.14 0.12 0.00 -2.06 0.00 0.00 59.70 57.93 2j5r h MET 120 Cb -0.05 -0.02 -0.11 0.00 0.06 0.00 0.00 31.60 31.48 2j5r h MET 120 CO -0.06 0.64 -0.18 0.93 1.06 0.00 0.00 176.91 179.30 2j5r h GLU 121 N 0.06 -0.03 -0.49 1.72 5.08 -1.23 0.51 114.58 120.20 2j5r h GLU 121 Ca 0.04 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 2j5r h GLU 121 Cb 0.52 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 2j5r h GLU 121 CO 0.02 -0.02 0.18 0.22 -1.00 0.00 0.00 179.01 178.41 2j5r h ASP 122 N -0.03 0.69 0.08 1.42 -0.00 -1.30 0.23 116.42 117.52 2j5r h ASP 122 Ca 0.28 -0.18 0.00 0.00 -0.00 0.00 0.00 57.03 57.12 2j5r h ASP 122 Cb 0.46 -0.18 -0.00 0.00 -0.00 0.00 0.00 39.33 39.60 2j5r h ASP 122 CO -0.62 0.69 -0.06 0.40 -0.00 0.00 0.00 179.24 179.65 2j5r h ILE 123 N 0.66 0.87 -0.94 2.25 2.04 -0.25 0.19 117.51 122.32 2j5r h ILE 123 Ca 0.16 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.10 2j5r h ILE 123 Cb 0.23 0.87 -0.06 0.00 -0.74 0.00 0.00 36.82 37.11 2j5r h ILE 123 CO -0.01 0.00 0.61 -0.61 0.00 0.00 0.00 178.15 178.14 2j5r h GLN 124 N -0.14 1.01 -0.65 2.37 4.15 0.24 0.13 115.11 122.22 2j5r h GLN 124 Ca -0.00 -0.06 -0.06 0.00 0.77 0.00 0.00 58.65 59.29 2j5r h GLN 124 Cb 0.13 -0.23 -0.03 0.00 0.21 0.00 0.00 27.48 27.56 2j5r h GLN 124 CO -0.01 0.67 0.16 1.03 -1.93 0.00 0.00 178.83 178.75 2j5r h SER 125 N 1.04 1.00 -0.43 -0.69 0.87 0.17 0.10 113.55 115.61 2j5r h SER 125 Ca 0.42 -0.24 -0.08 0.00 -1.23 0.00 0.00 61.79 60.66 2j5r h SER 125 Cb 0.25 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 2j5r h SER 125 CO -0.17 0.97 -0.03 0.28 -0.53 0.00 0.00 176.83 177.36 2j5r h SER 126 N 0.97 0.76 -0.29 6.23 0.02 0.11 -2.81 113.55 118.55 2j5r h SER 126 Ca 0.20 -0.32 -0.13 0.00 -0.84 0.00 0.00 61.79 60.70 2j5r h SER 126 Cb 0.37 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 2j5r h SER 126 CO 0.00 0.90 -0.28 -0.07 -1.14 0.00 0.00 176.83 176.25 2j5r h LEU 127 N 0.61 0.83 -1.94 5.07 3.38 -0.91 -3.11 115.31 119.24 2j5r h LEU 127 Ca 0.12 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 2j5r h LEU 127 Cb 0.53 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 2j5r h LEU 127 CO 0.03 1.06 -0.04 0.44 0.09 0.00 0.00 178.44 180.01 2j5r h ASP 128 N 0.68 0.00 -0.02 -0.43 3.32 -0.83 -0.60 116.42 118.54 2j5r h ASP 128 Ca 0.08 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.08 2j5r h ASP 128 Cb 0.82 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.35 2j5r h ASP 128 CO 0.07 0.04 -0.11 -0.08 -1.72 0.00 0.00 179.24 177.44 2j5r h GLU 129 N 0.00 0.28 -0.15 3.56 4.81 -1.42 -3.17 114.58 118.49 2j5r h GLU 129 Ca -0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2j5r h GLU 129 Cb 0.08 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.42 2j5r h GLU 129 CO 0.01 0.40 0.00 0.72 -0.73 0.00 0.00 179.01 179.40 2j5r n HIS 130 N -4.28 0.20 -4.01 0.92 8.25 -0.66 -5.15 115.22 110.49 2j5r n HIS 130 Ca -0.00 -0.27 -0.01 0.00 -0.26 0.00 0.00 57.72 57.18 2j5r n HIS 130 Cb 0.26 -0.02 -0.00 0.00 1.12 0.00 0.00 29.99 31.35 2j5r n HIS 130 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2j5r n ASN 131 N 0.39 0.16 -4.86 0.41 3.02 -0.32 -3.93 115.26 110.12 2j5r n ASN 131 Ca 0.07 -1.08 -0.31 0.00 -0.03 0.00 0.00 54.58 53.23 2j5r n ASN 131 Cb 0.31 0.06 -0.03 0.00 -0.61 0.00 0.00 39.78 39.51 2j5r n ASN 131 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 2j5r s ASP 132 N -1.09 6.53 0.20 6.41 -4.77 -1.26 -4.62 116.67 118.08 2j5r s ASP 132 Ca 0.01 1.32 -0.23 0.00 -3.30 0.00 0.00 52.55 50.35 2j5r s ASP 132 Cb 0.00 -2.40 0.05 0.00 -1.09 0.00 0.00 42.92 39.48 2j5r s ASP 132 CO 0.01 -0.51 0.89 -0.72 0.70 0.00 0.00 175.17 175.54 2j5r s TYR 133 N -2.54 -0.12 -0.20 2.11 1.13 -1.26 -4.94 117.35 111.53 2j5r s TYR 133 Ca 0.54 -0.25 -0.09 0.00 -1.41 0.00 0.00 57.07 55.86 2j5r s TYR 133 Cb -0.10 0.67 -0.05 0.00 -1.10 0.00 0.00 41.96 41.38 2j5r s TYR 133 CO 0.33 -0.99 0.11 0.42 -2.51 0.00 0.00 175.55 172.91 2j5r s ILE 134 N -3.37 5.23 -0.02 -3.49 1.01 -0.76 -4.84 121.20 114.96 2j5r s ILE 134 Ca 0.13 0.12 0.04 0.00 0.00 0.00 0.00 60.65 60.94 2j5r s ILE 134 Cb -0.03 -3.38 -0.03 0.00 0.01 0.00 0.00 42.46 39.03 2j5r s ILE 134 CO 0.04 0.45 -0.13 -0.94 0.00 0.00 0.00 174.94 174.35 2j5r s SER 135 N 0.37 4.11 -0.27 3.58 1.04 -0.65 0.57 113.70 122.44 2j5r s SER 135 Ca 0.07 -0.23 0.02 0.00 0.48 0.00 0.00 55.95 56.28 2j5r s SER 135 Cb -0.11 -0.85 0.07 0.00 0.10 0.00 0.00 66.02 65.23 2j5r s SER 135 CO -0.01 0.32 -0.03 -0.22 0.98 0.00 0.00 173.24 174.27 2j5r s LEU 136 N -1.01 3.22 -0.17 2.42 0.20 0.18 -1.63 118.68 121.88 2j5r s LEU 136 Ca 0.13 -1.48 -0.10 0.00 0.69 0.00 0.00 54.13 53.37 2j5r s LEU 136 Cb -0.11 -1.34 -0.05 0.00 -0.43 0.00 0.00 46.19 44.27 2j5r s LEU 136 CO 0.03 -0.27 0.16 -0.89 -0.29 0.00 0.00 176.35 175.09 2j5r s THR 137 N 1.24 5.41 -0.09 3.68 2.01 -0.10 -0.89 115.64 126.90 2j5r s THR 137 Ca -0.02 0.26 0.06 0.00 0.31 0.00 0.00 61.69 62.30 2j5r s THR 137 Cb -0.19 -3.48 -0.09 0.00 0.01 0.00 0.00 72.50 68.75 2j5r s THR 137 CO -0.08 0.48 0.17 0.35 -0.69 0.00 0.00 174.62 174.85 2j5r n THR 138 N 3.10 0.00 -1.65 -0.82 -2.24 0.12 0.51 114.28 113.31 2j5r n THR 138 Ca -0.16 -0.21 -0.57 0.00 -2.27 0.00 0.00 64.05 60.84 2j5r n THR 138 Cb 0.53 0.55 -0.07 0.00 -2.10 0.00 0.00 70.33 69.24 2j5r n THR 138 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2j5r n SER 139 N -1.54 1.62 -4.77 3.42 7.64 -1.22 -4.58 113.62 114.19 2j5r n SER 139 Ca -0.00 1.12 -0.40 0.00 1.01 0.00 0.00 58.87 60.60 2j5r n SER 139 Cb 0.14 -1.09 -0.06 0.00 -1.01 0.00 0.00 64.21 62.19 2j5r n SER 139 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2j5r s ASN 140 N 1.91 7.31 -0.53 6.43 2.47 -1.26 -0.88 114.94 130.39 2j5r s ASN 140 Ca 0.94 1.55 -0.26 0.00 0.42 0.00 0.00 52.86 55.51 2j5r s ASN 140 Cb -1.12 -2.48 0.03 0.00 -1.45 0.00 0.00 41.25 36.23 2j5r s ASN 140 CO 0.60 0.15 1.03 -2.16 -3.72 0.00 0.00 177.10 173.00 2j5r s PRO 141 N -0.76 3.47 0.20 0.43 0.04 -1.26 -4.87 135.00 132.26 2j5r s PRO 141 Ca 0.36 0.07 -0.19 0.00 0.04 0.00 0.00 61.00 61.28 2j5r s PRO 141 Cb -0.22 -4.00 0.17 0.00 0.04 0.00 0.00 34.50 30.49 2j5r s PRO 141 CO 0.25 -1.47 1.58 -0.39 0.04 0.00 0.00 177.00 177.01 2j5r h VAL 142 N 6.10 0.15 -0.62 -0.36 -1.51 -1.26 -0.60 116.25 118.15 2j5r h VAL 142 Ca -0.25 0.00 0.13 0.00 -1.23 0.00 0.00 66.70 65.35 2j5r h VAL 142 Cb 1.07 0.15 -0.11 0.00 -2.13 0.00 0.00 31.29 30.27 2j5r h VAL 142 CO 1.11 0.00 -0.04 0.44 -1.23 0.00 0.00 177.57 177.85 2j5r h ASP 143 N -0.11 -0.35 0.29 4.19 3.32 -1.90 0.81 116.42 122.66 2j5r h ASP 143 Ca 0.27 0.16 -0.27 0.00 0.02 0.00 0.00 57.03 57.22 2j5r h ASP 143 Cb 0.56 0.30 0.02 0.00 0.22 0.00 0.00 39.33 40.43 2j5r h ASP 143 CO -0.75 -0.14 -1.13 -0.07 -1.72 0.00 0.00 179.24 175.43 2j5r h LEU 144 N 0.08 0.68 -0.31 1.55 3.38 -1.76 -2.75 115.31 116.18 2j5r h LEU 144 Ca 0.32 -0.61 -0.09 0.00 0.09 0.00 0.00 57.88 57.59 2j5r h LEU 144 Cb 0.52 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2j5r h LEU 144 CO -0.56 1.43 -0.14 -0.07 0.09 0.00 0.00 178.44 179.18 2j5r h LEU 145 N 0.23 0.66 -1.07 1.67 3.38 -0.41 -1.67 115.31 