#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ckq s GLN 18 N 0.00 3.29 5.51 1.43 -0.44 -1.26 -4.03 119.66 124.16 1ckq s GLN 18 Ca 0.00 1.52 0.00 0.00 -2.50 0.00 0.00 55.36 54.38 1ckq s GLN 18 Cb 0.00 -4.23 0.00 0.00 -1.64 0.00 0.00 33.01 27.14 1ckq s GLN 18 CO 0.00 -1.91 0.00 0.41 0.50 0.00 0.00 175.29 174.29 1ckq n GLY 19 N 5.48 3.31 0.28 2.59 0.00 -1.26 -1.78 105.19 113.81 1ckq n GLY 19 Ca 0.24 0.26 0.16 0.00 0.00 0.00 0.00 46.02 46.68 1ckq n GLY 19 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1ckq h VAL 20 N 0.00 0.27 0.00 1.61 -1.51 -2.01 -2.74 116.25 111.87 1ckq h VAL 20 Ca 0.00 -0.50 -0.03 0.00 -1.23 0.00 0.00 66.70 64.93 1ckq h VAL 20 Cb 0.00 1.39 -0.00 0.00 -2.13 0.00 0.00 31.29 30.55 1ckq h VAL 20 CO 0.00 0.07 -0.16 0.40 -1.23 0.00 0.00 177.57 176.65 1ckq h ILE 21 N 0.00 1.00 0.02 7.19 2.04 -1.65 -0.88 117.51 125.23 1ckq h ILE 21 Ca -0.00 -0.56 -0.21 0.00 1.00 0.00 0.00 64.86 65.09 1ckq h ILE 21 Cb 0.39 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 1ckq h ILE 21 CO 0.01 0.15 -0.93 1.23 0.00 0.00 0.00 178.15 178.61 1ckq h GLY 22 N 0.55 0.23 0.96 5.37 0.00 -1.62 -2.40 103.07 106.15 1ckq h GLY 22 Ca -0.00 -0.43 -0.13 0.00 0.00 0.00 0.00 47.33 46.76 1ckq h GLY 22 CO 0.02 0.38 -0.37 -2.22 0.00 0.00 0.00 176.54 174.36 1ckq h ILE 23 N 0.10 1.31 -0.18 2.60 2.04 -1.44 -2.36 117.51 119.60 1ckq h ILE 23 Ca -0.05 -1.57 -0.10 0.00 1.00 0.00 0.00 64.86 64.14 1ckq h ILE 23 Cb 1.58 1.75 -0.01 0.00 -0.74 0.00 0.00 36.82 39.40 1ckq h ILE 23 CO 0.14 0.49 -0.31 -0.26 0.00 0.00 0.00 178.15 178.21 1ckq h PHE 24 N 0.37 0.40 -0.28 1.37 0.04 -1.24 -2.83 116.94 114.77 1ckq h PHE 24 Ca 0.02 -0.09 -0.12 0.00 2.80 0.00 0.00 57.97 60.58 1ckq h PHE 24 Cb 0.96 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 39.00 1ckq h PHE 24 CO 0.08 0.63 -0.35 0.78 -0.60 0.00 0.00 178.31 178.86 1ckq h GLY 25 N 1.07 0.66 1.85 -1.45 0.00 -1.35 -2.51 103.07 101.34 1ckq h GLY 25 Ca 0.04 -0.62 -0.11 0.00 0.00 0.00 0.00 47.33 46.64 1ckq h GLY 25 CO 0.05 0.56 -0.44 -1.80 0.00 0.00 0.00 176.54 174.91 1ckq h ASP 26 N 0.51 0.18 0.14 0.19 3.58 -1.24 -1.97 116.42 117.81 1ckq h ASP 26 Ca 0.05 -0.08 -0.15 0.00 0.42 0.00 0.00 57.03 57.28 1ckq h ASP 26 Cb 0.84 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.83 1ckq h ASP 26 CO 0.07 0.60 -0.53 0.22 -2.88 0.00 0.00 179.24 176.73 1ckq h TYR 27 N 0.14 0.53 -0.35 0.28 3.20 -1.34 -0.82 116.97 118.62 1ckq h TYR 27 Ca 0.01 -0.18 -0.12 0.00 3.14 0.00 0.00 58.73 61.57 1ckq h TYR 27 Cb 0.84 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.00 1ckq h TYR 27 CO 0.01 0.87 -0.26 0.00 -1.64 0.00 0.00 178.16 177.13 1ckq h ALA 28 N 1.10 0.51 -0.30 1.82 0.00 -1.19 -3.07 119.26 118.13 1ckq h ALA 28 Ca 0.01 -0.39 -0.14 0.00 0.00 0.00 0.00 54.91 54.39 1ckq h ALA 28 Cb 1.04 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1ckq h ALA 28 CO 0.09 0.51 -0.38 -0.22 0.00 0.00 0.00 179.25 179.25 1ckq h LYS 29 N 0.58 0.70 0.00 0.00 3.64 -1.27 0.05 116.57 120.27 1ckq h LYS 29 Ca 0.07 -0.35 -0.04 0.00 -1.27 0.00 0.00 60.65 59.06 1ckq h LYS 29 Cb 0.83 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.65 1ckq h LYS 29 CO 0.07 0.96 -0.17 0.00 -2.27 0.00 0.00 179.45 178.04 1ckq h ALA 30 N 1.00 1.67 -0.01 5.00 0.00 -1.14 -3.04 119.26 122.75 1ckq h ALA 30 Ca 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1ckq h ALA 30 Cb 0.91 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1ckq h ALA 30 CO 0.08 0.21 -0.27 0.72 0.00 0.00 0.00 179.25 180.00 1ckq n HIS 31 N -4.27 0.00 -3.77 0.00 8.25 -1.16 -5.02 115.22 109.24 1ckq n HIS 31 Ca -0.02 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.15 1ckq n HIS 31 Cb 0.24 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.37 1ckq n HIS 31 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1ckq n ASP 32 N -0.40 -3.39 -4.76 0.41 2.03 -0.01 -4.90 116.55 105.52 1ckq n ASP 32 Ca 0.04 -1.00 -0.39 0.00 0.52 0.00 0.00 54.79 53.96 1ckq n ASP 32 Cb 0.22 -3.31 0.01 0.00 -0.72 0.00 0.00 41.12 37.32 1ckq n ASP 32 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1ckq s LEU 33 N -6.66 4.05 0.85 -2.67 1.43 -1.12 -4.99 118.68 109.56 1ckq s LEU 33 Ca 0.29 2.64 -0.12 0.00 -1.03 0.00 0.00 54.13 55.92 1ckq s LEU 33 Cb -0.11 -4.09 0.10 0.00 0.03 0.00 0.00 46.19 42.13 1ckq s LEU 33 CO 0.87 -1.11 1.10 0.00 0.23 0.00 0.00 176.35 177.44 1ckq s ALA 34 N -1.33 1.95 0.29 4.21 0.00 -1.26 -4.76 121.76 120.87 1ckq s ALA 34 Ca 0.63 -0.25 0.03 0.00 0.00 0.00 0.00 51.96 52.36 1ckq s ALA 34 Cb -0.37 -3.11 0.60 0.00 0.00 0.00 0.00 23.12 20.24 1ckq s ALA 34 CO 0.46 -2.02 1.83 -0.24 0.00 0.00 0.00 175.76 175.80 1ckq h VAL 35 N -1.30 0.89 -0.52 0.00 3.04 -1.96 -0.18 116.25 116.22 1ckq h VAL 35 Ca -0.49 -0.32 -0.07 0.00 -1.01 0.00 0.00 66.70 64.81 1ckq h VAL 35 Cb 1.29 -0.13 -0.02 0.00 -2.01 0.00 0.00 31.29 30.41 1ckq h VAL 35 CO 0.59 0.17 0.05 1.23 -1.01 0.00 0.00 177.57 178.60 1ckq h GLY 36 N 0.94 0.91 2.00 3.17 0.00 -1.77 -1.13 103.07 107.19 1ckq h GLY 36 Ca 0.50 -0.58 -0.04 0.00 0.00 0.00 0.00 47.33 47.21 1ckq h GLY 36 CO -0.27 0.54 -0.17 0.83 0.00 0.00 0.00 176.54 177.47 1ckq h GLU 37 N 0.80 0.00 0.00 4.80 4.39 -1.56 -2.99 114.58 120.02 1ckq h GLU 37 Ca 0.16 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.68 1ckq h GLU 37 Cb 0.40 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.03 1ckq h GLU 37 CO 0.01 0.17 -0.91 0.28 -1.16 0.00 0.00 179.01 177.41 1ckq h VAL 38 N 0.00 1.42 -0.19 3.13 2.07 -0.56 -2.88 116.25 119.24 1ckq h VAL 38 Ca -0.00 -3.04 -0.13 0.00 0.82 0.00 0.00 66.70 64.35 1ckq h VAL 38 Cb 1.01 2.70 -0.01 0.00 -1.52 0.00 0.00 31.29 33.47 1ckq h VAL 38 CO 0.02 0.81 -0.43 0.28 0.02 0.00 0.00 177.57 178.28 1ckq h SER 39 N 0.00 0.47 0.11 0.57 0.02 -1.10 -1.45 113.55 112.17 1ckq h SER 39 Ca -0.02 -0.21 -0.13 0.00 -0.84 0.00 0.00 61.79 60.58 1ckq h SER 39 Cb 1.67 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 64.07 1ckq h SER 39 CO 0.11 0.84 -0.46 0.11 -1.14 0.00 0.00 176.83 176.29 1ckq h LYS 40 N 0.36 0.42 -0.15 3.45 1.57 -1.53 -2.81 116.57 117.88 1ckq h LYS 40 Ca 0.03 -0.22 -0.12 0.00 -1.87 0.00 0.00 60.65 58.47 1ckq h LYS 40 Cb 0.90 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.21 1ckq h LYS 40 CO 0.08 0.79 -0.42 1.25 -0.57 0.00 0.00 179.45 180.58 1ckq h LEU 41 N 0.34 0.36 -0.94 2.94 5.85 -1.25 -2.79 115.31 119.83 1ckq h LEU 41 Ca 0.02 -0.16 -0.09 0.00 0.84 0.00 0.00 57.88 58.49 1ckq h LEU 41 Cb 0.94 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 1ckq h LEU 41 CO 0.08 0.74 -0.24 0.58 -0.34 0.00 0.00 178.44 179.26 1ckq h VAL 42 N 0.29 1.26 -0.28 1.05 2.07 -1.07 -1.94 116.25 117.62 1ckq h VAL 42 Ca 0.02 -1.25 -0.12 0.00 0.82 0.00 0.00 66.70 66.17 1ckq h VAL 42 Cb 0.86 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 1ckq h VAL 42 CO 0.07 0.40 -0.33 0.07 0.02 0.00 0.00 177.57 177.79 1ckq h LYS 43 N 0.44 0.62 -0.45 1.57 2.10 -1.25 -1.28 116.57 118.32 1ckq h LYS 43 Ca 0.07 -0.28 -0.08 0.00 -2.00 0.00 0.00 60.65 58.35 1ckq h LYS 43 Cb 0.66 -0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 31.96 1ckq h LYS 43 CO 0.05 0.87 -0.04 0.87 -2.00 0.00 0.00 179.45 179.19 1ckq h LYS 44 N 0.52 0.82 -0.62 0.07 1.57 -1.26 -0.93 116.57 116.74 1ckq h LYS 44 Ca 0.06 -0.28 -0.07 0.00 -1.87 0.00 0.00 60.65 58.49 1ckq h LYS 44 Cb 0.83 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.05 1ckq h LYS 44 CO 0.07 0.90 0.11 0.00 -0.57 0.00 0.00 179.45 179.95 1ckq h ALA 45 N 0.89 1.02 -0.22 3.86 0.00 -1.19 -1.57 119.26 122.05 1ckq h ALA 45 Ca 0.12 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 1ckq h ALA 45 Cb 0.56 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1ckq h ALA 45 CO 0.03 0.63 -0.41 -0.07 0.00 0.00 0.00 179.25 179.43 1ckq h LEU 46 N 0.94 0.55 -1.02 0.00 3.38 -1.04 -1.41 115.31 116.71 1ckq h LEU 46 Ca 0.19 -0.24 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 1ckq h LEU 46 Cb 0.40 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1ckq h LEU 46 CO 0.01 0.90 -0.49 0.28 0.09 0.00 0.00 178.44 179.23 1ckq h SER 47 N 0.43 0.00 0.08 -0.43 0.02 -0.87 -0.52 113.55 112.27 1ckq h SER 47 Ca 0.04 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.73 1ckq h SER 47 Cb 0.89 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.45 1ckq h SER 47 CO 0.08 0.49 -1.00 -1.13 -1.14 0.00 0.00 176.83 174.12 1ckq h ASN 48 N 0.00 0.82 0.57 3.07 -1.24 -0.98 -3.08 115.58 114.74 1ckq h ASN 48 Ca -0.00 -0.65 -0.27 0.00 0.71 0.00 0.00 56.30 56.09 1ckq h ASN 48 Cb 0.87 -0.25 0.01 0.00 0.73 0.00 0.00 38.32 39.67 1ckq h ASN 48 CO 0.06 1.45 -1.21 -0.33 -1.29 0.00 0.00 177.43 176.11 1ckq h GLU 49 N 0.36 0.31 -3.04 6.67 4.39 -1.17 -3.39 114.58 118.71 1ckq h GLU 49 Ca -0.11 -0.49 -0.62 0.00 0.34 0.00 0.00 59.36 58.48 1ckq h GLU 49 Cb 1.65 0.18 -0.41 0.00 -0.10 0.00 0.00 28.75 30.07 1ckq h GLU 49 CO 0.19 1.22 -0.65 0.71 -1.16 0.00 0.00 179.01 179.32 1ckq s TYR 50 N -2.74 3.02 0.17 4.33 2.02 -0.21 -4.93 117.35 119.00 1ckq s TYR 50 Ca -0.05 -3.09 0.30 