#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wtj s GLN 11 N 0.00 3.23 -0.14 -0.78 2.00 0.11 -4.80 119.66 119.29 1wtj s GLN 11 Ca 0.00 0.19 0.01 0.00 -2.00 0.00 0.00 55.36 53.56 1wtj s GLN 11 Cb 0.00 -2.28 -0.00 0.00 0.80 0.00 0.00 33.01 31.53 1wtj s GLN 11 CO 0.00 -0.51 -0.18 0.99 -0.50 0.00 0.00 175.29 175.09 1wtj s THR 12 N -2.94 2.52 0.07 -0.34 2.01 -1.26 -0.89 115.64 114.81 1wtj s THR 12 Ca 0.52 -0.83 0.09 0.00 0.31 0.00 0.00 61.69 61.78 1wtj s THR 12 Cb -0.11 -2.04 -0.03 0.00 0.01 0.00 0.00 72.50 70.34 1wtj s THR 12 CO 0.46 0.53 -0.25 0.68 -0.69 0.00 0.00 174.62 175.36 1wtj s VAL 13 N 0.65 2.03 0.64 3.82 -7.23 -0.30 -4.89 120.40 115.11 1wtj s VAL 13 Ca -0.09 -1.44 -0.12 0.00 -1.81 0.00 0.00 61.98 58.52 1wtj s VAL 13 Cb -0.16 -1.76 -0.02 0.00 0.56 0.00 0.00 36.38 34.99 1wtj s VAL 13 CO 0.02 0.24 1.04 -0.94 -0.31 0.00 0.00 175.10 175.15 1wtj s SER 14 N -1.46 5.87 0.13 4.85 1.04 -1.26 0.28 113.70 123.15 1wtj s SER 14 Ca 0.11 1.55 -0.20 0.00 0.48 0.00 0.00 55.95 57.89 1wtj s SER 14 Cb -0.10 -2.49 -0.01 0.00 0.10 0.00 0.00 66.02 63.52 1wtj s SER 14 CO 0.03 -1.11 1.69 0.22 0.98 0.00 0.00 173.24 175.05 1wtj h TYR 15 N -0.30 -0.17 -0.14 5.02 3.20 -1.96 -0.25 116.97 122.36 1wtj h TYR 15 Ca -0.44 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.40 1wtj h TYR 15 Cb 1.20 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.57 1wtj h TYR 15 CO 0.63 -0.12 -0.14 -1.00 -1.64 0.00 0.00 178.16 175.90 1wtj h PRO 16 N -0.04 0.23 -0.30 1.82 0.13 -2.00 -1.70 132.00 130.14 1wtj h PRO 16 Ca 0.11 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 65.15 1wtj h PRO 16 Cb 0.20 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.29 1wtj h PRO 16 CO -0.24 0.37 0.05 1.96 -0.23 0.00 0.00 178.00 179.92 1wtj h GLN 17 N 0.22 0.50 -0.80 0.86 4.20 -1.71 -1.96 115.11 116.40 1wtj h GLN 17 Ca 0.04 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 1wtj h GLN 17 Cb 0.38 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.06 1wtj h GLN 17 CO 0.02 0.59 0.49 1.25 -0.67 0.00 0.00 178.83 180.51 1wtj h LEU 18 N 0.32 0.96 0.05 1.46 5.85 -0.67 -1.14 115.31 122.14 1wtj h LEU 18 Ca 0.09 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.76 1wtj h LEU 18 Cb 0.34 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 1wtj h LEU 18 CO 0.01 0.74 -0.08 0.40 -0.34 0.00 0.00 178.44 179.17 1wtj h ILE 19 N 1.10 0.81 -0.76 4.05 2.04 -1.13 -0.23 117.51 123.38 1wtj h ILE 19 Ca 0.29 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.16 1wtj h ILE 19 Cb -0.05 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 1wtj h ILE 19 CO -0.05 0.00 0.51 0.44 0.00 0.00 0.00 178.15 179.04 1wtj h ASP 20 N -0.16 0.87 -0.03 1.72 3.32 -1.06 0.30 116.42 121.37 1wtj h ASP 20 Ca 0.01 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 1wtj h ASP 20 Cb 0.17 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 1wtj h ASP 20 CO -0.04 0.63 0.00 0.25 -1.72 0.00 0.00 179.24 178.35 1wtj h LEU 21 N 1.03 0.05 -0.96 1.55 5.85 -0.80 -2.22 115.31 119.81 1wtj h LEU 21 Ca 0.28 -0.29 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 1wtj h LEU 21 Cb -0.10 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 1wtj h LEU 21 CO -0.06 0.32 -0.11 -0.07 -0.34 0.00 0.00 178.44 178.18 1wtj h LEU 22 N -0.23 0.62 -0.92 2.25 3.38 -0.77 -2.39 115.31 117.25 1wtj h LEU 22 Ca 0.01 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 1wtj h LEU 22 Cb 0.30 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 1wtj h LEU 22 CO 0.00 0.76 0.48 -0.09 0.09 0.00 0.00 178.44 179.68 1wtj h ARG 23 N 0.58 1.24 -0.49 1.13 2.43 -0.87 -1.54 114.38 116.86 1wtj h ARG 23 Ca 0.10 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1wtj h ARG 23 Cb 0.54 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 1wtj h ARG 23 CO 0.03 0.91 0.26 -0.09 -1.51 0.00 0.00 179.97 179.58 1wtj h ARG 24 N 1.25 0.69 -0.15 0.20 2.43 -1.00 -1.42 114.38 116.37 1wtj h ARG 24 Ca 0.31 -0.08 0.02 0.00 -0.81 0.00 0.00 59.98 59.42 1wtj h ARG 24 Cb 0.04 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 1wtj h ARG 24 CO -0.05 0.55 0.01 0.82 -1.51 0.00 0.00 179.97 179.79 1wtj h ILE 25 N 0.65 0.92 -0.84 1.20 2.04 -0.92 0.21 117.51 120.78 1wtj h ILE 25 Ca 0.17 -0.