118.10 2j5r h LEU 145 Ca -0.14 -0.41 -0.06 0.00 0.09 0.00 0.00 57.88 57.36 2j5r h LEU 145 Cb 1.80 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 42.35 2j5r h LEU 145 CO 0.20 0.92 -0.02 -1.13 0.09 0.00 0.00 178.44 178.50 2j5r h ASN 146 N 0.40 0.60 -0.25 -0.43 -1.24 0.50 -2.48 115.58 112.69 2j5r h ASN 146 Ca 0.07 -0.14 -0.13 0.00 0.71 0.00 0.00 56.30 56.81 2j5r h ASN 146 Cb 0.67 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 39.55 2j5r h ASN 146 CO 0.04 0.69 -0.32 -0.09 -1.29 0.00 0.00 177.43 176.47 2j5r h ARG 147 N 0.60 0.76 -0.27 6.67 2.43 -1.29 -2.89 114.38 120.39 2j5r h ARG 147 Ca 0.12 -0.36 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 2j5r h ARG 147 Cb 0.41 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 2j5r h ARG 147 CO 0.02 0.98 0.18 1.25 -1.51 0.00 0.00 179.97 180.88 2j5r h HIS 148 N 0.64 0.34 -0.80 2.20 2.76 -0.95 -0.73 115.15 118.61 2j5r h HIS 148 Ca 0.07 0.01 0.16 0.00 -2.20 0.00 0.00 60.37 58.41 2j5r h HIS 148 Cb 0.85 -0.12 -0.06 0.00 1.55 0.00 0.00 27.41 29.64 2j5r h HIS 148 CO 0.04 0.22 0.53 -0.07 -1.30 0.00 0.00 177.93 177.36 2j5r h LEU 149 N 0.37 0.43 -0.06 0.26 3.38 -1.37 0.22 115.31 118.52 2j5r h LEU 149 Ca 0.10 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 2j5r h LEU 149 Cb -0.04 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2j5r h LEU 149 CO -0.02 0.21 -0.31 0.22 0.09 0.00 0.00 178.44 178.63 2j5r h TYR 150 N 0.45 0.44 0.20 1.13 3.20 -1.07 -0.95 116.97 120.38 2j5r h TYR 150 Ca 0.40 -0.19 -0.01 0.00 3.14 0.00 0.00 58.73 62.07 2j5r h TYR 150 Cb 0.90 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.10 2j5r h TYR 150 CO -0.00 0.93 -0.10 0.93 -1.64 0.00 0.00 178.16 178.28 2j5r h GLU 151 N -0.17 -0.26 0.00 1.82 4.39 -0.05 -2.69 114.58 117.61 2j5r h GLU 151 Ca -0.02 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 2j5r h GLU 151 Cb 0.97 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.68 2j5r h GLU 151 CO 0.07 -0.13 -0.06 0.00 -1.16 0.00 0.00 179.01 177.72 2j5r h ALA 152 N 0.46 1.05 -4.85 3.43 0.00 -0.72 -3.45 119.26 115.19 2j5r h ALA 152 Ca -0.03 -0.06 -0.34 0.00 0.00 0.00 0.00 54.91 54.48 2j5r h ALA 152 Cb 0.25 -0.01 0.07 0.00 0.00 0.00 0.00 17.79 18.11 2j5r h ALA 152 CO 0.05 0.08 0.12 0.41 0.00 0.00 0.00 179.25 179.91 2j5r n GLY 153 N -0.22 0.35 0.02 0.00 0.00 -0.36 -5.03 105.19 99.95 2j5r n GLY 153 Ca -0.00 -1.96 0.01 0.00 0.00 0.00 0.00 46.02 44.07 2j5r n GLY 153 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2j5r n ASP 154 N -3.04 1.83 -4.90 1.61 8.00 -1.26 -4.95 116.55 113.84 2j5r n ASP 154 Ca 0.12 -2.05 -0.29 0.00 0.71 0.00 0.00 54.79 53.28 2j5r n ASP 154 Cb 0.44 -0.06 -0.03 0.00 -0.02 0.00 0.00 41.12 41.45 2j5r n ASP 154 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2j5r s ARG 155 N -1.14 3.67 0.37 -1.24 0.52 -1.26 -5.06 118.95 114.81 2j5r s ARG 155 Ca 0.04 0.16 -0.25 0.00 -0.52 0.00 0.00 55.73 55.16 2j5r s ARG 155 Cb 0.04 -2.54 -0.09 0.00 0.52 0.00 0.00 34.95 32.87 2j5r s ARG 155 CO 0.00 0.09 1.04 -1.12 0.02 0.00 0.00 175.30 175.34 2j5r s SER 156 N -3.27 6.93 0.53 0.23 0.01 -1.26 -4.93 113.70 111.93 2j5r s SER 156 Ca 0.46 2.04 0.35 0.00 1.31 0.00 0.00 55.95 60.12 2j5r s SER 156 Cb -0.10 -2.59 1.52 0.00 0.21 0.00 0.00 66.02 65.05 2j5r s SER 156 CO 0.32 -0.37 1.79 0.08 0.41 0.00 0.00 173.24 175.47 2j5r h ARG 157 N 2.81 0.04 -0.28 12.44 0.11 -1.96 0.10 114.38 127.65 2j5r h ARG 157 Ca -0.48 -0.00 0.08 0.00 0.10 0.00 0.00 59.98 59.68 2j5r h ARG 157 Cb 1.21 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 32.27 2j5r h ARG 157 CO 0.63 0.03 0.20 0.93 0.10 0.00 0.00 179.97 181.86 2j5r h GLU 158 N 0.04 0.02 0.00 0.08 3.07 -1.90 -2.24 114.58 113.64 2j5r h GLU 158 Ca 0.59 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.45 2j5r h GLU 158 Cb 2.26 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 30.17 2j5r h GLU 158 CO -0.04 0.01 -0.63 1.04 -1.40 0.00 0.00 179.01 177.99 2j5r n GLN 159 N -4.46 0.25 -3.52 2.33 3.00 0.36 -1.52 117.38 113.82 2j5r n GLN 159 Ca 0.04 0.07 -0.42 0.00 -0.01 0.00 0.00 57.00 56.68 2j5r n GLN 159 Cb 0.35 -1.65 -0.07 0.00 0.00 0.00 0.00 30.24 28.87 2j5r n GLN 159 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 2j5r s VAL 160 N -3.15 4.53 -0.12 5.09 1.01 -0.84 -1.64 120.40 125.28 2j5r s VAL 160 Ca 0.07 -2.26 -0.02 0.00 0.00 0.00 0.00 61.98 59.77 2j5r s VAL 160 Cb 0.14 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 2j5r s VAL 160 CO 0.72 -0.88 -0.06 -0.63 0.00 0.00 0.00 175.10 174.25 2j5r s ILE 161 N 0.68 3.73 -0.14 2.22 1.01 -0.65 -4.65 121.20 123.40 2j5r s ILE 161 Ca 0.12 -0.44 -0.10 0.00 0.00 0.00 0.00 60.65 60.23 2j5r s ILE 161 Cb -0.21 -2.59 -0.05 0.00 0.01 0.00 0.00 42.46 39.63 2j5r s ILE 161 CO -0.03 0.53 0.19 -0.83 0.00 0.00 0.00 174.94 174.80 2j5r s GLY 162 N -0.05 2.17 -0.14 6.18 0.00 0.16 -0.92 107.32 114.72 2j5r s GLY 162 Ca 0.00 -0.58 -0.08 0.00 0.00 0.00 0.00 44.72 44.07 2j5r s GLY 162 CO 0.03 -0.05 0.13 -0.12 0.00 0.00 0.00 173.10 173.09 2j5r s PHE 163 N -0.41 3.51 0.00 1.90 5.36 0.18 -1.14 117.98 127.39 2j5r s PHE 163 Ca 0.14 0.44 0.00 0.00 -0.96 0.00 0.00 56.93 56.55 2j5r s PHE 163 Cb -0.12 -1.99 0.00 0.00 -0.34 0.00 0.00 43.02 40.56 2j5r s PHE 163 CO 0.03 0.59 0.00 0.41 -1.46 0.00 0.00 175.22 174.79 2j5r n GLY 164 N 2.45 0.56 0.32 13.12 0.00 -1.26 -4.67 105.19 115.70 2j5r n GLY 164 Ca -0.19 -0.03 0.08 0.00 0.00 0.00 0.00 46.02 45.89 2j5r n GLY 164 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2j5r h GLY 165 N 0.00 1.45 2.00 -0.02 0.00 -1.86 0.73 103.07 105.37 2j5r h GLY 165 Ca 0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.03 2j5r h GLY 165 CO 0.00 -0.04 -0.16 -0.09 0.00 0.00 0.00 176.54 176.25 2j5r h ARG 166 N 0.64 0.00 0.15 4.80 9.65 -1.88 0.79 114.38 128.53 2j5r h ARG 166 Ca 0.48 0.00 -0.23 0.00 -1.10 0.00 0.00 59.98 59.13 2j5r h ARG 166 Cb 0.70 0.00 0.02 0.00 -1.39 0.00 0.00 29.97 29.30 2j5r h ARG 166 CO -0.37 0.16 -1.10 1.25 2.80 0.00 0.00 179.97 182.71 2j5r h LEU 167 N 0.00 0.49 -0.94 3.80 5.85 -1.26 -2.80 115.31 120.44 2j5r h LEU 167 Ca -0.00 -0.92 -0.01 0.00 0.84 0.00 0.00 57.88 57.79 2j5r h LEU 167 Cb 0.49 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 2j5r h LEU 167 CO 0.02 1.51 0.54 0.44 -0.34 0.00 0.00 178.44 180.61 2j5r h ASP 168 N -0.29 1.13 0.19 1.25 3.32 -0.83 -2.13 116.42 119.06 2j5r h ASP 168 Ca -0.21 -0.08 -0.09 0.00 0.02 0.00 0.00 57.03 56.67 2j5r h ASP 168 Cb 1.75 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 41.00 2j5r h ASP 168 CO 0.14 0.89 -0.34 0.28 -1.72 0.00 0.00 179.24 178.48 2j5r h SER 169 N 1.29 0.23 -0.35 6.45 0.02 -0.93 -1.49 113.55 118.77 2j5r h SER 169 Ca 0.33 -0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 61.16 2j5r h SER 169 Cb -0.02 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 2j5r h SER 169 CO -0.06 0.56 0.08 0.00 -1.14 0.00 0.00 176.83 176.28 2j5r h ALA 170 N 1.46 0.46 -0.73 3.77 0.00 -1.15 -0.16 119.26 122.92 2j5r h ALA 170 Ca 0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2j5r h ALA 170 Cb 0.70 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2j5r h