#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h3j s VAL 9 N 0.00 0.02 -0.29 2.46 0.11 0.52 -4.92 120.40 118.30 1h3j s VAL 9 Ca 0.00 -0.15 -0.06 0.00 -2.93 0.00 0.00 61.98 58.84 1h3j s VAL 9 Cb 0.00 -0.84 0.01 0.00 -1.53 0.00 0.00 36.38 34.03 1h3j s VAL 9 CO 0.00 -0.08 0.07 -0.89 -3.33 0.00 0.00 175.10 170.87 1h3j s THR 10 N -0.93 3.85 0.83 5.04 2.01 -1.26 -0.41 115.64 124.77 1h3j s THR 10 Ca -0.10 -0.76 -0.10 0.00 0.31 0.00 0.00 61.69 61.04 1h3j s THR 10 Cb -0.02 -3.00 0.09 0.00 0.01 0.00 0.00 72.50 69.58 1h3j s THR 10 CO 0.06 0.07 1.11 0.00 -0.69 0.00 0.00 174.62 175.17 1h3j h PRO 12 N -1.42 0.00 -0.32 0.00 0.11 -1.95 0.69 132.00 129.11 1h3j h PRO 12 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1h3j h PRO 12 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1h3j h PRO 12 CO 0.48 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.68 1h3j n GLY 13 N -1.29 3.33 0.86 -0.55 0.00 -1.26 -4.96 105.19 101.31 1h3j n GLY 13 Ca -0.01 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1h3j n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h3j n GLY 14 N 0.08 3.33 3.70 -0.02 0.00 0.24 -5.02 105.19 107.51 1h3j n GLY 14 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1h3j n GLY 14 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1h3j s GLN 15 N -0.69 4.18 0.11 1.61 1.11 -1.25 -4.65 119.66 120.07 1h3j s GLN 15 Ca 0.00 2.43 -0.13 0.00 0.01 0.00 0.00 55.36 57.67 1h3j s GLN 15 Cb 0.00 -3.39 -0.06 0.00 -1.01 0.00 0.00 33.01 28.55 1h3j s GLN 15 CO 0.00 -0.72 0.49 0.45 0.01 0.00 0.00 175.29 175.52 1h3j s SER 16 N 1.92 6.78 0.28 5.90 0.15 -1.26 0.39 113.70 127.85 1h3j s SER 16 Ca 0.74 0.99 -0.17 0.00 0.70 0.00 0.00 55.95 58.21 1h3j s SER 16 Cb -0.44 -2.26 0.01 0.00 -1.71 0.00 0.00 66.02 61.63 1h3j s SER 16 CO 0.33 0.15 0.64 0.28 1.20 0.00 0.00 173.24 175.84 1h3j s THR 17 N -1.39 0.00 -0.54 6.45 -1.32 0.45 -4.94 115.64 114.35 1h3j s THR 17 Ca 0.35 -1.15 0.24 0.00 -1.21 0.00 0.00 61.69 59.92 1h3j s THR 17 Cb -0.15 -2.15 0.18 0.00 -1.51 0.00 0.00 72.50 68.86 1h3j s THR 17 CO 0.18 0.00 1.46 0.77 -2.21 0.00 0.00 174.62 174.82 1h3j h SER 18 N 2.08 0.00 -4.19 8.08 4.64 -1.92 0.15 113.55 122.39 1h3j h SER 18 Ca -0.23 -0.06 -0.12 0.00 -0.47 0.00 0.00 61.79 60.91 1h3j h SER 18 Cb 1.25 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 63.11 1h3j h SER 18 CO 0.29 0.03 -0.22 0.21 -0.87 0.00 0.00 176.83 176.27 1h3j s ASN 19 N -5.02 -0.39 0.48 4.97 3.84 -1.26 -4.22 114.94 113.35 1h3j s ASN 19 Ca 0.06 0.65 0.33 0.00 0.21 0.00 0.00 52.86 54.11 1h3j s ASN 19 Cb 0.10 0.71 1.60 0.00 -0.55 0.00 0.00 41.25 43.11 1h3j s ASN 19 CO 0.69 -0.24 1.98 0.77 -2.79 0.00 0.00 177.10 177.52 1h3j h SER 20 N 4.99 0.00 0.40 -4.21 4.64 -1.94 -1.61 113.55 115.82 1h3j h SER 20 Ca -0.28 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.01 1h3j h SER 20 Cb 1.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 1h3j h SER 20 CO 0.29 0.00 -0.17 1.56 -0.87 0.00 0.00 176.83 177.64 1h3j h GLN 21 N 0.00 0.00 0.00 4.77 4.20 -2.00 -2.79 115.11 119.29 1h3j h GLN 21 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1h3j h GLN 21 Cb 0.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.97 1h3j h GLN 21 CO 0.00 0.17 0.00 0.00 -0.67 0.00 0.00 178.83 178.33 1h3j h VAL 24 N 1.06 0.86 0.00 0.00 3.04 -1.80 -2.38 116.25 117.04 1h3j h VAL 24 Ca 0.28 -0.67 0.00 0.00 -1.01 0.00 0.00 66.70 65.30 1h3j h VAL 24 Cb -0.09 1.39 0.00 0.00 -2.01 0.00 0.00 31.29 30.58 1h3j h VAL 24 CO -0.06 0.17 0.00 -0.50 -1.01 0.00 0.00 177.57 176.17 1h3j h TRP 25 N 0.00 0.00 0.00 3.17 4.06 -1.55 -0.48 115.95 121.15 1h3j h TRP 25 Ca -0.00 0.00 -0.14 0.00 2.06 0.00 0.00 58.89 60.80 1h3j h TRP 25 Cb 0.38 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.51 1h3j h TRP 25 CO 0.00 0.00 -0.68 0.74 -3.56 0.00 0.00 178.44 174.94 1h3j h PHE 26 N 0.00 0.00 0.18 0.49 -1.00 -1.51 0.17 116.94 115.28 1h3j h PHE 26 Ca 0.00 0.00 -0.31 0.00 2.81 0.00 0.00 57.97 60.47 1h3j h PHE 26 Cb 0.33 0.00 0.03 0.00 3.61 0.00 0.00 35.95 39.92 1h3j h PHE 26 CO 0.00 0.68 -1.35 -0.44 -1.61 0.00 0.00 178.31 175.60 1h3j h ASP 27 N 0.00 0.81 -0.66 2.17 3.32 -1.24 -2.76 116.42 118.05 1h3j h ASP 27 Ca -0.01 -0.81 0.00 0.00 0.02 0.00 0.00 57.03 56.24 1h3j h ASP 27 Cb 1.26 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 40.52 1h3j h ASP 27 CO 0.09 1.62 0.42 0.58 -1.72 0.00 0.00 179.24 180.23 1h3j h VAL 28 N 0.20 1.18 -0.11 -1.35 2.07 -1.28 -1.09 116.25 115.87 1h3j h VAL 28 Ca -0.21 -0.38 0.02 0.00 0.82 0.00 0.00 66.70 66.96 1h3j h VAL 28 Cb 2.03 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 32.02 1h3j h VAL 28 CO 0.25 0.18 -0.04 0.25 0.02 0.00 0.00 177.57 178.24 1h3j h LEU 29 N 0.90 -0.14 -1.24 2.57 5.85 -0.97 0.13 115.31 122.42 1h3j h LEU 29 Ca 0.24 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 59.00 1h3j h LEU 29 Cb -0.06 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1h3j h LEU 29 CO -0.05 -0.05 0.44 -0.78 -0.34 0.00 0.00 178.44 177.66 1h3j h ASP 30 N -0.02 0.84 0.08 1.25 1.82 -1.21 -0.30 116.42 118.87 1h3j h ASP 30 Ca 0.06 -0.04 -0.00 0.00 -0.39 0.00 0.00 57.03 56.66 1h3j h ASP 30 Cb 0.11 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 39.91 1h3j h ASP 30 CO -0.13 0.64 -0.04 -0.78 -1.61 0.00 0.00 179.24 177.32 1h3j h ASP 31 N 0.97 -0.09 0.02 2.28 1.82 -0.45 -2.67 116.42 118.30 1h3j h ASP 31 Ca 0.26 -0.38 0.02 0.00 -0.39 0.00 0.00 57.03 56.54 1h3j h ASP 31 Cb -0.06 0.02 -0.02 0.00 0.68 0.00 0.00 39.33 39.95 1h3j h ASP 31 CO -0.05 0.35 -0.12 -0.07 -1.61 0.00 0.00 179.24 177.74 1h3j h LEU 32 N -0.54 -0.33 -1.52 2.28 3.38 -0.47 0.29 115.31 118.40 1h3j h LEU 32 Ca -0.01 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.03 1h3j h LEU 32 Cb 0.46 0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 1h3j h LEU 32 CO 0.02 -0.17 0.35 1.56 0.09 0.00 0.00 178.44 180.29 1h3j h GLN 33 N -0.20 0.62 0.16 1.13 1.08 -1.15 0.11 115.11 116.87 1h3j h GLN 33 Ca 0.04 -0.04 -0.26 0.00 -1.45 0.00 0.00 58.65 56.94 1h3j h GLN 33 Cb 0.25 -0.14 0.02 0.00 -0.05 0.00 0.00 27.48 27.56 1h3j h GLN 33 CO -0.11 0.41 -1.19 1.15 -0.95 0.00 0.00 178.83 178.15 1h3j h THR 34 N 0.64 1.30 0.00 -0.54 2.02 -1.11 0.27 112.91 115.50 1h3j h THR 34 Ca 0.21 -2.54 0.00 0.00 0.77 0.00 0.00 66.41 64.85 1h3j h THR 34 Cb 0.04 3.01 0.00 0.00 -1.74 0.00 0.00 68.15 69.47 1h3j h THR 34 CO -0.05 0.75 -0.45 0.59 0.37 0.00 0.00 175.52 176.72 1h3j n ASN 35 N -3.94 1.03 -0.20 4.18 3.02 0.06 -3.21 115.26 116.20 1h3j n ASN 35 Ca -0.18 0.17 -0.03 0.00 -0.03 0.00 0.00 54.58 54.50 1h3j n ASN 35 Cb 0.93 -0.54 0.07 0.00 -0.61 0.00 0.00 39.78 39.63 1h3j n ASN 35 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1h3j h PHE 36 N -0.45 0.58 -0.48 3.10 3.04 -1.54 -2.34 116.94 118.84 1h3j h PHE 36 Ca 0.00 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.97 1h3j h PHE 36 Cb 0.45 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 38.79 1h3j h PHE 36 CO -0.19 0.29 0.00 0.66 -2.02 0.00 0.00 178.31 177.04 1h3j n TYR 37 N -4.83 0.84 -4.36 0.41 0.53 0.36 -4.86 117.16 105.25 1h3j n TYR 37 Ca 0.06 -0.37 -0.37 0.00 -1.02 0.00 0.00 57.90 56.20 1h3j n TYR 37 Cb 0.15 -0.09 -0.07 0.00 -1.03 0.00 0.00 39.34 38.30 1h3j n TYR 37 CO 0.00 0.00 0.00 1.04 -1.02 0.00 0.00 176.86 176.88 1h3j n GLN 38 N 0.85 -1.57 -0.10 -0.72 6.02 -0.88 -1.30 117.38 119.67 1h3j n GLN 38 Ca 0.17 0.21 0.00 0.00 -0.01 0.00 0.00 57.00 57.37 1h3j n GLN 38 Cb 0.53 -4.49 0.00 0.00 1.02 0.00 0.00 30.24 27.30 1h3j n GLN 38 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1h3j n GLY 39 N -1.62 0.97 3.29 1.08 0.00 0.69 -4.56 105.19 105.04 1h3j n GLY 39 Ca -0.05 -0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 1h3j n GLY 39 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1h3j n SER 40 N 0.06 -6.20 -4.92 1.61 7.64 0.35 -5.00 113.62 107.16 1h3j n SER 40 Ca 0.00 -0.41 -0.26 0.00 1.01 0.00 0.00 58.87 59.20 1h3j n SER 40 Cb 0.02 -4.92 0.00 0.00 -1.01 0.00 0.00 64.21 58.31 1h3j n SER 40 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1h3j s LYS 41 N -6.01 3.42 -0.78 1.43 1.02 -0.42 -4.78 119.74 113.62 1h3j s LYS 41 Ca 0.45 0.05 0.03 0.00 0.02 0.00 0.00 55.97 56.51 1h3j s LYS 41 Cb -0.20 -2.41 0.26 0.00 -0.52 0.00 0.00 37.83 34.96 1h3j s LYS 41 CO 0.55 -0.23 0.91 0.00 -0.92 0.00 0.00 175.35 175.67 1h3j n GLU 43 N 1.18 3.32 -0.23 0.00 1.02 -1.26 -4.80 120.64 119.87 1h3j n GLU 43 Ca 0.27 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.44 1h3j n GLU 43 Cb 0.38 0.00 0.11 0.00 -0.02 0.00 0.00 31.44 31.91 1h3j n GLU 43 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1h3j h SER 44 N 0.00 -0.41 -0.92 1.62 0.87 -1.94 -2.06 113.55 110.70 1h3j h SER 44 Ca 0.00 0.18 0.22 0.00 -1.23 0.00 0.00 61.79 60.96 1h3j h SER 44 Cb 0.00 0.34 -0.12 0.00 -0.44 0.00 0.00 62.40 62.18 1h3j h SER 44 CO 0.00 -0.17 0.45 -0.65 -0.53 0.00 0.00 176.83 175.93 1h3j h PRO 45 N 0.07 0.46 -0.61 2.24 0.11 -1.95 0.15 132.00 132.48 1h3j h PRO 45 Ca 0.35 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 66.36 1h3j h PRO 45 Cb 0.58 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.56 1h3j h PRO 45 CO -0.63 0.31 0.08 0.28 -0.21 0.00 0.00 178.00 177.83 1h3j h VAL 46 N 0.47 1.26 -0.39 3.15 2.07 -1.69 -1.10 116.25 120.02 1h3j h VAL 46 Ca 0.57 -1.02 -0.07 0.00 0.82 0.00 0.00 66.70 67.00 1h3j h VAL 46 Cb 1.06 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1h3j h VAL 46 CO -0.49 0.38 -0.05 0.03 0.02 0.00 0.00 177.57 177.45 1h3j h ARG 47 N 0.94 0.72 -0.62 1.57 3.08 -0.74 -1.86 114.38 117.46 1h3j h ARG 47 Ca 0.19 -0.25 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 1h3j h ARG 47 Cb 0.44 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.41 1h3j h ARG 47 CO 0.01 0.84 0.25 0.87 -1.07 0.00 0.00 179.97 180.87 1h3j h LYS 48 N 0.53 0.93 -0.28 0.04 1.79 -0.92 -2.55 116.57 116.12 1h3j h LYS 48 Ca 0.10 -0.17 -0.07 0.00 -2.18 0.00 0.00 60.65 58.34 1h3j h LYS 48 Cb 0.54 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 31.03 1h3j h LYS 48 CO 0.03 0.79 -0.10 0.97 -1.08 0.00 0.00 179.45 180.05 1h3j h ILE 49 N 0.87 1.22 -0.17 1.86 -0.00 -1.04 -0.35 117.51 119.89 1h3j h ILE 49 Ca 0.21 -0.95 -0.11 0.00 -0.00 0.00 0.00 64.86 64.00 1h3j h ILE 49 Cb 0.20 1.12 -0.01 0.00 -0.00 0.00 0.00 36.82 38.13 1h3j h ILE 49 CO -0.02 0.31 -0.37 -0.07 -0.00 0.00 0.00 178.15 178.00 1h3j h LEU 50 N 0.44 0.39 -0.23 2.19 3.38 -1.10 0.63 115.31 121.01 1h3j h LEU 50 Ca 0.08 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1h3j h LEU 50 Cb 0.45 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1h3j h LEU 50 CO 0.03 0.74 -0.03 0.03 0.09 0.00 0.00 178.44 179.29 1h3j h ARG 51 N 0.32 0.43 -0.20 1.13 3.08 -1.00 -3.05 114.38 115.09 1h3j h ARG 51 Ca 0.03 -0.15 0.01 0.00 0.07 0.00 0.00 59.98 59.94 1h3j h ARG 51 Cb 0.80 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 1h3j h ARG 51 CO 0.06 0.64 0.12 0.82 -1.07 0.00 0.00 179.97 180.54 1h3j h ILE 52 N 0.18 1.03 -0.52 2.04 2.04 -0.54 -0.81 117.51 120.91 1h3j h ILE 52 Ca 0.06 -0.08 0.03 0.00 1.00 0.00 0.00 64.86 65.87 1h3j h ILE 52 Cb 0.46 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.26 1h3j h ILE 52 CO 0.02 0.04 0.29 1.62 0.00 0.00 0.00 178.15 180.12 1h3j h VAL 53 N 0.24 1.01 -0.21 1.67 3.04 -0.91 0.50 116.25 121.59 1h3j h VAL 53 Ca 0.08 -0.20 -0.01 