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.99 1wtj h ILE 25 Cb 0.06 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 1wtj h ILE 25 CO -0.03 0.01 0.46 -0.26 0.00 0.00 0.00 178.15 178.33 1wtj h PHE 26 N 0.07 1.15 -0.38 1.37 0.04 -1.11 -1.33 116.94 116.76 1wtj h PHE 26 Ca 0.07 -0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.78 1wtj h PHE 26 Cb 0.07 -0.37 -0.02 0.00 2.20 0.00 0.00 35.95 37.84 1wtj h PHE 26 CO -0.14 0.80 0.11 0.28 -0.60 0.00 0.00 178.31 178.77 1wtj h VAL 27 N 1.17 1.22 -0.30 -0.55 2.07 -0.90 -1.45 116.25 117.50 1wtj h VAL 27 Ca 0.29 -0.71 0.02 0.00 0.82 0.00 0.00 66.70 67.12 1wtj h VAL 27 Cb 0.03 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1wtj h VAL 27 CO -0.05 0.25 0.20 0.58 0.02 0.00 0.00 177.57 178.57 1wtj h VAL 28 N 0.47 1.04 -0.55 2.57 2.07 -0.59 -2.36 116.25 118.90 1wtj h VAL 28 Ca 0.12 -0.12 -0.13 0.00 0.82 0.00 0.00 66.70 67.40 1wtj h VAL 28 Cb 0.26 0.67 -0.08 0.00 -1.52 0.00 0.00 31.29 30.63 1wtj h VAL 28 CO -0.00 0.06 0.16 1.41 0.02 0.00 0.00 177.57 179.22 1wtj n HIS 29 N -4.49 1.85 -0.41 1.57 -0.00 -0.53 -4.93 115.22 108.27 1wtj n HIS 29 Ca 0.02 -0.87 0.00 0.00 -0.00 0.00 0.00 57.72 56.87 1wtj n HIS 29 Cb 0.11 -0.54 0.00 0.00 -0.00 0.00 0.00 29.99 29.57 1wtj n HIS 29 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1wtj n GLY 30 N 0.08 0.73 3.88 -1.41 0.00 -0.89 -4.86 105.19 102.73 1wtj n GLY 30 Ca 0.29 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.01 1wtj n GLY 30 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wtj s THR 31 N -2.56 4.26 0.76 2.61 -4.23 -0.59 -4.40 115.64 111.49 1wtj s THR 31 Ca 0.00 0.62 -0.11 0.00 -1.18 0.00 0.00 61.69 61.02 1wtj s THR 31 Cb 0.00 -3.71 0.05 0.00 1.34 0.00 0.00 72.50 70.17 1wtj s THR 31 CO 0.00 -0.91 1.09 -0.94 -0.54 0.00 0.00 174.62 173.32 1wtj s SER 32 N -4.24 4.84 0.30 3.99 1.04 -0.27 -4.56 113.70 114.79 1wtj s SER 32 Ca 0.55 1.36 -0.02 0.00 0.48 0.00 0.00 55.95 58.32 1wtj s SER 32 Cb -0.11 -2.14 0.44 0.00 0.10 0.00 0.00 66.02 64.31 1wtj s SER 32 CO 0.52 -1.75 1.94 -0.65 0.98 0.00 0.00 173.24 174.27 1wtj h PRO 33 N -0.94 1.03 -0.06 4.02 0.11 -1.96 -1.10 132.00 133.11 1wtj h PRO 33 Ca -0.46 -0.09 -0.00 0.00 0.11 0.00 0.00 66.00 65.56 1wtj h PRO 33 Cb 1.25 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 1wtj h PRO 33 CO 0.59 0.72 0.03 0.93 -0.21 0.00 0.00 178.00 180.07 1wtj h GLU 34 N 1.05 0.08 -0.74 1.05 3.07 -1.95 -1.52 114.58 115.62 1wtj h GLU 34 Ca 0.27 -0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 59.07 1wtj h GLU 34 Cb -0.04 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 27.82 1wtj h GLU 34 CO -0.05 0.13 0.27 0.28 -1.40 0.00 0.00 179.01 178.24 1wtj h VAL 35 N 0.02 1.26 -0.68 3.13 2.07 -1.78 -2.56 116.25 117.70 1wtj h VAL 35 Ca 0.02 -0.84 0.02 0.00 0.82 0.00 0.00 66.70 66.72 1wtj h VAL 35 Cb 0.07 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.21 1wtj h VAL 35 CO -0.00 0.34 0.43 0.00 0.02 0.00 0.00 177.57 178.36 1wtj h ALA 36 N 1.14 0.89 -0.19 1.67 0.00 -0.98 -0.36 119.26 121.43 1wtj h ALA 36 Ca 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1wtj h ALA 36 Cb 0.25 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1wtj h ALA 36 CO -0.01 0.22 0.12 -0.44 0.00 0.00 0.00 179.25 179.13 1wtj h ASP 37 N 0.85 0.22 0.06 0.00 3.32 -0.99 0.07 116.42 119.95 1wtj h ASP 37 Ca 0.27 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.30 1wtj h ASP 37 Cb -0.01 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.49 1wtj h ASP 37 CO -0.10 0.17 -0.03 0.58 -1.72 0.00 0.00 179.24 178.15 1wtj h VAL 38 N 0.24 1.03 -0.45 -1.35 2.07 -1.12 -2.32 116.25 114.35 1wtj h VAL 38 Ca 0.07 -0.29 -0.13 0.00 0.82 0.00 0.00 66.70 67.17 1wtj h VAL 38 Cb -0.01 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1wtj h VAL 