ALA 170 CO 0.05 0.13 0.36 0.00 0.00 0.00 0.00 179.25 179.80 2j5r h ARG 171 N 0.41 1.04 -0.75 0.00 3.08 -1.14 -1.65 114.38 115.37 2j5r h ARG 171 Ca 0.11 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 2j5r h ARG 171 Cb 0.31 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 2j5r h ARG 171 CO 0.00 0.81 0.39 0.35 -1.07 0.00 0.00 179.97 180.44 2j5r h PHE 172 N 1.01 1.06 -0.53 3.04 3.57 -1.04 -2.74 116.94 121.31 2j5r h PHE 172 Ca 0.25 -0.04 -0.11 0.00 3.53 0.00 0.00 57.97 61.60 2j5r h PHE 172 Cb 0.10 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.49 2j5r h PHE 172 CO 0.01 0.76 -0.12 0.00 -2.23 0.00 0.00 178.31 176.73 2j5r h ARG 173 N 1.05 1.01 0.04 1.11 3.08 -0.53 -1.93 114.38 118.20 2j5r h ARG 173 Ca 0.26 -0.37 0.00 0.00 0.07 0.00 0.00 59.98 59.94 2j5r h ARG 173 Cb 0.08 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.06 2j5r h ARG 173 CO -0.04 1.06 -0.03 -0.92 -1.07 0.00 0.00 179.97 178.96 2j5r h TYR 174 N 0.89 -0.09 0.00 3.04 3.20 -1.18 -0.20 116.97 122.64 2j5r h TYR 174 Ca 0.14 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.93 2j5r h TYR 174 Cb 0.68 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.97 2j5r h TYR 174 CO 0.04 -0.06 -0.35 -0.39 -1.64 0.00 0.00 178.16 175.76 2j5r h VAL 175 N -0.08 1.07 -0.14 1.81 -1.51 -1.45 -1.46 116.25 114.49 2j5r h VAL 175 Ca 0.00 -1.30 -0.02 0.00 -1.23 0.00 0.00 66.70 64.16 2j5r h VAL 175 Cb 0.08 1.74 -0.01 0.00 -2.13 0.00 0.00 31.29 30.97 2j5r h VAL 175 CO -0.01 0.35 0.03 -0.07 -1.23 0.00 0.00 177.57 176.64 2j5r h LEU 176 N 0.00 0.22 -1.82 4.19 3.38 -1.06 0.27 115.31 120.50 2j5r h LEU 176 Ca -0.00 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.69 2j5r h LEU 176 Cb 0.71 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 2j5r h LEU 176 CO 0.05 0.41 -0.14 0.77 0.09 0.00 0.00 178.44 179.61 2j5r h SER 177 N 0.03 0.00 -0.03 -0.43 4.64 -0.35 0.94 113.55 118.35 2j5r h SER 177 Ca 0.04 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.31 2j5r h SER 177 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2j5r h SER 177 CO 0.00 0.14 -0.18 -0.33 -0.87 0.00 0.00 176.83 175.60 2j5r h GLU 178 N 0.00 0.17 -0.39 4.77 4.39 -0.97 -0.29 114.58 122.26 2j5r h GLU 178 Ca -0.00 -0.14 -0.02 0.00 0.34 0.00 0.00 59.36 59.53 2j5r h GLU 178 Cb 0.30 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 2j5r h GLU 178 CO 0.02 0.82 0.15 1.49 -1.16 0.00 0.00 179.01 180.32 2j5r h GLU 179 N -0.43 0.55 -0.01 2.33 4.57 -0.40 -3.01 114.58 118.19 2j5r h GLU 179 Ca -0.01 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 2j5r h GLU 179 Cb 0.85 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.34 2j5r h GLU 179 CO 0.04 0.47 -0.66 1.19 -1.18 0.00 0.00 179.01 178.86 2j5r n PHE 180 N -4.37 0.00 -3.40 0.92 3.01 0.28 -5.00 117.46 108.90 2j5r n PHE 180 Ca 0.03 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.32 2j5r n PHE 180 Cb 0.15 0.00 0.08 0.00 -0.01 0.00 0.00 39.48 39.70 2j5r n PHE 180 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2j5r n ASP 181 N -0.62 -3.05 -4.24 4.37 2.03 -0.18 -5.02 116.55 109.85 2j5r n ASP 181 Ca 0.07 -0.65 -0.14 0.00 0.52 0.00 0.00 54.79 54.59 2j5r n ASP 181 Cb 0.39 -5.12 -0.10 0.00 -0.72 0.00 0.00 41.12 35.57 2j5r n ASP 181 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2j5r s ALA 182 N -3.37 1.40 0.29 -1.67 0.00 -0.86 -5.06 121.76 112.49 2j5r s ALA 182 Ca 0.10 -1.43 -0.30 0.00 0.00 0.00 0.00 51.96 50.33 2j5r s ALA 182 Cb -0.01 0.03 -0.12 0.00 0.00 0.00 0.00 23.12 23.02 2j5r s ALA 182 CO 0.73 -0.07 1.58 -2.30 0.00 0.00 0.00 175.76 175.71 2j5r n PRO 183 N -0.02 2.65 0.26 0.00 -0.02 -1.26 -4.72 135.00 131.89 2j5r n PRO 183 Ca -0.12 0.94 0.10 0.00 -2.02 0.00 0.00 63.50 62.40 2j5r n PRO 183 Cb 0.60 -2.72 0.69 0.00 -0.02 0.00 0.00 33.50 32.06 2j5r n PRO 183 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 2j5r h VAL 184 N 3.33 0.87 0.00 -1.45 3.04 -1.92 0.46 116.25 120.58 2j5r h VAL 184 Ca -0.47 -0.16 0.00 0.00 -1.01 0.00 0.00 66.70 65.06 2j5r h VAL 184 Cb 1.23 1.09 0.00 0.00 -2.01 0.00 0.00 31.29 31.60 2j5r h VAL 184 CO 0.79 0.04 0.00 0.00 -1.01 0.00 0.00 177.57 177.40 2j5r n GLN 185 N -4.25 0.80 -0.17 4.17 6.02 -1.26 -1.64 117.38 121.06 2j5r n GLN 185 Ca -0.03 0.00 0.10 0.00 -0.01 0.00 0.00 57.00 57.07 2j5r n GLN 185 Cb 0.13 -1.50 0.19 0.00 1.02 0.00 0.00 30.24 30.08 2j5r n GLN 185 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2j5r n ASN 186 N -1.00 3.23 -4.25 1.08 4.13 0.15 -4.92 115.26 113.69 2j5r n ASN 186 Ca 0.19 -1.93 -0.32 0.00 1.68 0.00 0.00 54.58 54.19 2j5r n ASN 186 Cb 0.09 -0.22 -0.16 0.00 -1.54 0.00 0.00 39.78 37.95 2j5r n ASN 186 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2j5r s VAL 187 N -1.36 2.35 -0.25 2.41 1.01 -0.65 -1.09 120.40 122.82 2j5r s VAL 187 Ca 0.34 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.43 2j5r s VAL 187 Cb 0.20 -1.94 0.05 0.00 0.00 0.00 0.00 36.38 34.69 2j5r s VAL 187 CO 0.28 0.54 -0.11 -0.70 0.00 0.00 0.00 175.10 175.12 2j5r s GLU 188 N 0.49 2.50 0.03 2.72 2.12 0.50 -4.99 118.70 122.06 2j5r s GLU 188 Ca -0.13 -1.18 -0.06 0.00 0.36 0.00 0.00 54.97 53.96 2j5r s GLU 188 Cb -0.17 -2.88 -0.01 0.00 0.26 0.00 0.00 34.13 31.33 2j5r s GLU 188 CO 0.05 -0.48 0.10 0.20 -0.54 0.00 0.00 175.26 174.59 2j5r s GLY 189 N 1.19 0.14 -0.02 -1.50 0.00 -1.26 -1.25 107.32 104.62 2j5r s GLY 189 Ca -0.04 -0.44 -0.07 0.00 0.00 0.00 0.00 44.72 44.17 2j5r s GLY 189 CO -0.06 -0.58 0.15 -1.59 0.00 0.00 0.00 173.10 171.02 2j5r s THR 190 N -2.21 0.05 -0.14 0.90 2.01 -1.26 -4.78 115.64 110.21 2j5r s THR 190 Ca -0.08 -0.43 0.01 0.00 0.31 0.00 0.00 61.69 61.50 2j5r s THR 190 Cb -0.03 -0.36 -0.00 0.00 0.01 0.00 0.00 72.50 72.11 2j5r s THR 190 CO -0.03 -0.24 -0.17 -0.63 -0.69 0.00 0.00 174.62 172.86 2j5r s ILE 191 N -0.83 2.52 0.14 1.82 -1.09 -1.26 -2.10 121.20 120.39 2j5r s ILE 191 Ca -0.09 -0.83 0.01 0.00 -2.23 0.00 0.00 60.65 57.51 2j5r s ILE 191 Cb -0.05 -2.04 0.01 0.00 -1.58 0.00 0.00 42.46 38.80 2j5r s ILE 191 CO 0.01 0.53 0.07 0.18 -1.23 0.00 0.00 174.94 174.49 2j5r n LEU 192 N 3.94 0.00 0.00 2.97 4.77 -0.90 -4.70 117.00 123.08 2j5r n LEU 192 Ca -0.19 -0.79 0.00 0.00 -0.03 0.00 0.00 56.01 55.00 2j5r n LEU 192 Cb 0.52 0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 2j5r n LEU 192 CO 0.28 -0.25 0.00 0.61 -1.33 0.00 0.00 177.39 176.70 2j5r n GLY 193 N 3.31 -1.15 3.77 -0.72 0.00 -0.63 0.71 105.19 110.46 2j5r n GLY 193 Ca -0.03 -1.30 -0.39 0.00 0.00 0.00 0.00 46.02 44.30 2j5r n GLY 193 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2j5r s GLU 194 N 0.00 3.94 -0.99 1.61 2.12 -0.98 -1.24 118.70 123.16 2j5r s GLU 194 Ca 0.00 2.17 -0.18 0.00 0.36 0.00 0.00 54.97 57.32 2j5r s GLU 194 Cb 0.00 -2.75 0.14 0.00 0.26 0.00 0.00 34.13 31.78 2j5r s GLU 194 CO 0.00 -0.52 1.20 -1.58 -0.54 0.00 0.00 175.26 173.82 2j5r s HIS 195 N -1.26 3.18 0.00 5.30 5.65 -1.26 -3.73 115.29 123.17 2j5r s HIS 195 Ca 0.57 -1.53 0.00 0.00 0.25 0.00 0.00 55.06 54.35 2j5r s HIS 195 Cb -0.38 -4.30 0.00 0.00 -1.18 0.00 0.00 32.58 26.72 2j5r s HIS 195 CO 0.49 -1.48 0.00 0.41 -0.65 0.00 0.00 174.74 