0.00 -1.01 0.00 0.00 66.70 65.56 1h3j h VAL 53 Cb -0.01 0.39 -0.01 0.00 -2.01 0.00 0.00 31.29 29.65 1h3j h VAL 53 CO -0.04 0.10 0.10 0.15 -1.01 0.00 0.00 177.57 176.87 1h3j h PHE 54 N 0.57 0.32 0.00 3.17 -0.00 -1.41 -1.30 116.94 118.29 1h3j h PHE 54 Ca 0.22 -0.02 -0.08 0.00 -0.00 0.00 0.00 57.97 58.09 1h3j h PHE 54 Cb 0.08 -0.10 -0.01 0.00 -0.00 0.00 0.00 35.95 35.92 1h3j h PHE 54 CO -0.08 0.33 -0.39 0.45 -0.00 0.00 0.00 178.31 178.62 1h3j h HIS 55 N 0.21 0.00 0.08 0.41 3.86 -0.91 -0.24 115.15 118.56 1h3j h HIS 55 Ca 0.07 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.28 1h3j h HIS 55 Cb 0.14 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.61 1h3j h HIS 55 CO -0.02 0.39 -0.04 0.22 0.86 0.00 0.00 177.93 179.35 1h3j h ASP 56 N 0.00 -0.09 -0.07 2.45 3.58 -0.80 -3.35 116.42 118.13 1h3j h ASP 56 Ca -0.00 -0.49 -0.08 0.00 0.42 0.00 0.00 57.03 56.88 1h3j h ASP 56 Cb 0.70 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.76 1h3j h ASP 56 CO 0.05 0.50 -0.18 0.00 -2.88 0.00 0.00 179.24 176.72 1h3j h ALA 57 N 0.04 1.21 0.00 -0.78 0.00 -1.15 -3.18 119.26 115.39 1h3j h ALA 57 Ca -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1h3j h ALA 57 Cb 0.58 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1h3j h ALA 57 CO 0.02 0.51 0.00 1.51 0.00 0.00 0.00 179.25 181.29 1h3j n ILE 58 N -4.17 0.72 -1.79 0.00 0.13 -0.11 -4.06 119.36 110.08 1h3j n ILE 58 Ca 0.00 0.18 -0.42 0.00 -1.10 0.00 0.00 62.75 61.41 1h3j n ILE 58 Cb 0.36 -0.86 -0.01 0.00 -0.84 0.00 0.00 39.64 38.29 1h3j n ILE 58 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1h3j n GLY 59 N 0.40 3.97 3.38 4.50 0.00 -1.20 -4.73 105.19 111.51 1h3j n GLY 59 Ca 0.05 -1.53 -0.09 0.00 0.00 0.00 0.00 46.02 44.44 1h3j n GLY 59 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1h3j s PHE 60 N 3.60 -0.79 -0.31 1.61 5.36 -1.22 -1.58 117.98 124.65 1h3j s PHE 60 Ca 0.49 1.59 0.01 0.00 -0.96 0.00 0.00 56.93 58.06 1h3j s PHE 60 Cb 0.13 0.39 0.15 0.00 -0.34 0.00 0.00 43.02 43.34 1h3j s PHE 60 CO -0.05 -0.43 0.34 0.45 -1.46 0.00 0.00 175.22 174.07 1h3j s SER 61 N 1.72 1.30 0.49 6.13 0.15 -0.40 -4.48 113.70 118.62 1h3j s SER 61 Ca -0.08 -0.87 0.19 0.00 0.70 0.00 0.00 55.95 55.89 1h3j s SER 61 Cb -0.08 0.64 1.22 0.00 -1.71 0.00 0.00 66.02 66.09 1h3j s SER 61 CO -0.15 -0.35 2.02 -0.65 1.20 0.00 0.00 173.24 175.31 1h3j h PRO 62 N 7.98 0.16 -0.44 5.44 0.11 -1.89 -1.52 132.00 141.84 1h3j h PRO 62 Ca -0.08 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.98 1h3j h PRO 62 Cb 1.08 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 1h3j h PRO 62 CO 0.29 0.11 0.13 0.00 -0.21 0.00 0.00 178.00 178.32 1h3j h ALA 63 N 1.77 0.58 -0.56 -0.75 0.00 -1.94 -0.37 119.26 118.00 1h3j h ALA 63 Ca 0.21 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1h3j h ALA 63 Cb 0.62 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1h3j h ALA 63 CO -0.03 0.24 0.04 -0.07 0.00 0.00 0.00 179.25 179.43 1h3j h LEU 64 N 0.58 0.89 -0.40 0.00 3.38 -1.63 -2.83 115.31 115.30 1h3j h LEU 64 Ca 0.14 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 1h3j h LEU 64 Cb 0.28 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1h3j h LEU 64 CO -0.00 0.92 0.07 0.74 0.09 0.00 0.00 178.44 180.26 1h3j h THR 65 N 0.86 1.24 0.00 0.22 2.02 -1.02 -1.26 112.91 114.97 1h3j h THR 65 Ca 0.17 -0.86 -0.01 0.00 0.77 0.00 0.00 66.41 66.48 1h3j h THR 65 Cb 0.45 1.03 -0.00 0.00 -1.74 0.00 0.00 68.15 67.89 1h3j h THR 65 CO 0.02 0.30 -0.04 0.00 0.37 0.00 0.00 175.52 176.16 1h3j h ALA 66 N 0.93 1.50 -0.08 6.16 0.00 -0.97 0.36 119.26 127.16 1h3j h ALA 66 Ca 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1h3j h ALA 66 Cb 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1h3j h ALA 66 CO 0.01 0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.31 1h3j n ALA 67 N -2.33 2.56 -0.56 0.00 0.00 -0.87 -4.93 120.51 114.39 1h3j n ALA 67 Ca -0.03 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1h3j n ALA 67 Cb 0.13 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.42 1h3j n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h3j n GLY 68 N 1.12 0.73 3.84 0.00 0.00 0.12 -5.06 105.19 105.94 1h3j n GLY 68 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 1h3j n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1h3j s GLN 69 N -0.44 2.61 -0.05 1.61 -0.21 -0.53 -5.01 119.66 117.64 1h3j s GLN 69 Ca 0.00 -1.41 -0.30 0.00 0.02 0.00 0.00 55.36 53.67 1h3j s GLN 69 Cb 0.00 -2.40 -0.03 0.00 1.00 0.00 0.00 33.01 31.58 1h3j s GLN 69 CO 0.00 0.01 1.15 0.12 -2.12 0.00 0.00 175.29 174.44 1h3j s PHE 70 N -2.38 3.31 -2.89 0.91 5.36 -1.26 -3.55 117.98 117.48 1h3j s PHE 70 Ca 0.43 1.33 0.24 0.00 -0.96 0.00 0.00 56.93 57.97 1h3j s PHE 70 Cb -0.04 -3.35 0.32 0.00 -0.34 0.00 0.00 43.02 39.60 1h3j s PHE 70 CO 0.26 -1.00 1.33 0.41 -1.46 0.00 0.00 175.22 174.77 1h3j n GLY 71 N 3.27 0.92 0.00 13.12 0.00 -1.26 -4.79 105.19 116.44 1h3j n GLY 71 Ca 0.10 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1h3j n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h3j n GLY 72 N 1.34 1.87 1.00 -0.02 0.00 -1.26 -1.27 105.19 106.85 1h3j n GLY 72 Ca 0.15 -1.71 0.08 0.00 0.00 0.00 0.00 46.02 44.54 1h3j n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h3j n GLY 73 N 1.78 1.51 7.00 -0.02 0.00 -1.20 -4.53 105.19 109.73 1h3j n GLY 73 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1h3j n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h3j n GLY 74 N 1.27 1.90 2.28 -0.02 0.00 -0.62 -3.93 105.19 106.07 1h3j n GLY 74 Ca 0.18 -0.47 -0.22 0.00 0.00 0.00 0.00 46.02 45.50 1h3j n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h3j n ALA 75 N 10.26 6.03 0.03 4.61 0.00 -0.58 -3.97 120.51 136.90 1h3j n ALA 75 Ca 0.00 -2.31 0.11 0.00 0.00 0.00 0.00 53.44 51.24 1h3j n ALA 75 Cb 0.00 -2.82 0.23 0.00 0.00 0.00 0.00 19.45 16.86 1h3j n ALA 75 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1h3j n ASP 76 N 3.27 3.47 -0.20 0.00 3.85 -1.25 -4.68 116.55 121.01 1h3j n ASP 76 Ca 0.52 -1.96 -0.03 0.00 -0.71 0.00 0.00 54.79 52.61 1h3j n ASP 76 Cb 0.44 -0.31 -0.01 0.00 -1.35 0.00 0.00 41.12 39.89 1h3j n ASP 76 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1h3j n GLY 77 N 1.36 0.50 0.34 6.12 0.00 -1.26 -3.96 105.19 108.29 1h3j n GLY 77 Ca 0.19 -0.16 0.13 0.00 0.00 0.00 0.00 46.02 46.18 1h3j n GLY 77 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1h3j h SER 78 N 0.00 0.15 -0.01 1.61 4.64 -1.88 -0.37 113.55 117.69 1h3j h SER 78 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1h3j h SER 78 Cb 0.50 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1h3j h SER 78 CO 0.08 0.09 0.01 -0.29 -0.87 0.00 0.00 176.83 175.85 1h3j h ILE 79 N 0.17 0.47 0.00 0.95 2.10 -1.89 0.39 117.51 119.70 1h3j h ILE 79 Ca 0.19 0.00 -0.25 0.00 1.08 0.00 0.00 64.86 65.88 1h3j h ILE 79 Cb 0.54 0.99 -0.04 0.00 -1.09 0.00 0.00 36.82 37.22 1h3j h ILE 79 CO -0.03 0.00 -1.72 -0.38 -1.08 0.00 0.00 178.15 174.94 1h3j n ILE 80 N -3.77 1.51 -0.34 2.19 5.41 -0.23 -3.18 119.36 120.95 1h3j n ILE 80 Ca -0.03 -0.12 0.07 0.00 1.00 0.00 0.00 62.75 63.67 1h3j n ILE 80 Cb 0.09 -2.09 0.26 0.00 -0.71 0.00 0.00 39.64 37.20 1h3j n ILE 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1h3j h ALA 81 N -0.93 1.57 -0.67 -1.39 0.00 -1.26 -2.81 119.26 113.77 1h3j h ALA 81 Ca -0.38 0.01 -0.49 0.00 0.00 0.00 0.00 54.91 54.05 1h3j h ALA 81 Cb 1.29 -0.21 -0.38 0.00 0.00 0.00 0.00 17.79 18.49 1h3j h ALA 81 CO -0.23 0.20 -0.75 0.72 0.00 0.00 0.00 179.25 179.19 1h3j n HIS 82 N -4.59 2.45 0.28 0.00 8.25 0.14 -4.79 115.22 116.96 1h3j n HIS 82 Ca 0.18 -2.15 0.14 0.00 -0.26 0.00 0.00 57.72 55.62 1h3j n HIS 82 Cb 0.35 -0.35 0.84 0.00 1.12 0.00 0.00 29.99 31.95 1h3j n HIS 82 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1h3j h SER 83 N 2.04 0.00 -0.57 0.41 4.64 -1.45 0.01 113.55 118.63 1h3j h SER 83 Ca 0.33 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.71 1h3j h SER 83 Cb 1.47 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.53 1h3j h SER 83 CO 0.69 0.00 0.38 -0.55 -0.87 0.00 0.00 176.83 176.48 1h3j h ASN 84 N 0.00 0.48 0.00 4.97 -0.00 -1.86 0.66 115.58 119.83 1h3j h ASN 84 Ca 0.01 0.00 -0.13 0.00 -0.00 0.00 0.00 56.30 56.18 1h3j h ASN 84 Cb 0.06 -0.10 -0.02 0.00 -0.00 0.00 0.00 38.32 38.26 1h3j h ASN 84 CO -0.00 0.32 -0.96 -0.38 -0.00 0.00 0.00 177.43 176.41 1h3j n ILE 85 N -4.47 1.48 0.05 6.14 2.08 -0.11 -4.56 119.36 119.97 1h3j n ILE 85 Ca 0.08 0.08 -0.01 0.00 0.56 0.00 0.00 62.75 63.46 1h3j n ILE 85 Cb 0.23 -2.21 0.28 0.00 -0.75 0.00 0.00 39.64 37.19 1h3j n ILE 85 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 1h3j h GLU 86 N -1.00 0.39 0.00 0.38 5.08 -1.21 -2.81 114.58 115.41 1h3j h GLU 86 Ca -0.19 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1h3j h GLU 86 Cb 0.94 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.15 1h3j h GLU 86 CO -0.12 0.56 0.00 1.28 -1.00 0.00 0.00 179.01 179.73 1h3j n LEU 87 N -4.19 0.00 -0.26 1.33 4.32 0.22 -1.62 117.00 116.79 1h3j n LEU 87 Ca -0.00 0.19 0.12 0.00 -0.02 0.00 0.00 56.01 56.30 1h3j n LEU 87 Cb 0.34 -0.19 0.15 0.00 -1.62 0.00 0.00 43.42 42.10 1h3j n LEU 87 CO 0.40 -0.07 0.40 0.00 -1.22 0.00 0.00 177.39 176.90 1h3j n ALA 88 N -1.19 3.57 -1.84 -1.18 0.00 -1.06 -4.60 120.51 114.21 1h3j n ALA 88 Ca 0.11 -0.51 -0.41 0.00 0.00 0.00 0.00 53.44 52.63 1h3j n ALA 88 Cb 0.13 -0.96 -0.02 0.00 0.00 0.00 0.00 19.45 18.60 1h3j n ALA 88 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1h3j s PHE 89 N -2.64 3.07 0.30 0.00 0.08 -0.64 -4.91 117.98 113.24 1h3j s PHE 89 Ca 0.18 1.26 0.05 0.00 0.12 0.00 0.00 56.93 58.55 1h3j s PHE 89 Cb 0.18 -3.72 0.78 0.00 -0.57 0.00 0.00 43.02 39.70 1h3j s PHE 89 CO 0.62 -2.13 1.70 -1.35 -0.10 0.00 0.00 175.22 173.96 1h3j h PRO 90 N 4.20 0.41 0.00 0.24 0.11 -1.90 -0.44 132.00 134.62 1h3j h PRO 90 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1h3j h PRO 90 Cb 1.22 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1h3j h PRO 90 CO 0.71 0.27 0.00 0.00 -0.21 0.00 0.00 178.00 178.77 1h3j n ALA 91 N -2.46 2.22 -1.31 -0.75 0.00 -1.26 -3.78 120.51 113.17 1h3j n ALA 91 Ca 0.24 -0.12 -0.06 0.00 0.00 0.00 0.00 53.44 53.50 1h3j n ALA 91 Cb 0.69 -1.36 0.21 0.00 0.00 0.00 0.00 19.45 19.00 1h3j n ALA 91 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1h3j n ASN 92 N -1.16 3.08 -4.84 0.00 3.02 -0.18 -5.02 115.26 110.16 1h3j n ASN 92 Ca 0.13 -3.59 -0.32 0.00 -0.03 0.00 0.00 54.58 50.77 1h3j n ASN 92 Cb 0.13 -0.67 -0.01 0.00 -0.61 0.00 0.00 39.78 38.62 1h3j n ASN 92 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1h3j s GLY 93 N -2.12 1.94 -1.05 7.41 0.00 -1.25 -4.06 107.32 108.20 1h3j s GLY 93 Ca 0.47 0.13 0.00 0.00 0.00 0.00 0.00 44.72 45.32 1h3j s GLY 93 CO 0.04 0.41 0.00 0.61 0.00 0.00 0.00 173.10 174.16 1h3j n GLY 94 N -1.84 0.24 0.00 0.20 0.00 -1.26 -4.91 105.19 97.62 1h3j n GLY 94 Ca 0.07 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1h3j n GLY 94 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1h3j n LEU 95 N -1.57 0.00 -0.34 0.99 4.77 -1.26 -4.84 117.00 114.75 1h3j n LEU 95 Ca -0.13 -0.14 -0.11 0.00 -0.03 0.00 0.00 56.01 55.60 1h3j n LEU 95 Cb 0.55 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.54 1h3j n LEU 95 CO 0.16 0.00 0.48 0.74 -1.33 0.00 0.00 177.39 