0.00 -0.37 0.00 0.00 57.07 53.87 1ckq s TYR 50 Cb 0.07 -2.42 1.25 0.00 -0.40 0.00 0.00 41.96 40.46 1ckq s TYR 50 CO 0.89 -0.64 1.95 -1.00 -1.57 0.00 0.00 175.55 175.17 1ckq h PRO 51 N 5.78 0.00 0.00 -1.71 0.13 -1.75 -2.82 132.00 131.63 1ckq h PRO 51 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1ckq h PRO 51 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1ckq h PRO 51 CO 0.64 0.10 0.00 1.04 -0.23 0.00 0.00 178.00 179.55 1ckq n GLN 52 N -3.27 0.16 -4.07 0.86 3.00 -1.26 -4.82 117.38 107.99 1ckq n GLN 52 Ca -0.00 0.22 -0.26 0.00 -0.01 0.00 0.00 57.00 56.95 1ckq n GLN 52 Cb 0.34 -1.72 -0.05 0.00 0.00 0.00 0.00 30.24 28.80 1ckq n GLN 52 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1ckq s LEU 53 N -4.02 3.87 -0.19 1.08 1.43 -1.07 -4.80 118.68 114.98 1ckq s LEU 53 Ca 0.10 -0.11 -0.04 0.00 -1.03 0.00 0.00 54.13 53.05 1ckq s LEU 53 Cb 0.13 -2.47 -0.02 0.00 0.03 0.00 0.00 46.19 43.86 1ckq s LEU 53 CO 0.50 0.06 -0.02 -0.44 0.23 0.00 0.00 176.35 176.68 1ckq s SER 54 N -3.19 4.69 0.24 2.29 0.01 -1.26 -4.93 113.70 111.55 1ckq s SER 54 Ca 0.32 -0.22 0.11 0.00 1.31 0.00 0.00 55.95 57.46 1ckq s SER 54 Cb -0.10 -1.79 -0.05 0.00 0.21 0.00 0.00 66.02 64.29 1ckq s SER 54 CO 0.24 0.08 -0.21 -0.36 0.41 0.00 0.00 173.24 173.40 1ckq s PHE 55 N 0.92 2.22 0.04 2.43 0.08 -1.26 -2.13 117.98 120.28 1ckq s PHE 55 Ca 0.00 -0.37 -0.17 0.00 0.12 0.00 0.00 56.93 56.52 1ckq s PHE 55 Cb -0.14 -1.02 0.03 0.00 -0.57 0.00 0.00 43.02 41.32 1ckq s PHE 55 CO 0.01 0.60 0.39 -0.98 -0.10 0.00 0.00 175.22 175.14 1ckq s ARG 56 N -3.20 0.89 -0.06 0.44 1.70 -0.87 -5.00 118.95 112.85 1ckq s ARG 56 Ca 0.26 -0.40 0.04 0.00 -0.47 0.00 0.00 55.73 55.16 1ckq s ARG 56 Cb -0.06 0.40 -0.02 0.00 -0.57 0.00 0.00 34.95 34.70 1ckq s ARG 56 CO 0.12 -0.30 -0.16 -0.47 -1.08 0.00 0.00 175.30 173.41 1ckq s TYR 57 N -2.49 2.66 -0.01 5.89 5.04 -1.26 -1.43 117.35 125.75 1ckq s TYR 57 Ca -0.05 -0.29 0.03 0.00 -2.44 0.00 0.00 57.07 54.32 1ckq s TYR 57 Cb -0.01 -1.64 -0.01 0.00 0.35 0.00 0.00 41.96 40.65 1ckq s TYR 57 CO -0.03 0.08 -0.09 0.50 -1.34 0.00 0.00 175.55 174.68 1ckq s ARG 58 N -0.54 0.78 0.00 4.97 3.52 0.33 -4.97 118.95 123.04 1ckq s ARG 58 Ca 0.07 -0.33 0.23 0.00 -0.13 0.00 0.00 55.73 55.57 1ckq s ARG 58 Cb -0.11 -0.75 0.07 0.00 -1.56 0.00 0.00 34.95 32.59 1ckq s ARG 58 CO 0.01 0.19 1.13 -0.40 -0.81 0.00 0.00 175.30 175.42 1ckq n ASP 59 N 2.90 1.57 -3.60 -2.12 5.68 -1.26 0.42 116.55 120.13 1ckq n ASP 59 Ca -0.14 -1.24 -0.12 0.00 -0.50 0.00 0.00 54.79 52.79 1ckq n ASP 59 Cb 0.56 0.55 -0.05 0.00 -1.14 0.00 0.00 41.12 41.04 1ckq n ASP 59 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1ckq s SER 60 N -2.64 -0.34 -0.08 -1.12 0.15 -1.26 -4.33 113.70 104.09 1ckq s SER 60 Ca 0.16 -0.08 -0.02 0.00 0.70 0.00 0.00 55.95 56.71 1ckq s SER 60 Cb 0.18 0.48 0.04 0.00 -1.71 0.00 0.00 66.02 65.01 1ckq s SER 60 CO 0.64 -0.79 0.05 -0.63 1.20 0.00 0.00 173.24 173.72 1ckq s ILE 61 N -3.14 0.01 0.55 6.45 1.01 -1.06 -5.02 121.20 119.99 1ckq s ILE 61 Ca -0.01 0.23 -0.17 0.00 0.00 0.00 0.00 60.65 60.70 1ckq s ILE 61 Cb 0.00 -0.33 -0.06 0.00 0.01 0.00 0.00 42.46 42.08 1ckq s ILE 61 CO -0.07 0.10 1.03 -1.59 0.00 0.00 0.00 174.94 174.41 1ckq s LYS 62 N 2.12 3.60 0.61 2.79 -2.85 -1.26 -1.97 119.74 122.77 1ckq s LYS 62 Ca 0.04 1.17 0.35 0.00 -1.00 0.00 0.00 55.97 56.53 1ckq s LYS 62 Cb -0.13 -2.08 1.99 0.00 -2.06 0.00 0.00 37.83 35.56 1ckq s LYS 62 CO -0.05 -0.58 2.27 0.87 0.10 0.00 0.00 175.35 177.97 1ckq h LYS 63 N 0.83 0.00 -0.05 1.78 1.57 -1.26 -1.93 116.57 117.52 1ckq h LYS 63 Ca -0.47 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.21 1ckq h LYS 63 Cb 1.21 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 1ckq h LYS 63 CO 0.59 0.01 -0.39 1.15 -0.57 0.00 0.00 179.45 180.24 1ckq h THR 64 N 0.00 1.29 -0.17 -0.16 2.02 -1.86 -1.58 112.91 112.45 1ckq h THR 64 Ca -0.00 -1.41 -0.09 0.00 0.77 0.00 0.00 66.41 65.67 1ckq h THR 64 Cb 0.06 1.69 -0.00 0.00 -1.74 0.00 0.00 68.15 68.16 1ckq h THR 64 CO 0.00 0.41 -0.26 -0.33 0.37 0.00 0.00 175.52 175.71 1ckq h GLU 65 N 0.09 0.48 -0.47 6.66 5.08 -1.73 -2.24 114.58 122.45 1ckq h GLU 65 Ca 0.01 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.07 1ckq h GLU 65 Cb 0.74 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 1ckq h GLU 65 CO 0.06 0.88 0.24 0.82 -1.00 0.00 0.00 179.01 180.01 1ckq h ILE 66 N 0.12 1.18 -0.45 3.13 2.04 -1.49 -2.18 117.51 119.85 1ckq h ILE 66 Ca 0.02 -0.49 -0.04 0.00 1.00 0.00 0.00 64.86 65.34 1ckq h ILE 66 Cb 0.84 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 1ckq h ILE 66 CO 0.06 0.19 0.10 0.78 0.00 0.00 0.00 178.15 179.28 1ckq h ASN 67 N 0.62 0.63 -0.61 1.72 2.35 -1.32 -1.21 115.58 117.77 1ckq h ASN 67 Ca 0.16 -0.10 -0.08 0.00 -0.55 0.00 0.00 56.30 55.73 1ckq h ASN 67 Cb 0.09 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 1ckq h ASN 67 CO -0.02 0.64 0.07 -0.08 -1.65 0.00 0.00 177.43 176.39 1ckq h GLU 68 N 0.66 1.04 -0.17 0.81 4.57 -1.09 -1.25 114.58 119.14 1ckq h GLU 68 Ca 0.15 -0.30 -0.11 0.00 -1.18 0.00 0.00 59.36 57.92 1ckq h GLU 68 Cb 0.27 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 1ckq h GLU 68 CO -0.00 0.98 -0.38 0.00 -1.18 0.00 0.00 179.01 178.43 1ckq h ALA 69 N 1.01 1.03 -0.10 2.92 0.00 -0.95 -2.90 119.26 120.26 1ckq h ALA 69 Ca 0.18 -0.41 -0.14 0.00 0.00 0.00 0.00 54.91 54.54 1ckq h ALA 69 Cb 0.47 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1ckq h ALA 69 CO 0.02 0.60 -0.55 1.25 0.00 0.00 0.00 179.25 180.57 1ckq h LEU 70 N 0.32 0.34 -0.94 0.00 5.85 -0.91 -3.12 115.31 116.86 1ckq h LEU 70 Ca 0.03 -0.18 -0.11 0.00 0.84 0.00 0.00 57.88 58.46 1ckq h LEU 70 Cb 0.81 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 1ckq h LEU 70 CO 0.07 0.83 -0.49 0.11 -0.34 0.00 0.00 178.44 178.61 1ckq h LYS 71 N 0.24 0.09 0.00 1.25 1.57 -1.04 -2.83 116.57 115.85 1ckq h LYS 71 Ca 0.00 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 1ckq h LYS 71 Cb 1.05 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 1ckq h LYS 71 CO 0.09 0.57 -0.29 0.87 -0.57 0.00 0.00 179.45 180.11 1ckq h LYS 72 N 0.07 0.00 0.05 3.15 1.57 -1.46 -3.17 116.57 116.78 1ckq h LYS 72 Ca 0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1ckq h LYS 72 Cb 0.90 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.22 1ckq h LYS 72 CO 0.07 0.29 -0.30 0.82 -0.57 0.00 0.00 179.45 179.77 1ckq h ILE 73 N 0.00 1.69 -2.90 1.86 2.04 -1.57 -3.46 117.51 115.16 1ckq h ILE 73 Ca -0.00 -2.40 -0.16 0.00 1.00 0.00 0.00 64.86 63.30 1ckq h ILE 73 Cb 0.60 3.30 -0.28 0.00 -0.74 0.00 0.00 36.82 39.70 1ckq h ILE 73 CO 0.04 0.64 -0.41 -0.62 0.00 0.00 0.00 178.15 177.80 1ckq s ASP 74 N -6.49 -0.35 0.64 1.72 -1.08 -1.08 -5.05 116.67 104.98 1ckq s ASP 74 Ca -0.17 0.65 0.40 0.00 -0.52 0.00 0.00 52.55 52.91 1ckq s ASP 74 Cb -0.01 0.55 2.23 0.00 -1.46 0.00 0.00 42.92 44.23 1ckq s ASP 74 CO 0.74 -0.17 2.33 1.55 0.52 0.00 0.00 175.17 180.15 1ckq h PRO 75 N 6.96 0.00 -0.22 4.34 0.13 -1.84 -2.34 132.00 139.04 1ckq h PRO 75 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1ckq h PRO 75 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1ckq h PRO 75 CO 0.34 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.86 1ckq n ASP 76 N -3.31 2.10 -4.82 1.44 8.00 -1.26 -4.91 116.55 113.79 1ckq n ASP 76 Ca -0.03 -1.79 -0.30 0.00 0.71 0.00 0.00 54.79 53.39 1ckq n ASP 76 Cb 0.08 -0.14 -0.06 0.00 -0.02 0.00 0.00 41.12 40.99 1ckq n ASP 76 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ckq s LEU 77 N -1.55 3.95 -0.96 0.64 1.02 -0.88 -4.55 118.68 116.34 1ckq s LEU 77 Ca 0.33 0.04 -0.01 0.00 0.02 0.00 0.00 54.13 54.51 1ckq s LEU 77 Cb 0.19 -2.60 0.00 0.00 0.02 0.00 0.00 46.19 43.80 1ckq s LEU 77 CO 0.27 0.15 0.19 0.61 0.02 0.00 0.00 176.35 177.59 1ckq n GLY 78 N 0.25 -0.07 2.06 -3.19 0.00 -1.26 -3.65 105.19 99.33 1ckq n GLY 78 Ca -0.08 -0.31 -0.25 0.00 0.00 0.00 0.00 46.02 45.38 1ckq n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ckq n GLY 79 N -1.11 5.37 2.83 -0.02 0.00 -1.26 -4.80 105.19 106.21 1ckq n GLY 79 Ca -0.10 -1.81 -0.14 0.00 0.00 0.00 0.00 46.02 43.97 1ckq n GLY 79 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ckq s THR 80 N -4.08 -0.04 -0.30 2.61 2.01 -1.26 -5.12 115.64 109.46 1ckq s THR 80 Ca 0.57 0.16 -0.06 0.00 0.31 0.00 0.00 61.69 62.67 1ckq s THR 80 Cb 0.47 -0.11 0.18 0.00 0.01 0.00 0.00 72.50 73.05 1ckq s THR 80 CO 0.03 0.07 0.76 -0.22 -0.69 0.00 0.00 174.62 174.57 1ckq s LEU 81 N 0.85 -1.04 -0.11 4.42 2.96 -1.26 -5.05 118.68 119.46 1ckq s LEU 81 Ca -0.07 0.77 -0.04 0.00 -0.22 0.00 0.00 54.13 54.57 1ckq s LEU 81 Cb -0.10 1.92 -0.26 0.00 0.50 0.00 0.00 46.19 48.26 1ckq s LEU 81 CO -0.03 -0.19 0.40 0.49 -1.32 0.00 0.00 176.35 175.69 1ckq n PHE 82 N 5.41 1.21 -3.88 5.38 3.72 -1.26 -4.74 117.46 123.30 1ckq n PHE 82 Ca -0.04 0.27 -0.35 0.00 -0.05 0.00 0.00 57.45 57.28 1ckq n PHE 82 Cb 0.52 -1.16 -0.13 0.00 -0.94 0.00 0.00 39.48 37.76 1ckq n PHE 82 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1ckq