38 CO -0.01 0.07 -0.22 -0.07 0.02 0.00 0.00 177.57 177.36 1wtj h LEU 39 N -0.21 0.94 -0.32 2.57 3.38 -1.05 -1.91 115.31 118.72 1wtj h LEU 39 Ca -0.01 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1wtj h LEU 39 Cb 0.18 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1wtj h LEU 39 CO 0.01 1.12 0.20 0.00 0.09 0.00 0.00 178.44 179.87 1wtj h ALA 40 N 0.94 0.40 -0.54 1.53 0.00 -0.97 0.38 119.26 121.01 1wtj h ALA 40 Ca 0.10 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1wtj h ALA 40 Cb 0.78 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1wtj h ALA 40 CO 0.06 -0.12 0.20 1.49 0.00 0.00 0.00 179.25 180.89 1wtj h GLU 41 N 0.42 0.81 0.19 0.00 4.81 -1.36 -0.10 114.58 119.35 1wtj h GLU 41 Ca 0.12 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1wtj h GLU 41 Cb -0.03 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.23 1wtj h GLU 41 CO -0.02 0.71 -0.09 -0.97 -0.73 0.00 0.00 179.01 177.91 1wtj h ASN 42 N 0.73 -0.21 -0.35 1.04 -0.73 -1.00 0.13 115.58 115.18 1wtj h ASN 42 Ca 0.18 -0.04 -0.01 0.00 1.87 0.00 0.00 56.30 58.30 1wtj h ASN 42 Cb 0.22 0.06 -0.02 0.00 0.27 0.00 0.00 38.32 38.84 1wtj h ASN 42 CO -0.01 -0.10 0.18 0.00 -0.37 0.00 0.00 177.43 177.13 1wtj h ALA 44 N 1.04 1.11 -0.73 0.00 0.00 -0.93 -1.83 119.26 117.91 1wtj h ALA 44 Ca 0.12 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1wtj h ALA 44 Cb 0.09 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1wtj h ALA 44 CO -0.02 0.65 0.31 0.77 0.00 0.00 0.00 179.25 180.96 1wtj h SER 45 N 1.12 0.97 -0.43 0.00 0.02 -0.39 0.10 113.55 114.94 1wtj h SER 45 Ca 0.26 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 61.06 1wtj h SER 45 Cb 0.19 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 1wtj h SER 45 CO -0.02 0.85 0.17 0.00 -1.14 0.00 0.00 176.83 176.68 1wtj h ALA 46 N 1.29 0.57 -0.38 3.77 0.00 -0.73 -1.29 119.26 122.49 1wtj h ALA 46 Ca 0.25 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1wtj h ALA 46 Cb 0.17 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1wtj h ALA 46 CO -0.03 0.17 0.15 0.37 0.00 0.00 0.00 179.25 179.92 1wtj h GLN 47 N 0.56 0.57 -0.93 0.00 5.75 -0.89 0.18 115.11 120.35 1wtj h GLN 47 Ca 0.14 -0.11 0.10 0.00 -0.15 0.00 0.00 58.65 58.64 1wtj h GLN 47 Cb 0.20 -0.09 -0.07 0.00 1.07 0.00 0.00 27.48 28.59 1wtj h GLN 47 CO -0.01 0.55 0.60 -0.09 -2.65 0.00 0.00 178.83 177.22 1wtj h ARG 48 N 0.47 0.90 -0.12 1.69 2.43 -0.55 -1.76 114.38 117.45 1wtj h ARG 48 Ca 0.13 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1wtj h ARG 48 Cb 0.19 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1wtj h ARG 48 CO -0.01 0.60 0.00 -0.25 -1.51 0.00 0.00 179.97 178.80 1wtj n ASP 49 N -4.55 1.53 0.00 -3.80 8.00 -0.51 -3.67 116.55 113.55 1wtj n ASP 49 Ca 0.16 -1.63 0.00 0.00 0.71 0.00 0.00 54.79 54.03 1wtj n ASP 49 Cb 0.31 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 1wtj n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wtj n GLY 50 N 1.13 0.47 2.60 0.44 0.00 -0.66 -4.50 105.19 104.67 1wtj n GLY 50 Ca 0.17 -0.75 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 1wtj n GLY 50 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wtj n SER 51 N 1.36 7.35 -0.33 1.61 7.64 0.59 -4.80 113.62 127.04 1wtj n SER 51 Ca 0.00 -3.26 0.18 0.00 1.01 0.00 0.00 58.87 56.80 1wtj n SER 51 Cb 0.00 -1.34 0.38 0.00 -1.01 0.00 0.00 64.21 62.24 1wtj n SER 51 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 1wtj h HIS 52 N 4.76 0.81 0.00 1.43 3.86 -1.89 0.39 115.15 124.51 1wtj h HIS 52 Ca 0.59 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.84 1wtj h HIS 52 Cb 0.38 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.64 1wtj h HIS 52 CO 1.46 -0.07 0.00 0.45 0.86 0.00 0.00 177.93 180.63 1wtj n SER 53 N -5.02 0.00 0.00 2.45 2.88 -1.26 -2.02 113.62 110.65 1wtj n SER 53 Ca 0.26 0.48 0.00 0.00 -1.33 0.00 0.00 58.87 58.28 1wtj n SER 53 Cb 0.78 -0.49 0.00 0.00 -0.75 0.00 0.00 64.21 63.75 1wtj n SER 53 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1wtj