177.45 1h3j h THR 96 N 0.00 0.00 -0.85 -5.08 2.02 -1.91 -0.24 112.91 106.86 1h3j h THR 96 Ca 0.00 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.24 1h3j h THR 96 Cb 0.00 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.36 1h3j h THR 96 CO 0.00 0.00 0.55 0.44 0.37 0.00 0.00 175.52 176.88 1h3j h ASP 97 N -0.08 0.84 -0.18 4.18 5.19 -1.99 -0.17 116.42 124.21 1h3j h ASP 97 Ca 0.13 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.46 1h3j h ASP 97 Cb 0.42 -0.18 -0.00 0.00 0.18 0.00 0.00 39.33 39.76 1h3j h ASP 97 CO -0.81 0.54 -0.24 0.74 -3.12 0.00 0.00 179.24 176.35 1h3j h THR 98 N 0.96 1.34 -0.78 0.35 2.02 -1.69 -2.22 112.91 112.88 1h3j h THR 98 Ca 0.36 -1.45 0.01 0.00 0.77 0.00 0.00 66.41 66.09 1h3j h THR 98 Cb 0.19 1.87 -0.04 0.00 -1.74 0.00 0.00 68.15 68.44 1h3j h THR 98 CO -0.13 0.44 0.51 0.58 0.37 0.00 0.00 175.52 177.29 1h3j h VAL 99 N 0.12 1.20 -0.11 3.16 2.07 -0.33 -0.80 116.25 121.57 1h3j h VAL 99 Ca 0.02 -0.39 -0.17 0.00 0.82 0.00 0.00 66.70 66.99 1h3j h VAL 99 Cb 0.81 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1h3j h VAL 99 CO 0.06 0.20 -0.63 -0.33 0.02 0.00 0.00 177.57 176.88 1h3j h GLU 100 N 1.06 0.42 -0.30 1.57 4.39 -1.02 0.23 114.58 120.93 1h3j h GLU 100 Ca 0.29 -0.30 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 1h3j h GLU 100 Cb -0.11 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 1h3j h GLU 100 CO -0.06 0.91 0.15 0.00 -1.16 0.00 0.00 179.01 178.85 1h3j h ALA 101 N 1.01 0.38 -0.39 3.43 0.00 -0.95 -2.66 119.26 120.09 1h3j h ALA 101 Ca -0.01 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1h3j h ALA 101 Cb 1.18 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1h3j h ALA 101 CO 0.11 -0.06 -0.18 -0.07 0.00 0.00 0.00 179.25 179.04 1h3j h LEU 102 N 0.35 0.74 -0.73 0.00 4.07 -0.95 -2.94 115.31 115.86 1h3j h LEU 102 Ca 0.10 -0.25 0.08 0.00 0.08 0.00 0.00 57.88 57.89 1h3j h LEU 102 Cb 0.10 -0.20 -0.06 0.00 1.08 0.00 0.00 40.66 41.58 1h3j h LEU 102 CO -0.01 0.93 0.40 -0.09 -1.08 0.00 0.00 178.44 178.58 1h3j h ARG 103 N 0.66 0.68 -0.46 1.13 2.43 -0.78 -2.20 114.38 115.84 1h3j h ARG 103 Ca 0.10 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.15 1h3j h ARG 103 Cb 0.67 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 1h3j h ARG 103 CO 0.05 0.45 -0.03 0.00 -1.51 0.00 0.00 179.97 178.93 1h3j h ALA 104 N 1.40 0.62 -0.53 2.80 0.00 -1.34 -2.31 119.26 119.89 1h3j h ALA 104 Ca 0.34 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1h3j h ALA 104 Cb 0.28 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1h3j h ALA 104 CO -0.22 0.45 -0.10 -0.39 0.00 0.00 0.00 179.25 178.98 1h3j h VAL 105 N 0.68 1.27 -0.62 0.00 -1.51 -1.30 -1.19 116.25 113.57 1h3j h VAL 105 Ca 0.13 -1.25 -0.05 0.00 -1.23 0.00 0.00 66.70 64.30 1h3j h VAL 105 Cb 0.54 0.96 -0.03 0.00 -2.13 0.00 0.00 31.29 30.63 1h3j h VAL 105 CO 0.03 0.44 0.19 1.23 -1.23 0.00 0.00 177.57 178.23 1h3j h GLY 106 N 0.95 1.04 0.90 5.19 0.00 -1.37 -1.20 103.07 108.58 1h3j h GLY 106 Ca 0.14 -0.62 -0.02 0.00 0.00 0.00 0.00 47.33 46.83 1h3j h GLY 106 CO 0.05 0.58 0.09 -2.22 0.00 0.00 0.00 176.54 175.04 1h3j h ILE 107 N 0.89 1.19 -0.82 2.60 2.04 -1.29 0.68 117.51 122.79 1h3j h ILE 107 Ca 0.20 -0.58 -0.02 0.00 1.00 0.00 0.00 64.86 65.46 1h3j h ILE 107 Cb 0.30 1.08 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 1h3j h ILE 107 CO -0.01 0.19 0.44 0.78 0.00 0.00 0.00 178.15 179.55 1h3j h ASN 108 N 0.27 1.03 0.12 1.72 2.35 -0.97 -2.99 115.58 117.11 1h3j h ASN 108 Ca 0.09 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1h3j h ASN 108 Cb 0.21 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.32 1h3j h ASN 108 CO -0.00 0.84 -0.47 1.41 -1.65 0.00 0.00 177.43 177.56 1h3j n HIS 109 N -4.33 0.00 -3.16 1.19 8.25 -0.47 -4.97 115.22 111.72 1h3j n HIS 109 Ca 0.08 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.39 1h3j n HIS 109 Cb 0.11 -0.07 0.05 0.00 1.12 0.00 0.00 29.99 31.20 1h3j n HIS 109 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1h3j n GLY 110 N 1.41 -0.05 3.61 -1.41 0.00 0.16 -5.03 105.19 103.88 1h3j n GLY 110 Ca 0.09 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 1h3j n GLY 110 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1h3j s VAL 111 N -3.18 3.56 0.51 1.61 -7.23 -0.79 -5.05 120.40 109.84 1h3j s VAL 111 Ca 0.36 -1.18 -0.22 0.00 -1.81 0.00 0.00 61.98 59.13 1h3j s VAL 111 Cb -0.16 -2.68 -0.06 0.00 0.56 0.00 0.00 36.38 34.04 1h3j s VAL 111 CO 0.45 0.12 1.22 -0.94 -0.31 0.00 0.00 175.10 175.63 1h3j s SER 112 N -2.23 5.76 0.41 4.85 1.04 -1.26 -4.61 113.70 117.66 1h3j s SER 112 Ca 0.23 2.42 0.10 0.00 0.48 0.00 0.00 55.95 59.17 1h3j s SER 112 Cb -0.11 -2.61 0.92 0.00 0.10 0.00 0.00 66.02 64.32 1h3j s SER 112 CO 0.15 -1.21 2.01 -0.26 0.98 0.00 0.00 173.24 174.92 1h3j h PHE 113 N 1.66 0.51 -0.31 5.02 0.04 -1.87 -1.37 116.94 120.62 1h3j h PHE 113 Ca -0.50 0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.23 1h3j h PHE 113 Cb 1.27 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 39.24 1h3j h PHE 113 CO 0.50 0.28 -0.01 0.78 -0.60 0.00 0.00 178.31 179.27 1h3j h GLY 114 N 0.52 0.59 1.01 -1.45 0.00 -1.83 -2.25 103.07 99.66 1h3j h GLY 114 Ca 0.22 -0.44 -0.10 0.00 0.00 0.00 0.00 47.33 47.01 1h3j h GLY 114 CO -0.06 0.40 -0.14 -0.55 0.00 0.00 0.00 176.54 176.19 1h3j h ASP 115 N 0.34 0.85 -0.87 0.19 3.32 -1.77 -3.12 116.42 115.35 1h3j h ASP 115 Ca 0.09 -0.38 0.04 0.00 0.02 0.00 0.00 57.03 56.79 1h3j h ASP 115 Cb 0.45 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.71 1h3j h ASP 115 CO 0.02 1.04 0.55 0.25 -1.72 0.00 0.00 179.24 179.38 1h3j h LEU 116 N 0.65 0.91 -0.54 1.55 5.85 -1.18 -0.02 115.31 122.54 1h3j h LEU 116 Ca 0.10 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 1h3j h LEU 116 Cb 0.69 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 1h3j h LEU 116 CO 0.05 0.62 0.21 0.40 -0.34 0.00 0.00 178.44 179.37 1h3j h ILE 117 N 1.06 1.22 -0.48 4.05 2.04 -1.41 0.93 117.51 124.92 1h3j h ILE 117 Ca 0.35 -0.70 -0.10 0.00 1.00 0.00 0.00 64.86 65.41 1h3j h ILE 117 Cb 0.04 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 1h3j h ILE 117 CO -0.13 0.27 -0.08 1.56 0.00 0.00 0.00 178.15 179.77 1h3j h GLN 118 N 0.73 0.91 0.05 2.37 1.08 -1.39 -2.15 115.11 116.70 1h3j h GLN 118 Ca 0.18 -0.33 -0.00 0.00 -1.45 0.00 0.00 58.65 57.05 1h3j h GLN 118 Cb 0.21 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 1h3j h GLN 118 CO -0.01 0.98 -0.02 0.35 -0.95 0.00 0.00 178.83 179.17 1h3j h PHE 119 N 0.76 -0.06 -0.43 2.96 3.04 -0.87 -2.10 116.94 120.25 1h3j h PHE 119 Ca 0.13 -0.00 0.05 0.00 3.98 0.00 0.00 57.97 62.13 1h3j h PHE 119 Cb 0.62 0.02 -0.02 0.00 2.56 0.00 0.00 35.95 39.13 1h3j h PHE 119 CO 0.05 0.15 0.29 0.00 -2.02 0.00 0.00 178.31 176.78 1h3j h ALA 120 N 0.68 1.93 0.17 2.41 0.00 -0.77 0.05 119.26 123.73 1h3j h ALA 120 Ca -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1h3j h ALA 120 Cb 0.24 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1h3j h ALA 120 CO 0.01 -0.01 -0.08 1.15 0.00 0.00 0.00 179.25 180.32 1h3j h THR 121 N 0.37 0.94 -0.81 0.00 2.02 -1.06 0.10 112.91 114.47 1h3j h THR 121 Ca 0.18 -0.53 -0.02 0.00 0.77 0.00 0.00 66.41 66.81 1h3j h THR 121 Cb 0.26 1.25 -0.04 0.00 -1.74 0.00 0.00 68.15 67.89 1h3j h THR 121 CO -0.04 0.12 0.41 0.00 0.37 0.00 0.00 175.52 176.37 1h3j h ALA 122 N 0.29 1.04 -0.01 6.16 0.00 -0.95 -0.96 119.26 124.83 1h3j h ALA 122 Ca -0.02 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1h3j h ALA 122 Cb 0.37 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1h3j h ALA 122 CO 0.04 0.58 -0.01 0.28 0.00 0.00 0.00 179.25 180.14 1h3j h VAL 123 N 1.13 1.37 -0.77 0.00 2.07 -0.95 -2.93 116.25 116.17 1h3j h VAL 123 Ca 0.28 -1.10 0.08 0.00 0.82 0.00 0.00 66.70 66.78 1h3j h VAL 123 Cb 0.09 2.08 -0.06 0.00 -1.52 0.00 0.00 31.29 31.88 1h3j h VAL 123 CO -0.04 0.29 0.44 1.23 0.02 0.00 0.00 177.57 179.51 1h3j h GLY 124 N -0.42 1.16 2.00 2.17 0.00 -0.66 -1.73 103.07 105.59 1h3j h GLY 124 Ca 0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 1h3j h GLY 124 CO 0.00 0.16 -0.15 -0.33 0.00 0.00 0.00 176.54 176.22 1h3j h MET 125 N 0.77 0.00 0.00 4.80 2.86 -1.16 -1.92 114.93 120.28 1h3j h MET 125 Ca 0.35 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.99 1h3j h MET 125 Cb 0.26 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.92 1h3j h MET 125 CO -0.21 0.15 0.00 0.66 1.06 0.00 0.00 176.91 178.57 1h3j h SER 126 N 0.00 0.00 0.72 1.22 4.64 -1.12 -1.63 113.55 117.38 1h3j h SER 126 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1h3j h SER 126 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1h3j h SER 126 CO 0.02 0.00 -0.07 0.59 -0.87 0.00 0.00 176.83 176.50 1h3j n ASN 127 N -3.04 0.13 -4.37 4.97 5.03 -0.72 -3.93 115.26 113.34 1h3j n ASN 127 Ca -0.01 0.05 -0.37 0.00 0.87 0.00 0.00 54.58 55.13 1h3j n ASN 127 Cb 0.20 -0.29 -0.13 0.00 -1.02 0.00 0.00 39.78 38.55 1h3j n ASN 127 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1h3j n PRO 129 N 4.87 1.30 0.00 0.00 -0.02 -1.26 -2.35 135.00 137.54 1h3j n PRO 129 Ca -0.16 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 1h3j n PRO 129 Cb 0.50 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 1h3j n PRO 129 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h3j n GLY 130 N 1.28 3.38 3.77 -1.23 0.00 -0.52 -1.55 105.19 110.33 1h3j n GLY 130 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 1h3j n GLY 130 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1h3j s SER 131 N -0.99 6.39 0.96 1.61 0.01 -0.99 -4.81 113.70 115.88 1h3j s SER 131 Ca 0.00 2.54 -0.15 0.00 1.31 0.00 0.00 55.95 59.65 1h3j s SER 131 Cb 0.00 -2.63 0.18 0.00 0.21 0.00 0.00 66.02 63.78 1h3j s SER 131 CO 0.00 -0.78 1.23 -2.16 0.41 0.00 0.00 173.24 171.94 1h3j s PRO 132 N -2.25 0.70 -0.41 12.44 0.04 -1.26 -4.48 135.00 139.78 1h3j s PRO 132 Ca 0.57 -0.15 -0.15 0.00 0.04 0.00 0.00 61.00 61.31 1h3j s PRO 132 Cb -0.35 -1.83 0.02 0.00 0.04 0.00 0.00 34.50 32.38 1h3j s PRO 132 CO 0.45 -2.41 0.32 0.50 0.04 0.00 0.00 177.00 175.90 1h3j s ARG 133 N -5.66 2.99 0.30 4.56 3.52 -1.26 -4.81 118.95 118.59 1h3j s ARG 133 Ca 0.70 -1.00 -0.29 0.00 -0.13 0.00 0.00 55.73 55.01 1h3j s ARG 133 Cb -0.08 -3.98 -0.10 0.00 -1.56 0.00 0.00 34.95 29.23 1h3j s ARG 133 CO 0.53 -0.78 1.16 -0.51 -0.81 0.00 0.00 175.30 174.89 1h3j s LEU 134 N 1.74 4.49 0.54 -0.88 1.43 -1.26 -5.01 118.68 119.73 1h3j s LEU 134 Ca 0.06 2.38 -0.21 0.00 -1.03 0.00 0.00 54.13 55.33 1h3j s LEU 134 Cb -0.19 -3.67 -0.05 0.00 0.03 0.00 0.00 46.19 42.31 1h3j s LEU 134 CO 0.10 -0.29 1.26 -0.70 0.23 0.00 0.00 176.35 176.95 1h3j s GLU 135 N -1.62 3.22 -0.17 1.70 2.12 -1.26 -4.92 118.70 117.77 1h3j s GLU 135 Ca 0.47 1.98 -0.03 0.00 0.36 0.00 0.00 54.97 57.75 1h3j s GLU 135 Cb -0.34 -2.17 0.05 0.00 0.26 0.00 0.00 34.13 31.94 1h3j s GLU 135 CO 0.44 -1.05 0.03 0.12 -0.54 0.00 0.00 175.26 174.26 1h3j s PHE 136 N -1.46 0.91 -0.00 5.30 5.36 -1.26 -4.96 117.98 121.86 1h3j s PHE 136 Ca 0.72 -0.68 0.02 0.00 -0.96 0.00 0.00 56.93 56.03 1h3j s PHE 136 Cb -0.34 -0.96 -0.04 0.00 -0.34 0.00 0.00 43.02 41.34 1h3j s PHE 136 CO 0.39 -0.54 -0.00 -0.51 -1.46 0.00 0.00 175.22 173.10 1h3j s LEU 137 N 1.90 3.49 0.19 6.12 1.43 -1.26 -0.33 118.68 130.21 1h3j s LEU 137 Ca 0.01 -0.02 0.10 0.00 -1.03 