s VAL 83 N -2.56 2.97 0.25 -4.37 1.01 -1.26 -5.02 120.40 111.42 1ckq s VAL 83 Ca -0.20 -1.82 -0.01 0.00 0.00 0.00 0.00 61.98 59.95 1ckq s VAL 83 Cb 0.07 -2.91 0.36 0.00 0.00 0.00 0.00 36.38 33.90 1ckq s VAL 83 CO 0.77 -0.42 1.31 -1.20 0.00 0.00 0.00 175.10 175.56 1ckq n SER 84 N 4.54 -0.16 -2.49 3.32 7.64 -1.26 -1.53 113.62 123.69 1ckq n SER 84 Ca -0.06 1.42 -0.35 0.00 1.01 0.00 0.00 58.87 60.89 1ckq n SER 84 Cb 0.42 -0.49 0.06 0.00 -1.01 0.00 0.00 64.21 63.19 1ckq n SER 84 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1ckq n ASN 85 N -5.25 7.17 -4.81 6.43 6.94 -1.26 -4.77 115.26 119.71 1ckq n ASN 85 Ca 0.18 -3.80 -0.33 0.00 -0.02 0.00 0.00 54.58 50.61 1ckq n ASN 85 Cb 0.57 -0.91 -0.01 0.00 -2.36 0.00 0.00 39.78 37.07 1ckq n ASN 85 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 1ckq s SER 86 N -1.90 6.14 0.34 0.53 0.01 -0.58 -4.94 113.70 113.30 1ckq s SER 86 Ca 0.58 1.76 -0.17 0.00 1.31 0.00 0.00 55.95 59.44 1ckq s SER 86 Cb 0.47 -2.53 0.06 0.00 0.21 0.00 0.00 66.02 64.23 1ckq s SER 86 CO -0.14 -0.92 0.84 -0.94 0.41 0.00 0.00 173.24 172.49 1ckq s SER 87 N -2.71 0.00 -0.01 2.44 1.04 -1.26 -0.71 113.70 112.49 1ckq s SER 87 Ca 0.63 -1.05 0.04 0.00 0.48 0.00 0.00 55.95 56.05 1ckq s SER 87 Cb -0.14 0.78 -0.01 0.00 0.10 0.00 0.00 66.02 66.75 1ckq s SER 87 CO 0.32 -1.55 -0.12 0.27 0.98 0.00 0.00 173.24 173.14 1ckq s ILE 88 N -2.30 0.94 -0.52 -1.02 -4.36 -0.83 -4.88 121.20 108.23 1ckq s ILE 88 Ca 0.17 -0.50 0.03 0.00 -0.26 0.00 0.00 60.65 60.09 1ckq s ILE 88 Cb -0.05 -0.79 0.15 0.00 1.25 0.00 0.00 42.46 43.02 1ckq s ILE 88 CO 0.10 0.27 0.32 -0.54 0.24 0.00 0.00 174.94 175.32 1ckq s LYS 89 N -0.22 1.66 0.17 0.37 1.02 -1.26 -2.56 119.74 118.91 1ckq s LYS 89 Ca 0.04 -2.46 -0.31 0.00 0.02 0.00 0.00 55.97 53.26 1ckq s LYS 89 Cb -0.05 -2.68 -0.09 0.00 -0.52 0.00 0.00 37.83 34.49 1ckq s LYS 89 CO -0.00 -1.21 1.36 -2.14 -0.92 0.00 0.00 175.35 172.44 1ckq s PRO 90 N -0.24 4.35 0.12 -1.68 0.02 -1.26 -4.86 135.00 131.44 1ckq s PRO 90 Ca 0.21 2.09 0.09 0.00 0.02 0.00 0.00 61.00 63.41 1ckq s PRO 90 Cb -0.17 -3.21 0.46 0.00 0.02 0.00 0.00 34.50 31.60 1ckq s PRO 90 CO -0.06 -0.35 1.27 -0.40 -0.33 0.00 0.00 177.00 177.13 1ckq n ASP 91 N 3.17 0.21 0.00 2.53 5.75 -1.26 -1.06 116.55 125.89 1ckq n ASP 91 Ca 0.08 0.60 0.10 0.00 -0.01 0.00 0.00 54.79 55.56 1ckq n ASP 91 Cb 0.42 -0.62 -0.08 0.00 -1.03 0.00 0.00 41.12 39.81 1ckq n ASP 91 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ckq n GLY 92 N -1.33 -1.03 7.00 6.12 0.00 -0.64 -3.39 105.19 111.92 1ckq n GLY 92 Ca -0.00 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1ckq n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ckq n GLY 93 N 1.50 -1.61 2.88 -0.02 0.00 -0.22 -4.47 105.19 103.25 1ckq n GLY 93 Ca 0.04 -1.32 -0.12 0.00 0.00 0.00 0.00 46.02 44.61 1ckq n GLY 93 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ckq s ILE 94 N 0.00 -0.01 -0.06 -0.61 1.09 0.17 -3.22 121.20 118.56 1ckq s ILE 94 Ca 0.00 0.02 0.03 0.00 -1.10 0.00 0.00 60.65 59.60 1ckq s ILE 94 Cb 0.00 -0.04 -0.02 0.00 -1.06 0.00 0.00 42.46 41.34 1ckq s ILE 94 CO 0.00 0.01 -0.15 -0.69 -0.10 0.00 0.00 174.94 174.01 1ckq s VAL 95 N 0.12 2.97 0.12 2.92 1.01 -0.06 -0.51 120.40 126.97 1ckq s VAL 95 Ca -0.01 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.24 1ckq s VAL 95 Cb -0.01 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 1ckq s VAL 95 CO -0.00 0.58 -0.05 -1.61 0.00 0.00 0.00 175.10 174.02 1ckq s GLU 96 N -0.48 0.92 0.06 2.72 2.02 -0.52 -0.69 118.70 122.74 1ckq s GLU 96 Ca 0.06 -1.40 0.05 0.00 0.02 0.00 0.00 54.97 53.70 1ckq s GLU 96 Cb -0.12 -0.23 -0.03 0.00 0.10 0.00 0.00 34.13 33.85 1ckq s GLU 96 CO 0.02 -0.05 -0.13 0.54 0.02 0.00 0.00 175.26 175.66 1ckq s VAL 97 N -3.63 1.01 -0.18 2.63 0.11 -0.60 -2.05 120.40 117.69 1ckq s VAL 97 Ca 0.16 -1.19 -0.15 0.00 -2.93 0.00 0.00 61.98 57.87 1ckq s VAL 97 Cb 0.05 -0.97 -0.04 0.00 -1.53 0.00 0.00 36.38 33.89 1ckq s VAL 97 CO -0.02 -0.20 0.35 -0.75 -3.33 0.00 0.00 175.10 171.15 1ckq s LYS 98 N -1.56 4.22 0.43 1.54 2.20 -0.91 -0.65 119.74 125.01 1ckq s LYS 98 Ca -0.02 0.15 -0.04 0.00 -0.36 0.00 0.00 55.97 55.70 1ckq s LYS 98 Cb -0.09 -3.48 0.09 0.00 -1.51 0.00 0.00 37.83 32.84 1ckq s LYS 98 CO 0.02 0.11 0.58 -0.40 -0.36 0.00 0.00 175.35 175.29 1ckq n ASP 99 N 3.99 0.37 0.00 1.43 5.68 -0.57 -4.70 116.55 122.76 1ckq n ASP 99 Ca -0.10 -1.41 0.07 0.00 -0.50 0.00 0.00 54.79 52.84 1ckq n ASP 99 Cb 0.51 -0.41 0.31 0.00 -1.14 0.00 0.00 41.12 40.39 1ckq n ASP 99 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1ckq n ASP 100 N -3.19 0.00 -1.01 -1.12 8.00 -0.10 -2.19 116.55 116.94 1ckq n ASP 100 Ca 0.08 0.35 0.10 0.00 0.71 0.00 0.00 54.79 56.02 1ckq n ASP 100 Cb 0.29 -0.42 0.22 0.00 -0.02 0.00 0.00 41.12 41.19 1ckq n ASP 100 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1ckq n TYR 101 N -1.42 0.59 -0.99 1.24 4.01 -1.26 -4.96 117.16 114.38 1ckq n TYR 101 Ca 0.04 -0.37 0.00 0.00 -0.16 0.00 0.00 57.90 57.41 1ckq n TYR 101 Cb 0.14 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.16 1ckq n TYR 101 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ckq n GLY 102 N 1.20 0.70 3.90 2.72 0.00 -0.93 -5.03 105.19 107.75 1ckq n GLY 102 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1ckq n GLY 102 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ckq s GLU 103 N -0.07 3.51 -0.04 1.61 0.41 -1.26 -4.85 118.70 118.00 1ckq s GLU 103 Ca 0.00 -0.21 -0.24 0.00 -0.41 0.00 0.00 54.97 54.11 1ckq s GLU 103 Cb 0.00 -3.07 -0.04 0.00 -1.78 0.00 0.00 34.13 29.24 1ckq s GLU 103 CO 0.00 0.64 0.72 -1.58 -0.49 0.00 0.00 175.26 174.56 1ckq s TRP 104 N -1.35 3.61 -0.13 1.61 0.52 -1.26 -1.51 118.94 120.42 1ckq s TRP 104 Ca 0.29 1.31 0.02 0.00 0.02 0.00 0.00 56.10 57.74 1ckq s TRP 104 Cb -0.13 -2.82 0.00 0.00 -1.15 0.00 0.00 33.47 29.38 1ckq s TRP 104 CO 0.19 0.12 -0.20 1.03 0.02 0.00 0.00 176.95 178.10 1ckq s ARG 105 N 0.65 3.10 0.13 4.98 1.81 0.18 -4.93 118.95 124.86 1ckq s ARG 105 Ca 0.38 -0.83 -0.31 0.00 -1.72 0.00 0.00 55.73 53.25 1ckq s ARG 105 Cb -0.18 -2.45 -0.09 0.00 -0.45 0.00 0.00 34.95 31.78 1ckq s ARG 105 CO 0.19 0.07 1.45 0.54 -0.68 0.00 0.00 175.30 176.87 1ckq s VAL 106 N 0.63 3.09 -0.04 3.52 0.11 -1.26 -1.56 120.40 124.89 1ckq s VAL 106 Ca -0.11 0.78 0.13 0.00 -2.93 0.00 0.00 61.98 59.85 1ckq s VAL 106 Cb -0.16 -3.50 -0.20 0.00 -1.53 0.00 0.00 36.38 30.99 1ckq s VAL 106 CO 0.02 0.06 0.24 0.52 -3.33 0.00 0.00 175.10 172.61 1ckq n VAL 107 N 3.98 0.20 -3.63 2.04 0.31 0.13 -4.92 118.33 116.45 1ckq n VAL 107 Ca 0.12 -0.36 -0.12 0.00 -0.01 0.00 0.00 64.34 63.97 1ckq n VAL 107 Cb 0.41 -0.01 -0.07 0.00 -0.91 0.00 0.00 33.84 33.26 1ckq n VAL 107 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1ckq s LEU 108 N -4.17 -0.63 -0.09 7.52 2.96 -1.08 -4.30 118.68 118.89 1ckq s LEU 108 Ca -0.05 1.22 -0.03 0.00 -0.22 0.00 0.00 54.13 55.05 1ckq s LEU 108 Cb 0.08 2.24 0.04 0.00 0.50 0.00 0.00 46.19 49.05 1ckq s LEU 108 CO 0.55 -0.22 0.06 -0.69 -1.32 0.00 0.00 176.35 174.74 1ckq s VAL 109 N 0.30 -0.04 0.18 1.68 1.01 -0.85 -0.88 120.40 121.80 1ckq s VAL 109 Ca 0.01 0.19 0.09 0.00 0.00 0.00 0.00 61.98 62.27 1ckq s VAL 109 Cb -0.05 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 35.95 1ckq s VAL 109 CO -0.02 0.03 -0.09 0.00 0.00 0.00 0.00 175.10 175.03 1ckq s ALA 110 N 2.13 2.95 -0.08 5.51 0.00 -1.20 -1.03 121.76 130.04 1ckq s ALA 110 Ca 0.04 -1.46 -0.18 0.00 0.00 0.00 0.00 51.96 50.36 1ckq s ALA 110 Cb -0.13 -0.75 0.04 0.00 0.00 0.00 0.00 23.12 22.27 1ckq s ALA 110 CO -0.05 0.48 0.44 -2.00 0.00 0.00 0.00 175.76 174.62 1ckq s GLU 111 N -2.80 0.69 -0.06 0.00 2.56 -0.33 -1.63 118.70 117.14 1ckq s GLU 111 Ca 0.25 0.21 -0.01 0.00 0.00 0.00 0.00 54.97 55.42 1ckq s GLU 111 Cb -0.09 0.32 0.03 0.00 2.00 0.00 0.00 34.13 36.39 1ckq s GLU 111 CO 0.15 -0.16 0.00 0.00 -0.56 0.00 0.00 175.26 174.69 1ckq s ALA 112 N -0.70 0.59 0.19 6.30 0.00 -1.26 -0.83 121.76 126.05 1ckq s ALA 112 Ca -0.08 -0.04 0.11 0.00 0.00 0.00 0.00 51.96 51.95 1ckq s ALA 112 Cb -0.03 -0.63 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 1ckq s ALA 112 CO 0.04 -0.35 -0.19 0.15 0.00 0.00 0.00 175.76 175.41 1ckq s LYS 113 N 1.73 1.72 0.00 0.00 -0.14 -0.18 -4.96 119.74 117.91 1ckq s LYS 113 Ca 0.01 -1.45 0.03 0.00 -1.36 0.00 0.00 55.97 53.20 1ckq s LYS 113 Cb -0.13 -1.95 -0.01 0.00 -1.68 0.00 0.00 37.83 34.06 1ckq s LYS 113 CO -0.04 0.41 -0.08 -1.01 -0.76 0.00 0.00 175.35 173.87 1ckq s HIS 114 N -1.72 0.75 -0.28 3.18 3.76 -1.26 -2.38 115.29 117.34 1ckq s HIS 114 Ca 0.23 -0.19 -0.19 0.00 -0.15 0.00 0.00 55.06 54.76 1ckq s HIS 114 Cb -0.08 -0.48 0.11 0.00 1.11 0.00 0.00 32.58 33.25 1ckq s HIS 114 CO 0.12 -0.01 0.87 -1.14 -0.85 0.00 0.00 174.74 173.72 1ckq s GLN 115 N -0.42 0.55 0.00 1.40 0.74 -0.78 -5.00 119.66 116.16 1ckq s GLN 115 Ca 0.02 0.86 0.00 0.00 0.05 0.00 0.00 55.36 56.29 1ckq s GLN 115 Cb -0.04 0.16 0.00 0.00 1.10 0.00 0.00 33.01 34.23 1ckq