173.51 2j5r n GLY 196 N 5.24 -0.54 0.20 1.59 0.00 -1.26 -4.87 105.19 105.55 2j5r n GLY 196 Ca 0.27 -0.18 -0.15 0.00 0.00 0.00 0.00 46.02 45.96 2j5r n GLY 196 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2j5r h ASP 197 N 0.00 0.77 -1.09 1.61 3.58 -2.02 -3.30 116.42 115.97 2j5r h ASP 197 Ca 0.00 -0.57 -0.51 0.00 0.42 0.00 0.00 57.03 56.37 2j5r h ASP 197 Cb 0.00 -0.22 -0.18 0.00 1.72 0.00 0.00 39.33 40.65 2j5r h ASP 197 CO 0.00 1.20 0.43 0.00 -2.88 0.00 0.00 179.24 177.99 2j5r n ALA 198 N -2.54 6.47 -1.41 -0.78 0.00 -1.26 -4.96 120.51 116.02 2j5r n ALA 198 Ca -0.06 -3.09 -0.29 0.00 0.00 0.00 0.00 53.44 50.00 2j5r n ALA 198 Cb 0.59 -2.16 0.13 0.00 0.00 0.00 0.00 19.45 18.01 2j5r n ALA 198 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2j5r s GLN 199 N -1.75 1.26 -0.47 0.00 -2.07 -1.24 -2.33 119.66 113.06 2j5r s GLN 199 Ca 0.59 0.51 0.04 0.00 -1.82 0.00 0.00 55.36 54.68 2j5r s GLN 199 Cb 0.38 -1.83 0.17 0.00 -1.09 0.00 0.00 33.01 30.63 2j5r s GLN 199 CO -0.23 -2.16 0.36 0.08 -1.32 0.00 0.00 175.29 172.03 2j5r s VAL 200 N -3.13 0.94 -0.17 3.63 1.01 0.22 -4.81 120.40 118.09 2j5r s VAL 200 Ca 0.63 -2.95 -0.29 0.00 0.00 0.00 0.00 61.98 59.37 2j5r s VAL 200 Cb -0.16 -1.65 -0.05 0.00 0.00 0.00 0.00 36.38 34.52 2j5r s VAL 200 CO 0.55 -1.16 2.08 -2.84 0.00 0.00 0.00 175.10 173.73 2j5r s PRO 201 N -0.20 3.42 -1.36 2.72 0.02 -1.26 -2.12 135.00 136.22 2j5r s PRO 201 Ca 0.29 2.07 -0.12 0.00 0.02 0.00 0.00 61.00 63.27 2j5r s PRO 201 Cb -0.01 -4.28 0.11 0.00 0.02 0.00 0.00 34.50 30.34 2j5r s PRO 201 CO -0.17 -1.77 2.03 0.28 -0.33 0.00 0.00 177.00 177.04 2j5r n VAL 202 N 7.13 3.94 0.22 3.83 0.31 -0.89 -4.73 118.33 128.14 2j5r n VAL 202 Ca 0.26 -3.78 0.15 0.00 -0.01 0.00 0.00 64.34 60.96 2j5r n VAL 202 Cb 0.44 -2.47 0.80 0.00 -0.91 0.00 0.00 33.84 31.71 2j5r n VAL 202 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2j5r h PHE 203 N 5.90 0.00 0.00 3.52 0.04 -1.90 -2.18 116.94 122.32 2j5r h PHE 203 Ca 0.47 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.23 2j5r h PHE 203 Cb 0.64 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.79 2j5r h PHE 203 CO 1.35 0.00 -0.06 0.66 -0.60 0.00 0.00 178.31 179.65 2j5r h SER 204 N 0.00 0.00 -0.21 2.17 4.64 -1.93 -2.82 113.55 115.41 2j5r h SER 204 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2j5r h SER 204 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 2j5r h SER 204 CO -0.00 0.06 0.00 0.29 -0.87 0.00 0.00 176.83 176.31 2j5r n LYS 205 N -3.40 2.25 -1.82 4.77 5.02 -0.82 -5.01 118.16 119.15 2j5r n LYS 205 Ca -0.02 -1.71 -0.42 0.00 -2.02 0.00 0.00 58.31 54.15 2j5r n LYS 205 Cb 0.21 -1.20 -0.03 0.00 -0.02 0.00 0.00 35.03 33.99 2j5r n LYS 205 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2j5r s VAL 206 N -0.93 2.28 -0.08 -0.18 1.01 -1.07 -4.83 120.40 116.60 2j5r s VAL 206 Ca 0.16 0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.36 2j5r s VAL 206 Cb 0.09 -3.13 0.02 0.00 0.00 0.00 0.00 36.38 33.35 2j5r s VAL 206 CO 0.12 0.02 -0.11 -0.60 0.00 0.00 0.00 175.10 174.52 2j5r s ARG 207 N 0.91 1.69 -0.13 2.72 3.52 -0.38 -4.29 118.95 123.00 2j5r s ARG 207 Ca 0.71 -0.39 -0.00 0.00 -0.13 0.00 0.00 55.73 55.92 2j5r s ARG 207 Cb -0.47 -1.47 0.03 0.00 -1.56 0.00 0.00 34.95 31.48 2j5r s ARG 207 CO 0.34 -0.04 -0.08 0.08 -0.81 0.00 0.00 175.30 174.79 2j5r s VAL 208 N 0.90 1.11 -1.50 7.11 1.01 -0.71 -0.37 120.40 127.95 2j5r s VAL 208 Ca -0.10 -0.39 -0.12 0.00 0.00 0.00 0.00 61.98 61.36 2j5r s VAL 208 Cb -0.15 -1.14 0.07 0.00 0.00 0.00 0.00 36.38 35.16 2j5r s VAL 208 CO 0.01 0.33 0.91 0.47 0.00 0.00 0.00 175.10 176.82 2j5r n ASP 209 N 4.91 -4.92 0.00 3.32 8.00 -0.25 -1.09 116.55 126.52 2j5r n ASP 209 Ca -0.13 -0.68 0.00 0.00 0.71 0.00 0.00 54.79 54.69 2j5r n ASP 209 Cb 0.50 -3.94 0.00 0.00 -0.02 0.00 0.00 41.12 37.66 2j5r n ASP 209 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2j5r n GLY 210 N -1.64 2.71 3.93 0.44 0.00 -1.26 -5.02 105.19 104.35 2j5r n GLY 210 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 2j5r n GLY 210 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2j5r s THR 210 N -2.88 4.60 -0.68 2.61 -4.23 -0.25 -5.07 115.64 109.75 2j5r s THR 210 Ca 0.00 -0.19 0.05 0.00 -1.18 0.00 0.00 61.69 60.37 2j5r s THR 210 Cb 0.00 -3.72 0.18 0.00 1.34 0.00 0.00 72.50 70.30 2j5r s THR 210 CO 0.00 -0.59 0.52 0.47 -0.54 0.00 0.00 174.62 174.48 2j5r n ASP 211 N -2.11 2.85 -4.69 3.99 8.00 -1.26 -1.73 116.55 121.59 2j5r n ASP 211 Ca -0.00 -3.18 -0.35 0.00 0.71 0.00 0.00 54.79 51.96 2j5r n ASP 211 Cb 0.56 -0.73 0.10 0.00 -0.02 0.00 0.00 41.12 41.03 2j5r n ASP 211 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2j5r n PRO 212 N 1.86 0.64 -4.04 -0.24 -0.04 -1.26 -5.03 135.00 126.89 2j5r n PRO 212 Ca 0.22 0.28 -0.28 0.00 -0.04 0.00 0.00 63.50 63.68 2j5r n PRO 212 Cb 0.37 -2.43 -0.05 0.00 -0.04 0.00 0.00 33.50 31.34 2j5r n PRO 212 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2j5r s GLU 219 N -3.64 3.01 -0.10 0.54 0.41 -1.26 -4.90 118.70 112.76 2j5r s GLU 219 Ca 0.77 -0.73 0.02 0.00 -0.41 0.00 0.00 54.97 54.62 2j5r s GLU 219 Cb -0.34 -2.75 0.01 0.00 -1.78 0.00 0.00 34.13 29.27 2j5r s GLU 219 CO 0.46 0.53 -0.15 -0.06 -0.49 0.00 0.00 175.26 175.56 2j5r s PHE 220 N -1.59 1.88 0.53 1.61 0.40 -1.26 -5.10 117.98 114.45 2j5r s PHE 220 Ca 0.31 -0.84 -0.16 0.00 -0.60 0.00 0.00 56.93 55.64 2j5r s PHE 220 Cb -0.11 -1.36 -0.07 0.00 0.51 0.00 0.00 43.02 41.99 2j5r s PHE 220 CO 0.24 -0.43 0.99 -1.54 0.70 0.00 0.00 175.22 175.18 2j5r s SER 221 N 0.91 6.54 0.22 1.36 1.04 -1.26 -4.84 113.70 117.67 2j5r s SER 221 Ca -0.08 1.56 -0.08 0.00 0.48 0.00 0.00 55.95 57.83 2j5r s SER 221 Cb -0.15 -2.51 0.36 0.00 0.10 0.00 0.00 66.02 63.82 2j5r s SER 221 CO -0.00 -0.65 1.68 1.23 0.98 0.00 0.00 173.24 176.48 2j5r h GLY 222 N 0.74 0.83 0.80 7.32 0.00 -2.00 0.12 103.07 110.89 2j5r h GLY 222 Ca -0.46 0.01 0.04 0.00 0.00 0.00 0.00 47.33 46.91 2j5r h GLY 222 CO 0.61 -0.18 0.47 1.29 0.00 0.00 0.00 176.54 178.74 2j5r h ASP 223 N 0.22 0.75 -0.46 0.19 3.04 -1.99 -1.92 116.42 116.25 2j5r h ASP 223 Ca 0.36 0.01 0.02 0.00 -3.24 0.00 0.00 57.03 54.17 2j5r h ASP 223 Cb 0.58 -0.15 -0.03 0.00 -1.04 0.00 0.00 39.33 38.69 2j5r h ASP 223 CO -0.49 0.50 0.28 -0.33 -2.04 0.00 0.00 179.24 177.16 2j5r h GLU 224 N 0.89 0.54 -0.37 4.15 5.08 -1.17 -1.00 114.58 122.70 2j5r h GLU 224 Ca 0.32 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.64 2j5r h GLU 224 Cb 0.08 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 2j5r h GLU 224 CO -0.14 0.36 0.20 0.87 -1.00 0.00 0.00 179.01 179.30 2j5r h LYS 225 N 0.56 0.52 0.00 2.33 1.57 -0.89 -0.74 116.57 119.92 2j5r h LYS 225 Ca 0.18 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2j5r h LYS 225 Cb 0.00 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 2j5r h LYS 225 CO -0.08 0.43 -0.02 0.93 -0.57 0.00 0.00 179.45 180.14 2j5r h GLU 226 N 0.47 0.00 0.13 3.15 3.07 -0.92 0.24 114.58 120.71 2j5r h GLU 226 Ca 0.13 0.00 -0.18 0.00 -0.50 0.00 0.00 59.36 58.81 2j5r h GLU 226 Cb 0.07 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.00 2j5r