0.00 0.00 54.13 53.19 1h3j s LEU 137 Cb -0.16 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.02 1h3j s LEU 137 CO -0.07 0.28 -0.20 0.28 0.23 0.00 0.00 176.35 176.87 1h3j s THR 138 N -1.08 2.03 0.00 5.49 -1.32 0.15 -4.88 115.64 116.03 1h3j s THR 138 Ca 0.19 -2.02 0.00 0.00 -1.21 0.00 0.00 61.69 58.65 1h3j s THR 138 Cb -0.11 -1.98 0.00 0.00 -1.51 0.00 0.00 72.50 68.89 1h3j s THR 138 CO 0.10 -0.29 0.00 0.61 -2.21 0.00 0.00 174.62 172.83 1h3j n GLY 139 N 0.15 0.99 3.74 6.08 0.00 -1.26 -0.63 105.19 114.26 1h3j n GLY 139 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 1h3j n GLY 139 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1h3j s ARG 140 N 0.00 4.17 0.60 1.61 0.52 -1.26 -4.93 118.95 119.65 1h3j s ARG 140 Ca 0.00 2.49 -0.19 0.00 -0.52 0.00 0.00 55.73 57.52 1h3j s ARG 140 Cb 0.00 -3.07 -0.05 0.00 0.52 0.00 0.00 34.95 32.35 1h3j s ARG 140 CO 0.00 -0.60 0.98 0.45 0.02 0.00 0.00 175.30 176.15 1h3j n SER 141 N 2.73 0.86 0.05 0.23 2.88 -1.26 -4.70 113.62 114.41 1h3j n SER 141 Ca 0.10 0.81 0.13 0.00 -1.33 0.00 0.00 58.87 58.58 1h3j n SER 141 Cb 0.38 -1.40 0.41 0.00 -0.75 0.00 0.00 64.21 62.85 1h3j n SER 141 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1h3j n ASN 142 N -0.78 0.51 -4.80 -3.46 5.15 -1.26 -4.72 115.26 105.91 1h3j n ASN 142 Ca 0.14 0.38 -0.37 0.00 -0.60 0.00 0.00 54.58 54.12 1h3j n ASN 142 Cb 0.47 -0.41 -0.06 0.00 -0.53 0.00 0.00 39.78 39.24 1h3j n ASN 142 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1h3j s SER 143 N -3.83 7.22 0.16 1.20 1.04 -1.26 -4.77 113.70 113.47 1h3j s SER 143 Ca 0.11 1.61 -0.24 0.00 0.48 0.00 0.00 55.95 57.91 1h3j s SER 143 Cb 0.15 -2.49 0.06 0.00 0.10 0.00 0.00 66.02 63.84 1h3j s SER 143 CO 0.61 0.03 0.70 -0.94 0.98 0.00 0.00 173.24 174.61 1h3j s SER 144 N -1.55 -0.44 0.18 7.02 1.04 -1.26 -5.02 113.70 113.66 1h3j s SER 144 Ca 0.44 -0.16 0.09 0.00 0.48 0.00 0.00 55.95 56.80 1h3j s SER 144 Cb -0.18 0.59 -0.04 0.00 0.10 0.00 0.00 66.02 66.48 1h3j s SER 144 CO 0.23 -0.99 -0.09 -1.10 0.98 0.00 0.00 173.24 172.26 1h3j s GLN 145 N -3.66 2.07 0.58 4.02 -0.21 -1.26 -5.00 119.66 116.20 1h3j s GLN 145 Ca 0.05 -1.27 -0.20 0.00 0.02 0.00 0.00 55.36 53.96 1h3j s GLN 145 Cb -0.02 -2.16 -0.04 0.00 1.00 0.00 0.00 33.01 31.79 1h3j s GLN 145 CO -0.07 0.43 1.29 -2.30 -2.12 0.00 0.00 175.29 172.53 1h3j n PRO 146 N 0.04 1.44 -2.52 2.91 -0.02 -1.26 -4.67 135.00 130.92 1h3j n PRO 146 Ca -0.11 0.54 -0.37 0.00 -2.02 0.00 0.00 63.50 61.54 1h3j n PRO 146 Cb 0.55 -2.51 -0.04 0.00 -0.02 0.00 0.00 33.50 31.49 1h3j n PRO 146 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1h3j s SER 147 N -1.07 6.86 0.76 2.55 0.15 -1.26 -4.82 113.70 116.87 1h3j s SER 147 Ca 0.75 2.10 -0.13 0.00 0.70 0.00 0.00 55.95 59.37 1h3j s SER 147 Cb -0.41 -2.60 0.06 0.00 -1.71 0.00 0.00 66.02 61.36 1h3j s SER 147 CO 0.47 -0.42 1.14 -2.84 1.20 0.00 0.00 173.24 172.79 1h3j s PRO 148 N -2.24 2.10 0.89 5.44 0.02 -1.26 -4.95 135.00 134.99 1h3j s PRO 148 Ca 0.55 1.48 -0.13 0.00 0.02 0.00 0.00 61.00 62.92 1h3j s PRO 148 Cb -0.25 -1.86 0.13 0.00 0.02 0.00 0.00 34.50 32.55 1h3j s PRO 148 CO 0.31 -1.81 1.19 -1.25 -0.33 0.00 0.00 177.00 175.11 1h3j s PRO 149 N -4.35 1.32 -1.48 5.54 0.04 -1.26 -4.40 135.00 130.42 1h3j s PRO 149 Ca 0.68 0.06 -0.06 0.00 0.04 0.00 0.00 61.00 61.72 1h3j s PRO 149 Cb -0.23 -1.88 0.01 0.00 0.04 0.00 0.00 34.50 32.44 1h3j s PRO 149 CO 0.49 -2.03 0.82 0.43 0.04 0.00 0.00 177.00 176.75 1h3j n SER 150 N -3.60 -6.23 -0.08 6.66 7.64 -1.26 -4.91 113.62 111.83 1h3j n SER 150 Ca 0.09 -0.38 0.03 0.00 1.01 0.00 0.00 58.87 59.63 1h3j n SER 150 Cb 0.60 -4.98 -0.02 0.00 -1.01 0.00 0.00 64.21 58.80 1h3j n SER 150 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1h3j n LEU 151 N -4.37 0.66 -4.60 -3.43 4.77 -1.26 -4.97 117.00 103.80 1h3j n LEU 151 Ca -0.07 -0.63 -0.38 0.00 -0.03 0.00 0.00 56.01 54.90 1h3j n LEU 151 Cb 0.60 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.58 1h3j n LEU 151 CO 0.53 0.14 -0.13 -0.63 -1.33 0.00 0.00 177.39 175.98 1h3j s ILE 152 N -1.39 5.29 0.42 -0.08 1.01 -1.26 -4.77 121.20 120.42 1h3j s ILE 152 Ca 0.04 0.24 -0.26 0.00 0.00 0.00 0.00 60.65 60.68 1h3j s ILE 152 Cb 0.06 -3.56 -0.09 0.00 0.01 0.00 0.00 42.46 38.87 1h3j s ILE 152 CO 0.23 0.24 1.37 -2.65 0.00 0.00 0.00 174.94 174.14 1h3j n PRO 153 N 5.05 2.18 -4.20 2.79 -0.02 -1.26 -4.99 135.00 134.55 1h3j n PRO 153 Ca -0.13 0.77 -0.23 0.00 -2.02 0.00 0.00 63.50 61.90 1h3j n PRO 153 Cb 0.52 -2.53 -0.06 0.00 -0.02 0.00 0.00 33.50 31.41 1h3j n PRO 153 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1h3j s GLY 154 N -0.44 1.64 0.15 -1.23 0.00 -1.26 -5.02 107.32 101.16 1h3j s GLY 154 Ca 0.60 -1.62 0.17 0.00 0.00 0.00 0.00 44.72 43.87 1h3j s GLY 154 CO 0.59 -1.65 1.52 -1.55 0.00 0.00 0.00 173.10 172.01 1h3j n PRO 155 N -1.03 0.09 0.00 2.90 -0.04 -1.26 -1.78 135.00 133.89 1h3j n PRO 155 Ca -0.06 0.41 0.12 0.00 -0.04 0.00 0.00 63.50 63.93 1h3j n PRO 155 Cb 0.59 -1.71 0.12 0.00 -0.04 0.00 0.00 33.50 32.46 1h3j n PRO 155 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1h3j n GLY 156 N -0.40 0.65 3.79 0.55 0.00 -1.26 -2.57 105.19 105.95 1h3j n GLY 156 Ca 0.02 -0.65 -0.34 0.00 0.00 0.00 0.00 46.02 45.05 1h3j n GLY 156 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1h3j s ASN 157 N -2.13 5.84 0.72 1.61 0.02 -0.73 -5.02 114.94 115.25 1h3j s ASN 157 Ca 0.26 1.97 -0.11 0.00 -1.02 0.00 0.00 52.86 53.97 1h3j s ASN 157 Cb 0.20 -2.56 0.02 0.00 0.02 0.00 0.00 41.25 38.93 1h3j s ASN 157 CO 0.37 -1.13 1.07 0.42 0.02 0.00 0.00 177.10 177.86 1h3j s THR 158 N -2.11 3.75 0.25 1.60 -4.23 -1.26 -4.76 115.64 108.88 1h3j s THR 158 Ca 0.68 0.57 -0.05 0.00 -1.18 0.00 0.00 61.69 61.70 1h3j s THR 158 Cb -0.19 -3.37 0.21 0.00 1.34 0.00 0.00 72.50 70.49 1h3j s THR 158 CO 0.30 -0.74 1.87 0.58 -0.54 0.00 0.00 174.62 176.08 1h3j h VAL 159 N -0.78 1.25 -0.39 2.29 2.07 -1.95 -0.49 116.25 118.25 1h3j h VAL 159 Ca -0.45 -0.63 0.01 0.00 0.82 0.00 0.00 66.70 66.45 1h3j h VAL 159 Cb 1.23 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1h3j h VAL 159 CO 0.59 0.28 0.24 0.74 0.02 0.00 0.00 177.57 179.44 1h3j h THR 160 N 1.17 1.06 -0.55 2.57 2.02 -1.99 -0.14 112.91 117.05 1h3j h THR 160 Ca 0.29 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 67.29 1h3j h THR 160 Cb 0.05 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 1h3j h THR 160 CO -0.04 0.09 0.29 0.00 0.37 0.00 0.00 175.52 176.23 1h3j h ALA 161 N 1.17 0.70 -0.34 6.16 0.00 -1.68 -0.97 119.26 124.31 1h3j h ALA 161 Ca 0.15 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1h3j h ALA 161 Cb -0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1h3j h ALA 161 CO -0.06 0.23 0.10 0.82 0.00 0.00 0.00 179.25 180.34 1h3j h ILE 162 N 0.74 1.21 -0.58 0.00 2.04 -0.72 -2.18 117.51 118.02 1h3j h ILE 162 Ca 0.19 -0.69 -0.09 0.00 1.00 0.00 0.00 64.86 65.27 1h3j h ILE 162 Cb 0.06 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1h3j h ILE 162 CO -0.03 0.24 0.01 -0.07 0.00 0.00 0.00 178.15 178.30 1h3j h LEU 163 N 0.39 0.96 -0.26 1.44 3.38 -0.91 -0.64 115.31 119.68 1h3j h LEU 163 Ca 0.11 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 1h3j h LEU 163 Cb 0.26 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1h3j h LEU 163 CO -0.00 1.01 0.05 0.44 0.09 0.00 0.00 178.44 180.03 1h3j h ASP 164 N 0.91 0.40 0.53 -0.43 3.32 -1.03 0.27 116.42 120.39 1h3j h ASP 164 Ca 0.17 -0.25 -0.03 0.00 0.02 0.00 0.00 57.03 56.95 1h3j h ASP 164 Cb 0.52 -0.11 0.01 0.00 0.22 0.00 0.00 39.33 39.97 1h3j h ASP 164 CO 0.03 0.55 -0.26 -0.09 -1.72 0.00 0.00 179.24 177.74 1h3j h ARG 165 N 0.24 -0.69 -0.63 3.56 9.65 -1.25 -0.20 114.38 125.06 1h3j h ARG 165 Ca 0.08 0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 59.00 1h3j h ARG 165 Cb 0.31 0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 29.01 1h3j h ARG 165 CO 0.00 -0.42 0.38 0.52 2.80 0.00 0.00 179.97 183.25 1h3j h MET 166 N -0.81 0.85 -0.72 0.20 2.86 -1.13 -1.71 114.93 114.46 1h3j h MET 166 Ca -0.07 -0.07 -0.06 0.00 -2.06 0.00 0.00 59.70 57.44 1h3j h MET 166 Cb 0.59 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 32.04 1h3j h MET 166 CO 0.12 0.59 0.23 0.78 1.06 0.00 0.00 176.91 179.70 1h3j h GLY 167 N 0.90 1.20 0.98 8.32 0.00 -0.29 -0.38 103.07 113.79 1h3j h GLY 167 Ca 0.23 -0.70 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 1h3j h GLY 167 CO -0.04 0.65 0.26 -1.80 0.00 0.00 0.00 176.54 175.61 1h3j h ASP 168 N 1.07 0.63 0.23 0.19 -0.00 -0.16 -2.16 116.42 116.22 1h3j h ASP 168 Ca 0.24 -0.11 -0.01 0.00 -0.00 0.00 0.00 57.03 57.15 1h3j h ASP 168 Cb 0.29 -0.16 -0.00 0.00 -0.00 0.00 0.00 39.33 39.46 1h3j h ASP 168 CO -0.01 0.55 -0.06 0.00 -0.00 0.00 0.00 179.24 179.72 1h3j h ALA 169 N 1.10 1.32 0.00 -0.78 0.00 -0.84 -3.37 119.26 116.69 1h3j h ALA 169 Ca 0.17 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1h3j h ALA 169 Cb 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1h3j h ALA 169 CO -0.03 0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.71 1h3j n GLY 170 N -0.91 1.79 3.62 0.00 0.00 -0.73 -4.96 105.19 104.00 1h3j n GLY 170 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 1h3j n GLY 170 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1h3j s PHE 171 N -2.00 3.08 0.78 1.61 0.08 -0.23 -4.98 117.98 116.32 1h3j s PHE 171 Ca 0.00 0.05 -0.12 0.00 0.12 0.00 0.00 56.93 56.98 1h3j s PHE 171 Cb 0.00 -1.82 0.06 0.00 -0.57 0.00 0.00 43.02 40.69 1h3j s PHE 171 CO 0.00 0.32 1.15 -1.54 -0.10 0.00 0.00 175.22 175.05 1h3j s SER 172 N -0.56 4.79 0.30 1.36 1.04 -1.26 -3.32 113.70 116.05 1h3j s SER 172 Ca 0.09 0.88 -0.01 0.00 0.48 0.00 0.00 55.95 57.39 1h3j s SER 172 Cb -0.12 -1.46 0.49 0.00 0.10 0.00 0.00 66.02 65.03 1h3j s SER 172 CO 0.02 -1.73 1.94 -0.65 0.98 0.00 0.00 173.24 173.80 1h3j h PRO 173 N -0.93 1.04 -0.29 4.02 0.11 -1.93 -1.21 132.00 132.81 1h3j h PRO 173 Ca -0.46 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 65.60 1h3j h PRO 173 Cb 1.31 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 1h3j h PRO 173 CO 0.65 0.69 0.16 -0.44 -0.21 0.00 0.00 178.00 178.85 1h3j h ASP 174 N 1.07 0.26 0.04 -2.05 3.32 -1.93 -2.27 116.42 114.87 1h3j h ASP 174 Ca 0.34 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.35 1h3j h ASP 174 Cb 0.03 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1h3j h ASP 174 CO -0.10 0.19 -0.14 -0.33 -1.72 0.00 0.00 179.24 177.14 1h3j h GLU 175 N 0.34 0.21 -0.29 3.56 5.08 -1.70 -1.08 114.58 120.68 1h3j h GLU 175 Ca 0.11 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1h3j h GLU 175 Cb 0.00 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1h3j h GLU 175 CO -0.05 0.35 0.15 0.28 -1.00 0.00 0.00 179.01 178.74 1h3j h VAL 176 N 0.20 1.14 -0.69 3.13 2.07 -0.86 0.20 116.25 121.43 1h3j h VAL 176 Ca 0.04 -0.39 -0.04 0.00 0.82 0.00 0.00 66.70 67.13 1h3j h VAL 176 Cb 0.37 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 1h3j h VAL 176 CO 0.02 0.14 0.27 0.58 0.02 0.00 0.00 177.57 178.60 1h3j h VAL 177 N 0.35 1.25 -0.61 2.57 2.07 -1.01 -2.52 116.25 118.34 1h3j h VAL 177 Ca 0.10 -0.78 -0.04 0.00 0.82 0.00 0.00 66.70 66.81 1h3j h VAL 177 Cb 0.09 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 1h3j h VAL 177 CO -0.01 0.31 0.24 0.44 0.02 0.00 0.00 177.57 178.57 1h3j h ASP 178 N 0.99 