s GLN 115 CO -0.00 -0.10 0.00 0.41 -0.55 0.00 0.00 175.29 175.05 1ckq n GLY 116 N 3.52 0.73 1.43 2.59 0.00 -1.26 -2.71 105.19 109.49 1ckq n GLY 116 Ca -0.17 -0.95 -0.11 0.00 0.00 0.00 0.00 46.02 44.79 1ckq n GLY 116 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ckq n LYS 117 N 2.21 2.40 -0.03 1.61 2.85 -1.26 -2.28 118.16 123.67 1ckq n LYS 117 Ca 0.00 -3.52 -0.16 0.00 -1.05 0.00 0.00 58.31 53.58 1ckq n LYS 117 Cb 0.00 -1.96 -0.06 0.00 -0.65 0.00 0.00 35.03 32.36 1ckq n LYS 117 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 1ckq h ASP 118 N 1.45 0.92 -0.57 -5.58 3.32 -1.94 -2.36 116.42 111.66 1ckq h ASP 118 Ca 0.26 -0.58 -0.03 0.00 0.02 0.00 0.00 57.03 56.71 1ckq h ASP 118 Cb 1.42 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 40.67 1ckq h ASP 118 CO 0.55 1.38 0.26 0.40 -1.72 0.00 0.00 179.24 180.10 1ckq h ILE 119 N 0.55 1.21 -0.21 0.35 2.04 -1.96 -0.91 117.51 118.59 1ckq h ILE 119 Ca -0.04 -0.63 -0.17 0.00 1.00 0.00 0.00 64.86 65.02 1ckq h ILE 119 Cb 1.35 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 37.89 1ckq h ILE 119 CO 0.15 0.26 -0.56 0.40 0.00 0.00 0.00 178.15 178.40 1ckq h ILE 120 N 0.86 1.31 -0.16 -0.67 2.04 -1.90 -2.26 117.51 116.74 1ckq h ILE 120 Ca 0.21 -1.80 -0.04 0.00 1.00 0.00 0.00 64.86 64.23 1ckq h ILE 120 Cb 0.14 1.75 -0.00 0.00 -0.74 0.00 0.00 36.82 37.97 1ckq h ILE 120 CO -0.02 0.56 -0.08 0.78 0.00 0.00 0.00 178.15 179.40 1ckq h ASN 121 N 0.48 0.34 1.09 1.72 -0.26 -0.92 -3.16 115.58 114.88 1ckq h ASN 121 Ca 0.01 -0.41 0.00 0.00 -0.56 0.00 0.00 56.30 55.34 1ckq h ASN 121 Cb 1.12 -0.09 0.00 0.00 -1.06 0.00 0.00 38.32 38.29 1ckq h ASN 121 CO 0.11 0.68 0.00 2.30 -1.06 0.00 0.00 177.43 179.46 1ckq n ILE 122 N -4.63 0.49 0.20 2.81 -5.35 -0.39 -2.24 119.36 110.25 1ckq n ILE 122 Ca -0.06 -0.05 0.06 0.00 -0.27 0.00 0.00 62.75 62.44 1ckq n ILE 122 Cb 0.30 -0.70 0.38 0.00 -1.74 0.00 0.00 39.64 37.88 1ckq n ILE 122 CO 0.00 0.00 0.00 0.03 -1.76 0.00 0.00 176.55 174.82 1ckq h ARG 123 N 0.00 0.00 0.00 6.28 2.47 -1.37 -3.30 114.38 118.47 1ckq h ARG 123 Ca 0.00 0.00 -0.37 0.00 -1.26 0.00 0.00 59.98 58.35 1ckq h ARG 123 Cb 0.54 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.84 1ckq h ARG 123 CO 0.00 0.34 -0.16 0.09 0.56 0.00 0.00 179.97 180.80 1ckq n ASN 124 N -3.56 2.06 -2.18 7.04 5.03 -0.95 -4.19 115.26 118.50 1ckq n ASN 124 Ca -0.00 -2.20 -0.27 0.00 0.87 0.00 0.00 54.58 52.98 1ckq n ASN 124 Cb 0.47 -0.05 0.12 0.00 -1.02 0.00 0.00 39.78 39.30 1ckq n ASN 124 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ckq n GLY 125 N 0.71 4.91 3.69 7.41 0.00 -1.26 -4.56 105.19 116.09 1ckq n GLY 125 Ca -0.00 -1.54 -0.40 0.00 0.00 0.00 0.00 46.02 44.08 1ckq n GLY 125 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ckq s LEU 126 N -3.22 4.23 -0.18 0.99 2.96 -1.18 -5.06 118.68 117.23 1ckq s LEU 126 Ca 0.55 0.96 -0.05 0.00 -0.22 0.00 0.00 54.13 55.37 1ckq s LEU 126 Cb 0.45 -2.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.18 1ckq s LEU 126 CO 0.04 -0.18 -0.00 -0.76 -1.32 0.00 0.00 176.35 174.13 1ckq s LEU 127 N 1.32 3.35 0.00 -0.68 2.01 -1.26 -4.54 118.68 118.87 1ckq s LEU 127 Ca 0.31 -0.13 0.08 0.00 0.01 0.00 0.00 54.13 54.41 1ckq s LEU 127 Cb -0.16 -1.83 0.08 0.00 0.01 0.00 0.00 46.19 44.29 1ckq s LEU 127 CO 0.13 0.12 0.69 1.33 1.01 0.00 0.00 176.35 179.63 1ckq n VAL 128 N 3.85 0.00 0.00 -1.59 0.24 -0.07 -4.49 118.33 116.27 1ckq n VAL 128 Ca -0.17 -1.84 0.00 0.00 -2.04 0.00 0.00 64.34 60.28 1ckq n VAL 128 Cb 0.52 -0.46 0.00 0.00 -1.47 0.00 0.00 33.84 32.43 1ckq n VAL 128 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ckq n GLY 129 N -1.53 2.39 0.25 7.63 0.00 -1.26 -1.20 105.19 111.47 1ckq n GLY 129 Ca 0.12 -1.97 0.07 0.00 0.00 0.00 0.00 46.02 44.25 1ckq n GLY 129 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1ckq h LYS 130 N 0.00 0.00 0.00 1.61 -0.00 -2.00 -2.01 116.57 114.16 1ckq h LYS 130 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.65 1ckq h LYS 130 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.23 1ckq h LYS 130 CO 0.00 0.05 -1.22 0.54 -0.00 0.00 0.00 179.45 178.82 1ckq n ARG 131 N -4.46 0.34 -2.56 0.07 1.74 -1.26 -5.00 116.66 105.52 1ckq n ARG 131 Ca -0.03 -0.04 -0.07 0.00 -0.77 0.00 0.00 57.85 56.95 1ckq n ARG 131 Cb 0.13 -1.58 0.04 0.00 -1.02 0.00 0.00 32.46 30.03 1ckq n ARG 131 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ckq n GLY 132 N 1.36 0.12 0.00 -0.13 0.00 -0.76 -4.97 105.19 100.81 1ckq n GLY 132 Ca 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1ckq n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ckq n ASP 133 N -1.85 0.00 -4.85 1.61 5.75 -1.04 -4.75 116.55 111.41 1ckq n ASP 133 Ca -0.11 -1.00 -0.37 0.00 -0.01 0.00 0.00 54.79 53.30 1ckq n ASP 133 Cb 0.57 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.60 1ckq n ASP 133 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1ckq s GLN 134 N 0.00 3.86 0.10 0.11 -0.21 -0.34 -4.90 119.66 118.28 1ckq s GLN 134 Ca 0.00 0.33 0.02 0.00 0.02 0.00 0.00 55.36 55.73 1ckq s GLN 134 Cb 0.00 -3.12 -0.24 0.00 1.00 0.00 0.00 33.01 30.65 1ckq s GLN 134 CO 0.00 0.63 1.22 -0.44 -2.12 0.00 0.00 175.29 174.58 1ckq h ASP 135 N 4.26 0.19 -2.84 5.90 3.32 -1.90 -0.15 116.42 125.20 1ckq h ASP 135 Ca -0.51 -0.21 -0.63 0.00 0.02 0.00 0.00 57.03 55.71 1ckq h ASP 135 Cb 1.21 -0.06 -0.15 0.00 0.22 0.00 0.00 39.33 40.54 1ckq h ASP 135 CO 0.63 1.16 -0.76 -0.76 -1.72 0.00 0.00 179.24 177.80 1ckq s LEU 136 N -6.91 2.72 -0.13 1.55 1.43 -1.26 -4.71 118.68 111.37 1ckq s LEU 136 Ca -0.01 -0.78 -0.03 0.00 -1.03 0.00 0.00 54.13 52.27 1ckq s LEU 136 Cb 0.09 -1.38 -0.03 0.00 0.03 0.00 0.00 46.19 44.90 1ckq s LEU 136 CO 0.85 0.09 -0.01 -0.32 0.23 0.00 0.00 176.35 177.19 1ckq s MET 137 N -2.98 3.43 0.03 1.70 -2.45 -1.26 -4.81 119.30 112.96 1ckq s MET 137 Ca 0.25 -0.44 -0.30 0.00 -1.25 0.00 0.00 55.69 53.94 1ckq s MET 137 Cb -0.07 -2.91 -0.08 0.00 1.25 0.00 0.00 34.83 33.01 1ckq s MET 137 CO 0.14 0.44 1.85 0.00 1.05 0.00 0.00 175.02 178.49 1ckq s ALA 138 N -0.16 3.63 0.30 4.11 0.00 -1.26 -4.86 121.76 123.51 1ckq s ALA 138 Ca 0.04 1.25 -0.30 0.00 0.00 0.00 0.00 51.96 52.95 1ckq s ALA 138 Cb -0.13 -3.80 -0.11 0.00 0.00 0.00 0.00 23.12 19.08 1ckq s ALA 138 CO 0.02 -1.43 1.60 0.00 0.00 0.00 0.00 175.76 175.95 1ckq s ALA 139 N 3.91 3.74 0.82 0.00 0.00 -0.95 -5.03 121.76 124.26 1ckq s ALA 139 Ca 0.82 1.59 0.00 0.00 0.00 0.00 0.00 51.96 54.37 1ckq s ALA 139 Cb -0.41 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.06 1ckq s ALA 139 CO 0.37 -1.00 0.00 0.41 0.00 0.00 0.00 175.76 175.54 1ckq n GLY 140 N 2.08 -0.43 0.11 0.00 0.00 -1.26 -5.01 105.19 100.69 1ckq n GLY 140 Ca 0.08 -1.73 0.01 0.00 0.00 0.00 0.00 46.02 44.38 1ckq n GLY 140 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ckq n ASN 141 N -1.58 0.82 0.26 1.61 6.94 -1.26 -4.83 115.26 117.22 1ckq n ASN 141 Ca 0.00 -1.73 0.17 0.00 -0.02 0.00 0.00 54.58 53.00 1ckq n ASN 141 Cb 0.00 -0.10 0.92 0.00 -2.36 0.00 0.00 39.78 38.25 1ckq n ASN 141 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ckq h ALA 142 N 0.00 1.01 0.00 -2.53 0.00 -2.00 -1.35 119.26 114.39 1ckq h ALA 142 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ckq h ALA 142 Cb 0.95 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1ckq h ALA 142 CO 0.00 -0.01 0.00 0.97 0.00 0.00 0.00 179.25 180.21 1ckq h ILE 143 N 0.00 0.00 0.00 0.00 6.09 -1.94 -2.85 117.51 118.80 1ckq h ILE 143 Ca 0.00 -0.27 -0.00 0.00 -1.37 0.00 0.00 64.86 63.22 1ckq h ILE 143 Cb 0.02 1.06 -0.00 0.00 0.47 0.00 0.00 36.82 38.38 1ckq h ILE 143 CO 0.00 0.00 -0.01 -0.33 -3.07 0.00 0.00 178.15 174.74 1ckq h GLU 144 N 0.00 0.00 0.00 2.19 5.08 -1.54 -2.62 114.58 117.69 1ckq h GLU 144 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1ckq h GLU 144 Cb 0.34 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 1ckq h GLU 144 CO 0.00 0.01 -0.03 0.00 -1.00 0.00 0.00 179.01 177.99 1ckq h ARG 145 N 0.00 0.00 -0.90 2.33 3.08 -1.73 -2.83 114.38 114.33 1ckq h ARG 145 Ca -0.00 0.00 0.24 0.00 0.07 0.00 0.00 59.98 60.29 1ckq h ARG 145 Cb 0.37 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.37 1ckq h ARG 145 CO 0.00 0.03 0.63 0.77 -1.07 0.00 0.00 179.97 180.33 1ckq h SER 146 N 0.00 0.14 0.20 7.04 0.02 -1.71 -1.31 113.55 117.93 1ckq h SER 146 Ca -0.00 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 1ckq h SER 146 Cb 0.11 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.63 1ckq h SER 146 CO 0.00 0.05 -0.08 0.45 -1.14 0.00 0.00 176.83 176.11 1ckq h HIS 147 N 0.13 0.00 0.52 3.45 3.86 -1.75 -3.15 115.15 118.22 1ckq h HIS 147 Ca 0.44 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.63 1ckq h HIS 147 Cb 1.54 0.00 0.01 0.00 1.06 0.00 0.00 27.41 30.01 1ckq h HIS 147 CO -0.00 0.08 -0.25 -0.22 0.86 0.00 0.00 177.93 178.40 1ckq h LYS 148 N 0.00 -0.68 -0.28 2.45 3.64 -1.47 -1.38 116.57 118.85 1ckq h LYS 148 Ca -0.00 0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1ckq h LYS 148 Cb 0.20 