h GLU 226 CO -0.02 0.02 -0.78 1.96 -1.40 0.00 0.00 179.01 178.80 2j5r h GLN 227 N 0.00 0.29 -0.45 2.33 1.08 -0.19 -2.84 115.11 115.34 2j5r h GLN 227 Ca -0.00 -0.49 -0.11 0.00 -1.45 0.00 0.00 58.65 56.59 2j5r h GLN 227 Cb 0.09 0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.69 2j5r h GLN 227 CO 0.00 1.23 -0.17 -0.07 -0.95 0.00 0.00 178.83 178.87 2j5r h LEU 228 N -0.38 0.87 -1.58 1.46 3.38 -0.22 -1.01 115.31 117.84 2j5r h LEU 228 Ca -0.13 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 2j5r h LEU 228 Cb 1.61 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 42.12 2j5r h LEU 228 CO 0.15 1.03 -0.07 -0.07 0.09 0.00 0.00 178.44 179.57 2j5r h LEU 229 N 0.76 0.00 0.13 1.67 3.38 -0.69 0.63 115.31 121.19 2j5r h LEU 229 Ca 0.11 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.78 2j5r h LEU 229 Cb 0.70 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.48 2j5r h LEU 229 CO 0.05 0.07 -1.28 1.23 0.09 0.00 0.00 178.44 178.60 2j5r h GLY 230 N 1.72 0.64 1.00 0.83 0.00 -1.12 -1.94 103.07 104.20 2j5r h GLY 230 Ca -0.00 -1.40 -0.05 0.00 0.00 0.00 0.00 47.33 45.88 2j5r h GLY 230 CO 0.01 1.23 0.14 -0.55 0.00 0.00 0.00 176.54 177.37 2j5r h ASP 231 N 0.23 0.83 0.32 0.19 3.32 -0.59 -0.17 116.42 120.56 2j5r h ASP 231 Ca -0.19 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 56.62 2j5r h ASP 231 Cb 1.96 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 41.28 2j5r h ASP 231 CO 0.24 0.84 -0.24 0.25 -1.72 0.00 0.00 179.24 178.61 2j5r h LEU 232 N 0.78 -0.61 -0.03 1.55 5.85 -0.90 0.29 115.31 122.24 2j5r h LEU 232 Ca 0.17 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.96 2j5r h LEU 232 Cb 0.33 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 2j5r h LEU 232 CO 0.00 -0.36 -0.08 -0.61 -0.34 0.00 0.00 178.44 177.05 2j5r h GLN 233 N -0.56 -0.12 -0.72 1.25 5.75 -1.24 -1.98 115.11 117.49 2j5r h GLN 233 Ca -0.03 0.01 0.05 0.00 -0.15 0.00 0.00 58.65 58.54 2j5r h GLN 233 Cb 0.48 0.03 -0.05 0.00 1.07 0.00 0.00 27.48 29.01 2j5r h GLN 233 CO 0.00 -0.08 0.42 1.49 -2.65 0.00 0.00 178.83 178.02 2j5r h GLU 234 N -0.13 0.76 -0.73 1.69 4.81 -0.81 -1.55 114.58 118.63 2j5r h GLU 234 Ca 0.04 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 2j5r h GLU 234 Cb 0.18 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 2j5r h GLU 234 CO -0.10 0.51 0.34 1.03 -0.73 0.00 0.00 179.01 180.06 2j5r h SER 235 N 0.79 0.95 0.13 1.04 0.87 -0.03 -1.69 113.55 115.60 2j5r h SER 235 Ca 0.31 -0.11 -0.14 0.00 -1.23 0.00 0.00 61.79 60.62 2j5r h SER 235 Cb 0.15 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 2j5r h SER 235 CO -0.16 0.81 -0.51 0.00 -0.53 0.00 0.00 176.83 176.43 2j5r h ALA 236 N 1.34 0.83 -0.00 6.23 0.00 -0.88 -2.82 119.26 123.95 2j5r h ALA 236 Ca 0.25 -0.49 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 2j5r h ALA 236 Cb 0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2j5r h ALA 236 CO -0.03 0.67 -0.49 0.52 0.00 0.00 0.00 179.25 179.92 2j5r h MET 237 N 0.34 0.01 -0.92 0.00 2.07 -1.03 0.50 114.93 115.89 2j5r h MET 237 Ca 0.01 -0.00 0.08 0.00 -2.07 0.00 0.00 59.70 57.72 2j5r h MET 237 Cb 1.01 0.00 -0.06 0.00 -1.87 0.00 0.00 31.60 30.68 2j5r h MET 237 CO 0.09 0.50 0.60 -0.44 1.07 0.00 0.00 176.91 178.72 2j5r h ASP 238 N 0.01 0.88 0.11 1.22 3.32 -1.05 0.38 116.42 121.28 2j5r h ASP 238 Ca -0.00 0.02 -0.23 0.00 0.02 0.00 0.00 57.03 56.84 2j5r h ASP 238 Cb 0.87 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.26 2j5r h ASP 238 CO 0.06 0.54 -1.12 0.58 -1.72 0.00 0.00 179.24 177.58 2j5r h VAL 239 N 0.98 1.22 -0.34 -1.35 2.07 -1.32 -2.73 116.25 114.78 2j5r h VAL 239 Ca 0.42 -2.42 -0.06 0.00 0.82 0.00 0.00 66.70 65.45 2j5r h VAL 239 Cb 0.31 2.87 -0.01 0.00 -1.52 0.00 0.00 31.29 32.94 2j5r h VAL 239 CO -0.17 0.67 -0.03 0.40 0.02 0.00 0.00 177.57 178.46 2j5r h ILE 240 N -0.43 1.27 0.00 4.57 2.04 0.19 -2.97 117.51 122.18 2j5r h ILE 240 Ca -0.24 -1.04 -0.19 0.00 1.00 0.00 0.00 64.86 64.39 2j5r h ILE 240 Cb 1.63 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 38.94 2j5r h ILE 240 CO 0.06 0.34 -1.50 -0.62 0.00 0.00 0.00 178.15 176.43 2j5r n GLU 241 N -4.48 0.54 0.10 2.37 1.02 0.13 -3.50 120.64 116.82 2j5r n GLU 241 Ca -0.02 0.32 0.02 0.00 -0.02 0.00 0.00 57.16 57.47 2j5r n GLU 241 Cb 0.30 -1.53 0.39 0.00 -0.02 0.00 0.00 31.44 30.57 2j5r n GLU 241 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2j5r h ARG 242 N -1.00 0.29 0.05 3.49 3.08 -1.36 -3.12 114.38 115.81 2j5r h ARG 242 Ca -0.29 -0.06 -0.35 0.00 0.07 0.00 0.00 59.98 59.35 2j5r h ARG 242 Cb 1.18 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 31.14 2j5r h ARG 242 CO -0.18 0.39 -2.10 1.17 -1.07 0.00 0.00 179.97 178.19 2j5r n LYS 243 N -4.30 0.69 0.00 0.04 4.81 -1.07 -5.00 118.16 113.33 2j5r n LYS 243 Ca -0.00 0.20 0.00 0.00 -0.87 0.00 0.00 58.31 57.64 2j5r n LYS 243 Cb 0.24 -1.66 0.00 0.00 0.02 0.00 0.00 35.03 33.64 2j5r n LYS 243 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2j5r n GLY 244 N 1.90 2.05 3.64 3.14 0.00 -1.13 -5.04 105.19 109.75 2j5r n GLY 244 Ca -0.31 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.66 2j5r n GLY 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j5r s ALA 245 N -2.39 -2.19 0.11 4.61 0.00 -1.19 -4.90 121.76 115.81 2j5r s ALA 245 Ca 0.00 1.92 -0.30 0.00 0.00 0.00 0.00 51.96 53.57 2j5r s ALA 245 Cb 0.00 -1.66 -0.06 0.00 0.00 0.00 0.00 23.12 21.40 2j5r s ALA 245 CO 0.00 -0.24 1.15 0.95 0.00 0.00 0.00 175.76 177.62 2j5r s THR 246 N 0.53 3.98 0.00 0.00 -4.23 -1.26 -4.87 115.64 109.79 2j5r s THR 246 Ca 0.00 1.54 0.00 0.00 -1.18 0.00 0.00 61.69 62.05 2j5r s THR 246 Cb -0.04 -3.99 0.00 0.00 1.34 0.00 0.00 72.50 69.81 2j5r s THR 246 CO -0.11 0.19 0.00 1.21 -0.54 0.00 0.00 174.62 175.37 2j5r n GLU 247 N 3.18 0.00 -0.28 3.99 2.13 -1.26 -4.65 120.64 123.75 2j5r n GLU 247 Ca 0.06 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.82 2j5r n GLU 247 Cb 0.46 0.00 0.06 0.00 0.27 0.00 0.00 31.44 32.24 2j5r n GLU 247 CO 0.00 0.00 0.00 -1.49 -0.41 0.00 0.00 177.13 175.23 2j5r h TRP 248 N 0.00 1.21 0.20 4.31 -0.00 -1.97 -2.03 115.95 117.67 2j5r h TRP 248 Ca 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 58.89 58.78 2j5r h TRP 248 Cb 0.00 -0.36 -0.03 0.00 -0.00 0.00 0.00 29.16 28.78 2j5r h TRP 248 CO 0.00 0.93 -0.38 0.78 -0.00 0.00 0.00 178.44 179.78 2j5r h GLY 249 N 1.15 -1.16 1.03 1.49 0.00 -1.99 -1.90 103.07 101.69 2j5r h GLY 249 Ca 0.25 0.57 -0.09 0.00 0.00 0.00 0.00 47.33 48.07 2j5r h GLY 249 CO -0.01 -0.33 -0.02 -0.56 0.00 0.00 0.00 176.54 175.62 2j5r h PRO 250 N -0.62 0.92 -0.49 4.80 0.13 -1.90 -2.11 132.00 132.74 2j5r h PRO 250 Ca -0.02 -0.30 0.10 0.00 -0.87 0.00 0.00 66.00 64.91 2j5r h PRO 250 Cb 0.58 -0.08 -0.09 0.00 0.13 0.00 0.00 31.00 31.54 2j5r h PRO 250 CO -0.15 0.95 -0.14 0.00 -0.23 0.00 0.00 178.00 178.43 2j5r h ALA 251 N 0.94 0.28 -0.01 -0.56 0.00 -1.34 0.89 119.26 119.46 2j5r h ALA 251 Ca 0.14 0.19 -0.20 0.00 0.00 0.00 0.00 54.91 55.04 2j5r h ALA 251 Cb 0.55 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2j5r h ALA 251 CO 0.03 -0.47 -0.86 -0.09 0.00 0.00 0.00 