0.85 0.15 0.57 3.32 -0.93 -2.43 116.42 118.93 1h3j h ASP 178 Ca 0.23 -0.17 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 1h3j h ASP 178 Cb 0.22 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1h3j h ASP 178 CO -0.02 0.79 -0.17 -0.07 -1.72 0.00 0.00 179.24 178.05 1h3j h LEU 179 N 0.86 0.05 0.00 1.55 4.07 -0.83 -2.58 115.31 118.43 1h3j h LEU 179 Ca 0.20 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.16 1h3j h LEU 179 Cb 0.21 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 41.93 1h3j h LEU 179 CO -0.02 0.23 0.00 0.18 -1.08 0.00 0.00 178.44 177.76 1h3j n LEU 180 N -4.31 0.00 0.31 1.67 4.77 -0.92 -2.70 117.00 115.82 1h3j n LEU 180 Ca -0.02 0.02 0.19 0.00 -0.03 0.00 0.00 56.01 56.18 1h3j n LEU 180 Cb 0.25 -0.02 0.97 0.00 -2.33 0.00 0.00 43.42 42.29 1h3j n LEU 180 CO 0.37 -0.01 1.09 0.00 -1.33 0.00 0.00 177.39 177.51 1h3j h ALA 181 N 2.98 1.07 0.00 -1.18 0.00 -1.55 -3.38 119.26 117.20 1h3j h ALA 181 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1h3j h ALA 181 Cb 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1h3j h ALA 181 CO 0.00 0.02 0.58 0.00 0.00 0.00 0.00 179.25 179.86 1h3j n ALA 182 N -2.13 1.01 0.00 0.00 0.00 -1.10 -4.32 120.51 113.97 1h3j n ALA 182 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1h3j n ALA 182 Cb 0.17 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.32 1h3j n ALA 182 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1h3j n SER 184 N 3.34 0.00 -3.17 0.00 2.88 -1.26 -4.13 113.62 111.28 1h3j n SER 184 Ca 0.00 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.30 1h3j n SER 184 Cb 0.00 -0.71 -0.05 0.00 -0.75 0.00 0.00 64.21 62.70 1h3j n SER 184 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1h3j n LEU 185 N 0.00 2.28 -3.77 2.46 4.77 -1.26 -4.22 117.00 117.26 1h3j n LEU 185 Ca 0.00 -5.21 -0.10 0.00 -0.03 0.00 0.00 56.01 50.66 1h3j n LEU 185 Cb 0.00 0.07 -0.07 0.00 -2.33 0.00 0.00 43.42 41.09 1h3j n LEU 185 CO 0.00 2.21 0.01 0.00 -1.33 0.00 0.00 177.39 178.28 1h3j s ALA 186 N -2.45 -0.57 0.36 -1.18 0.00 -1.26 -4.71 121.76 111.96 1h3j s ALA 186 Ca 0.41 -0.22 -0.00 0.00 0.00 0.00 0.00 51.96 52.15 1h3j s ALA 186 Cb 0.25 0.44 0.00 0.00 0.00 0.00 0.00 23.12 23.81 1h3j s ALA 186 CO -0.09 -0.48 0.47 -1.54 0.00 0.00 0.00 175.76 174.11 1h3j s SER 187 N -2.45 1.15 0.00 0.00 1.04 -1.26 -0.58 113.70 111.59 1h3j s SER 187 Ca -0.00 -1.58 0.04 0.00 0.48 0.00 0.00 55.95 54.89 1h3j s SER 187 Cb 0.01 0.67 -0.01 0.00 0.10 0.00 0.00 66.02 66.79 1h3j s SER 187 CO -0.07 -1.30 -0.13 0.00 0.98 0.00 0.00 173.24 172.71 1h3j s GLN 188 N -2.96 1.01 -0.00 4.02 1.03 -0.98 -4.87 119.66 116.90 1h3j s GLN 188 Ca 0.32 -0.52 0.00 0.00 0.04 0.00 0.00 55.36 55.20 1h3j s GLN 188 Cb -0.00 -0.98 -0.00 0.00 0.03 0.00 0.00 33.01 32.05 1h3j s GLN 188 CO 0.23 0.26 0.00 0.39 -2.54 0.00 0.00 175.29 173.63 1h3j n GLU 189 N 2.57 3.04 -0.00 9.60 1.02 -1.26 -0.36 120.64 135.25 1h3j n GLU 189 Ca -0.15 -0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.08 1h3j n GLU 189 Cb 0.55 -1.01 -0.12 0.00 -0.02 0.00 0.00 31.44 30.85 1h3j n GLU 189 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1h3j n GLY 190 N 2.87 -0.82 0.08 0.62 0.00 -1.26 -4.07 105.19 102.61 1h3j n GLY 190 Ca -0.00 -0.52 -0.07 0.00 0.00 0.00 0.00 46.02 45.42 1h3j n GLY 190 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1h3j h LEU 191 N 0.00 0.05 -6.02 0.99 3.38 -1.88 -3.41 115.31 108.42 1h3j h LEU 191 Ca 0.00 -0.05 -0.23 0.00 0.09 0.00 0.00 57.88 57.69 1h3j h LEU 191 Cb 0.56 -0.02 -0.24 0.00 0.09 0.00 0.00 40.66 41.05 1h3j h LEU 191 CO 0.00 0.98 -0.58 0.21 0.09 0.00 0.00 178.44 179.14 1h3j s ASN 192 N -6.78 -0.28 0.45 -0.43 3.84 -1.26 -1.99 114.94 108.49 1h3j s ASN 192 Ca 0.00 -1.38 0.30 0.00 0.21 0.00 0.00 52.86 51.99 1h3j s ASN 192 Cb 0.10 1.26 1.64 0.00 -0.55 0.00 0.00 41.25 43.70 1h3j s ASN 192 CO 0.82 -0.19 1.92 0.77 -2.79 0.00 0.00 177.10 177.64 1h3j h SER 193 N 6.65 0.00 0.71 -4.21 4.64 -1.81 -1.77 113.55 117.76 1h3j h SER 193 Ca 0.07 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.33 1h3j h SER 193 Cb 1.10 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.19 1h3j h SER 193 CO 0.14 0.00 -0.26 0.00 -0.87 0.00 0.00 176.83 175.84 1h3j h ALA 194 N 2.00 1.11 -2.19 5.18 0.00 -1.95 -3.07 119.26 120.34 1h3j h ALA 194 Ca 0.00 -0.24 -0.58 0.00 0.00 0.00 0.00 54.91 54.09 1h3j h ALA 194 Cb 0.00 -0.04 -0.42 0.00 0.00 0.00 0.00 17.79 17.33 1h3j h ALA 194 CO 0.00 0.33 -0.69 0.44 0.00 0.00 0.00 179.25 179.33 1h3j n ILE 195 N -3.56 2.78 -1.68 0.00 -5.35 -0.66 -4.94 119.36 105.93 1h3j n ILE 195 Ca -0.01 -5.44 -0.45 0.00 -0.27 0.00 0.00 62.75 56.58 1h3j n ILE 195 Cb 0.41 -1.29 -0.04 0.00 -1.74 0.00 0.00 39.64 36.98 1h3j n ILE 195 CO 0.00 0.00 0.00 0.33 -1.76 0.00 0.00 176.55 175.12 1h3j n PHE 196 N -0.23 2.42 -1.73 4.28 -0.00 -1.16 -1.98 117.46 119.05 1h3j n PHE 196 Ca 0.31 0.05 -0.12 0.00 -0.00 0.00 0.00 57.45 57.69 1h3j n PHE 196 Cb 0.44 -2.64 -0.03 0.00 -0.00 0.00 0.00 39.48 37.24 1h3j n PHE 196 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 1h3j n ARG 197 N 5.05 -0.86 -2.02 -4.13 1.74 0.51 -4.82 116.66 112.13 1h3j n ARG 197 Ca 0.19 0.75 -0.42 0.00 -0.77 0.00 0.00 57.85 57.60 1h3j n ARG 197 Cb 0.32 -4.81 -0.03 0.00 -1.02 0.00 0.00 32.46 26.92 1h3j n ARG 197 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1h3j s SER 198 N -2.70 6.68 0.70 0.55 1.04 -0.84 -0.63 113.70 118.50 1h3j s SER 198 Ca 0.00 2.41 -0.13 0.00 0.48 0.00 0.00 55.95 58.71 1h3j s SER 198 Cb 0.00 -2.57 0.02 0.00 0.10 0.00 0.00 66.02 63.57 1h3j s SER 198 CO 0.00 -0.81 1.09 -2.84 0.98 0.00 0.00 173.24 171.66 1h3j s PRO 199 N 2.13 2.68 0.06 4.02 0.02 -1.25 -2.33 135.00 140.33 1h3j s PRO 199 Ca 0.70 1.20 0.25 0.00 0.02 0.00 0.00 61.00 63.17 1h3j s PRO 199 Cb -0.38 -1.95 0.45 0.00 0.02 0.00 0.00 34.50 32.64 1h3j s PRO 199 CO 0.31 -1.32 1.39 1.28 -0.33 0.00 0.00 177.00 178.32 1h3j n LEU 200 N -2.93 0.57 -4.00 -5.54 4.32 0.25 -1.61 117.00 108.07 1h3j n LEU 200 Ca 0.09 0.14 -0.10 0.00 -0.02 0.00 0.00 56.01 56.13 1h3j n LEU 200 Cb 0.53 -0.23 -0.06 0.00 -1.62 0.00 0.00 43.42 42.04 1h3j n LEU 200 CO 0.51 0.02 0.06 1.51 -1.22 0.00 0.00 177.39 178.28 1h3j s ASP 201 N -3.65 -0.03 0.00 -1.43 -4.77 -1.26 -4.83 116.67 100.70 1h3j s ASP 201 Ca 0.09 -0.95 0.13 0.00 -3.30 0.00 0.00 52.55 48.52 1h3j s ASP 201 Cb 0.15 0.51 0.58 0.00 -1.09 0.00 0.00 42.92 43.07 1h3j s ASP 201 CO 0.70 -1.02 1.43 -1.54 0.70 0.00 0.00 175.17 175.45 1h3j n SER 202 N -0.31 0.00 -3.39 2.11 3.41 -1.26 -4.01 113.62 110.17 1h3j n SER 202 Ca -0.03 0.50 -0.26 0.00 -0.26 0.00 0.00 58.87 58.82 1h3j n SER 202 Cb 0.63 -0.50 -0.09 0.00 -0.26 0.00 0.00 64.21 63.99 1h3j n SER 202 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1h3j n THR 203 N -1.50 0.37 0.40 6.66 -2.24 -1.26 -4.94 114.28 111.77 1h3j n THR 203 Ca 0.03 -4.35 0.06 0.00 -2.27 0.00 0.00 64.05 57.52 1h3j n THR 203 Cb 0.16 -1.97 0.25 0.00 -2.10 0.00 0.00 70.33 66.67 1h3j n THR 203 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1h3j n PRO 204 N 1.62 0.01 -0.27 -0.78 -0.04 -1.26 -2.12 135.00 132.16 1h3j n PRO 204 Ca 0.25 0.30 0.07 0.00 -0.04 0.00 0.00 63.50 64.07 1h3j n PRO 204 Cb 0.46 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.61 1h3j n PRO 204 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1h3j n GLN 205 N -1.49 2.89 -3.94 0.54 6.02 -1.26 -4.27 117.38 115.87 1h3j n GLN 205 Ca 0.03 -2.33 -0.24 0.00 -0.01 0.00 0.00 57.00 54.46 1h3j n GLN 205 Cb 0.13 -1.47 -0.17 0.00 1.02 0.00 0.00 30.24 29.75 1h3j n GLN 205 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1h3j s VAL 206 N -1.67 0.67 -0.87 5.09 1.01 -0.90 -3.99 120.40 119.74 1h3j s VAL 206 Ca 0.30 -0.10 -0.25 0.00 0.00 0.00 0.00 61.98 61.93 1h3j s VAL 206 Cb 0.20 -0.74 0.04 0.00 0.00 0.00 0.00 36.38 35.88 1h3j s VAL 206 CO 0.13 0.30 1.35 0.12 0.00 0.00 0.00 175.10 177.00 1h3j s PHE 207 N 1.60 2.42 0.24 5.22 5.36 -0.59 -4.70 117.98 127.53 1h3j s PHE 207 Ca 0.01 -0.45 -0.00 0.00 -0.96 0.00 0.00 56.93 55.52 1h3j s PHE 207 Cb -0.13 -4.65 -0.03 0.00 -0.34 0.00 0.00 43.02 37.87 1h3j s PHE 207 CO -0.05 -2.00 0.22 0.16 -1.46 0.00 0.00 175.22 172.09 1h3j s ASP 208 N 4.32 0.55 0.00 6.13 1.47 -1.26 -4.39 116.67 123.50 1h3j s ASP 208 Ca 0.40 -1.45 0.23 0.00 1.18 0.00 0.00 52.55 52.91 1h3j s ASP 208 Cb -0.04 0.46 1.31 0.00 -0.34 0.00 0.00 42.92 44.31 1h3j s ASP 208 CO 0.03 -0.95 1.72 0.35 0.68 0.00 0.00 175.17 177.00 1h3j n THR 209 N -0.38 0.05 -0.34 2.11 -2.24 -1.26 -4.12 114.28 108.10 1h3j n THR 209 Ca 0.03 0.01 0.18 0.00 -2.27 0.00 0.00 64.05 62.00 1h3j n THR 209 Cb 0.64 -0.66 0.40 0.00 -2.10 0.00 0.00 70.33 68.62 1h3j n THR 209 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1h3j h GLN 210 N 0.00 0.55 -0.43 -0.78 1.08 -1.91 -1.81 115.11 111.81 1h3j h GLN 210 Ca 0.00 -0.03 0.03 0.00 -1.45 0.00 0.00 58.65 57.20 1h3j h GLN 210 Cb 0.03 -0.12 -0.04 0.00 -0.05 0.00 0.00 27.48 27.30 1h3j h GLN 210 CO 0.00 0.37 0.22 0.35 -0.95 0.00 0.00 178.83 178.82 1h3j h PHE 211 N 0.57 0.41 -0.41 2.96 3.57 -1.88 0.25 116.94 122.41 1h3j h PHE 211 Ca 0.63 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 62.04 1h3j h PHE 211 Cb 1.24 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.84 1h3j h PHE 211 CO -0.01 0.21 -0.16 1.88 -2.23 0.00 0.00 178.31 178.01 1h3j h TYR 212 N 0.45 0.85 0.21 0.41 0.05 -1.65 -2.39 116.97 114.90 1h3j h TYR 212 Ca 0.19 -0.17 -0.01 0.00 0.05 0.00 0.00 58.73 58.79 1h3j h TYR 212 Cb 0.08 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 37.61 1h3j h TYR 212 CO -0.10 0.87 -0.10 0.82 -1.05 0.00 0.00 178.16 178.60 1h3j h ILE 213 N 0.69 0.80 -0.17 -2.88 2.04 -1.09 -3.27 117.51 113.62 1h3j h ILE 213 Ca 0.11 -0.93 -0.02 0.00 1.00 0.00 0.00 64.86 65.02 1h3j h ILE 213 Cb 0.64 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 1h3j h ILE 213 CO 0.05 0.18 0.02 -0.33 0.00 0.00 0.00 178.15 178.07 1h3j h GLU 214 N -0.81 0.25 0.00 2.37 5.08 -0.54 -2.41 114.58 118.51 1h3j h GLU 214 Ca -0.03 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1h3j h GLU 214 Cb 0.51 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1h3j h GLU 214 CO 0.05 0.25 0.00 1.79 -1.00 0.00 0.00 179.01 180.10 1h3j h THR 215 N 0.25 0.00 -0.00 1.13 1.35 -1.53 -2.98 112.91 111.12 1h3j h THR 215 Ca 0.06 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 1h3j h THR 215 Cb 0.14 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 67.90 1h3j h THR 215 CO -0.00 0.00 -0.42 0.18 -0.25 0.00 0.00 175.52 175.03 1h3j n LEU 216 N -2.45 0.76 -4.81 3.87 4.77 -0.91 -4.81 117.00 113.42 1h3j n LEU 216 Ca 0.03 -0.14 -0.32 0.00 -0.03 0.00 0.00 56.01 55.55 1h3j n LEU 216 Cb 0.35 -0.18 0.03 0.00 -2.33 0.00 0.00 43.42 41.28 1h3j n LEU 216 CO 0.26 0.16 0.71 -0.76 -1.33 0.00 0.00 177.39 176.44 1h3j s LEU 217 N -2.79 3.32 0.27 2.23 1.43 -1.13 -0.50 118.68 121.52 1h3j s LEU 217 Ca 0.16 1.71 -0.30 0.00 -1.03 0.00 0.00 54.13 54.67 1h3j s LEU 217 Cb 0.18 -4.51 -0.11 0.00 0.03 0.00 0.00 46.19 41.78 1h3j s LEU 217 CO 0.63 -1.27 1.54 -0.54 0.23 0.00 0.00 176.35 176.94 1h3j s LYS 218 N -4.55 4.18 -0.05 1.70 1.02 -0.14 -4.78 119.74 117.12 1h3j s LYS 218 Ca 0.61 2.47 -0.30 0.00 0.02 0.00 0.00 55.97 58.77 1h3j s LYS 218 Cb -0.15 -3.06 -0.02 0.00 -0.52 0.00 0.00 37.83 34.08 1h3j s LYS 218 CO 0.45 -0.56 1.04 