n HIS 54 N -1.49 0.00 0.00 0.66 -0.00 0.12 -4.71 115.22 109.81 1wtj n HIS 54 Ca 0.02 -0.11 0.00 0.00 -0.00 0.00 0.00 57.72 57.63 1wtj n HIS 54 Cb 0.11 -0.01 0.00 0.00 -0.00 0.00 0.00 29.99 30.09 1wtj n HIS 54 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1wtj n GLY 55 N -0.11 1.50 0.34 -1.41 0.00 -0.24 -4.74 105.19 100.53 1wtj n GLY 55 Ca 0.00 -1.47 0.18 0.00 0.00 0.00 0.00 46.02 44.73 1wtj n GLY 55 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1wtj h ILE 56 N 0.00 0.00 0.00 -0.61 3.07 -1.79 -0.19 117.51 117.99 1wtj h ILE 56 Ca 0.00 0.00 -0.01 0.00 1.55 0.00 0.00 64.86 66.40 1wtj h ILE 56 Cb 0.00 0.78 -0.00 0.00 -0.27 0.00 0.00 36.82 37.32 1wtj h ILE 56 CO 0.00 0.00 -0.06 0.15 -1.05 0.00 0.00 178.15 177.19 1wtj h PHE 57 N 0.00 0.00 0.00 0.16 3.57 -1.90 -2.23 116.94 116.53 1wtj h PHE 57 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1wtj h PHE 57 Cb 0.44 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.18 1wtj h PHE 57 CO 0.00 0.06 -0.13 0.54 -2.23 0.00 0.00 178.31 176.56 1wtj n ARG 58 N -4.10 0.02 -0.10 1.11 5.12 -0.08 -4.25 116.66 114.36 1wtj n ARG 58 Ca -0.03 0.01 -0.05 0.00 -1.93 0.00 0.00 57.85 55.85 1wtj n ARG 58 Cb 0.15 -1.52 0.01 0.00 -1.16 0.00 0.00 32.46 29.94 1wtj n ARG 58 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 1wtj h ILE 59 N 0.00 0.71 -0.88 0.55 1.08 -1.55 -1.08 117.51 116.34 1wtj h ILE 59 Ca 0.00 -0.03 0.08 0.00 -0.39 0.00 0.00 64.86 64.53 1wtj h ILE 59 Cb 0.52 0.63 -0.07 0.00 -3.07 0.00 0.00 36.82 34.83 1wtj h ILE 59 CO 0.00 0.01 0.54 -0.65 -0.69 0.00 0.00 178.15 177.36 1wtj h PRO 60 N 0.07 0.90 -0.43 2.37 0.11 -1.80 -0.65 132.00 132.57 1wtj h PRO 60 Ca 0.17 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 66.14 1wtj h PRO 60 Cb 0.25 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.14 1wtj h PRO 60 CO -0.31 0.59 -0.11 0.78 -0.21 0.00 0.00 178.00 178.74 1wtj h GLY 61 N 0.92 0.83 0.93 -0.55 0.00 -1.68 -0.09 103.07 103.43 1wtj h GLY 61 Ca 0.41 -0.63 -0.00 0.00 0.00 0.00 0.00 47.33 47.11 1wtj h GLY 61 CO -0.22 0.58 -0.01 -0.97 0.00 0.00 0.00 176.54 175.93 1wtj h TYR 62 N 0.70 -0.02 -0.56 5.60 -1.99 -0.25 -2.02 116.97 118.43 1wtj h TYR 62 Ca 0.12 -0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.74 1wtj h TYR 62 Cb 0.59 0.01 -0.02 0.00 2.00 0.00 0.00 36.73 39.31 1wtj h TYR 62 CO 0.03 0.06 -0.07 -0.07 -0.00 0.00 0.00 178.16 178.11 1wtj h LEU 63 N -0.09 1.01 -1.02 3.88 3.38 -0.97 -1.72 115.31 119.77 1wtj h LEU 63 Ca -0.00 -0.31 -0.08 0.00 0.09 0.00 0.00 57.88 57.58 1wtj h LEU 63 Cb 0.08 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1wtj h LEU 63 CO 0.00 1.10 -0.15 0.77 0.09 0.00 0.00 178.44 180.25 1wtj h SER 64 N 0.91 0.52 -0.27 -0.43 4.64 -0.99 -0.70 113.55 117.24 1wtj h SER 64 Ca 0.15 -0.15 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 1wtj h SER 64 Cb 0.62 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.57 1wtj h SER 64 CO 0.04 0.69 -0.40 0.28 -0.87 0.00 0.00 176.83 176.58 1wtj h SER 65 N 0.49 0.87 -0.32 4.97 0.02 -1.14 -3.13 113.55 115.30 1wtj h SER 65 Ca 0.09 -0.40 -0.14 0.00 -0.84 0.00 0.00 61.79 60.50 1wtj h SER 65 Cb 0.54 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 1wtj h SER 65 CO 0.03 1.16 -0.32 -0.07 -1.14 0.00 0.00 176.83 176.50 1wtj h LEU 66 N 0.67 0.89 -0.82 5.07 3.38 -0.98 -3.11 115.31 120.41 1wtj h LEU 66 Ca 0.05 -0.37 0.17 0.00 0.09 0.00 0.00 57.88 57.82 1wtj h LEU 66 Cb 0.96 -0.25 -0.11 0.00 0.09 0.00 0.00 40.66 41.36 1wtj h LEU 66 CO 0.09 1.13 0.35 0.00 0.09 0.00 0.00 178.44 180.10 1wtj h ALA 67 N 0.92 1.22 0.00 1.53 0.00 -1.07 -1.47 119.26 120.39 1wtj h ALA 67 Ca 0.08 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1wtj h ALA 67 Cb 0.87 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1wtj h ALA 67 CO 0.08 -0.24 -0.25 -1.13 0.00 0.00 0.00 179.25 177.71 1wtj n SER 68 N -5.00 0.31 0.00 0.00 3.41 -1.24 -4.90 113.62 106.19 1wtj n SER 68 Ca 0.17 0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.96 1wtj n SER 68 Cb 0.50 