179.25 177.86 2j5r h ARG 252 N -0.03 0.30 -0.23 0.00 9.65 -1.35 -2.18 114.38 120.54 2j5r h ARG 252 Ca 0.23 -0.31 -0.08 0.00 -1.10 0.00 0.00 59.98 58.73 2j5r h ARG 252 Cb 0.39 0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.03 2j5r h ARG 252 CO -0.52 1.00 -0.21 0.78 2.80 0.00 0.00 179.97 183.82 2j5r h GLY 253 N 1.53 0.44 0.75 2.80 0.00 -0.53 -2.02 103.07 106.04 2j5r h GLY 253 Ca -0.05 -0.33 -0.07 0.00 0.00 0.00 0.00 47.33 46.87 2j5r h GLY 253 CO 0.14 0.31 -0.20 -2.08 0.00 0.00 0.00 176.54 174.70 2j5r h VAL 254 N 0.37 1.36 0.00 4.60 2.07 0.91 -2.56 116.25 123.00 2j5r h VAL 254 Ca 0.06 -1.42 -0.01 0.00 0.82 0.00 0.00 66.70 66.15 2j5r h VAL 254 Cb 0.57 1.95 -0.00 0.00 -1.52 0.00 0.00 31.29 32.30 2j5r h VAL 254 CO 0.04 0.42 -0.04 0.00 0.02 0.00 0.00 177.57 178.01 2j5r h ALA 255 N 0.57 1.53 -0.06 1.67 0.00 -1.30 -1.60 119.26 120.07 2j5r h ALA 255 Ca 0.01 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 2j5r h ALA 255 Cb 0.77 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.56 2j5r h ALA 255 CO 0.05 0.05 -0.59 1.25 0.00 0.00 0.00 179.25 180.01 2j5r h HIS 256 N 0.00 0.72 -0.45 0.00 2.76 -1.16 -1.83 115.15 115.19 2j5r h HIS 256 Ca -0.00 -0.35 -0.13 0.00 -2.20 0.00 0.00 60.37 57.69 2j5r h HIS 256 Cb 0.10 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 28.94 2j5r h HIS 256 CO 0.00 1.14 -0.23 0.52 -1.30 0.00 0.00 177.93 178.06 2j5r h MET 257 N 0.09 0.93 -0.55 5.26 2.86 -1.04 -2.14 114.93 120.34 2j5r h MET 257 Ca -0.06 -0.40 -0.01 0.00 -2.06 0.00 0.00 59.70 57.18 2j5r h MET 257 Cb 1.26 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.86 2j5r h MET 257 CO 0.12 1.06 0.32 0.28 1.06 0.00 0.00 176.91 179.75 2j5r h VAL 258 N 0.80 1.17 -0.06 -2.22 2.07 -1.34 -2.32 116.25 114.36 2j5r h VAL 258 Ca 0.10 -0.40 -0.07 0.00 0.82 0.00 0.00 66.70 67.15 2j5r h VAL 258 Cb 0.79 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 2j5r h VAL 258 CO 0.07 0.18 -0.29 -0.08 0.02 0.00 0.00 177.57 177.47 2j5r h GLU 259 N 0.74 0.10 0.00 1.57 4.81 -1.22 -1.16 114.58 119.42 2j5r h GLU 259 Ca 0.20 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.30 2j5r h GLU 259 Cb 0.01 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 2j5r h GLU 259 CO -0.04 0.39 -0.47 0.00 -0.73 0.00 0.00 179.01 178.17 2j5r h ALA 260 N 1.62 1.21 0.02 2.92 0.00 -0.89 -1.59 119.26 122.54 2j5r h ALA 260 Ca 0.01 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 2j5r h ALA 260 Cb 0.56 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2j5r h ALA 260 CO 0.04 0.58 -0.10 0.82 0.00 0.00 0.00 179.25 180.60 2j5r h ILE 261 N 0.00 1.75 -0.51 0.00 2.04 -1.08 -0.49 117.51 119.21 2j5r h ILE 261 Ca -0.00 -2.32 -0.12 0.00 1.00 0.00 0.00 64.86 63.42 2j5r h ILE 261 Cb 0.84 3.32 -0.02 0.00 -0.74 0.00 0.00 36.82 40.22 2j5r h ILE 261 CO 0.06 0.61 -0.17 -0.07 0.00 0.00 0.00 178.15 178.58 2j5r h LEU 262 N -0.90 1.02 -1.25 1.44 3.38 -1.24 -1.79 115.31 115.98 2j5r h LEU 262 Ca -0.02 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.59 2j5r h LEU 262 Cb 1.05 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2j5r h LEU 262 CO 0.02 1.16 0.00 1.41 0.09 0.00 0.00 178.44 181.11 2j5r n HIS 263 N -4.13 0.32 -3.99 1.13 8.25 -0.60 -4.92 115.22 111.27 2j5r n HIS 263 Ca 0.01 -0.16 -0.37 0.00 -0.26 0.00 0.00 57.72 56.94 2j5r n HIS 263 Cb 0.43 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.54 2j5r n HIS 263 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2j5r n ASP 264 N 0.46 -2.96 0.13 0.41 2.03 -0.68 -4.86 116.55 111.09 2j5r n ASP 264 Ca 0.15 -1.17 -0.00 0.00 0.52 0.00 0.00 54.79 54.29 2j5r n ASP 264 Cb 0.34 -2.35 0.13 0.00 -0.72 0.00 0.00 41.12 38.51 2j5r n ASP 264 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 2j5r h THR 265 N -2.17 1.27 0.00 5.18 1.35 -1.27 -3.45 112.91 113.81 2j5r h THR 265 Ca -0.68 -2.28 0.00 0.00 -0.55 0.00 0.00 66.41 62.90 2j5r h THR 265 Cb 1.39 2.29 0.00 0.00 -1.73 0.00 0.00 68.15 70.10 2j5r h THR 265 CO 0.56 0.61 0.00 0.61 -0.25 0.00 0.00 175.52 177.05 2j5r n GLY 266 N 0.65 0.53 3.71 5.82 0.00 0.45 -4.99 105.19 111.36 2j5r n GLY 266 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2j5r n GLY 266 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2j5r n GLU 267 N -2.49 1.71 -3.46 1.61 2.13 -1.24 -4.40 120.64 114.49 2j5r n GLU 267 Ca 0.00 0.62 -0.40 0.00 0.66 0.00 0.00 57.16 58.04 2j5r n GLU 267 Cb 0.04 -2.44 -0.10 0.00 0.27 0.00 0.00 31.44 29.21 2j5r n GLU 267 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2j5r s VAL 268 N -1.28 5.22 0.15 6.31 1.01 -1.26 -1.20 120.40 129.35 2j5r s VAL 268 Ca 0.67 0.11 0.06 0.00 0.00 0.00 0.00 61.98 62.82 2j5r s VAL 268 Cb -0.46 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 2j5r s VAL 268 CO 0.53 0.03 -0.13 -0.76 0.00 0.00 0.00 175.10 174.78 2j5r s LEU 269 N 1.92 2.49 0.15 3.92 1.43 -0.11 -4.89 118.68 123.60 2j5r s LEU 269 Ca 0.10 -0.94 -0.29 0.00 -1.03 0.00 0.00 54.13 51.97 2j5r s LEU 269 Cb -0.16 -0.51 -0.07 0.00 0.03 0.00 0.00 46.19 45.48 2j5r s LEU 269 CO 0.11 -0.22 0.92 -2.16 0.23 0.00 0.00 176.35 175.23 2j5r s PRO 270 N -3.32 4.72 0.04 1.29 0.04 -1.26 -1.13 135.00 135.38 2j5r s PRO 270 Ca 0.15 1.40 -0.26 0.00 0.04 0.00 0.00 61.00 62.34 2j5r s PRO 270 Cb -0.01 -3.33 0.06 0.00 0.04 0.00 0.00 34.50 31.26 2j5r s PRO 270 CO 0.03 0.35 0.60 0.00 0.04 0.00 0.00 177.00 178.02 2j5r s ALA 271 N -0.50 -1.56 -0.27 8.56 0.00 -0.51 -3.63 121.76 123.85 2j5r s ALA 271 Ca 0.43 0.82 -0.16 0.00 0.00 0.00 0.00 51.96 53.05 2j5r s ALA 271 Cb -0.24 0.39 -0.03 0.00 0.00 0.00 0.00 23.12 23.24 2j5r s ALA 271 CO 0.30 -0.53 0.44 0.45 0.00 0.00 0.00 175.76 176.41 2j5r s SER 272 N -1.91 6.33 0.16 0.00 0.15 -0.29 -1.72 113.70 116.42 2j5r s SER 272 Ca -0.06 0.35 -0.03 0.00 0.70 0.00 0.00 55.95 56.92 2j5r s SER 272 Cb -0.01 -2.24 -0.03 0.00 -1.71 0.00 0.00 66.02 62.03 2j5r s SER 272 CO -0.01 -0.24 0.13 0.68 1.20 0.00 0.00 173.24 175.00 2j5r s VAL 273 N 2.18 0.06 0.21 4.45 -7.23 -1.24 0.36 120.40 119.21 2j5r s VAL 273 Ca 0.18 -1.83 -0.30 0.00 -1.81 0.00 0.00 61.98 58.21 2j5r s VAL 273 Cb -0.16 -2.14 -0.10 0.00 0.56 0.00 0.00 36.38 34.54 2j5r s VAL 273 CO 0.10 -0.29 1.42 -0.75 -0.31 0.00 0.00 175.10 175.27 2j5r s LYS 274 N -4.06 4.30 -0.02 4.82 2.47 -1.26 -3.50 119.74 122.48 2j5r s LYS 274 Ca 0.27 2.23 -0.01 0.00 -1.56 0.00 0.00 55.97 56.90 2j5r s LYS 274 Cb 0.06 -3.15 -0.04 0.00 -1.46 0.00 0.00 37.83 33.25 2j5r s LYS 274 CO 0.05 -0.40 0.08 -0.51 0.16 0.00 0.00 175.35 174.72 2j5r s LEU 275 N 0.00 3.89 -0.43 5.43 1.43 -0.06 -5.00 118.68 123.95 2j5r s LEU 275 Ca 0.60 0.16 0.07 0.00 -1.03 0.00 0.00 54.13 53.93 2j5r s LEU 275 Cb -0.40 -2.22 0.23 0.00 0.03 0.00 0.00 46.19 43.83 2j5r s LEU 275 CO 0.39 0.29 0.59 -0.62 0.23 0.00 0.00 176.35 177.23 2j5r n GLU 276 N 1.32 0.62 0.00 1.70 1.02 -1.25 -3.50 120.64 120.55 2j5r n GLU 276 Ca -0.14 -2.77 0.00 0.00 -0.02 0.00 0.00 57.16 54.23 2j5r n GLU 276 Cb 0.53 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.58 2j5r n GLU 276 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2j5r n GLY 277 N 1.83 3.15 3.50 0.62 0.00 -0.26 -4.99 105.19 