0.20 -0.92 0.00 0.00 175.35 175.57 1h3j s GLY 219 N 0.46 2.53 0.00 -3.33 0.00 -1.26 -4.33 107.32 101.39 1h3j s GLY 219 Ca 0.62 0.50 0.00 0.00 0.00 0.00 0.00 44.72 45.84 1h3j s GLY 219 CO 0.46 1.88 0.00 -1.30 0.00 0.00 0.00 173.10 174.14 1h3j n THR 220 N 4.28 0.00 -4.70 0.90 -2.24 0.49 -4.85 114.28 108.15 1h3j n THR 220 Ca 0.08 -0.09 -0.26 0.00 -2.27 0.00 0.00 64.05 61.51 1h3j n THR 220 Cb 0.49 0.78 -0.14 0.00 -2.10 0.00 0.00 70.33 69.36 1h3j n THR 220 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1h3j s THR 221 N -0.31 1.64 -0.41 4.28 2.01 0.52 -4.92 115.64 118.44 1h3j s THR 221 Ca 0.00 -1.13 -0.06 0.00 0.31 0.00 0.00 61.69 60.81 1h3j s THR 221 Cb 0.00 -1.41 0.09 0.00 0.01 0.00 0.00 72.50 71.19 1h3j s THR 221 CO 0.00 0.25 0.23 -1.58 -0.69 0.00 0.00 174.62 172.82 1h3j s GLN 222 N -1.04 2.33 0.46 4.92 0.74 -1.26 -0.21 119.66 125.60 1h3j s GLN 222 Ca 0.07 -1.63 0.24 0.00 0.05 0.00 0.00 55.36 54.09 1h3j s GLN 222 Cb -0.09 -3.67 1.10 0.00 1.10 0.00 0.00 33.01 31.46 1h3j s GLN 222 CO 0.01 -1.01 1.91 -1.00 -0.55 0.00 0.00 175.29 174.66 1h3j h PRO 223 N 8.23 0.00 -5.84 1.67 0.13 -1.88 -3.46 132.00 130.86 1h3j h PRO 223 Ca -0.19 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.35 1h3j h PRO 223 Cb 1.07 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.13 1h3j h PRO 223 CO 0.73 0.21 -0.34 0.20 -0.23 0.00 0.00 178.00 178.57 1h3j s GLY 224 N -4.26 2.45 0.47 1.56 0.00 -1.26 -4.69 107.32 101.59 1h3j s GLY 224 Ca -0.01 -1.19 0.16 0.00 0.00 0.00 0.00 44.72 43.68 1h3j s GLY 224 CO 0.63 -1.97 2.03 -2.55 0.00 0.00 0.00 173.10 171.24 1h3j h PRO 225 N 0.86 0.25 -3.56 2.90 0.11 -1.92 -3.44 132.00 127.21 1h3j h PRO 225 Ca -0.38 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.62 1h3j h PRO 225 Cb 1.30 -0.06 -0.06 0.00 0.11 0.00 0.00 31.00 32.29 1h3j h PRO 225 CO 0.60 0.17 -0.01 -1.54 -0.21 0.00 0.00 178.00 177.01 1h3j s SER 226 N -6.46 0.20 -0.13 -2.05 1.04 -1.26 -5.14 113.70 99.88 1h3j s SER 226 Ca -0.07 -1.10 -0.21 0.00 0.48 0.00 0.00 55.95 55.05 1h3j s SER 226 Cb 0.19 0.69 -0.03 0.00 0.10 0.00 0.00 66.02 66.96 1h3j s SER 226 CO 0.73 -1.34 0.64 -0.76 0.98 0.00 0.00 173.24 173.49 1h3j s LEU 227 N -3.08 4.23 0.00 2.42 1.02 -1.26 -4.93 118.68 117.08 1h3j s LEU 227 Ca 0.22 0.98 0.00 0.00 0.02 0.00 0.00 54.13 55.34 1h3j s LEU 227 Cb -0.02 -2.94 0.00 0.00 0.02 0.00 0.00 46.19 43.25 1h3j s LEU 227 CO 0.13 -0.17 0.00 0.61 0.02 0.00 0.00 176.35 176.94 1h3j n GLY 228 N 3.42 -0.02 3.73 -3.19 0.00 -1.26 -4.96 105.19 102.92 1h3j n GLY 228 Ca -0.02 -1.82 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 1h3j n GLY 228 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1h3j s PHE 229 N -0.09 3.22 -1.39 1.61 5.36 -0.84 -2.79 117.98 123.07 1h3j s PHE 229 Ca 0.00 1.08 -0.01 0.00 -0.96 0.00 0.00 56.93 57.04 1h3j s PHE 229 Cb 0.00 -3.66 0.00 0.00 -0.34 0.00 0.00 43.02 39.02 1h3j s PHE 229 CO 0.00 -2.19 0.05 0.00 -1.46 0.00 0.00 175.22 171.62 1h3j n ALA 230 N 3.16 -0.74 -2.75 11.12 0.00 -1.26 -4.83 120.51 125.21 1h3j n ALA 230 Ca 0.08 0.14 -0.35 0.00 0.00 0.00 0.00 53.44 53.31 1h3j n ALA 230 Cb 0.42 -1.98 -0.08 0.00 0.00 0.00 0.00 19.45 17.82 1h3j n ALA 230 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1h3j s GLU 231 N -5.12 4.07 0.40 0.00 2.12 -1.12 -0.50 118.70 118.56 1h3j s GLU 231 Ca 0.03 -0.21 0.08 0.00 0.36 0.00 0.00 54.97 55.23 1h3j s GLU 231 Cb -0.02 -3.38 -0.04 0.00 0.26 0.00 0.00 34.13 30.95 1h3j s GLU 231 CO 0.04 0.38 0.26 -1.21 -0.54 0.00 0.00 175.26 174.18 1h3j s GLU 232 N 0.14 2.39 0.33 4.30 0.41 -0.39 -4.80 118.70 121.09 1h3j s GLU 232 Ca 0.09 -1.65 -0.28 0.00 -0.41 0.00 0.00 54.97 52.72 1h3j s GLU 232 Cb -0.11 -2.19 -0.09 0.00 -1.78 0.00 0.00 34.13 29.95 1h3j s GLU 232 CO -0.01 -0.10 1.18 -0.51 -0.49 0.00 0.00 175.26 175.33 1h3j s LEU 233 N -3.99 4.39 0.00 1.80 1.02 -1.26 -4.24 118.68 116.40 1h3j s LEU 233 Ca 0.43 2.40 0.07 0.00 0.02 0.00 0.00 54.13 57.06 1h3j s LEU 233 Cb -0.00 -3.77 0.07 0.00 0.02 0.00 0.00 46.19 42.51 1h3j s LEU 233 CO 0.25 -0.43 0.59 -1.54 0.02 0.00 0.00 176.35 175.25 1h3j n SER 234 N 0.70 2.48 0.02 2.29 3.41 0.71 -4.43 113.62 118.79 1h3j n SER 234 Ca 0.01 -2.75 0.13 0.00 -0.26 0.00 0.00 58.87 56.00 1h3j n SER 234 Cb 0.45 -0.22 0.37 0.00 -0.26 0.00 0.00 64.21 64.54 1h3j n SER 234 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1h3j n PRO 235 N -2.02 0.06 -3.50 4.33 -0.04 -1.26 -0.36 135.00 132.22 1h3j n PRO 235 Ca 0.06 0.03 -0.10 0.00 -0.04 0.00 0.00 63.50 63.45 1h3j n PRO 235 Cb 0.62 -1.55 -0.02 0.00 -0.04 0.00 0.00 33.50 32.51 1h3j n PRO 235 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1h3j s PHE 236 N -3.03 -0.42 0.46 0.54 -0.71 -1.26 -4.76 117.98 108.79 1h3j s PHE 236 Ca 0.11 0.22 -0.23 0.00 -1.04 0.00 0.00 56.93 55.99 1h3j s PHE 236 Cb 0.17 0.56 -0.10 0.00 -1.21 0.00 0.00 43.02 42.45 1h3j s PHE 236 CO 0.64 -0.74 0.96 -2.30 -1.34 0.00 0.00 175.22 172.45 1h3j n PRO 237 N -0.33 1.22 0.00 1.99 -0.02 -1.25 -2.77 135.00 133.83 1h3j n PRO 237 Ca -0.12 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1h3j n PRO 237 Cb 0.63 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 1h3j n PRO 237 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h3j n GLY 238 N 1.25 2.76 3.73 -1.23 0.00 -1.26 -1.11 105.19 109.33 1h3j n GLY 238 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 1h3j n GLY 238 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1h3j s GLU 239 N -0.06 4.41 -0.09 1.61 2.12 -1.12 -3.89 118.70 121.69 1h3j s GLU 239 Ca 0.00 0.82 -0.05 0.00 0.36 0.00 0.00 54.97 56.10 1h3j s GLU 239 Cb 0.00 -3.42 -0.04 0.00 0.26 0.00 0.00 34.13 30.93 1h3j s GLU 239 CO 0.00 0.14 0.12 0.12 -0.54 0.00 0.00 175.26 175.10 1h3j s PHE 240 N 0.55 3.50 -0.14 5.30 2.19 -0.63 -4.62 117.98 124.13 1h3j s PHE 240 Ca 0.35 0.42 0.01 0.00 0.33 0.00 0.00 56.93 58.05 1h3j s PHE 240 Cb -0.18 -1.88 0.02 0.00 -1.31 0.00 0.00 43.02 39.67 1h3j s PHE 240 CO 0.17 0.67 -0.18 0.50 1.83 0.00 0.00 175.22 178.21 1h3j s ARG 241 N -1.23 2.63 0.11 10.12 3.52 -1.26 -4.45 118.95 128.40 1h3j s ARG 241 Ca 0.18 -0.70 -0.09 0.00 -0.13 0.00 0.00 55.73 54.99 1h3j s ARG 241 Cb -0.12 -2.25 -0.06 0.00 -1.56 0.00 0.00 34.95 30.96 1h3j s ARG 241 CO 0.07 -0.13 0.41 0.00 -0.81 0.00 0.00 175.30 174.84 1h3j s MET 242 N 1.15 3.73 0.19 5.12 0.23 -1.26 -1.26 119.30 127.20 1h3j s MET 242 Ca -0.01 0.12 -0.14 0.00 -1.03 0.00 0.00 55.69 54.64 1h3j s MET 242 Cb -0.14 -2.92 0.20 0.00 -1.53 0.00 0.00 34.83 30.45 1h3j s MET 242 CO -0.07 0.51 1.67 -0.09 -2.03 0.00 0.00 175.02 175.00 1h3j h ARG 243 N 3.34 0.07 -0.68 3.16 2.43 -0.99 -1.75 114.38 119.97 1h3j h ARG 243 Ca -0.48 -0.00 0.05 0.00 -0.81 0.00 0.00 59.98 58.74 1h3j h ARG 243 Cb 1.18 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.67 1h3j h ARG 243 CO 0.68 0.05 0.39 0.66 -1.51 0.00 0.00 179.97 180.24 1h3j h SER 244 N 0.07 0.60 -0.25 -3.80 4.64 -1.78 0.66 113.55 113.69 1h3j h SER 244 Ca 0.26 0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.58 1h3j h SER 244 Cb 0.41 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 1h3j h SER 244 CO -0.48 0.40 0.07 0.44 -0.87 0.00 0.00 176.83 176.38 1h3j h ASP 245 N 0.73 0.37 -0.68 4.97 3.45 -1.79 -0.44 116.42 123.03 1h3j h ASP 245 Ca 0.29 -0.22 0.00 0.00 0.43 0.00 0.00 57.03 57.54 1h3j h ASP 245 Cb 0.14 -0.10 -0.03 0.00 -0.56 0.00 0.00 39.33 38.78 1h3j h ASP 245 CO -0.16 0.49 0.43 0.00 -1.57 0.00 0.00 179.24 178.44 1h3j h ALA 246 N 0.89 1.46 -0.17 3.45 0.00 -1.00 -1.84 119.26 122.07 1h3j h ALA 246 Ca 0.08 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 1h3j h ALA 246 Cb 0.26 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1h3j h ALA 246 CO -0.00 0.48 -0.50 -0.07 0.00 0.00 0.00 179.25 179.16 1h3j h LEU 247 N 0.94 0.73 -1.34 0.00 3.38 -0.59 -3.14 115.31 115.29 1h3j h LEU 247 Ca 0.25 -0.59 -0.06 0.00 0.09 0.00 0.00 57.88 57.57 1h3j h LEU 247 Cb -0.07 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 1h3j h LEU 247 CO -0.05 1.19 -0.18 -0.07 0.09 0.00 0.00 178.44 179.42 1h3j h LEU 248 N 0.30 0.21 -1.24 1.67 3.38 -0.84 0.56 115.31 119.36 1h3j h LEU 248 Ca -0.02 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 1h3j h LEU 248 Cb 1.12 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1h3j h LEU 248 CO 0.11 0.41 -0.20 0.00 0.09 0.00 0.00 178.44 178.85 1h3j h ALA 249 N 1.61 1.37 0.00 1.53 0.00 -1.34 -3.28 119.26 119.15 1h3j h ALA 249 Ca 0.04 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1h3j h ALA 249 Cb 0.44 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1h3j h ALA 249 CO 0.03 0.43 -1.29 0.54 0.00 0.00 0.00 179.25 178.96 1h3j n ARG 250 N -4.20 0.98 -2.09 0.00 1.74 -0.97 -4.35 116.66 107.78 1h3j n ARG 250 Ca -0.01 -0.08 -0.39 0.00 -0.77 0.00 0.00 57.85 56.61 1h3j n ARG 250 Cb 0.33 -1.35 -0.00 0.00 -1.02 0.00 0.00 32.46 30.41 1h3j n ARG 250 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1h3j s ASP 251 N -3.29 6.26 0.58 0.55 -1.08 0.15 -4.77 116.67 115.08 1h3j s ASP 251 Ca 0.00 2.58 0.36 0.00 -0.52 0.00 0.00 52.55 54.97 1h3j s ASP 251 Cb 0.12 -2.63 1.74 0.00 -1.46 0.00 0.00 42.92 40.69 1h3j s ASP 251 CO 0.71 -0.88 2.13 0.77 0.52 0.00 0.00 175.17 178.43 1h3j h SER 252 N 2.54 0.00 1.63 -0.34 4.64 -1.90 0.42 113.55 120.53 1h3j h SER 252 Ca -0.49 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.81 1h3j h SER 252 Cb 1.25 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1h3j h SER 252 CO 0.62 0.03 -0.38 0.03 -0.87 0.00 0.00 176.83 176.26 1h3j h ARG 253 N 0.00 0.00 0.00 4.77 -0.00 -1.94 -3.39 114.38 113.82 1h3j h ARG 253 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1h3j h ARG 253 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.28 1h3j h ARG 253 CO 0.00 0.06 0.00 0.25 0.00 0.00 0.00 179.97 180.29 1h3j n THR 254 N -2.99 0.00 -0.27 2.04 -2.24 -0.91 -4.81 114.28 105.10 1h3j n THR 254 Ca 0.02 -0.34 -0.02 0.00 -2.27 0.00 0.00 64.05 61.44 1h3j n THR 254 Cb 0.57 1.06 0.16 0.00 -2.10 0.00 0.00 70.33 70.01 1h3j n THR 254 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1h3j h ALA 255 N 0.00 1.27 -0.39 6.98 0.00 -0.30 -1.94 119.26 124.87 1h3j h ALA 255 Ca 0.00 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 1h3j h ALA 255 Cb 0.03 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1h3j h ALA 255 CO 0.00 0.60 -0.29 0.00 0.00 0.00 0.00 179.25 179.55 1h3j h ARG 257 N 0.72 0.70 -0.59 0.00 9.65 -1.86 -1.15 114.38 121.85 1h3j h ARG 257 Ca 0.08 -0.28 0.01 0.00 -1.10 0.00 0.00 59.98 58.69 1h3j h ARG 257 Cb 0.85 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 29.36 1h3j h ARG 257 CO 0.07 0.87 0.39 2.35 2.80 0.00 0.00 179.97 186.45 1h3j h TRP 258 N 0.49 0.73 -0.67 2.20 2.91 -1.25 -2.12 115.95 118.25 1h3j h TRP 258 Ca 0.09 0.02 -0.02 0.00 1.13 0.00 0.00 58.89 60.10 1h3j h TRP 258 Cb 0.63 -0.25 -0.03 0.00 -0.51 0.00 0.00 29.16 29.00 1h3j h TRP 258 CO 0.05 0.46 0.33 0.37 -1.03 0.00 0.00 178.44 178.62 1h3j h GLN 259 N 0.79 0.95 0.00 2.65 4.15 -0.82 -1.89 115.11 120.94 1h3j h GLN 259 Ca 0.22 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.51 1h3j h GLN 259 Cb -0.08 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.44 1h3j h GLN 259 CO -0.05 0.75 0.00 -1.13 -1.93 0.00 0.00 178.83 176.46 1h3j n SER 260 N -4.48 0.33 -0.08 -0.69 3.41 -0.45 -2.14 113.62 109.52 1h3j n SER 260 Ca 0.05 