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 1wtj n SER 68 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wtj n GLY 69 N 1.47 0.77 0.32 5.00 0.00 -0.55 -4.92 105.19 107.28 1wtj n GLY 69 Ca 0.06 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.20 1wtj n GLY 69 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1wtj h TRP 70 N 0.00 0.77 -4.37 1.61 2.91 -1.77 -3.37 115.95 111.74 1wtj h TRP 70 Ca 0.00 0.04 -0.67 0.00 1.13 0.00 0.00 58.89 59.38 1wtj h TRP 70 Cb 0.00 -0.20 -0.30 0.00 -0.51 0.00 0.00 29.16 28.14 1wtj h TRP 70 CO 0.00 0.06 -0.88 0.54 -1.03 0.00 0.00 178.44 177.13 1wtj s VAL 71 N -5.89 1.94 -0.53 2.65 0.11 -1.21 -5.00 120.40 112.47 1wtj s VAL 71 Ca -0.12 -1.04 -0.20 0.00 -2.93 0.00 0.00 61.98 57.70 1wtj s VAL 71 Cb 0.24 -1.62 0.06 0.00 -1.53 0.00 0.00 36.38 33.53 1wtj s VAL 71 CO 0.78 0.55 0.69 -0.62 -3.33 0.00 0.00 175.10 173.17 1wtj s ASP 72 N -0.42 6.23 0.00 3.54 -1.08 0.12 -4.56 116.67 120.49 1wtj s ASP 72 Ca 0.05 -0.91 0.16 0.00 -0.52 0.00 0.00 52.55 51.33 1wtj s ASP 72 Cb -0.11 -2.32 0.83 0.00 -1.46 0.00 0.00 42.92 39.87 1wtj s ASP 72 CO 0.01 -0.99 1.46 0.61 0.52 0.00 0.00 175.17 176.77 1wtj n GLY 73 N 5.19 -0.78 0.33 2.66 0.00 -1.26 -2.36 105.19 108.96 1wtj n GLY 73 Ca -0.06 -0.08 0.04 0.00 0.00 0.00 0.00 46.02 45.92 1wtj n GLY 73 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wtj n LYS 74 N -1.25 2.81 -1.80 1.61 5.02 -1.26 -1.12 118.16 122.16 1wtj n LYS 74 Ca 0.08 -1.92 -0.40 0.00 -2.02 0.00 0.00 58.31 54.06 1wtj n LYS 74 Cb 0.12 -1.22 0.02 0.00 -0.02 0.00 0.00 35.03 33.93 1wtj n LYS 74 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wtj s ALA 75 N -1.30 3.25 -0.31 7.82 0.00 -1.00 -4.90 121.76 125.33 1wtj s ALA 75 Ca 0.15 1.47 -0.04 0.00 0.00 0.00 0.00 51.96 53.54 1wtj s ALA 75 Cb 0.10 -3.59 0.04 0.00 0.00 0.00 0.00 23.12 19.67 1wtj s ALA 75 CO 0.07 -1.19 0.04 0.08 0.00 0.00 0.00 175.76 174.77 1wtj s VAL 76 N -1.20 3.34 0.43 0.00 1.01 -1.26 -4.97 120.40 117.75 1wtj s VAL 76 Ca 0.61 -1.23 -0.26 0.00 0.00 0.00 0.00 61.98 61.10 1wtj s VAL 76 Cb -0.44 -2.89 -0.09 0.00 0.00 0.00 0.00 36.38 32.97 1wtj s VAL 76 CO 0.57 -0.11 1.36 -2.65 0.00 0.00 0.00 175.10 174.27 1wtj n PRO 77 N 4.71 2.13 -3.87 2.72 -0.02 -1.26 -4.78 135.00 134.64 1wtj n PRO 77 Ca -0.13 0.76 -0.36 0.00 -2.02 0.00 0.00 63.50 61.75 1wtj n PRO 77 Cb 0.44 -2.52 -0.13 0.00 -0.02 0.00 0.00 33.50 31.27 1wtj n PRO 77 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1wtj s VAL 78 N -1.19 3.37 -0.08 -1.45 1.01 -0.50 -4.96 120.40 116.60 1wtj s VAL 78 Ca 0.61 -0.92 -0.21 0.00 0.00 0.00 0.00 61.98 61.46 1wtj s VAL 78 Cb -0.48 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 1wtj s VAL 78 CO 0.58 0.11 0.59 -0.69 0.00 0.00 0.00 175.10 175.69 1wtj s VAL 79 N 1.40 5.08 -0.25 2.92 1.01 -1.26 -1.08 120.40 128.21 1wtj s VAL 79 Ca 0.01 1.20 0.02 0.00 0.00 0.00 0.00 61.98 63.21 1wtj s VAL 79 Cb -0.17 -3.92 0.05 0.00 0.00 0.00 0.00 36.38 32.34 1wtj s VAL 79 CO -0.01 0.32 -0.11 -1.61 0.00 0.00 0.00 175.10 173.69 1wtj s GLU 80 N 0.52 2.37 -0.70 2.72 2.02 0.13 -5.00 118.70 120.77 1wtj s GLU 80 Ca 0.31 -1.27 -0.23 0.00 0.02 0.00 0.00 54.97 53.81 1wtj s GLU 80 Cb -0.17 -2.89 0.07 0.00 0.10 0.00 0.00 34.13 31.24 1wtj s GLU 80 CO 0.15 -0.53 1.04 0.34 0.02 0.00 0.00 175.26 176.28 1wtj s ASP 81 N 1.15 6.20 0.00 -0.19 -1.08 -1.26 -1.00 116.67 120.49 1wtj s ASP 81 Ca -0.07 -0.96 0.15 0.00 -0.52 0.00 0.00 52.55 51.15 1wtj s ASP 81 Cb -0.19 -2.45 0.10 0.00 -1.46 0.00 0.00 42.92 38.92 1wtj s ASP 81 CO -0.05 -1.50 0.93 1.33 0.52 0.00 0.00 175.17 176.40 1wtj n VAL 82 N 6.01 0.00 -3.57 1.11 0.24 -1.01 -5.04 118.33 116.07 1wtj n VAL 82 Ca -0.00 -0.48 -0.05 0.00 -2.04 0.00 0.00 64.34 61.77 1wtj n VAL 82 Cb 0.46 1.28 -0.02 0.00 -1.47 0.00 0.00 33.84 34.10 1wtj n VAL 82 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1wtj s GLY 83 N -1.30 -0.36 0.55 7.63 0.00 -0.93 -4.90 107.32 108.01 1wtj s GLY 83 Ca 0.16 1.23 0.26 0.00 0.00 0.00 0.00 44.72 46.38 1wtj s GLY 83 CO 