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 1ckq h LYS 148 CO 0.01 -0.40 0.05 -0.91 -2.27 0.00 0.00 179.45 175.93 1ckq h ASN 149 N -0.82 0.37 -0.48 4.20 2.35 -1.74 -0.97 115.58 118.50 1ckq h ASN 149 Ca -0.07 -0.05 -0.07 0.00 -0.55 0.00 0.00 56.30 55.56 1ckq h ASN 149 Cb 0.59 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.84 1ckq h ASN 149 CO 0.12 0.39 0.04 0.40 -1.65 0.00 0.00 177.43 176.73 1ckq h ILE 150 N 0.40 1.25 -0.12 2.81 2.04 -1.49 -1.28 117.51 121.12 1ckq h ILE 150 Ca 0.09 -1.00 -0.18 0.00 1.00 0.00 0.00 64.86 64.77 1ckq h ILE 150 Cb 0.19 0.80 -0.00 0.00 -0.74 0.00 0.00 36.82 37.07 1ckq h ILE 150 CO -0.00 0.36 -0.69 -1.28 0.00 0.00 0.00 178.15 176.54 1ckq h SER 151 N 0.82 0.58 -0.14 1.72 0.87 -0.47 -2.10 113.55 114.84 1ckq h SER 151 Ca 0.16 -0.36 -0.02 0.00 -1.23 0.00 0.00 61.79 60.34 1ckq h SER 151 Cb 0.44 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.22 1ckq h SER 151 CO 0.02 1.10 -0.01 -0.33 -0.53 0.00 0.00 176.83 177.08 1ckq h GLU 152 N 0.35 0.25 -0.20 2.24 4.39 -0.95 -1.98 114.58 118.68 1ckq h GLU 152 Ca -0.02 -0.08 -0.09 0.00 0.34 0.00 0.00 59.36 59.50 1ckq h GLU 152 Cb 1.26 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.88 1ckq h GLU 152 CO 0.12 0.50 -0.28 0.82 -1.16 0.00 0.00 179.01 179.01 1ckq h ILE 153 N -0.02 1.27 -0.37 3.13 1.08 -1.28 -1.52 117.51 119.78 1ckq h ILE 153 Ca 0.04 -1.27 -0.08 0.00 -0.39 0.00 0.00 64.86 63.16 1ckq h ILE 153 Cb 0.39 1.42 -0.02 0.00 -3.07 0.00 0.00 36.82 35.54 1ckq h ILE 153 CO 0.01 0.39 -0.11 0.00 -0.69 0.00 0.00 178.15 177.75 1ckq h ALA 154 N 1.37 1.11 -0.07 1.87 0.00 -1.27 -0.21 119.26 122.06 1ckq h ALA 154 Ca 0.05 -0.29 -0.17 0.00 0.00 0.00 0.00 54.91 54.49 1ckq h ALA 154 Cb 0.67 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1ckq h ALA 154 CO 0.05 0.55 -0.71 -0.91 0.00 0.00 0.00 179.25 178.23 1ckq h ASN 155 N 0.59 0.40 0.49 0.00 4.21 -1.04 -1.75 115.58 118.48 1ckq h ASN 155 Ca 0.11 -0.26 -0.11 0.00 1.21 0.00 0.00 56.30 57.25 1ckq h ASN 155 Cb 0.54 -0.12 -0.02 0.00 -1.12 0.00 0.00 38.32 37.61 1ckq h ASN 155 CO 0.03 0.98 -0.51 0.15 -1.29 0.00 0.00 177.43 176.79 1ckq h PHE 156 N 0.23 0.03 -0.34 1.19 3.57 -0.79 -3.14 116.94 117.70 1ckq h PHE 156 Ca -0.02 -0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.32 1ckq h PHE 156 Cb 1.27 -0.01 -0.08 0.00 2.79 0.00 0.00 35.95 39.92 1ckq h PHE 156 CO 0.04 0.54 -0.04 -1.33 -2.23 0.00 0.00 178.31 175.28 1ckq n MET 157 N -3.93 2.10 0.30 1.11 2.81 -0.14 -4.70 117.12 114.67 1ckq n MET 157 Ca -0.01 -3.08 0.16 0.00 -1.81 0.00 0.00 57.70 52.96 1ckq n MET 157 Cb 0.53 -1.83 0.92 0.00 -0.71 0.00 0.00 33.22 32.13 1ckq n MET 157 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1ckq h LEU 158 N 1.17 0.00 0.00 4.03 5.85 -1.26 -1.29 115.31 123.80 1ckq h LEU 158 Ca 0.17 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1ckq h LEU 158 Cb 1.62 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.65 1ckq h LEU 158 CO 0.36 0.04 -0.61 -1.54 -0.34 0.00 0.00 178.44 176.35 1ckq n SER 159 N -3.54 0.60 -4.90 1.25 3.41 -1.26 -4.94 113.62 104.25 1ckq n SER 159 Ca -0.02 -0.39 -0.29 0.00 -0.26 0.00 0.00 58.87 57.91 1ckq n SER 159 Cb 0.14 0.40 0.03 0.00 -0.26 0.00 0.00 64.21 64.53 1ckq n SER 159 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1ckq s GLU 160 N -3.01 3.06 0.00 4.33 0.41 -0.49 -5.00 118.70 118.00 1ckq s GLU 160 Ca 0.10 0.31 0.20 0.00 -0.41 0.00 0.00 54.97 55.17 1ckq s GLU 160 Cb 0.17 -2.15 0.16 0.00 -1.78 0.00 0.00 34.13 30.53 1ckq s GLU 160 CO 0.73 -0.77 1.13 0.43 -0.49 0.00 0.00 175.26 176.30 1ckq n SER 161 N -2.75 2.67 -4.20 -0.19 7.64 -1.26 -4.96 113.62 110.57 1ckq n SER 161 Ca 0.05 -1.83 -0.15 0.00 1.01 0.00 0.00 58.87 57.95 1ckq n SER 161 Cb 0.57 -0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.66 1ckq n SER 161 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 1ckq s HIS 162 N -1.66 1.17 -0.36 1.43 -3.43 -1.26 -2.44 115.29 108.74 1ckq s HIS 162 Ca 0.23 -0.65 0.01 0.00 -0.80 0.00 0.00 55.06 53.85 1ckq s HIS 162 Cb 0.17 -0.62 0.15 0.00 -1.43 0.00 0.00 32.58 30.84 1ckq s HIS 162 CO 0.25 0.04 0.24 0.12 -2.00 0.00 0.00 174.74 173.40 1ckq s PHE 163 N -2.54 0.72 -0.05 0.38 5.36 -0.42 -4.94 117.98 116.49 1ckq s PHE 163 Ca 0.08 -1.71 -0.05 0.00 -0.96 0.00 0.00 56.93 54.30 1ckq s PHE 163 Cb -0.02 -0.88 -0.19 0.00 -0.34 0.00 0.00 43.02 41.59 1ckq s PHE 163 CO 0.01 -0.84 3.28 -0.35 -1.46 0.00 0.00 175.22 175.86 1ckq n PRO 164 N 3.83 1.90 -3.26 10.12 -0.04 -1.26 -4.43 135.00 141.87 1ckq n PRO 164 Ca 0.15 -1.02 -0.40 0.00 -0.04 0.00 0.00 63.50 62.20 1ckq n PRO 164 Cb 0.39 -1.87 -0.08 0.00 -0.04 0.00 0.00 33.50 31.91 1ckq n PRO 164 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1ckq s TYR 165 N 0.51 3.25 -0.14 0.54 6.14 -1.26 -2.00 117.35 124.39 1ckq s TYR 165 Ca 0.56 0.56 -0.00 0.00 0.64 0.00 0.00 57.07 58.83 1ckq s TYR 165 Cb 0.28 -2.72 -0.01 0.00 0.42 0.00 0.00 41.96 39.93 1ckq s TYR 165 CO -0.02 -0.30 -0.14 0.08 0.64 0.00 0.00 175.55 175.81 1ckq s VAL 166 N 2.29 2.88 -0.13 3.14 1.01 -0.20 -1.08 120.40 128.30 1ckq s VAL 166 Ca 0.20 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.50 1ckq s VAL 166 Cb -0.16 -2.22 0.01 0.00 0.00 0.00 0.00 36.38 34.02 1ckq s VAL 166 CO 0.10 0.52 -0.22 -0.22 0.00 0.00 0.00 175.10 175.28 1ckq s LEU 167 N 0.60 2.07 -0.20 3.92 2.96 -0.39 -1.19 118.68 126.45 1ckq s LEU 167 Ca -0.08 -0.58 -0.06 0.00 -0.22 0.00 0.00 54.13 53.19 1ckq s LEU 167 Cb -0.16 -1.41 -0.03 0.00 0.50 0.00 0.00 46.19 45.10 1ckq s LEU 167 CO 0.03 0.08 0.02 -0.36 -1.32 0.00 0.00 176.35 174.80 1ckq s PHE 168 N 0.78 3.08 0.06 5.38 0.08 -0.01 -1.08 117.98 126.27 1ckq s PHE 168 Ca -0.08 -0.33 0.02 0.00 0.12 0.00 0.00 56.93 56.66 1ckq s PHE 168 Cb -0.16 -2.09 -0.04 0.00 -0.57 0.00 0.00 43.02 40.16 1ckq s PHE 168 CO -0.01 -0.17 0.07 -0.51 -0.10 0.00 0.00 175.22 174.50 1ckq s LEU 169 N 0.92 3.77 -0.16 -0.37 2.01 -0.03 -1.00 118.68 123.81 1ckq s LEU 169 Ca 0.02 0.01 -0.21 0.00 0.01 0.00 0.00 54.13 53.96 1ckq s LEU 169 Cb -0.14 -2.39 0.05 0.00 0.01 0.00 0.00 46.19 43.72 1ckq s LEU 169 CO 0.02 0.20 0.55 -0.70 1.01 0.00 0.00 176.35 177.43 1ckq s GLU 170 N -2.19 0.73 0.00 1.70 2.12 -1.00 -2.77 118.70 117.30 1ckq s GLU 170 Ca 0.27 0.56 0.00 0.00 0.36 0.00 0.00 54.97 56.16 1ckq s GLU 170 Cb -0.12 0.35 0.00 0.00 0.26 0.00 0.00 34.13 34.62 1ckq s GLU 170 CO 0.19 -0.14 0.00 0.41 -0.54 0.00 0.00 175.26 175.18 1ckq n GLY 171 N 2.24 1.18 0.01 -1.50 0.00 -1.26 -1.86 105.19 104.00 1ckq n GLY 171 Ca -0.16 -2.10 0.15 0.00 0.00 0.00 0.00 46.02 43.92 1ckq n GLY 171 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ckq n SER 172 N 0.00 0.06 -0.90 1.61 3.41 -0.96 -3.27 113.62 113.57 1ckq n SER 172 Ca 0.00 -0.23 0.11 0.00 -0.26 0.00 0.00 58.87 58.49 1ckq n SER 172 Cb 0.00 -0.25 0.28 0.00 -0.26 0.00 0.00 64.21 63.98 1ckq n SER 172 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1ckq n ASN 173 N -1.24 2.67 -2.61 4.04 5.03 -1.10 -4.38 115.26 117.67 1ckq n ASN 173 Ca 0.15 -1.89 -0.13 0.00 0.87 0.00 0.00 54.58 53.57 1ckq n ASN 173 Cb 0.24 -0.21 0.02 0.00 -1.02 0.00 0.00 39.78 38.81 1ckq n ASN 173 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 1ckq n PHE 174 N 0.97 1.77 -3.02 3.10 3.72 -1.20 -0.93 117.46 121.86 1ckq n PHE 174 Ca 0.18 -2.82 -0.37 0.00 -0.05 0.00 0.00 57.45 54.38 1ckq n PHE 174 Cb 0.47 -0.29 -0.06 0.00 -0.94 0.00 0.00 39.48 38.66 1ckq n PHE 174 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1ckq s LEU 175 N -3.28 4.42 0.00 4.37 1.43 -1.26 -4.02 118.68 120.34 1ckq s LEU 175 Ca 0.33 1.55 0.00 0.00 -1.03 0.00 0.00 54.13 54.98 1ckq s LEU 175 Cb 0.44 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 43.10 1ckq s LEU 175 CO -0.02 0.07 0.52 0.35 0.23 0.00 0.00 176.35 177.50 1ckq n THR 176 N 0.96 0.03 -3.63 5.49 -2.24 -1.14 -4.83 114.28 108.93 1ckq n THR 176 Ca -0.03 -0.52 -0.12 0.00 -2.27 0.00 0.00 64.05 61.12 1ckq n THR 176 Cb 0.50 0.98 -0.05 0.00 -2.10 0.00 0.00 70.33 69.66 1ckq n THR 176 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1ckq s GLU 177 N -0.03 1.00 0.38 -0.78 -1.05 -1.25 -4.99 118.70 111.98 1ckq s GLU 177 Ca 0.00 -0.48 -0.26 0.00 -0.15 0.00 0.00 54.97 54.08 1ckq s GLU 177 Cb 0.00 0.45 -0.09 0.00 -0.44 0.00 0.00 34.13 34.05 1ckq s GLU 177 CO 0.00 -0.37 1.12 -0.80 0.95 0.00 0.00 175.26 176.17 1ckq s ASN 178 N -2.33 6.71 0.04 0.83 -0.87 -1.26 -4.35 114.94 113.71 1ckq s ASN 178 Ca -0.02 2.25 0.01 0.00 -1.57 0.00 0.00 52.86 53.53 1ckq s ASN 178 Cb 0.00 -2.61 -0.03 0.00 -0.02 0.00 0.00 41.25 38.60 1ckq s ASN 178 CO -0.06 -0.53 -0.06 0.27 -2.57 0.00 0.00 177.10 174.14 1ckq s ILE 179 N -1.44 0.41 -0.17 0.60 -4.36 -0.92 -5.01 121.20 110.32 1ckq s ILE 179 Ca 0.55 -1.16 0.01 0.00 -0.26 0.00 0.00 60.65 59.79 1ckq s ILE 179 Cb -0.28 -0.67 0.02 0.00 1.25 0.00 0.00 42.46 42.77 1ckq s ILE 179 CO 0.36 -0.50 -0.19 -0.44 0.24 0.00 0.00 174.94 174.41 1ckq s SER 180 N -1.78 3.02 -0.20 4.36 0.01 -1.26 -1.10 113.70 116.76 1ckq s SER 180 Ca -0.08 -0.61 -0.04 0.00 1.31 0.00 0.00 55.95 56.53 1ckq s SER 180 Cb -0.07 -1.41 -0.01 0.00 0.21 0.00 0.00 66.02 64.74 1ckq s SER 180 CO -0.01 -0.00 -0.04 -0.63 0.41 0.00 0.00 173.24 172.96 1ckq s ILE 181 N 1.28 3.45 -0.19 1.44 -1.09 -0.16 -4.95 121.20 120.99 1ckq s ILE 181 Ca 0.04 -0.48 -0.17 0.00 -2.23 0.00 0.00 60.65 57.80 1ckq s ILE 181 Cb -0.13 -2.55 -0.04 0.00 -1.58 0.00 0.00 42.46 38.16 1ckq s ILE 181 CO -0.11 0.44 0.47 -0.89 -1.23 0.00 0.00 174.94 173.62 1ckq s THR 182 N 1.23 5.15 0.61 2.92 2.01 -1.26 -0.55 115.64 125.75 1ckq s THR 182 Ca 0.03 0.87 -0.03 0.00 0.31 0.00 0.00 61.69 62.87 1ckq s THR 182 Cb -0.14 -3.80 0.04 0.00 0.01 0.00 0.00 72.50 68.60 1ckq s THR 182 CO -0.01 0.23 0.88 0.00 -0.69 0.00 0.00 174.62 175.03 1ckq s ARG 183 N 1.35 2.51 0.56 4.92 1.70 -0.98 -4.67 118.95 124.33 1ckq s ARG 183 Ca 0.23 -0.42 0.38 0.00 -0.47 0.00 0.00 55.73 55.45 1ckq s ARG 183 Cb -0.15 -2.33 2.04 0.00 -0.57 0.00 0.00 34.95 33.94 1ckq s ARG 183 CO 0.09 -0.89 2.15 -1.35 -1.08 0.00 0.00 175.30 174.22 1ckq h PRO 184 N -0.22 0.00 0.00 3.89 0.11 -1.80 -1.10 132.00 132.88 1ckq h PRO 184 Ca -0.44 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.56 1ckq h PRO 184 Cb 1.29 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.39 1ckq h PRO 184 CO 0.57 0.00 -0.51 -0.44 -0.21 0.00 0.00 178.00 177.41 1ckq h ASP 185 N 0.00 0.00 0.00 -2.05 5.19 -1.93 -3.47 116.42 114.16 1ckq h ASP 185 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1ckq h ASP 185 Cb 0.01 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.52 1ckq h ASP 185 CO 0.00 0.51 0.00 0.61 -3.12 0.00 0.00 179.24 177.24 1ckq n GLY 186 N 0.70 2.50 3.71 2.75 0.00 -0.41 -5.07 105.19 109.37 1ckq n GLY 186 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1ckq n GLY 186 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ckq s ARG 187 N -0.34 4.28 -0.40 1.61 3.52 -1.26 -4.73 118.95 121.63 1ckq s ARG 187 Ca 0.00 2.18 -0.19 0.00 -0.13 0.00 0.00 55.73 57.59 1ckq s ARG 187 Cb 0.00 -3.25 0.01 0.00 -1.56 0.00 0.00 34.95 30.15 1ckq s ARG 187 CO 0.00 -0.51 0.56 0.14 -0.81 0.00 0.00 175.30 174.68 1ckq s VAL 188 N 1.25 4.94 -0.28 7.11 -7.23 -1.26 -2.32 120.40 122.61 1ckq s VAL 188 Ca 0.67 0.12 -0.26 0.00 -1.81 0.00 0.00 61.98 60.70 1ckq s VAL 188 Cb -0.39 -4.09 0.00 0.00 0.56 0.00 0.00 36.38 32.46 1ckq s VAL 188 CO 0.30 -0.43 0.89 -0.69 -0.31 0.00 0.00 175.10 174.86 1ckq s VAL 189 N 2.55 4.74 -0.30 1.32 1.01 0.29 -4.89 120.40 125.12 1ckq s VAL 189 Ca 0.19 1.52 -0.13 0.00 0.00 0.00 0.00 61.98 63.57 1ckq s VAL 189 Cb -0.15 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 1ckq s VAL 189 CO 0.16 -0.22 0.26 0.20 0.00 0.00 0.00 175.10 175.50 1ckq s ASN 190 N 1.48 6.10 -0.18 3.32 0.01 -1.26 -0.99 114.94 123.42 1ckq s ASN 190 Ca 0.37 -0.04 -0.08 0.00 -0.71 0.00 0.00 52.86 52.41 1ckq s ASN 190 Cb -0.14 -2.15 -0.04 0.00 0.41 0.00 0.00 41.25 39.32 1ckq s ASN 190 CO 0.10 -0.15 0.07 -0.76 -1.51 0.00 0.00 177.10 174.86 1ckq s LEU 191 N 1.86 3.89 -0.21 0.60 1.43 -0.25 -5.02 118.68 120.97 1ckq s LEU 191 Ca 0.09 0.12 -0.07 0.00 -1.03 0.00 0.00 54.13 53.24 1ckq s LEU 191 Cb -0.16 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 44.04 1ckq s LEU 191 CO 0.11 0.18 0.07 -1.61 0.23 0.00 0.00 176.35 175.33 1ckq s GLU 192 N 0.31 3.83 0.49 1.70 2.02 -1.26 -2.16 118.70 123.64 1ckq s GLU 192 Ca 0.04 -0.41 0.15 0.00 0.02 0.00 0.00 54.97 54.77 1ckq s GLU 192 Cb -0.12 -3.27 1.18 0.00 0.10 0.00 0.00 34.13 32.03 1ckq s GLU 192 CO -0.00 0.06 2.11 0.10 0.02 0.00 0.00 175.26 177.55 1ckq h TYR 193 N 7.41 0.13 -0.03 1.61 -0.00 -1.88 -2.35 116.97 121.86 1ckq h TYR 193 Ca -0.37 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.37 1ckq h TYR 193 Cb 1.17 -0.04 0.00 0.00 -0.00 0.00 0.00 36.73 37.86 1ckq h TYR 193 CO 0.62 0.08 0.00 0.27 -0.00 0.00 0.00 178.16 179.13 1ckq n ASN 194 N -4.51 0.45 -4.65 0.10 6.94 -1.26 -4.59 115.26 107.74 1ckq n ASN 194 Ca 0.00 -1.39 -0.43 0.00 -0.02 0.00 0.00 54.58 52.74 1ckq n ASN 194 Cb 0.14 -0.02 -0.02 0.00 -2.36 0.00 0.00 39.78 37.52 1ckq n ASN 194 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1ckq s SER 195 N -1.70 6.86 0.00 0.53 0.15 -0.88 -4.90 113.70 113.75 1ckq s SER 195 Ca 0.34 1.45 0.11 0.00 0.70 0.00 0.00 55.95 58.54 1ckq s SER 195 Cb 0.16 -2.54 0.63 0.00 -1.71 0.00 0.00 66.02 62.57 1ckq s SER 195 CO 0.27 -0.88 1.06 0.61 1.20 0.00 0.00 173.24 175.49 1ckq n GLY 196 N 3.86 -0.40 0.10 9.45 0.00 -1.26 -1.75 105.19 115.20 1ckq n GLY 196 Ca 0.14 -0.07 -0.03 0.00 0.00 0.00 0.00 46.02 46.07 1ckq n GLY 196 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ckq h ILE 197 N 0.00 1.41 0.00 -0.61 1.08 -1.95 -3.41 117.51 114.03 1ckq h ILE 197 Ca 0.00 -2.73 0.00 0.00 -0.39 0.00 0.00 64.86 61.74 1ckq h ILE 197 Cb 0.00 2.53 0.00 0.00 -3.07 0.00 0.00 36.82 36.28 1ckq h ILE 197 CO 0.00 0.74 -0.90 0.18 -0.69 0.00 0.00 178.15 177.48 1ckq n LEU 198 N -3.44 2.31 -4.65 1.44 4.32 -0.85 -2.23 117.00 113.90 1ckq n LEU 198 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 56.01 55.57 1ckq n LEU 198 Cb 0.79 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.56 1ckq n LEU 198 CO 0.44 0.38 1.55 0.21 -1.22 0.00 0.00 177.39 178.74 1ckq s ASN 199 N -4.06 6.37 -0.01 -1.43 3.84 -0.72 -4.39 114.94 114.55 1ckq s ASN 199 Ca 0.00 2.34 0.05 0.00 0.21 0.00 0.00 52.86 55.46 1ckq s ASN 199 Cb 0.00 -2.53 0.13 0.00 -0.55 0.00 0.00 41.25 38.30 1ckq s ASN 199 CO 0.00 -1.16 1.10 0.54 -2.79 0.00 0.00 177.10 174.79 1ckq n ARG 200 N 7.60 2.88 0.22 0.43 5.12 -0.11 -4.70 116.66 128.09 1ckq n ARG 200 Ca 0.20 -1.77 0.11 0.00 -1.93 0.00 0.00 57.85 54.47 1ckq n ARG 200 Cb 0.42 -1.13 0.69 0.00 -1.16 0.00 0.00 32.46 31.28 1ckq n ARG 200 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1ckq h LEU 201 N 0.71 0.00 -0.30 0.55 5.85 -1.89 -0.97 115.31 119.25 1ckq h LEU 201 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1ckq h LEU 201 Cb 0.62 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.65 1ckq h LEU 201 CO 0.01 0.00 0.00 0.44 -0.34 0.00 0.00 178.44 178.55 1ckq h ASP 202 N 0.00 0.00 0.00 1.25 3.32 -1.95 -2.96 116.42 116.09 1ckq h ASP 202 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1ckq h ASP 202 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1ckq h ASP 202 CO -0.00 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 178.06 1ckq n ARG 203 N -2.40 0.82 0.00 3.56 5.12 -0.37 -3.25 116.66 120.14 1ckq n ARG 203 Ca 0.04 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.96 1ckq n ARG 203 Cb 0.37 -1.36 0.00 0.00 -1.16 0.00 0.00 32.46 30.31 1ckq n ARG 203 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1ckq n LEU 204 N -0.86 0.00 0.24 0.55 4.77 -1.12 -4.77 117.00 115.82 1ckq n LEU 204 Ca 0.14 0.00 0.17 0.00 -0.03 0.00 0.00 56.01 56.30 1ckq n LEU 204 Cb 0.06 0.00 0.81 0.00 -2.33 0.00 0.00 43.42 41.97 1ckq n LEU 204 CO 0.11 0.00 1.15 0.71 -1.33 0.00 0.00 177.39 178.03 1ckq h THR 205 N 0.00 0.17 0.00 -5.08 1.35 -1.56 -0.64 112.91 107.15 1ckq h THR 205 Ca 0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 66.41 65.81 1ckq h THR 205 Cb 0.07 0.69 -0.01 0.00 -1.73 0.00 0.00 68.15 67.17 1ckq h THR 205 CO 0.00 0.00 -0.26 0.00 -0.25 0.00 0.00 175.52 175.01 1ckq h ALA 206 N 1.46 1.22 0.00 6.62 0.00 -1.87 -2.11 119.26 124.58 1ckq h ALA 206 Ca 0.07 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1ckq h ALA 206 Cb 0.76 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1ckq h ALA 206 CO -0.00 0.32 -0.08 0.00 0.00 0.00 0.00 179.25 179.49 1ckq h ALA 207 N 1.74 1.54 0.00 0.00 0.00 -1.48 -3.01 119.26 118.05 1ckq h ALA 207 Ca -0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1ckq h ALA 207 Cb 0.60 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 1ckq h ALA 207 CO 0.03 0.10 -0.43 0.27 0.00 0.00 0.00 179.25 179.23 1ckq n ASN 208 N -3.96 1.61 -2.92 0.00 2.04 -1.12 -2.71 115.26 108.18 1ckq n ASN 208 Ca -0.02 -3.14 -0.20 0.00 -0.44 0.00 0.00 54.58 50.77 1ckq n ASN 208 Cb 0.17 -0.43 0.01 0.00 -2.53 0.00 0.00 39.78 37.00 1ckq n ASN 208 CO 0.00 0.00 0.00 -1.22 -0.44 0.00 0.00 177.26 175.60 1ckq n TYR 209 N -0.84 -1.67 -1.09 -2.53 4.02 -1.14 -1.52 117.16 112.39 1ckq n TYR 209 Ca 0.14 0.32 -0.03 0.00 -0.01 0.00 0.00 57.90 58.31 1ckq n TYR 209 Cb 0.75 -3.49 -0.01 0.00 -0.02 0.00 0.00 39.34 36.56 1ckq n TYR 209 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ckq n GLY 210 N -1.17 0.57 3.79 2.72 0.00 -0.81 -5.01 105.19 105.27 1ckq n GLY 210 Ca -0.10 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.38 1ckq n GLY 210 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ckq s MET 211 N -1.52 1.88 0.29 1.61 -1.94 -0.58 -4.96 119.30 114.09 1ckq s MET 211 Ca 0.00 0.66 -0.29 0.00 -1.71 0.00 0.00 55.69 54.35 1ckq s MET 211 Cb 0.00 -1.89 -0.13 0.00 2.01 0.00 0.00 34.83 34.82 1ckq s MET 211 CO 0.00 -1.77 1.26 -2.30 -0.01 0.00 0.00 175.02 172.20 1ckq n PRO 212 N -3.54 1.88 -2.16 2.03 -0.02 -1.26 -4.98 135.00 126.95 1ckq n PRO 212 Ca 0.07 0.66 -0.27 0.00 -2.02 0.00 0.00 63.50 