0.61 0.13 0.00 -0.26 0.00 0.00 58.87 59.40 1h3j n SER 260 Cb 0.12 -0.67 0.37 0.00 -0.26 0.00 0.00 64.21 63.77 1h3j n SER 260 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1h3j n MET 261 N -1.90 0.30 0.02 4.33 2.81 -0.71 -4.33 117.12 117.65 1h3j n MET 261 Ca 0.01 -0.15 -0.11 0.00 -1.81 0.00 0.00 57.70 55.63 1h3j n MET 261 Cb 0.13 -1.50 0.01 0.00 -0.71 0.00 0.00 33.22 31.15 1h3j n MET 261 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1h3j h THR 262 N 0.38 1.34 0.00 2.03 1.35 -1.49 -3.39 112.91 113.13 1h3j h THR 262 Ca 0.00 -2.01 -0.09 0.00 -0.55 0.00 0.00 66.41 63.76 1h3j h THR 262 Cb 0.48 1.99 -0.01 0.00 -1.73 0.00 0.00 68.15 68.88 1h3j h THR 262 CO 0.00 0.62 -1.03 0.77 -0.25 0.00 0.00 175.52 175.63 1h3j h SER 263 N 0.37 0.00 -3.28 5.36 4.64 -1.78 -3.45 113.55 115.41 1h3j h SER 263 Ca -0.02 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.79 1h3j h SER 263 Cb 1.27 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 62.97 1h3j h SER 263 CO 0.13 0.32 -0.77 -0.55 -0.87 0.00 0.00 176.83 175.09 1h3j s SER 264 N -5.77 2.69 0.29 4.97 0.15 -1.26 -4.79 113.70 109.98 1h3j s SER 264 Ca -0.00 -0.69 -0.02 0.00 0.70 0.00 0.00 55.95 55.94 1h3j s SER 264 Cb 0.08 -0.60 0.43 0.00 -1.71 0.00 0.00 66.02 64.23 1h3j s SER 264 CO 0.78 -0.28 1.94 0.78 1.20 0.00 0.00 173.24 177.66 1h3j h ASN 265 N 8.25 0.99 -0.03 5.45 2.35 -1.89 -2.15 115.58 128.55 1h3j h ASN 265 Ca -0.17 -0.01 0.02 0.00 -0.55 0.00 0.00 56.30 55.58 1h3j h ASN 265 Cb 1.12 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 39.24 1h3j h ASN 265 CO 0.33 0.68 -0.09 -0.08 -1.65 0.00 0.00 177.43 176.62 1h3j h GLU 266 N 1.15 -0.13 -0.38 0.81 4.81 -1.95 -0.72 114.58 118.16 1h3j h GLU 266 Ca 0.35 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.54 1h3j h GLU 266 Cb -0.01 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 1h3j h GLU 266 CO -0.10 -0.09 0.01 0.28 -0.73 0.00 0.00 179.01 178.38 1h3j h VAL 267 N -0.14 1.21 0.37 0.32 2.07 -1.93 -1.99 116.25 116.16 1h3j h VAL 267 Ca 0.05 -0.83 -0.02 0.00 0.82 0.00 0.00 66.70 66.71 1h3j h VAL 267 Cb 0.20 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1h3j h VAL 267 CO -0.11 0.29 -0.18 -0.03 0.02 0.00 0.00 177.57 177.56 1h3j h MET 268 N 0.57 -0.48 -0.71 1.57 1.85 -0.87 -2.70 114.93 114.16 1h3j h MET 268 Ca 0.12 0.03 0.10 0.00 -0.61 0.00 0.00 59.70 59.35 1h3j h MET 268 Cb 0.35 0.11 -0.08 0.00 0.43 0.00 0.00 31.60 32.42 1h3j h MET 268 CO 0.01 -0.26 0.34 0.78 -0.40 0.00 0.00 176.91 177.39 1h3j h GLY 269 N -0.62 1.07 0.79 1.39 0.00 -0.96 -0.54 103.07 104.21 1h3j h GLY 269 Ca -0.05 -0.20 0.02 0.00 0.00 0.00 0.00 47.33 47.10 1h3j h GLY 269 CO 0.08 0.03 0.01 1.46 0.00 0.00 0.00 176.54 178.12 1h3j h GLN 270 N 0.57 0.06 -0.61 4.80 4.20 -1.29 -1.17 115.11 121.66 1h3j h GLN 270 Ca 0.36 -0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.99 1h3j h GLN 270 Cb 0.41 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 1h3j h GLN 270 CO -0.29 0.04 0.10 0.00 -0.67 0.00 0.00 178.83 178.01 1h3j h ARG 271 N 0.06 1.02 -0.33 1.46 3.08 -1.10 -2.55 114.38 116.02 1h3j h ARG 271 Ca 0.07 -0.27 -0.04 0.00 0.07 0.00 0.00 59.98 59.81 1h3j h ARG 271 Cb 0.08 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1h3j h ARG 271 CO -0.11 0.95 0.05 -0.92 -1.07 0.00 0.00 179.97 178.87 1h3j h TYR 272 N 0.92 0.59 -0.64 3.04 5.03 -0.99 -1.45 116.97 123.47 1h3j h TYR 272 Ca 0.19 -0.08 0.03 0.00 2.58 0.00 0.00 58.73 61.45 1h3j h TYR 272 Cb 0.43 -0.16 -0.04 0.00 1.55 0.00 0.00 36.73 38.50 1h3j h TYR 272 CO 0.03 0.63 0.38 -0.09 -1.32 0.00 0.00 178.16 177.80 1h3j h ARG 273 N 0.38 0.72 -0.44 1.82 2.43 -1.19 -0.07 114.38 118.02 1h3j h ARG 273 Ca 0.10 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1h3j h ARG 273 Cb 0.36 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 1h3j h ARG 273 CO 0.01 0.48 0.20 0.00 -1.51 0.00 0.00 179.97 179.15 1h3j h ALA 274 N 1.29 0.57 -0.42 2.80 0.00 -1.30 -1.29 119.26 120.90 1h3j h ALA 274 Ca 0.26 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 1h3j h ALA 274 Cb 0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1h3j h ALA 274 CO -0.12 0.14 -0.26 0.00 0.00 0.00 0.00 179.25 179.01 1h3j h ALA 275 N 1.04 0.75 -0.57 0.00 0.00 -0.92 -2.77 119.26 116.79 1h3j h ALA 275 Ca 0.15 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1h3j h ALA 275 Cb 0.14 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1h3j h ALA 275 CO -0.02 0.66 0.25 0.52 0.00 0.00 0.00 179.25 180.66 1h3j h MET 276 N 0.75 0.85 -1.01 0.00 2.07 -0.94 -0.62 114.93 116.03 1h3j h MET 276 Ca 0.09 -0.14 0.12 0.00 -2.07 0.00 0.00 59.70 57.69 1h3j h MET 276 Cb 0.82 -0.14 -0.08 0.00 -1.87 0.00 0.00 31.60 30.32 1h3j h MET 276 CO 0.07 0.72 0.64 0.00 1.07 0.00 0.00 176.91 179.40 1h3j h ALA 277 N 1.09 1.51 -0.26 6.32 0.00 -1.08 0.29 119.26 127.12 1h3j h ALA 277 Ca 0.19 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.96 1h3j h ALA 277 Cb 0.17 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1h3j h ALA 277 CO -0.02 0.25 -0.47 -0.22 0.00 0.00 0.00 179.25 178.79 1h3j h LYS 278 N 1.02 0.69 0.00 0.00 3.64 -1.21 -3.05 116.57 117.66 1h3j h LYS 278 Ca 0.49 -0.39 -0.09 0.00 -1.27 0.00 0.00 60.65 59.39 1h3j h LYS 278 Cb 0.46 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1h3j h LYS 278 CO -0.26 1.01 -0.43 1.98 -2.27 0.00 0.00 179.45 179.49 1h3j h MET 279 N 0.55 0.00 0.00 1.90 4.05 0.09 -3.22 114.93 118.30 1h3j h MET 279 Ca 0.03 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.45 1h3j h MET 279 Cb 1.02 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.82 1h3j h MET 279 CO 0.10 0.43 0.00 0.66 0.23 0.00 0.00 176.91 178.33 1h3j h SER 280 N 0.00 0.00 -0.04 1.39 4.64 -0.37 -3.00 113.55 116.17 1h3j h SER 280 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1h3j h SER 280 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1h3j h SER 280 CO 0.06 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.35 1h3j n VAL 281 N -2.67 1.82 -1.89 0.95 0.24 -1.21 -4.81 118.33 110.76 1h3j n VAL 281 Ca 0.01 -2.06 -0.42 0.00 -2.04 0.00 0.00 64.34 59.83 1h3j n VAL 281 Cb 0.25 -0.15 -0.03 0.00 -1.47 0.00 0.00 33.84 32.45 1h3j n VAL 281 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1h3j s LEU 282 N -2.63 4.37 0.00 1.34 1.43 -1.14 -1.32 118.68 120.74 1h3j s LEU 282 Ca 0.29 2.55 0.00 0.00 -1.03 0.00 0.00 54.13 55.95 1h3j s LEU 282 Cb 0.25 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.90 1h3j s LEU 282 CO 0.04 -0.90 0.00 0.61 0.23 0.00 0.00 176.35 176.33 1h3j n GLY 283 N 4.00 0.44 3.31 -3.19 0.00 -1.26 -1.52 105.19 106.97 1h3j n GLY 283 Ca 0.16 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.02 1h3j n GLY 283 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1h3j s PHE 284 N -2.17 1.49 -0.27 1.61 0.08 -0.43 -4.94 117.98 113.34 1h3j s PHE 284 Ca 0.00 -1.05 -0.09 0.00 0.12 0.00 0.00 56.93 55.90 1h3j s PHE 284 Cb 0.00 -0.88 -0.03 0.00 -0.57 0.00 0.00 43.02 41.54 1h3j s PHE 284 CO 0.00 -0.20 0.13 0.34 -0.10 0.00 0.00 175.22 175.39 1h3j s ASP 285 N -3.29 5.55 0.39 1.36 -1.08 -1.26 -4.93 116.67 113.41 1h3j s ASP 285 Ca 0.32 -0.19 0.09 0.00 -0.52 0.00 0.00 52.55 52.24 1h3j s ASP 285 Cb 0.07 -2.01 0.80 0.00 -1.46 0.00 0.00 42.92 40.31 1h3j s ASP 285 CO 0.10 -0.07 1.95 0.08 0.52 0.00 0.00 175.17 177.74 1h3j h ARG 286 N 8.31 0.32 -0.21 4.34 0.11 -1.97 -1.17 114.38 124.11 1h3j h ARG 286 Ca -0.36 -0.06 0.00 0.00 0.10 0.00 0.00 59.98 59.66 1h3j h ARG 286 Cb 1.17 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 32.20 1h3j h ARG 286 CO 0.58 0.38 0.00 0.27 0.10 0.00 0.00 179.97 181.29 1h3j n ASN 287 N -4.33 0.21 -0.07 0.08 6.94 -1.26 -1.28 115.26 115.55 1h3j n ASN 287 Ca 0.00 -1.57 0.05 0.00 -0.02 0.00 0.00 54.58 53.04 1h3j n ASN 287 Cb 0.22 -0.11 -0.04 0.00 -2.36 0.00 0.00 39.78 37.49 1h3j n ASN 287 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1h3j n ALA 288 N -0.33 3.14 -2.49 -2.53 0.00 -0.44 -5.02 120.51 112.84 1h3j n ALA 288 Ca 0.00 -0.33 -0.19 0.00 0.00 0.00 0.00 53.44 52.92 1h3j n ALA 288 Cb 0.05 -0.36 -0.01 0.00 0.00 0.00 0.00 19.45 19.14 1h3j n ALA 288 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1h3j s LEU 289 N -2.20 3.93 -0.12 0.00 1.43 -0.40 -4.98 118.68 116.33 1h3j s LEU 289 Ca 0.05 -0.22 -0.04 0.00 -1.03 0.00 0.00 54.13 52.89 1h3j s LEU 289 Cb 0.08 -2.68 -0.03 0.00 0.03 0.00 0.00 46.19 43.58 1h3j s LEU 289 CO 0.36 -0.41 0.02 -0.89 0.23 0.00 0.00 176.35 175.66 1h3j s THR 290 N -2.19 4.45 -0.33 5.49 2.01 0.20 -4.89 115.64 120.39 1h3j s THR 290 Ca 0.44 -0.18 -0.25 0.00 0.31 0.00 0.00 61.69 62.01 1h3j s THR 290 Cb -0.09 -2.92 0.01 0.00 0.01 0.00 0.00 72.50 69.51 1h3j s THR 290 CO 0.30 0.55 0.90 -0.62 -0.69 0.00 0.00 174.62 175.06 1h3j s ASP 291 N -0.37 6.73 -0.19 3.53 -1.08 -1.26 0.31 116.67 124.33 1h3j s ASP 291 Ca 0.08 0.73 0.13 0.00 -0.52 0.00 0.00 52.55 52.96 1h3j s ASP 291 Cb -0.12 -2.46 0.43 0.00 -1.46 0.00 0.00 42.92 39.31 1h3j s ASP 291 CO 0.02 -0.75 1.21 0.00 0.52 0.00 0.00 175.17 176.17 1h3j h SER 293 N 1.21 0.00 0.09 0.00 0.02 -1.82 -1.13 113.55 111.92 1h3j h SER 293 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1h3j h SER 293 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1h3j h SER 293 CO 0.12 0.00 0.00 -2.24 -1.14 0.00 0.00 176.83 173.57 1h3j h ASP 294 N 0.00 0.00 1.41 3.07 2.03 -1.90 -0.94 116.42 120.09 1h3j h ASP 294 Ca 0.13 0.00 -0.11 0.00 -0.73 0.00 0.00 57.03 56.31 1h3j h ASP 294 Cb 0.59 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.07 1h3j h ASP 294 CO -0.00 0.00 -0.54 0.58 -1.03 0.00 0.00 179.24 178.25 1h3j h VAL 295 N 0.00 0.94 -2.71 4.15 2.07 -1.60 -3.46 116.25 115.64 1h3j h VAL 295 Ca 0.00 -2.28 -0.55 0.00 0.82 0.00 0.00 66.70 64.69 1h3j h VAL 295 Cb 0.05 2.43 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 1h3j h VAL 295 CO 0.00 0.53 1.02 -0.63 0.02 0.00 0.00 177.57 178.50 1h3j s ILE 296 N -2.98 3.71 0.89 4.57 -1.09 -0.36 -5.00 121.20 120.94 1h3j s ILE 296 Ca 0.03 0.91 -0.11 0.00 -2.23 0.00 0.00 60.65 59.25 1h3j s ILE 296 Cb 0.08 -3.59 0.12 0.00 -1.58 0.00 0.00 42.46 37.50 1h3j s ILE 296 CO 0.75 -0.07 1.09 -2.16 -1.23 0.00 0.00 174.94 173.33 1h3j s PRO 297 N 3.66 1.32 0.09 2.79 0.04 -1.26 -5.04 135.00 136.60 1h3j s PRO 297 Ca 0.69 1.02 -0.05 0.00 0.04 0.00 0.00 61.00 62.69 1h3j s PRO 297 Cb -0.31 -1.80 -0.05 0.00 0.04 0.00 0.00 34.50 32.38 1h3j s PRO 297 CO 0.26 -2.25 0.33 -1.12 0.04 0.00 0.00 177.00 174.26 1h3j s SER 298 N -3.24 6.50 0.33 6.66 0.01 -1.26 -4.78 113.70 117.93 1h3j s SER 298 Ca 0.64 0.58 -0.04 0.00 1.31 0.00 0.00 55.95 58.44 1h3j s SER 298 Cb -0.19 -2.09 -0.05 0.00 0.21 0.00 0.00 66.02 63.91 1h3j s SER 298 CO 0.57 0.13 0.59 0.00 0.41 0.00 0.00 173.24 174.95 1h3j s ALA 299 N -1.51 3.60 0.60 1.44 0.00 -1.25 -4.90 121.76 119.73 1h3j s ALA 299 Ca 0.36 -0.62 -0.18 0.00 0.00 0.00 0.00 51.96 51.52 1h3j s ALA 299 Cb -0.13 -2.31 -0.03 0.00 0.00 0.00 0.00 23.12 20.65 1h3j s ALA 299 CO 0.22 0.09 1.16 0.14 0.00 0.00 0.00 175.76 177.36 1h3j s VAL 300 N -2.24 2.91 0.46 0.00 -7.23 -1.26 -4.80 120.40 108.24 1h3j s VAL 300 Ca 0.44 0.53 -0.20 0.00 -1.81 0.00 0.00 61.98 60.94 1h3j s VAL 300 Cb -0.10 -3.16 -0.10 0.00 0.56 0.00 0.00 36.38 33.58 1h3j s VAL 300 CO 0.33 -0.16 0.97 -0.94 -0.31 0.00 0.00 175.10 175.00 1h3j s SER 301 N -1.88 6.77 -0.27 4.85 1.04 -1.26 -1.43 113.70 121.52 1h3j s SER 301 Ca 0.73 1.70 -0.10 0.00 0.48 0.00 0.00 55.95 58.77 1h3j s SER 301 Cb -0.26 -2.54 -0.04 0.00 0.10 0.00 0.00 66.02 63.28 1h3j s SER 301 CO 0.33 -0.48 0.15 0.21 0.98 0.00 0.00 173.24 174.43 1h3j s ASN 302 N -2.34 5.80 -0.00 7.02 3.04 -1.26 -4.55 114.94 122.64 1h3j s ASN 302 Ca 0.62 -0.04 0.21 0.00 0.04 0.00 0.00 52.86 53.69 1h3j s ASN 302 Cb -0.10 -2.06 -0.24 0.00 -1.54 0.00 0.00 41.25 37.30 1h3j s ASN 302 CO 0.18 -0.03 0.82 0.59 -3.04 0.00 0.00 177.10 175.62 1h3j n ASN 303 N 4.90 0.84 -4.74 -4.21 3.02 -1.26 -4.92 115.26 108.89 1h3j n ASN 303 Ca -0.15 -0.83 -0.37 0.00 -0.03 0.00 0.00 54.58 53.20 1h3j n ASN 303 Cb 0.52 1.16 0.05 0.00 -0.61 0.00 0.00 39.78 40.90 1h3j n ASN 303 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1h3j s ALA 304 N -3.06 2.51 0.21 5.41 0.00 -1.26 -5.01 121.76 120.56 1h3j s ALA 304 Ca 0.05 1.17 -0.07 0.00 0.00 0.00 0.00 51.96 53.11 1h3j s ALA 304 Cb 0.15 -3.52 -0.06 0.00 0.00 0.00 0.00 23.12 19.69 1h3j s ALA 304 CO 0.87 -1.41 0.48 0.00 0.00 0.00 0.00 175.76 175.69 1h3j s ALA 305 N -1.44 3.67 0.23 0.00 0.00 -1.26 -5.03 121.76 117.92 1h3j s ALA 305 Ca 0.79 -0.45 -0.31 0.00 0.00 0.00 0.00 51.96 51.99 1h3j s ALA 305 Cb -0.36 -2.28 -0.11 0.00 0.00 0.00 0.00 23.12 20.37 1h3j s ALA 305 CO 0.39 0.52 1.62 -2.14 0.00 0.00 0.00 175.76 176.15 1h3j s PRO 306 N -2.90 4.16 0.06 0.00 0.02 -1.26 -4.99 135.00 130.10 1h3j s PRO 306 Ca 0.44 2.50 0.02 0.00 0.02 0.00 0.00 61.00 63.99 1h3j s PRO 306 Cb -0.11 -3.08 -0.03 0.00 0.02 0.00 0.00 34.50 31.29 1h3j s PRO 306 CO 0.24 -0.65 -0.08 0.14 -0.33 0.00 0.00 177.00 176.33 1h3j s VAL 307 N 0.71 0.62 -0.43 3.83 -7.23 -1.26 -3.22 120.40 113.41 1h3j s VAL 307 Ca 0.69 -1.37 -0.19 0.00 -1.81 0.00 0.00 61.98 59.29 1h3j s VAL 307 Cb -0.47 -0.98 0.02 0.00 0.56 0.00 0.00 36.38 35.51 1h3j s VAL 307 CO 0.37 -0.53 0.55 -0.63 -0.31 0.00 0.00 175.10 174.56 1h3j s ILE 308 N -2.10 4.94 0.99 -0.62 1.01 -0.28 -4.95 121.20 120.19 1h3j s ILE 308 Ca -0.02 -0.11 -0.14 0.00 0.00 0.00 0.00 60.65 60.38 1h3j s ILE 308 Cb -0.05 -4.14 0.18 0.00 0.01 0.00 0.00 42.46 38.46 1h3j s ILE 308 CO -0.01 -0.53 1.13 -2.16 0.00 0.00 0.00 174.94 173.36 1h3j s PRO 309 N 2.52 0.48 -1.24 2.79 0.04 -1.26 -1.12 135.00 137.21 1h3j s PRO 309 Ca 0.18 0.26 -0.16 0.00 0.04 0.00 0.00 61.00 61.32 1h3j s PRO 309 Cb -0.16 -1.77 0.16 0.00 0.04 0.00 0.00 34.50 32.78 1h3j s PRO 309 CO 0.16 -2.64 0.39 0.41 0.04 0.00 0.00 177.00 175.37 1h3j n GLY 310 N -1.74 -0.34 1.07 0.56 0.00 -1.26 -1.78 105.19 101.71 1h3j n GLY 310 Ca 0.07 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1h3j n GLY 310 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h3j n GLY 311 N -0.85 1.02 3.81 -0.02 0.00 -0.97 -3.12 105.19 105.07 1h3j n GLY 311 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 1h3j n GLY 311 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h3j s LEU 312 N 0.00 3.14 0.00 0.99 1.43 -0.73 -4.88 118.68 118.63 1h3j s LEU 312 Ca 0.00 1.68 0.03 0.00 -1.03 0.00 0.00 54.13 54.81 1h3j s LEU 312 Cb 0.00 -4.50 -0.01 0.00 0.03 0.00 0.00 46.19 41.70 1h3j s LEU 312 CO 0.00 -1.56 0.12 0.35 0.23 0.00 0.00 176.35 175.50 1h3j n THR 313 N -3.14 0.00 0.30 5.49 -2.24 -1.26 -4.73 114.28 108.69 1h3j n THR 313 Ca 0.08 -1.93 0.20 0.00 -2.27 0.00 0.00 64.05 60.12 1h3j n THR 313 Cb 0.53 0.71 1.02 0.00 -2.10 0.00 0.00 70.33 70.49 1h3j n THR 313 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 1h3j h VAL 314 N 1.56 0.00 0.00 2.28 3.04 -1.97 0.13 116.25 121.30 1h3j h VAL 314 Ca -0.26 -0.06 -0.07 0.00 -1.01 0.00 0.00 66.70 65.31 1h3j h VAL 314 Cb 0.99 0.94 -0.01 0.00 -2.01 0.00 0.00 31.29 31.19 1h3j h VAL 314 CO 0.40 0.00 -0.34 0.44 -1.01 0.00 0.00 177.57 177.07 1h3j h ASP 315 N 0.00 0.00 -0.25 3.17 3.32 -2.01 -2.61 116.42 118.04 1h3j h ASP 315 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1h3j h ASP 315 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1h3j h ASP 315 CO 0.00 0.34 0.00 0.47 -1.72 0.00 0.00 179.24 178.33 1h3j n ASP 316 N -3.95 1.74 -4.71 6.45 9.92 0.46 -4.84 116.55 121.62 1h3j n ASP 316 Ca -0.02 -1.84 -0.35 0.00 -0.53 0.00 0.00 54.79 52.05 1h3j n ASP 316 Cb 0.40 -0.17 -0.08 0.00 -0.64 0.00 0.00 41.12 40.63 1h3j n ASP 316 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1h3j s ILE 317 N -1.67 5.34 -1.27 0.53 -1.09 -0.99 -0.96 121.20 121.09 1h3j s ILE 317 Ca 0.28 0.17 -0.13 0.00 -2.23 0.00 0.00 60.65 58.74 1h3j s ILE 317 Cb 0.15 -3.45 0.14 0.00 -1.58 0.00 0.00 42.46 37.72 1h3j s ILE 317 CO 0.21 0.42 1.71 -0.62 -1.23 0.00 0.00 174.94 175.43 1h3j n GLU 318 N 3.68 3.37 -1.69 2.79 1.02 0.35 -4.94 120.64 125.22 1h3j n GLU 318 Ca -0.16 -3.53 -0.53 0.00 -0.02 0.00 0.00 57.16 52.92 1h3j n GLU 318 Cb 0.52 -3.10 -0.06 0.00 -0.02 0.00 0.00 31.44 28.78 1h3j n GLU 318 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1h3j n VAL 319 N 4.52 0.43 0.13 2.62 0.31 -1.26 -4.85 118.33 120.22 1h3j n VAL 319 Ca 0.41 -0.09 0.02 0.00 -0.01 0.00 0.00 64.34 64.67 1h3j n VAL 319 Cb 0.41 -1.55 0.01 0.00 -0.91 0.00 0.00 33.84 31.80 1h3j n VAL 319 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1h3j n SER 320 N 6.23 1.11 -4.39 4.52 7.64 -1.26 -4.91 113.62 122.55 1h3j n SER 320 Ca 0.26 -1.05 -0.40 0.00 1.01 0.00 0.00 58.87 58.68 1h3j n SER 320 Cb 0.21 0.13 -0.11 0.00 -1.01 0.00 0.00 64.21 63.43 1h3j n SER 320 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1h3j h PRO 322 N 8.40 0.12 -0.09 0.00 0.13 -1.97 -3.31 132.00 135.26 1h3j h PRO 322 Ca -0.28 -0.11 0.03 0.00 -0.87 0.00 0.00 66.00 64.77 1h3j h PRO 322 Cb 1.12 0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 1h3j h PRO 322 CO 0.65 0.83 0.20 0.66 -0.23 0.00 0.00 178.00 180.11 1h3j h SER 323 N -0.56 0.00 -3.66 1.44 4.64 -2.03 -3.40 113.55 109.99 1h3j h SER 323 Ca -0.02 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 60.89 1h3j h SER 323 Cb 0.87 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 62.64 1h3j h SER 323 CO 0.03 0.00 -0.78 -1.61 -0.87 0.00 0.00 176.83 173.60 1h3j s GLU 324 N -4.34 0.93 0.46 4.77 2.02 -1.25 -5.13 118.70 116.16 1h3j s GLU 324 Ca -0.04 -0.23 -0.23 0.00 0.02 0.00 0.00 54.97 54.49 1h3j s GLU 324 Cb 0.13 -0.87 -0.07 0.00 0.10 0.00 0.00 34.13 33.41 1h3j s GLU 324 CO 0.42 0.03 1.16 -1.25 0.02 0.00 0.00 175.26 175.64 1h3j s PRO 325 N 0.47 3.78 0.09 0.39 0.04 -1.26 -4.71 135.00 133.80 1h3j s PRO 325 Ca -0.07 1.75 -0.31 0.00 0.04 0.00 0.00 61.00 62.41 1h3j s PRO 325 Cb -0.11 -2.41 -0.08 0.00 0.04 0.00 0.00 34.50 31.94 1h3j s PRO 325 CO 0.01 -0.52 1.53 0.12 0.04 0.00 0.00 177.00 178.18 1h3j s PHE 326 N -1.56 2.83 0.89 0.56 5.36 -1.26 -4.96 117.98 119.84 1h3j s PHE 326 Ca 0.63 0.61 -0.12 0.00 -0.96 0.00 0.00 56.93 57.09 1h3j s PHE 326 Cb -0.28 -3.85 0.07 0.00 -0.34 0.00 0.00 43.02 38.62 1h3j s PHE 326 CO 0.34 -3.21 0.78 -0.35 -1.46 0.00 0.00 175.22 171.32 1h3j n PRO 327 N 4.79 -0.19 -2.65 10.12 -0.04 -1.26 -4.94 135.00 140.83 1h3j n PRO 327 Ca 0.14 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.17 1h3j n PRO 327 Cb 0.41 -2.11 -0.02 0.00 -0.04 0.00 0.00 33.50 31.74 1h3j n PRO 327 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1h3j s GLU 328 N -3.90 4.24 0.24 0.54 8.01 -1.26 -5.02 118.70 121.54 1h3j s GLU 328 Ca 0.64 1.34 0.10 0.00 0.01 0.00 0.00 54.97 57.06 1h3j s GLU 328 Cb -0.25 -3.65 -0.05 0.00 -4.31 0.00 0.00 34.13 25.87 1h3j s GLU 328 CO 0.61 -0.66 -0.18 0.42 0.01 0.00 0.00 175.26 175.45 1h3j s ILE 329 N 3.26 2.16 0.39 -1.63 -1.09 -1.26 -5.01 121.20 118.01 1h3j s ILE 329 Ca 0.44 -2.26 -0.25 0.00 -2.23 0.00 0.00 60.65 56.36 1h3j s ILE 329 Cb -0.15 -2.15 -0.09 0.00 -1.58 0.00 0.00 42.46 38.49 1h3j s ILE 329 CO 0.07 -0.43 1.08 0.00 -1.23 0.00 0.00 174.94 174.44 1h3j s ALA 330 N -2.53 3.13 -0.13 9.38 0.00 -1.20 -4.90 121.76 125.51 1h3j s ALA 330 Ca 0.25 0.78 -0.01 0.00 0.00 0.00 0.00 51.96 52.98 1h3j s ALA 330 Cb -0.04 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 1h3j s ALA 330 CO 0.11 -0.29 -0.09 0.99 0.00 0.00 0.00 175.76 176.48 1h3j s THR 331 N -1.55 3.44 0.33 0.00 2.01 -1.26 -1.12 115.64 117.48 1h3j s THR 331 Ca 0.56 -0.53 0.03 0.00 0.31 0.00 0.00 61.69 62.06 1h3j s THR 331 Cb -0.25 -2.46 -0.02 0.00 0.01 0.00 0.00 72.50 69.78 1h3j s THR 331 CO 0.31 0.53 0.50 0.00 -0.69 0.00 0.00 174.62 175.27 1h3j s ALA 332 N 0.16 3.87 0.36 7.40 0.00 -0.28 -4.93 121.76 128.35 1h3j s ALA 332 Ca -0.05 -1.13 -0.06 0.00 0.00 0.00 0.00 51.96 50.73 1h3j s ALA 332 Cb -0.14 -1.93 -0.05 0.00 0.00 0.00 0.00 23.12 21.00 1h3j s ALA 332 CO 0.04 -0.01 0.66 -1.54 0.00 0.00 0.00 175.76 174.91 1h3j s SER 333 N -4.08 6.42 1.31 0.00 1.04 -1.26 -2.28 113.70 114.85 1h3j s SER 333 Ca 0.41 0.84 -0.19 0.00 0.48 0.00 0.00 55.95 57.49 1h3j s SER 333 Cb -0.09 -2.20 0.29 0.00 0.10 0.00 0.00 66.02 64.11 1h3j s SER 333 CO 0.33 -0.34 0.84 0.61 0.98 0.00 0.00 173.24 175.67 1h3j n GLY 334 N -1.38 -3.30 0.74 7.32 0.00 -1.26 -3.70 105.19 103.61 1h3j n GLY 334 Ca -0.00 -1.39 -0.05 0.00 0.00 0.00 0.00 46.02 44.57 1h3j n GLY 334 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1h3j n PRO 335 N -4.78 0.06 -1.89 1.61 -0.04 -1.26 -4.85 135.00 123.85 1h3j n PRO 335 Ca 0.12 -0.45 -0.42 0.00 -0.04 0.00 0.00 63.50 62.72 1h3j n PRO 335 Cb 0.51 -0.21 -0.03 0.00 -0.04 0.00 0.00 33.50 33.73 1h3j n PRO 335 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1h3j s LEU 336 N 0.00 4.37 0.80 1.53 2.96 -1.18 -4.25 118.68 122.91 1h3j s LEU 336 Ca 0.14 2.71 -0.11 0.00 -0.22 0.00 0.00 54.13 56.65 1h3j s LEU 336 Cb -0.01 -3.61 0.07 0.00 0.50 0.00 0.00 46.19 43.15 1h3j s LEU 336 CO 0.09 -0.84 1.09 -2.16 -1.32 0.00 0.00 176.35 173.21 1h3j s PRO 337 N 0.68 2.08 -0.24 0.98 0.04 -1.26 -4.99 135.00 132.28 1h3j s PRO 337 Ca 0.68 0.81 -0.00 0.00 0.04 0.00 0.00 61.00 62.53 1h3j s PRO 337 Cb -0.45 -1.90 0.07 0.00 0.04 0.00 0.00 34.50 32.26 1h3j s PRO 337 CO 0.36 -1.67 -0.00 0.45 0.04 0.00 0.00 177.00 176.18 1h3j s SER 338 N -3.70 3.69 0.29 6.66 0.15 -1.26 -3.82 113.70 115.71 1h3j s SER 338 Ca 0.61 -1.22 -0.29 0.00 0.70 0.00 0.00 55.95 55.75 1h3j s SER 338 Cb -0.15 -1.01 -0.10 0.00 -1.71 0.00 0.00 66.02 63.05 1h3j s SER 338 CO 0.55 -0.29 1.14 -0.76 1.20 0.00 0.00 173.24 175.08 1h3j s LEU 339 N 1.52 4.53 0.42 3.45 1.43 -0.27 -4.92 118.68 124.84 1h3j s LEU 339 Ca -0.01 2.35 -0.03 0.00 -1.03 0.00 0.00 54.13 55.40 1h3j s LEU 339 Cb -0.18 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.37 1h3j s LEU 339 CO -0.10 -0.22 0.69 0.00 0.23 0.00 0.00 176.35 176.95 1h3j s ALA 340 N -1.14 3.52 0.53 4.21 0.00 -1.26 -4.25 121.76 123.36 1h3j s ALA 340 Ca 0.45 -0.64 -0.22 0.00 0.00 0.00 0.00 51.96 51.55 1h3j s ALA 340 Cb -0.33 -2.41 -0.05 0.00 0.00 0.00 0.00 23.12 20.33 1h3j s ALA 340 CO 0.43 -0.19 1.37 -2.14 0.00 0.00 0.00 175.76 175.23 1h3j s PRO 341 N -4.50 3.22 0.47 0.00 0.02 -1.26 -4.60 135.00 128.35 1h3j s PRO 341 Ca 0.45 2.26 -0.23 0.00 0.02 0.00 0.00 61.00 63.49 1h3j s PRO 341 Cb -0.10 -2.32 -0.07 0.00 0.02 0.00 0.00 34.50 32.03 1h3j s PRO 341 CO 0.41 -1.13 1.21 0.00 -0.33 0.00 0.00 177.00 177.16 1h3j s ALA 342 N -1.29 2.97 -2.00 -1.55 0.00 0.20 -4.98 121.76 115.10 1h3j s ALA 342 Ca 0.70 1.04 0.13 0.00 0.00 0.00 0.00 51.96 53.83 1h3j s ALA 342 Cb -0.41 -3.43 0.80 0.00 0.00 0.00 0.00 23.12 20.09 1h3j s ALA 342 CO 0.49 -0.81 1.23 -0.35 0.00 0.00 0.00 175.76 176.31