0.21 0.40 2.00 0.00 0.00 0.00 0.00 173.10 175.71 1wtj h ALA 84 N 2.00 2.31 0.00 3.20 0.00 -2.00 -2.43 119.26 122.34 1wtj h ALA 84 Ca -0.16 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 1wtj h ALA 84 Cb 1.20 0.03 -0.20 0.00 0.00 0.00 0.00 17.79 18.83 1wtj h ALA 84 CO 0.26 -0.59 -0.74 0.00 0.00 0.00 0.00 179.25 178.18 1wtj n ALA 85 N -2.53 2.74 -3.73 0.00 0.00 -1.26 -4.74 120.51 110.99 1wtj n ALA 85 Ca 0.08 -2.54 -0.16 0.00 0.00 0.00 0.00 53.44 50.82 1wtj n ALA 85 Cb 0.56 -0.56 -0.16 0.00 0.00 0.00 0.00 19.45 19.29 1wtj n ALA 85 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1wtj s PHE 86 N -1.24 -0.05 -0.03 0.00 5.36 -0.92 -1.01 117.98 120.09 1wtj s PHE 86 Ca 0.32 0.32 0.03 0.00 -0.96 0.00 0.00 56.93 56.64 1wtj s PHE 86 Cb 0.34 -0.24 0.00 0.00 -0.34 0.00 0.00 43.02 42.78 1wtj s PHE 86 CO -0.11 -0.16 -0.13 0.08 -1.46 0.00 0.00 175.22 173.45 1wtj s VAL 87 N 1.47 1.08 0.13 3.12 1.01 0.19 -2.19 120.40 125.22 1wtj s VAL 87 Ca -0.05 -0.52 0.10 0.00 0.00 0.00 0.00 61.98 61.51 1wtj s VAL 87 Cb -0.12 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 1wtj s VAL 87 CO -0.04 0.32 -0.22 -0.13 0.00 0.00 0.00 175.10 175.03 1wtj s ARG 88 N 0.14 1.61 -0.03 2.72 0.52 -0.17 -0.54 118.95 123.20 1wtj s ARG 88 Ca -0.04 -1.29 -0.01 0.00 -0.52 0.00 0.00 55.73 53.87 1wtj s ARG 88 Cb -0.10 -2.00 0.03 0.00 0.52 0.00 0.00 34.95 33.40 1wtj s ARG 88 CO 0.01 0.46 0.05 0.08 0.02 0.00 0.00 175.30 175.92 1wtj s VAL 89 N -1.20 -0.08 -0.36 3.52 1.01 -0.55 0.23 120.40 122.97 1wtj s VAL 89 Ca 0.17 0.27 -0.21 0.00 0.00 0.00 0.00 61.98 62.22 1wtj s VAL 89 Cb -0.10 -0.12 0.00 0.00 0.00 0.00 0.00 36.38 36.16 1wtj s VAL 89 CO 0.09 0.11 0.65 -0.62 0.00 0.00 0.00 175.10 175.33 1wtj s ASP 90 N 1.40 6.44 0.00 3.32 -1.08 -0.24 -1.42 116.67 125.09 1wtj s ASP 90 Ca -0.05 0.16 0.21 0.00 -0.52 0.00 0.00 52.55 52.35 1wtj s ASP 90 Cb -0.13 -2.33 0.93 0.00 -1.46 0.00 0.00 42.92 39.94 1wtj s ASP 90 CO -0.03 -0.61 1.68 0.00 0.52 0.00 0.00 175.17 176.73 1wtj n ALA 91 N 6.08 1.99 -3.88 3.66 0.00 0.05 -1.41 120.51 127.00 1wtj n ALA 91 Ca -0.01 -0.08 -0.25 0.00 0.00 0.00 0.00 53.44 53.11 1wtj n ALA 91 Cb 0.49 -1.34 -0.00 0.00 0.00 0.00 0.00 19.45 18.59 1wtj n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wtj n ASN 93 N -2.99 -5.03 -2.98 0.00 5.15 -0.41 -4.78 115.26 104.21 1wtj n ASN 93 Ca -0.27 0.27 -0.06 0.00 -0.60 0.00 0.00 54.58 53.92 1wtj n ASN 93 Cb 0.67 -3.51 0.02 0.00 -0.53 0.00 0.00 39.78 36.43 1wtj n ASN 93 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1wtj n GLY 94 N -0.69 1.95 3.79 8.20 0.00 -0.36 -0.70 105.19 117.37 1wtj n GLY 94 Ca -0.11 -2.16 -0.32 0.00 0.00 0.00 0.00 46.02 43.42 1wtj n GLY 94 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wtj s PHE 95 N -0.20 2.81 0.14 1.61 0.08 -1.26 -1.15 117.98 120.00 1wtj s PHE 95 Ca 0.20 1.52 -0.10 0.00 0.12 0.00 0.00 56.93 58.67 1wtj s PHE 95 Cb -0.02 -3.06 -0.05 0.00 -0.57 0.00 0.00 43.02 39.32 1wtj s PHE 95 CO 0.13 -1.44 1.43 0.00 -0.10 0.00 0.00 175.22 175.24 1wtj h ALA 96 N -0.04 0.51 -0.80 5.36 0.00 -1.23 -3.31 119.26 119.75 1wtj h ALA 96 Ca -0.46 -0.51 0.06 0.00 0.00 0.00 0.00 54.91 54.01 1wtj h ALA 96 Cb 1.23 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.88 1wtj h ALA 96 CO 0.55 0.68 0.48 1.96 0.00 0.00 0.00 179.25 182.92 1wtj h GLN 97 N 0.65 0.84 -0.28 0.00 7.50 -1.94 -0.60 115.11 121.29 1wtj h GLN 97 Ca 0.02 -0.05 -0.06 0.00 0.50 0.00 0.00 58.65 59.06 1wtj h GLN 97 Cb 1.13 -0.19 -0.02 0.00 0.05 0.00 0.00 27.48 28.45 1wtj h GLN 97 CO 0.12 0.56 -0.08 -1.35 -1.50 0.00 0.00 178.83 176.57 1wtj h PRO 98 N 0.87 0.45 -0.33 1.46 0.11 -1.95 -0.84 132.00 131.76 1wtj h PRO 98 Ca 0.36 -0.11 -0.11 0.00 0.11 0.00 0.00 66.00 66.25 1wtj h PRO 98 Cb 0.20 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.24 1wtj h PRO 98 CO -0.18 0.54 -0.20 0.00 -0.21 0.00 0.00 178.00 177.95 1wtj h ALA 99 N 1.49 0.47 -0.48 -0.75 0.00 -1.40 -1.44 119.26 117.15 1wtj h ALA 99 Ca 0.09 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1wtj