61.95 1ckq n PRO 212 Cb 0.56 -2.22 0.09 0.00 -0.02 0.00 0.00 33.50 31.91 1ckq n PRO 212 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1ckq s ILE 213 N -0.71 2.18 -1.47 4.25 -4.36 -1.26 -4.19 121.20 115.64 1ckq s ILE 213 Ca 0.61 -0.23 -0.03 0.00 -0.26 0.00 0.00 60.65 60.75 1ckq s ILE 213 Cb -0.64 -2.95 0.01 0.00 1.25 0.00 0.00 42.46 40.13 1ckq s ILE 213 CO 0.57 0.00 0.23 0.59 0.24 0.00 0.00 174.94 176.58 1ckq n ASN 214 N -3.10 -5.19 -4.23 4.36 3.02 -0.09 -4.97 115.26 105.06 1ckq n ASN 214 Ca 0.10 -0.09 -0.14 0.00 -0.03 0.00 0.00 54.58 54.42 1ckq n ASN 214 Cb 0.60 -4.29 -0.10 0.00 -0.61 0.00 0.00 39.78 35.38 1ckq n ASN 214 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1ckq s SER 215 N -2.31 1.71 -0.58 6.41 0.01 -1.26 -5.02 113.70 112.65 1ckq s SER 215 Ca 0.14 -0.97 -0.23 0.00 1.31 0.00 0.00 55.95 56.20 1ckq s SER 215 Cb -0.06 -0.00 0.05 0.00 0.21 0.00 0.00 66.02 66.21 1ckq s SER 215 CO 0.17 -0.32 0.92 0.21 0.41 0.00 0.00 173.24 174.63 1ckq s ASN 216 N -3.00 6.27 -0.42 2.44 3.84 -1.26 -4.53 114.94 118.29 1ckq s ASN 216 Ca 0.14 -0.62 0.05 0.00 0.21 0.00 0.00 52.86 52.64 1ckq s ASN 216 Cb 0.01 -2.42 0.53 0.00 -0.55 0.00 0.00 41.25 38.83 1ckq s ASN 216 CO 0.00 -1.27 1.68 0.18 -2.79 0.00 0.00 177.10 174.90 1ckq n LEU 217 N 7.44 5.73 -0.24 3.21 4.32 -1.26 -4.77 117.00 131.43 1ckq n LEU 217 Ca -0.01 -3.99 -0.06 0.00 -0.02 0.00 0.00 56.01 51.93 1ckq n LEU 217 Cb 0.47 -0.73 0.04 0.00 -1.62 0.00 0.00 43.42 41.58 1ckq n LEU 217 CO 0.63 1.37 1.05 0.00 -1.22 0.00 0.00 177.39 179.23 1ckq s ILE 219 N -5.73 4.23 0.36 0.00 1.01 -1.26 -1.30 121.20 118.51 1ckq s ILE 219 Ca -0.13 1.44 -0.28 0.00 0.00 0.00 0.00 60.65 61.68 1ckq s ILE 219 Cb 0.14 -4.10 -0.11 0.00 0.01 0.00 0.00 42.46 38.40 1ckq s ILE 219 CO 0.79 -0.31 1.47 0.20 0.00 0.00 0.00 174.94 177.10 1ckq s ASN 220 N 2.35 6.41 0.15 3.58 0.02 -1.02 -4.98 114.94 121.44 1ckq s ASN 220 Ca 0.55 2.99 -0.07 0.00 -1.02 0.00 0.00 52.86 55.31 1ckq s ASN 220 Cb -0.19 -2.66 -0.06 0.00 0.02 0.00 0.00 41.25 38.36 1ckq s ASN 220 CO 0.18 -0.83 0.42 -0.54 0.02 0.00 0.00 177.10 176.35 1ckq s LYS 221 N -1.85 3.69 -0.43 -0.60 -0.14 -1.21 -4.92 119.74 114.28 1ckq s LYS 221 Ca 0.54 0.05 0.03 0.00 -1.36 0.00 0.00 55.97 55.23 1ckq s LYS 221 Cb -0.46 -2.83 0.12 0.00 -1.68 0.00 0.00 37.83 32.98 1ckq s LYS 221 CO 0.60 0.45 0.17 -0.06 -0.76 0.00 0.00 175.35 175.76 1ckq s PHE 222 N -1.64 3.07 0.30 3.18 0.08 -1.26 -0.73 117.98 120.98 1ckq s PHE 222 Ca 0.41 -2.89 -0.00 0.00 0.12 0.00 0.00 56.93 54.56 1ckq s PHE 222 Cb -0.12 -2.63 0.06 0.00 -0.57 0.00 0.00 43.02 39.76 1ckq s PHE 222 CO 0.22 -0.83 0.41 1.33 -0.10 0.00 0.00 175.22 176.26 1ckq n VAL 223 N 3.69 0.00 -3.65 -0.44 0.24 -0.82 -4.86 118.33 112.50 1ckq n VAL 223 Ca 0.05 -0.62 -0.03 0.00 -2.04 0.00 0.00 64.34 61.70 1ckq n VAL 223 Cb 0.36 -1.22 -0.07 0.00 -1.47 0.00 0.00 33.84 31.45 1ckq n VAL 223 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1ckq s ASN 224 N -2.65 -0.23 0.00 -1.34 2.20 -1.26 -1.49 114.94 110.17 1ckq s ASN 224 Ca 0.27 0.41 0.00 0.00 -0.94 0.00 0.00 52.86 52.60 1ckq s ASN 224 Cb -0.01 0.65 0.00 0.00 -2.00 0.00 0.00 41.25 39.89 1ckq s ASN 224 CO 0.18 -0.07 0.00 1.57 -2.94 0.00 0.00 177.10 175.84 1ckq n HIS 225 N 2.37 0.00 -3.48 1.54 -0.00 -1.26 -4.86 115.22 109.53 1ckq n HIS 225 Ca -0.13 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.30 1ckq n HIS 225 Cb 0.57 -0.36 -0.12 0.00 -0.00 0.00 0.00 29.99 30.08 1ckq n HIS 225 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1ckq s LYS 226 N -0.92 0.75 -0.62 1.57 -0.14 -1.26 -4.94 119.74 114.18 1ckq s LYS 226 Ca 0.00 -1.62 -0.12 0.00 -1.36 0.00 0.00 55.97 52.87 1ckq s LYS 226 Cb 0.00 -1.48 0.02 0.00 -1.68 0.00 0.00 37.83 34.68 1ckq s LYS 226 CO 0.00 -1.25 0.65 -3.47 -0.76 0.00 0.00 175.35 170.52 1ckq n ASP 227 N 3.68 -6.74 0.04 2.83 2.03 -1.26 -4.96 116.55 112.17 1ckq n ASP 227 Ca 0.16 -0.13 0.00 0.00 0.52 0.00 0.00 54.79 55.34 1ckq n ASP 227 Cb 0.39 -3.82 0.00 0.00 -0.72 0.00 0.00 41.12 36.97 1ckq n ASP 227 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1ckq n LYS 228 N -1.27 0.00 -1.07 -0.67 4.81 -1.26 -5.16 118.16 113.53 1ckq n LYS 228 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 1ckq n LYS 228 Cb 0.57 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.62 1ckq n LYS 228 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1ckq n SER 229 N -2.75 -4.32 -3.97 3.14 2.88 -1.26 -5.04 113.62 102.30 1ckq n SER 229 Ca 0.00 0.47 -0.11 0.00 -1.33 0.00 0.00 58.87 57.91 1ckq n SER 229 Cb 0.00 -2.35 -0.12 0.00 -0.75 0.00 0.00 64.21 60.99 1ckq n SER 229 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1ckq s ILE 230 N -0.17 0.18 -0.18 2.46 1.01 -0.56 -4.97 121.20 118.97 1ckq s ILE 230 Ca 0.00 -0.73 -0.03 0.00 0.00 0.00 0.00 60.65 59.88 1ckq s ILE 230 Cb 0.00 -0.28 -0.02 0.00 0.01 0.00 0.00 42.46 42.17 1ckq s ILE 230 CO 0.00 -0.35 -0.05 -0.32 0.00 0.00 0.00 174.94 174.21 1ckq s MET 231 N -1.14 3.49 -0.12 2.79 -2.45 -1.26 -1.95 119.30 118.66 1ckq s MET 231 Ca -0.11 -0.60 -0.11 0.00 -1.25 0.00 0.00 55.69 53.62 1ckq s MET 231 Cb -0.08 -2.92 -0.05 0.00 1.25 0.00 0.00 34.83 33.04 1ckq s MET 231 CO -0.01 0.03 0.25 -0.51 1.05 0.00 0.00 175.02 175.83 1ckq s LEU 232 N 0.89 4.33 -0.48 4.11 1.43 0.09 -4.99 118.68 124.06 1ckq s LEU 232 Ca -0.01 0.55 -0.01 0.00 -1.03 0.00 0.00 54.13 53.62 1ckq s LEU 232 Cb -0.15 -2.29 0.13 0.00 0.03 0.00 0.00 46.19 43.92 1ckq s LEU 232 CO 0.01 0.25 0.27 -1.10 0.23 0.00 0.00 176.35 176.01 1ckq s GLN 233 N -0.29 2.13 -0.20 1.70 -0.21 -1.26 -3.31 119.66 118.22 1ckq s GLN 233 Ca 0.16 -2.13 -0.11 0.00 0.02 0.00 0.00 55.36 53.30 1ckq s GLN 233 Cb -0.13 -3.57 -0.05 0.00 1.00 0.00 0.00 33.01 30.26 1ckq s GLN 233 CO 0.05 -1.10 0.18 0.00 -2.12 0.00 0.00 175.29 172.30 1ckq s ALA 234 N 0.59 3.65 0.26 6.09 0.00 -1.26 -4.85 121.76 126.24 1ckq s ALA 234 Ca 0.12 -0.67 -0.20 0.00 0.00 0.00 0.00 51.96 51.22 1ckq s ALA 234 Cb -0.22 -2.26 -0.09 0.00 0.00 0.00 0.00 23.12 20.56 1ckq s ALA 234 CO -0.04 0.08 0.77 0.00 0.00 0.00 0.00 175.76 176.56 1ckq s ALA 235 N 0.52 3.36 -0.41 0.00 0.00 -1.10 -4.61 121.76 119.52 1ckq s ALA 235 Ca 0.10 0.21 -0.26 0.00 0.00 0.00 0.00 51.96 52.01 1ckq s ALA 235 Cb -0.12 -2.88 0.02 0.00 0.00 0.00 0.00 23.12 20.14 1ckq s ALA 235 CO 0.00 0.30 0.97 -1.12 0.00 0.00 0.00 175.76 175.92 1ckq s SER 236 N -1.75 6.63 -0.44 0.00 0.01 -0.24 -4.54 113.70 113.37 1ckq s SER 236 Ca 0.46 0.44 -0.11 0.00 1.31 0.00 0.00 55.95 58.05 1ckq s SER 236 Cb -0.16 -2.48 0.08 0.00 0.21 0.00 0.00 66.02 63.68 1ckq s SER 236 CO 0.21 -0.99 0.31 -0.63 0.41 0.00 0.00 173.24 172.54 1ckq s ILE 237 N 3.75 4.48 -0.12 1.44 1.01 -1.26 -1.26 121.20 129.23 1ckq s ILE 237 Ca 0.40 -1.37 -0.05 0.00 0.00 0.00 0.00 60.65 59.62 1ckq s ILE 237 Cb -0.10 -3.75 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 1ckq s ILE 237 CO 0.23 -0.57 0.07 -0.31 0.00 0.00 0.00 174.94 174.37 1ckq s TYR 238 N 1.47 3.35 0.07 3.97 1.51 -0.24 -0.91 117.35 126.58 1ckq s TYR 238 Ca 0.04 0.30 0.04 0.00 -1.01 0.00 0.00 57.07 56.43 1ckq s TYR 238 Cb -0.24 -1.92 -0.03 0.00 -0.11 0.00 0.00 41.96 39.66 1ckq s TYR 238 CO 0.03 0.50 -0.11 -0.08 -1.11 0.00 0.00 175.55 174.78 1ckq s THR 239 N -0.64 0.91 -0.86 -0.71 -1.32 -1.26 -0.85 115.64 110.91 1ckq s THR 239 Ca 0.12 -1.38 -0.11 0.00 -1.21 0.00 0.00 61.69 59.10 1ckq s THR 239 Cb -0.12 -1.07 0.22 0.00 -1.51 0.00 0.00 72.50 70.02 1ckq s THR 239 CO 0.02 -0.39 0.79 -1.58 -2.21 0.00 0.00 174.62 171.25 1ckq s GLN 240 N -2.11 3.56 0.00 7.08 2.00 -1.11 -4.90 119.66 124.18 1ckq s GLN 240 Ca -0.01 -2.67 0.16 0.00 -2.00 0.00 0.00 55.36 50.84 1ckq s GLN 240 Cb -0.07 -4.33 0.73 0.00 0.80 0.00 0.00 33.01 30.14 1ckq s GLN 240 CO 0.01 -1.26 1.48 0.41 -0.50 0.00 0.00 175.29 175.42 1ckq n GLY 241 N 3.55 -0.92 0.15 2.59 0.00 -1.26 -2.95 105.19 106.36 1ckq n GLY 241 Ca 0.15 -0.06 -0.05 0.00 0.00 0.00 0.00 46.02 46.06 1ckq n GLY 241 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ckq h ASP 242 N 0.00 0.18 0.00 1.61 5.19 -1.90 -3.01 116.42 118.49 1ckq h ASP 242 Ca 0.00 -0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.30 1ckq h ASP 242 Cb 0.21 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.67 1ckq h ASP 242 CO 0.00 0.79 0.00 0.61 -3.12 0.00 0.00 179.24 177.52 1ckq n GLY 243 N 0.40 1.64 3.92 2.75 0.00 -1.15 -4.94 105.19 107.82 1ckq n GLY 243 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 1ckq n GLY 243 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ckq s ARG 244 N -0.54 1.23 0.62 1.61 1.81 -1.26 -4.61 118.95 117.80 1ckq s ARG 244 Ca 0.00 -0.25 -0.13 0.00 -1.72 0.00 0.00 55.73 53.63 1ckq s ARG 244 Cb 0.00 -1.92 -0.03 0.00 -0.45 0.00 0.00 34.95 32.54 1ckq s ARG 244 CO 0.00 -2.02 1.03 -1.21 -0.68 0.00 0.00 175.30 172.42 1ckq s GLU 245 N -5.71 3.45 0.31 3.54 2.02 -1.26 -4.71 118.70 116.33 1ckq s GLU 245 Ca 0.69 0.92 -0.28 0.00 0.02 0.00 0.00 54.97 56.31 1ckq s GLU 245 Cb -0.07 -2.06 -0.09 0.00 0.10 0.00 0.00 34.13 32.01 1ckq s GLU 