109.04 2j5r n GLY 277 Ca 0.20 -0.96 -0.55 0.00 0.00 0.00 0.00 46.02 44.70 2j5r n GLY 277 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2j5r n GLU 278 N 0.00 0.29 -1.35 1.61 4.71 -1.23 -0.51 120.64 124.15 2j5r n GLU 278 Ca 0.00 0.10 -0.12 0.00 -0.01 0.00 0.00 57.16 57.13 2j5r n GLU 278 Cb 0.00 -1.54 -0.05 0.00 -1.01 0.00 0.00 31.44 28.84 2j5r n GLU 278 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 2j5r n PHE 279 N 1.39 0.00 -1.18 -0.32 3.01 -1.26 -1.19 117.46 117.91 2j5r n PHE 279 Ca 0.19 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.63 2j5r n PHE 279 Cb 0.14 -2.82 -0.01 0.00 -0.01 0.00 0.00 39.48 36.79 2j5r n PHE 279 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2j5r n GLY 280 N 0.08 0.48 3.18 1.37 0.00 0.33 -5.04 105.19 105.59 2j5r n GLY 280 Ca -0.12 -0.99 -0.21 0.00 0.00 0.00 0.00 46.02 44.70 2j5r n GLY 280 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2j5r s HIS 282 N -2.06 1.38 0.36 1.61 3.76 -0.33 -4.97 115.29 115.04 2j5r s HIS 282 Ca 0.00 -0.39 -0.04 0.00 -0.15 0.00 0.00 55.06 54.48 2j5r s HIS 282 Cb 0.00 -0.80 0.01 0.00 1.11 0.00 0.00 32.58 32.90 2j5r s HIS 282 CO 0.00 0.07 0.54 -1.83 -0.85 0.00 0.00 174.74 172.67 2j5r s GLU 283 N -1.38 2.02 -1.37 1.40 -1.05 -1.26 -1.11 118.70 115.95 2j5r s GLU 283 Ca 0.02 -1.74 -0.06 0.00 -0.15 0.00 0.00 54.97 53.05 2j5r s GLU 283 Cb -0.09 0.48 0.03 0.00 -0.44 0.00 0.00 34.13 34.12 2j5r s GLU 283 CO 0.02 -0.86 0.45 -3.47 0.95 0.00 0.00 175.26 172.34 2j5r n ASP 284 N -1.51 -4.73 -3.61 0.83 2.03 -1.23 -4.92 116.55 103.41 2j5r n ASP 284 Ca -0.01 -0.25 -0.10 0.00 0.52 0.00 0.00 54.79 54.95 2j5r n ASP 284 Cb 0.61 -3.88 -0.03 0.00 -0.72 0.00 0.00 41.12 37.10 2j5r n ASP 284 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2j5r s THR 285 N -2.98 0.00 -0.21 5.18 -1.32 -1.26 -4.57 115.64 110.48 2j5r s THR 285 Ca 0.29 -1.27 -0.10 0.00 -1.21 0.00 0.00 61.69 59.40 2j5r s THR 285 Cb -0.14 -2.38 0.07 0.00 -1.51 0.00 0.00 72.50 68.54 2j5r s THR 285 CO 0.36 0.00 0.49 0.00 -2.21 0.00 0.00 174.62 173.26 2j5r s ALA 286 N -3.47 -1.31 0.08 11.08 0.00 -1.26 -0.88 121.76 126.01 2j5r s ALA 286 Ca 0.20 1.77 -0.26 0.00 0.00 0.00 0.00 51.96 53.67 2j5r s ALA 286 Cb -0.03 -1.16 0.09 0.00 0.00 0.00 0.00 23.12 22.02 2j5r s ALA 286 CO 0.11 -0.43 1.15 -0.59 0.00 0.00 0.00 175.76 176.01 2j5r s PHE 287 N 1.78 0.02 0.25 0.00 -0.71 -1.23 -4.81 117.98 113.28 2j5r s PHE 287 Ca -0.08 -0.27 -0.31 0.00 -1.04 0.00 0.00 56.93 55.23 2j5r s PHE 287 Cb -0.09 0.63 -0.12 0.00 -1.21 0.00 0.00 43.02 42.23 2j5r s PHE 287 CO -0.15 -0.60 1.66 0.20 -1.34 0.00 0.00 175.22 174.99 2j5r s GLY 288 N -3.43 1.66 0.17 1.99 0.00 -0.37 -3.62 107.32 103.72 2j5r s GLY 288 Ca 0.22 1.58 -0.15 0.00 0.00 0.00 0.00 44.72 46.37 2j5r s GLY 288 CO 0.02 2.72 0.44 -1.34 0.00 0.00 0.00 173.10 174.94 2j5r s VAL 289 N 0.59 0.04 0.07 1.40 -7.23 -0.70 -1.60 120.40 112.97 2j5r s VAL 289 Ca 0.69 -0.88 -0.31 0.00 -1.81 0.00 0.00 61.98 59.67 2j5r s VAL 289 Cb -0.49 -1.56 -0.06 0.00 0.56 0.00 0.00 36.38 34.84 2j5r s VAL 289 CO 0.40 -0.20 1.19 -2.84 -0.31 0.00 0.00 175.10 173.33 2j5r s PRO 290 N -3.88 4.45 0.01 4.82 0.02 -1.26 -1.42 135.00 137.73 2j5r s PRO 290 Ca 0.10 1.76 0.00 0.00 0.02 0.00 0.00 61.00 62.88 2j5r s PRO 290 Cb 0.01 -3.34 -0.01 0.00 0.02 0.00 0.00 34.50 31.18 2j5r s PRO 290 CO -0.04 -0.23 -0.02 0.14 -0.33 0.00 0.00 177.00 176.52 2j5r s VAL 291 N 0.95 0.12 -0.33 3.83 -7.23 -0.29 -1.40 120.40 116.05 2j5r s VAL 291 Ca 0.58 -0.31 -0.22 0.00 -1.81 0.00 0.00 61.98 60.21 2j5r s VAL 291 Cb -0.29 -0.16 0.00 0.00 0.56 0.00 0.00 36.38 36.49 2j5r s VAL 291 CO 0.30 -0.12 0.73 -0.60 -0.31 0.00 0.00 175.10 175.09 2j5r s ARG 292 N -0.46 3.84 0.14 4.82 3.52 0.03 -0.93 118.95 129.92 2j5r s ARG 292 Ca -0.04 0.36 -0.18 0.00 -0.13 0.00 0.00 55.73 55.74 2j5r s ARG 292 Cb -0.03 -3.76 -0.07 0.00 -1.56 0.00 0.00 34.95 29.52 2j5r s ARG 292 CO -0.00 -0.71 0.61 -0.51 -0.81 0.00 0.00 175.30 173.88 2j5r s LEU 293 N 2.88 4.43 0.00 -0.88 1.43 -0.34 0.82 118.68 127.01 2j5r s LEU 293 Ca 0.29 1.26 -0.03 0.00 -1.03 0.00 0.00 54.13 54.62 2j5r s LEU 293 Cb -0.14 -3.21 0.01 0.00 0.03 0.00 0.00 46.19 42.88 2j5r s LEU 293 CO 0.14 0.16 0.15 0.61 0.23 0.00 0.00 176.35 177.63 2j5r n GLY 294 N 1.17 1.26 0.49 -3.19 0.00 -0.31 -0.41 105.19 104.20 2j5r n GLY 294 Ca -0.06 -0.96 0.31 0.00 0.00 0.00 0.00 46.02 45.31 2j5r n GLY 294 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2j5r h SER 295 N 0.29 0.05 0.40 1.61 0.02 -1.79 0.45 113.55 114.58 2j5r h SER 295 Ca -0.04 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2j5r h SER 295 Cb 0.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.72 2j5r h SER 295 CO 0.05 0.01 -0.36 0.59 -1.14 0.00 0.00 176.83 175.98 2j5r n ASN 296 N -4.26 0.69 0.00 3.07 3.02 -1.26 -5.00 115.26 111.52 2j5r n ASN 296 Ca 0.23 -0.50 0.00 0.00 -0.03 0.00 0.00 54.58 54.28 2j5r n ASN 296 Cb 1.09 0.16 0.00 0.00 -0.61 0.00 0.00 39.78 40.42 2j5r n ASN 296 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2j5r n GLY 297 N 1.42 0.96 3.60 7.41 0.00 0.16 -4.35 105.19 114.40 2j5r n GLY 297 Ca 0.09 -0.98 -0.43 0.00 0.00 0.00 0.00 46.02 44.70 2j5r n GLY 297 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2j5r s VAL 298 N 0.00 4.48 0.07 1.61 1.01 -0.58 -1.16 120.40 125.84 2j5r s VAL 298 Ca 0.00 1.22 -0.06 0.00 0.00 0.00 0.00 61.98 63.14 2j5r s VAL 298 Cb 0.00 -4.41 -0.29 0.00 0.00 0.00 0.00 36.38 31.68 2j5r s VAL 298 CO 0.00 -0.66 1.13 -0.33 0.00 0.00 0.00 175.10 175.24 2j5r h GLU 299 N 8.65 0.32 -1.99 2.72 4.39 0.10 -3.45 114.58 125.31 2j5r h GLU 299 Ca -0.23 -0.53 0.10 0.00 0.34 0.00 0.00 59.36 59.04 2j5r h GLU 299 Cb 1.07 0.20 -0.18 0.00 -0.10 0.00 0.00 28.75 29.74 2j5r h GLU 299 CO 1.02 1.25 0.51 -1.83 -1.16 0.00 0.00 179.01 178.81 2j5r s GLU 301 N -2.68 0.73 -0.25 2.33 -1.05 -1.23 -4.98 118.70 111.58 2j5r s GLU 301 Ca -0.05 -0.12 -0.07 0.00 -0.15 0.00 0.00 54.97 54.58 2j5r s GLU 301 Cb 0.07 0.34 -0.03 0.00 -0.44 0.00 0.00 34.13 34.07 2j5r s GLU 301 CO 0.89 -0.29 0.07 0.42 0.95 0.00 0.00 175.26 177.30 2j5r s ILE 302 N -2.32 4.29 -0.20 1.83 1.01 -1.26 -0.79 121.20 123.76 2j5r s ILE 302 Ca 0.02 -0.18 -0.19 0.00 0.00 0.00 0.00 60.65 60.31 2j5r s ILE 302 Cb -0.01 -3.00 -0.03 0.00 0.01 0.00 0.00 42.46 39.43 2j5r s ILE 302 CO -0.04 0.35 0.53 -0.69 0.00 0.00 0.00 174.94 175.08 2j5r s VAL 303 N 1.56 5.10 -0.86 2.92 1.01 -0.49 -5.00 120.40 124.64 2j5r s VAL 303 Ca 0.06 0.97 -0.15 0.00 0.00 0.00 0.00 61.98 62.86 2j5r s VAL 303 Cb -0.15 -3.85 0.20 0.00 0.00 0.00 0.00 36.38 32.58 2j5r s VAL 303 CO 0.03 0.17 0.85 -1.61 0.00 0.00 0.00 175.10 174.55 2j5r s GLU 304 N 1.69 3.62 0.49 2.72 2.02 -1.26 -4.21 118.70 123.77 2j5r s GLU 304 Ca 0.24 -2.33 -0.23 0.00 0.02 0.00 0.00 54.97 52.67 2j5r s GLU 304 Cb -0.15 -4.54 -0.06 0.00 0.10 0.00 0.00 34.13 29.47 2j5r s GLU 304 CO 0.10 -1.39 1.35 -1.58 0.02 0.00 0.00 175.26 173.75 2j5r s TRP 305 N 0.66 2.46 -0.68 1.61 0.51 -1.26 -4.93 118.94 117.31 2j5r s TRP 305 Ca 0.21 1.37 -0.23 0.00 -2.12 0.00 0.00 56.10 55.33 2j5r s TRP 305 Cb -0.09 -3.77 0.07 0.00 -0.81 0.00 0.00 33.47 28.87 