h ALA 99 Cb 0.41 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1wtj h ALA 99 CO 0.02 0.43 0.23 1.25 0.00 0.00 0.00 179.25 181.18 1wtj h LEU 100 N 0.50 0.63 -1.11 0.00 5.85 -0.86 -2.79 115.31 117.54 1wtj h LEU 100 Ca 0.07 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1wtj h LEU 100 Cb 0.75 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.58 1wtj h LEU 100 CO 0.06 0.59 0.47 0.00 -0.34 0.00 0.00 178.44 179.22 1wtj h ALA 101 N 1.07 1.33 0.00 1.25 0.00 -1.03 0.85 119.26 122.73 1wtj h ALA 101 Ca 0.16 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1wtj h ALA 101 Cb 0.13 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1wtj h ALA 101 CO -0.02 0.57 -0.19 0.00 0.00 0.00 0.00 179.25 179.61 1wtj h ALA 102 N 1.42 1.39 -0.01 0.00 0.00 -1.00 -3.12 119.26 117.94 1wtj h ALA 102 Ca 0.29 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1wtj h ALA 102 Cb -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1wtj h ALA 102 CO -0.05 0.24 -0.20 0.00 0.00 0.00 0.00 179.25 179.23 1wtj n ALA 103 N -2.37 2.84 -0.14 0.00 0.00 -0.88 -4.74 120.51 115.23 1wtj n ALA 103 Ca -0.02 -0.48 -0.03 0.00 0.00 0.00 0.00 53.44 52.91 1wtj n ALA 103 Cb 0.28 -0.40 0.04 0.00 0.00 0.00 0.00 19.45 19.38 1wtj n ALA 103 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1wtj h ARG 104 N 1.41 0.09 -0.60 0.00 2.43 -0.78 -0.43 114.38 116.50 1wtj h ARG 104 Ca 0.00 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1wtj h ARG 104 Cb 0.40 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 1wtj h ARG 104 CO 0.00 0.06 0.33 0.66 -1.51 0.00 0.00 179.97 179.51 1wtj h SER 105 N 0.09 0.75 -0.64 -3.80 4.64 -1.85 -0.66 113.55 112.08 1wtj h SER 105 Ca 0.23 -0.09 -0.09 0.00 -0.47 0.00 0.00 61.79 61.36 1wtj h SER 105 Cb 0.34 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.21 1wtj h SER 105 CO -0.39 0.63 0.05 0.25 -0.87 0.00 0.00 176.83 176.49 1wtj h LEU 106 N 0.81 1.07 -0.38 5.97 5.85 -1.80 -1.40 115.31 125.43 1wtj h LEU 106 Ca 0.21 -0.29 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 1wtj h LEU 106 Cb 0.04 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 1wtj h LEU 106 CO -0.03 1.09 0.22 0.25 -0.34 0.00 0.00 178.44 179.62 1wtj h LEU 107 N 1.01 0.46 -0.67 2.25 5.85 -0.69 -1.09 115.31 122.43 1wtj h LEU 107 Ca 0.19 -0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.75 1wtj h LEU 107 Cb 0.51 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 1wtj h LEU 107 CO 0.02 0.40 0.10 0.40 -0.34 0.00 0.00 178.44 179.03 1wtj h ILE 108 N 0.49 1.26 -0.59 4.05 2.04 -0.99 -0.04 117.51 123.73 1wtj h ILE 108 Ca 0.13 -1.05 -0.01 0.00 1.00 0.00 0.00 64.86 64.94 1wtj h ILE 108 Cb 0.03 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 1wtj h ILE 108 CO -0.02 0.39 0.34 0.44 0.00 0.00 0.00 178.15 179.30 1wtj h ASP 109 N 1.04 0.72 -0.41 1.72 3.32 -0.95 -1.11 116.42 120.76 1wtj h ASP 109 Ca 0.20 -0.07 -0.07 0.00 0.02 0.00 0.00 57.03 57.10 1wtj h ASP 109 Cb 0.45 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 1wtj h ASP 109 CO 0.01 0.59 -0.04 0.11 -1.72 0.00 0.00 179.24 178.19 1wtj h LYS 110 N 0.80 0.74 -0.67 3.56 1.57 -0.93 -1.11 116.57 120.53 1wtj h LYS 110 Ca 0.21 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1wtj h LYS 110 Cb 0.01 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 1wtj h LYS 110 CO -0.04 0.85 0.44 0.00 -0.57 0.00 0.00 179.45 180.13 1wtj h ALA 111 N 0.87 0.86 -0.12 3.86 0.00 -0.74 0.27 119.26 124.25 1wtj h ALA 111 Ca 0.11 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 1wtj h ALA 111 Cb 0.54 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1wtj h ALA 111 CO 0.03 0.29 -0.60 0.00 0.00 0.00 0.00 179.25 178.97 1wtj h ARG 112 N 0.91 0.41 0.03 0.00 3.08 -1.13 0.10 114.38 117.80 1wtj h ARG 112 Ca 0.25 -0.28 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 1wtj h ARG 112 Cb -0.09 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.00 1wtj h ARG 112 CO -0.05 0.89 -0.02 1.03 -1.07 0.00 0.00 179.97 180.75 1wtj h SER 113 