245 CO 0.51 -0.69 1.09 -1.58 0.02 0.00 0.00 175.26 174.60 1ckq s TRP 246 N -2.92 3.51 -0.16 1.61 0.52 -1.26 -5.03 118.94 115.21 1ckq s TRP 246 Ca 0.58 1.69 -0.20 0.00 0.02 0.00 0.00 56.10 58.19 1ckq s TRP 246 Cb -0.12 -3.25 -0.03 0.00 -1.15 0.00 0.00 33.47 28.92 1ckq s TRP 246 CO 0.47 -0.55 0.57 0.34 0.02 0.00 0.00 176.95 177.79 1ckq s ASP 247 N -1.04 6.68 0.43 2.95 2.15 -1.26 -4.97 116.67 121.61 1ckq s ASP 247 Ca 0.47 0.82 0.11 0.00 0.43 0.00 0.00 52.55 54.39 1ckq s ASP 247 Cb -0.30 -2.32 0.97 0.00 -0.30 0.00 0.00 42.92 40.97 1ckq s ASP 247 CO 0.38 -0.16 2.02 0.28 -0.17 0.00 0.00 175.17 177.52 1ckq h SER 248 N 7.21 0.39 -0.44 -0.34 0.02 -1.86 -1.69 113.55 116.83 1ckq h SER 248 Ca -0.35 -0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.53 1ckq h SER 248 Cb 1.16 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.60 1ckq h SER 248 CO 0.76 0.26 0.01 0.50 -1.14 0.00 0.00 176.83 177.21 1ckq h LYS 249 N 0.45 0.77 0.00 3.45 3.11 -1.83 -1.75 116.57 120.77 1ckq h LYS 249 Ca 0.22 -0.24 -0.04 0.00 -2.81 0.00 0.00 60.65 57.77 1ckq h LYS 249 Cb 0.28 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.44 1ckq h LYS 249 CO -0.06 0.84 -0.21 -0.84 -2.81 0.00 0.00 179.45 176.37 1ckq h ILE 250 N 0.61 0.42 -0.21 2.00 3.07 -1.80 -2.47 117.51 119.13 1ckq h ILE 250 Ca 0.12 -1.25 -0.16 0.00 1.55 0.00 0.00 64.86 65.12 1ckq h ILE 250 Cb 0.48 1.93 0.00 0.00 -0.27 0.00 0.00 36.82 38.96 1ckq h ILE 250 CO 0.02 0.20 -0.51 0.24 -1.05 0.00 0.00 178.15 177.06 1ckq h MET 251 N 0.00 0.72 -0.43 0.16 2.86 -1.11 -2.81 114.93 114.33 1ckq h MET 251 Ca -0.00 -0.49 -0.02 0.00 -2.06 0.00 0.00 59.70 57.12 1ckq h MET 251 Cb 0.91 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.62 1ckq h MET 251 CO 0.03 1.11 0.17 0.35 1.06 0.00 0.00 176.91 179.63 1ckq h PHE 252 N 0.43 0.65 -0.64 -0.22 3.57 -1.17 -1.59 116.94 117.98 1ckq h PHE 252 Ca -0.00 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.43 1ckq h PHE 252 Cb 1.12 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.64 1ckq h PHE 252 CO 0.09 0.56 0.32 0.93 -2.23 0.00 0.00 178.31 177.98 1ckq h GLU 253 N 0.55 0.91 -0.14 1.11 5.08 -1.49 0.12 114.58 120.73 1ckq h GLU 253 Ca 0.14 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1ckq h GLU 253 Cb 0.19 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1ckq h GLU 253 CO -0.01 0.71 0.05 0.82 -1.00 0.00 0.00 179.01 179.58 1ckq h ILE 254 N 0.87 1.15 -0.23 3.13 2.04 -1.37 -1.30 117.51 121.81 1ckq h ILE 254 Ca 0.22 -0.47 -0.09 0.00 1.00 0.00 0.00 64.86 65.53 1ckq h ILE 254 Cb 0.09 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 1ckq h ILE 254 CO -0.03 0.14 -0.25 0.24 0.00 0.00 0.00 178.15 178.26 1ckq h MET 255 N 0.06 0.42 -0.19 2.37 2.86 -1.13 -2.19 114.93 117.12 1ckq h MET 255 Ca 0.04 -0.15 -0.18 0.00 -2.06 0.00 0.00 59.70 57.36 1ckq h MET 255 Cb 0.18 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.80 1ckq h MET 255 CO -0.00 0.64 -0.60 0.35 1.06 0.00 0.00 176.91 178.36 1ckq h PHE 256 N 0.38 0.81 -0.49 -0.22 3.57 -0.87 -2.17 116.94 117.95 1ckq h PHE 256 Ca 0.06 -0.31 -0.01 0.00 3.53 0.00 0.00 57.97 61.24 1ckq h PHE 256 Cb 0.64 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.21 1ckq h PHE 256 CO 0.02 1.07 0.25 0.22 -2.23 0.00 0.00 178.31 177.65 1ckq h ASP 257 N 0.48 0.62 -0.14 0.41 3.58 -0.96 -1.59 116.42 118.81 1ckq h ASP 257 Ca -0.00 -0.11 -0.10 0.00 0.42 0.00 0.00 57.03 57.25 1ckq h ASP 257 Cb 1.17 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 42.05 1ckq h ASP 257 CO 0.12 0.55 -0.21 0.40 -2.88 0.00 0.00 179.24 177.21 1ckq h ILE 258 N 0.64 1.26 -0.42 2.25 2.04 -1.35 -2.58 117.51 119.35 1ckq h ILE 258 Ca 0.17 -1.23 -0.12 0.00 1.00 0.00 0.00 64.86 64.67 1ckq h ILE 258 Cb 0.08 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 1ckq h ILE 258 CO -0.02 0.40 -0.23 0.28 0.00 0.00 0.00 178.15 178.57 1ckq h SER 259 N 0.51 0.87 -0.29 1.72 0.02 -1.10 -2.38 113.55 112.90 1ckq h SER 259 Ca 0.08 -0.33 -0.09 0.00 -0.84 0.00 0.00 61.79 60.61 1ckq h SER 259 Cb 0.65 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 1ckq h SER 259 CO 0.05 1.07 -0.13 0.74 -1.14 0.00 0.00 176.83 177.42 1ckq h THR 260 N 0.74 1.25 -0.55 -2.27 2.02 -1.14 -2.53 112.91 110.44 1ckq h THR 260 Ca 0.10 -1.16 -0.08 0.00 0.77 0.00 0.00 66.41 66.04 1ckq h THR 260 Cb 0.77 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 1ckq h THR 260 CO 0.06 0.39 0.02 0.74 0.37 0.00 0.00 175.52 177.11 1ckq h THR 261 N 0.65 1.25 -0.83 3.16 2.02 -1.27 -2.22 112.91 115.66 1ckq h THR 261 Ca 0.11 -1.05 -0.01 0.00 0.77 0.00 0.00 66.41 66.23 1ckq h THR 261 Cb 0.58 0.81 -0.04 0.00 -1.74 0.00 0.00 68.15 67.76 1ckq h THR 261 CO 0.04 0.38 0.48 0.28 0.37 0.00 0.00 175.52 177.06 1ckq h SER 262 N 0.85 1.01 0.13 4.18 0.02 -1.05 -2.16 113.55 116.52 1ckq h SER 262 Ca 0.16 -0.07 -0.11 0.00 -0.84 0.00 0.00 61.79 60.93 1ckq h SER 262 Cb 0.47 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 1ckq h SER 262 CO 0.02 0.80 -0.37 -0.07 -1.14 0.00 0.00 176.83 176.07 1ckq h LEU 263 N 1.15 0.35 -0.37 5.07 3.38 -1.05 -2.14 115.31 121.70 1ckq h LEU 263 Ca 0.30 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 1ckq h LEU 263 Cb -0.01 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1ckq h LEU 263 CO -0.05 0.69 0.07 0.03 0.09 0.00 0.00 178.44 179.27 1ckq h ARG 264 N 0.29 0.60 -0.00 1.13 3.08 -0.81 0.29 114.38 118.95 1ckq h ARG 264 Ca 0.03 -0.15 -0.09 0.00 0.07 0.00 0.00 59.98 59.84 1ckq h ARG 264 Cb 0.79 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 1ckq h ARG 264 CO 0.06 0.65 -0.44 0.28 -1.07 0.00 0.00 179.97 179.46 1ckq h VAL 265 N 0.44 1.31 -0.01 2.04 2.07 -1.41 -2.51 116.25 118.19 1ckq h VAL 265 Ca 0.11 -1.50 0.00 0.00 0.82 0.00 0.00 66.70 66.14 1ckq h VAL 265 Cb 0.34 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 1ckq h VAL 265 CO 0.00 0.43 -0.05 -0.11 0.02 0.00 0.00 177.57 177.87 1ckq n LEU 266 N -4.02 1.06 -0.32 2.57 7.94 -0.81 -4.53 117.00 118.90 1ckq n LEU 266 Ca -0.02 -0.33 0.15 0.00 -1.11 0.00 0.00 56.01 54.71 1ckq n LEU 266 Cb 0.46 -0.04 0.31 0.00 0.53 0.00 0.00 43.42 44.69 1ckq n LEU 266 CO 0.40 0.18 0.89 1.23 -1.11 0.00 0.00 177.39 178.98 1ckq h GLY 267 N 4.90 1.38 2.00 -3.96 0.00 -0.48 -1.28 103.07 105.63 1ckq h GLY 267 Ca 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 1ckq h GLY 267 CO 0.00 -0.47 -0.04 0.07 0.00 0.00 0.00 176.54 176.10 1ckq h ARG 268 N 0.10 0.00 -0.49 4.80 0.11 -1.84 -2.38 114.38 114.68 1ckq h ARG 268 Ca 0.59 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.67 1ckq h ARG 268 Cb 1.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.34 1ckq h ARG 268 CO -0.78 0.04 0.00 -0.25 0.10 0.00 0.00 179.97 179.08 1ckq n ASP 269 N -3.72 4.58 0.00 0.08 8.00 -0.49 -4.30 116.55 120.71 1ckq n ASP 269 Ca -0.03 -2.69 0.00 0.00 0.71 0.00 0.00 54.79 52.79 1ckq n ASP 269 Cb 0.13 -0.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.67 1ckq n ASP 269 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1ckq n LEU 270 N 0.47 0.00 -0.12 0.64 4.32 -0.92 -0.93 117.00 120.46 1ckq n LEU 270 Ca 0.24 -0.27 -0.05 0.00 -0.02 0.00 0.00 56.01 55.91 1ckq n LEU 270 Cb 0.92 0.00 0.02 0.00 -1.62 0.00 0.00 43.42 42.74 1ckq n LEU 270 CO 0.22 0.00 0.77 0.15 -1.22 0.00 0.00 177.39 177.31 1ckq h PHE 271 N 0.00 -0.28 -0.10 -1.77 3.57 -1.69 -2.35 116.94 114.32 1ckq h PHE 271 Ca 0.00 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.57 1ckq h PHE 271 Cb 0.00 0.19 -0.00 0.00 2.79 0.00 0.00 35.95 38.92 1ckq h PHE 271 CO 0.00 -0.20 0.10 0.93 -2.23 0.00 0.00 178.31 176.91 1ckq h GLU 272 N -0.03 0.00 0.00 1.11 4.39 -1.89 -1.88 114.58 116.28 1ckq h GLU 272 Ca 0.20 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.78 1ckq h GLU 272 Cb 0.33 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 1ckq h GLU 272 CO -0.44 0.00 -0.75 1.96 -1.16 0.00 0.00 179.01 178.62 1ckq h GLN 273 N 0.00 0.00 0.00 2.33 4.20 -1.74 0.43 115.11 120.33 1ckq h GLN 273 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1ckq h GLN 273 Cb 0.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.03 1ckq h GLN 273 CO -0.00 0.42 -0.42 1.28 -0.67 0.00 0.00 178.83 179.44 1ckq n LEU 274 N -3.12 0.68 -0.02 1.46 4.32 -0.75 -3.94 117.00 115.63 1ckq n LEU 274 Ca -0.01 0.31 -0.04 0.00 -0.02 0.00 0.00 56.01 56.25 1ckq n LEU 274 Cb 0.75 -0.24 -0.01 0.00 -1.62 0.00 0.00 43.42 42.30 1ckq n LEU 274 CO 0.41 -0.07 -0.32 0.41 -1.22 0.00 0.00 177.39 176.60 1ckq n THR 275 N -2.07 1.36 -0.96 -5.08 -1.04 -0.94 -4.74 114.28 100.82 1ckq n THR 275 Ca 0.04 0.28 -0.14 0.00 -2.04 0.00 0.00 64.05 62.20 1ckq n THR 275 Cb 0.42 -1.95 -0.05 0.00 -1.82 0.00 0.00 70.33 66.94 1ckq n THR 275 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1ckq n SER 276 N -3.95 5.86 0.00 8.00 7.64 0.14 -5.10 113.62 126.21 1ckq n SER 276 Ca -0.07 -2.78 0.00 0.00 1.01 0.00 0.00 58.87 57.04 1ckq n SER 276 Cb 0.25 -1.21 0.00 0.00 -1.01 0.00 0.00 64.21 62.24 1ckq n SER 276 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20