2j5r s TRP 305 CO -0.09 -2.66 1.00 0.34 -0.51 0.00 0.00 176.95 175.03 2j5r s ASP 306 N -0.85 6.20 0.50 2.95 3.68 -1.26 -5.01 116.67 122.87 2j5r s ASP 306 Ca 0.66 -1.03 -0.06 0.00 2.13 0.00 0.00 52.55 54.26 2j5r s ASP 306 Cb -0.40 -2.43 -0.03 0.00 -1.45 0.00 0.00 42.92 38.61 2j5r s ASP 306 CO 0.49 -1.45 0.81 -0.76 0.13 0.00 0.00 175.17 174.39 2j5r s LEU 307 N 4.10 3.57 0.80 -1.34 1.43 -1.26 -5.08 118.68 120.90 2j5r s LEU 307 Ca 0.24 0.93 -0.12 0.00 -1.03 0.00 0.00 54.13 54.15 2j5r s LEU 307 Cb -0.16 -3.88 0.07 0.00 0.03 0.00 0.00 46.19 42.26 2j5r s LEU 307 CO 0.09 -0.64 1.12 1.51 0.23 0.00 0.00 176.35 178.66 2j5r s ASP 308 N -4.13 4.49 0.18 2.29 -4.77 -1.26 -4.76 116.67 108.72 2j5r s ASP 308 Ca 0.48 1.11 -0.13 0.00 -3.30 0.00 0.00 52.55 50.71 2j5r s ASP 308 Cb -0.10 -1.78 0.18 0.00 -1.09 0.00 0.00 42.92 40.12 2j5r s ASP 308 CO 0.45 -1.95 1.73 0.44 0.70 0.00 0.00 175.17 176.54 2j5r h ASP 309 N -1.08 0.05 -0.63 2.11 3.32 -1.98 0.17 116.42 118.39 2j5r h ASP 309 Ca -0.47 0.08 0.04 0.00 0.02 0.00 0.00 57.03 56.70 2j5r h ASP 309 Cb 1.29 0.10 -0.05 0.00 0.22 0.00 0.00 39.33 40.89 2j5r h ASP 309 CO 0.62 0.06 0.36 0.22 -1.72 0.00 0.00 179.24 178.78 2j5r h TYR 310 N 0.27 0.67 -0.32 4.55 3.20 -2.00 -0.59 116.97 122.75 2j5r h TYR 310 Ca 0.24 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 62.00 2j5r h TYR 310 Cb 0.30 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 2j5r h TYR 310 CO -0.20 0.35 -0.34 0.93 -1.64 0.00 0.00 178.16 177.26 2j5r h GLU 311 N 0.69 0.70 -0.38 1.82 5.08 -1.75 -2.16 114.58 118.59 2j5r h GLU 311 Ca 0.27 -0.33 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 2j5r h GLU 311 Cb 0.11 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2j5r h GLU 311 CO -0.14 0.94 0.04 1.96 -1.00 0.00 0.00 179.01 180.80 2j5r h GLN 312 N 0.59 0.58 0.08 2.33 4.20 -0.23 -1.93 115.11 120.72 2j5r h GLN 312 Ca 0.06 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 2j5r h GLN 312 Cb 0.86 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.55 2j5r h GLN 312 CO 0.07 0.57 -0.04 -0.44 -0.67 0.00 0.00 178.83 178.33 2j5r h ASP 313 N 0.56 -0.09 -0.58 1.46 5.19 -0.79 -2.45 116.42 119.72 2j5r h ASP 313 Ca 0.12 -0.26 -0.00 0.00 -0.62 0.00 0.00 57.03 56.27 2j5r h ASP 313 Cb 0.30 0.02 -0.03 0.00 0.18 0.00 0.00 39.33 39.80 2j5r h ASP 313 CO 0.01 0.22 0.36 -0.07 -3.12 0.00 0.00 179.24 176.63 2j5r h LEU 314 N -0.40 0.71 0.00 1.55 3.38 -1.26 -1.37 115.31 117.92 2j5r h LEU 314 Ca -0.01 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2j5r h LEU 314 Cb 0.34 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2j5r h LEU 314 CO 0.02 0.55 -0.00 -0.03 0.09 0.00 0.00 178.44 179.06 2j5r h MET 315 N 0.82 -0.01 -0.83 1.13 4.05 -1.28 -0.31 114.93 118.50 2j5r h MET 315 Ca 0.21 0.00 0.04 0.00 -0.28 0.00 0.00 59.70 59.68 2j5r h MET 315 Cb -0.03 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 30.72 2j5r h MET 315 CO -0.04 0.28 0.55 0.00 0.23 0.00 0.00 176.91 177.93 2j5r h ALA 316 N 0.70 1.51 -0.20 0.39 0.00 -1.31 0.86 119.26 121.20 2j5r h ALA 316 Ca -0.00 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.93 2j5r h ALA 316 Cb 0.29 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 2j5r h ALA 316 CO 0.00 0.40 -0.16 -0.44 0.00 0.00 0.00 179.25 179.05 2j5r h ASP 317 N 1.01 -0.51 -0.40 0.00 5.19 -0.77 0.11 116.42 121.05 2j5r h ASP 317 Ca 0.34 0.10 -0.07 0.00 -0.62 0.00 0.00 57.03 56.78 2j5r h ASP 317 Cb 0.07 0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.82 2j5r h ASP 317 CO -0.10 -0.20 -0.04 0.00 -3.12 0.00 0.00 179.24 175.77 2j5r h ALA 318 N 0.96 0.54 -0.01 3.45 0.00 0.28 -1.95 119.26 122.53 2j5r h ALA 318 Ca 0.12 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.77 2j5r h ALA 318 Cb 0.34 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 2j5r h ALA 318 CO -0.30 0.36 -0.21 0.00 0.00 0.00 0.00 179.25 179.10 2j5r h ALA 319 N 0.86 -0.26 0.46 0.00 0.00 0.12 -2.41 119.26 118.02 2j5r h ALA 319 Ca 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2j5r h ALA 319 Cb 0.54 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2j5r h ALA 319 CO 0.03 -0.70 -0.22 1.05 0.00 0.00 0.00 179.25 179.40 2j5r h GLU 320 N -0.33 -0.59 -0.50 0.00 4.11 -0.77 -2.09 114.58 114.41 2j5r h GLU 320 Ca 0.06 0.04 0.10 0.00 0.07 0.00 0.00 59.36 59.63 2j5r h GLU 320 Cb 0.41 0.13 -0.10 0.00 0.50 0.00 0.00 28.75 29.69 2j5r h GLU 320 CO -0.20 -0.36 -0.30 -0.22 0.07 0.00 0.00 179.01 178.01 2j5r h LYS 321 N -0.69 -0.17 0.00 1.06 3.64 -1.28 -0.48 116.57 118.65 2j5r h LYS 321 Ca -0.06 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.24 2j5r h LYS 321 Cb 0.51 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 2j5r h LYS 321 CO 0.10 -0.11 -0.41 -0.07 -2.27 0.00 0.00 179.45 176.69 2j5r h LEU 322 N -0.18 0.00 -0.26 5.20 3.38 -1.49 -0.17 115.31 121.81 2j5r h LEU 322 Ca 0.22 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.04 2j5r h LEU 322 Cb 0.53 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 2j5r h LEU 322 CO -0.61 0.41 -0.40 -1.28 0.09 0.00 0.00 178.44 176.66 2j5r h SER 323 N 0.00 0.79 -0.37 -0.43 0.87 -0.53 -1.35 113.55 112.54 2j5r h SER 323 Ca -0.00 -0.52 -0.09 0.00 -1.23 0.00 0.00 61.79 59.95 2j5r h SER 323 Cb 0.82 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.54 2j5r h SER 323 CO 0.05 1.16 -0.12 0.44 -0.53 0.00 0.00 176.83 177.84 2j5r h ASP 324 N 0.45 0.74 -0.73 6.23 3.32 -0.96 -2.67 116.42 122.80 2j5r h ASP 324 Ca 0.02 -0.38 0.04 0.00 0.02 0.00 0.00 57.03 56.73 2j5r h ASP 324 Cb 0.99 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 40.29 2j5r h ASP 324 CO 0.09 0.95 0.45 1.56 -1.72 0.00 0.00 179.24 180.57 2j5r h GLN 325 N 0.52 0.85 -0.26 3.56 4.20 -0.96 -0.75 115.11 122.27 2j5r h GLN 325 Ca 0.09 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 2j5r h GLN 325 Cb 0.64 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 2j5r h GLN 325 CO 0.04 0.56 0.11 -0.92 -0.67 0.00 0.00 178.83 177.95 2j5r h TYR 326 N 0.87 0.39 -0.50 2.96 3.20 -1.20 -2.18 116.97 120.52 2j5r h TYR 326 Ca 0.30 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.15 2j5r h TYR 326 Cb 0.06 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.18 2j5r h TYR 326 CO -0.04 0.39 0.33 0.22 -1.64 0.00 0.00 178.16 177.42 2j5r h ASP 327 N 0.27 0.57 0.20 -2.11 1.82 -1.20 0.75 116.42 116.72 2j5r h ASP 327 Ca 0.09 -0.02 -0.01 0.00 -0.39 0.00 0.00 57.03 56.70 2j5r h ASP 327 Cb 0.17 -0.14 -0.00 0.00 0.68 0.00 0.00 39.33 40.03 2j5r h ASP 327 CO -0.01 0.41 -0.04 0.50 -1.61 0.00 0.00 179.24 178.49 2j5r h LYS 328 N 0.67 0.00 -0.63 0.28 3.11 -0.52 -0.36 116.57 119.12 2j5r h LYS 328 Ca 0.18 0.00 -0.46 0.00 -2.81 0.00 0.00 60.65 57.56 2j5r h LYS 328 Cb -0.08 0.00 -0.35 0.00 -1.00 0.00 0.00 32.23 30.80 2j5r h LYS 328 CO -0.04 0.04 -0.72 0.44 -2.81 0.00 0.00 179.45 176.37 2j5r n ILE 329 N -3.56 2.50 0.54 2.00 -5.35 0.18 -5.09 119.36 110.58 2j5r n ILE 329 Ca -0.02 -4.01 0.04 0.00 -0.27 0.00 0.00 62.75 58.49 2j5r n ILE 329 Cb 0.15 -0.98 0.25 0.00 -1.74 0.00 0.00 39.64 37.32 2j5r n ILE 329 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25