N 0.31 -0.04 1.42 7.04 0.87 -0.87 -3.37 113.55 118.91 1wtj h SER 113 Ca -0.00 -0.57 -0.10 0.00 -1.23 0.00 0.00 61.79 59.89 1wtj h SER 113 Cb 1.13 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 63.08 1wtj h SER 113 CO 0.10 0.72 -0.59 0.00 -0.53 0.00 0.00 176.83 176.53 1wtj h ALA 114 N -0.33 0.70 0.00 6.23 0.00 -0.60 -3.48 119.26 121.78 1wtj h ALA 114 Ca -0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1wtj h ALA 114 Cb 0.61 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1wtj h ALA 114 CO 0.01 0.56 0.00 0.41 0.00 0.00 0.00 179.25 180.23 1wtj n GLY 115 N 1.23 1.58 3.39 0.00 0.00 0.35 -5.02 105.19 106.72 1wtj n GLY 115 Ca 0.01 -0.05 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 1wtj n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wtj s VAL 116 N -1.78 0.03 -0.05 1.61 0.11 -1.16 -0.94 120.40 118.22 1wtj s VAL 116 Ca 0.00 -0.25 -0.21 0.00 -2.93 0.00 0.00 61.98 58.60 1wtj s VAL 116 Cb 0.00 -0.93 0.04 0.00 -1.53 0.00 0.00 36.38 33.96 1wtj s VAL 116 CO 0.00 -0.14 0.46 0.00 -3.33 0.00 0.00 175.10 172.10 1wtj s ALA 117 N -2.08 -1.19 -0.00 1.54 0.00 -0.04 -4.42 121.76 115.57 1wtj s ALA 117 Ca -0.07 0.80 0.05 0.00 0.00 0.00 0.00 51.96 52.73 1wtj s ALA 117 Cb -0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.03 1wtj s ALA 117 CO 0.01 -0.30 -0.14 0.42 0.00 0.00 0.00 175.76 175.76 1wtj s ILE 118 N -1.11 3.13 -0.17 0.00 1.01 -0.18 -1.00 121.20 122.88 1wtj s ILE 118 Ca -0.11 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 59.64 1wtj s ILE 118 Cb -0.03 -2.30 0.02 0.00 0.01 0.00 0.00 42.46 40.16 1wtj s ILE 118 CO 0.06 0.44 -0.17 -0.22 0.00 0.00 0.00 174.94 175.05 1wtj s LEU 119 N -1.19 1.93 -0.36 2.97 2.96 -0.03 -0.63 118.68 124.32 1wtj s LEU 119 Ca 0.14 -0.59 -0.02 0.00 -0.22 0.00 0.00 54.13 53.45 1wtj s LEU 119 Cb -0.11 -1.32 0.09 0.00 0.50 0.00 0.00 46.19 45.35 1wtj s LEU 119 CO 0.04 -0.04 0.12 0.00 -1.32 0.00 0.00 176.35 175.15 1wtj s ALA 120 N 1.39 3.01 -0.12 5.97 0.00 0.30 -1.25 121.76 131.07 1wtj s ALA 120 Ca 0.05 -2.24 -0.16 0.00 0.00 0.00 0.00 51.96 49.60 1wtj s ALA 120 Cb -0.13 -2.21 -0.05 0.00 0.00 0.00 0.00 23.12 20.73 1wtj s ALA 120 CO -0.12 -1.59 0.39 0.42 0.00 0.00 0.00 175.76 174.86 1wtj s ILE 121 N 1.17 5.21 0.12 0.00 1.01 0.40 -1.48 121.20 127.64 1wtj s ILE 121 Ca 0.04 0.77 0.08 0.00 0.00 0.00 0.00 60.65 61.54 1wtj s ILE 121 Cb -0.21 -3.73 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 1wtj s ILE 121 CO -0.03 0.39 -0.19 0.00 0.00 0.00 0.00 174.94 175.11 1wtj s ARG 122 N 0.29 1.13 -0.99 2.79 1.70 -0.50 -0.96 118.95 122.40 1wtj s ARG 122 Ca 0.22 -1.22 -0.04 0.00 -0.47 0.00 0.00 55.73 54.22 1wtj s ARG 122 Cb -0.14 -1.28 0.00 0.00 -0.57 0.00 0.00 34.95 32.96 1wtj s ARG 122 CO 0.08 0.28 0.47 0.41 -1.08 0.00 0.00 175.30 175.47 1wtj n GLY 123 N 0.82 -0.09 3.63 3.88 0.00 -0.41 -0.77 105.19 112.25 1wtj n GLY 123 Ca -0.17 -0.16 -0.25 0.00 0.00 0.00 0.00 46.02 45.43 1wtj n GLY 123 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wtj s SER 124 N -2.89 4.52 -0.20 1.61 1.04 -1.01 -1.29 113.70 115.48 1wtj s SER 124 Ca 0.23 -0.55 -0.02 0.00 0.48 0.00 0.00 55.95 56.09 1wtj s SER 124 Cb -0.10 -0.85 -0.00 0.00 0.10 0.00 0.00 66.02 65.16 1wtj s SER 124 CO 0.29 0.06 -0.09 -1.00 0.98 0.00 0.00 173.24 173.48 1wtj s HIS 125 N -1.95 2.90 -0.22 5.02 3.76 -0.30 -0.80 115.29 123.70 1wtj s HIS 125 Ca 0.28 -1.04 -0.01 0.00 -0.15 0.00 0.00 55.06 54.14 1wtj s HIS 125 Cb -0.08 -2.03 0.02 0.00 1.11 0.00 0.00 32.58 31.60 1wtj s HIS 125 CO 0.18 -0.55 -0.11 -1.58 -0.85 0.00 0.00 174.74 171.83 1wtj s HIS 126 N 1.26 2.95 -0.22 1.40 5.04 -1.25 -0.68 115.29 123.78 1wtj s HIS 126 Ca 0.03 -1.49 0.15 0.00 -1.54 0.00 0.00 55.06 52.21 1wtj s HIS 126 Cb -0.14 -2.01 0.46 0.00 0.04 0.00 0.00 32.58 30.93 1wtj s HIS 126 CO -0.04 -0.73 1.17 0.34 -2.34 0.00 0.00 174.74 173.15 1wtj n PHE 127 N 4.67 1.38 -4.09 3.88 7.35 -1.26 -4.51 117.46 124.87 1wtj n PHE 127 Ca -0.18 -1.80 -0.10 0.00 -0.76 0.00 0.00 57.45 54.61 1wtj n PHE 127 Cb 0.49 -0.26 -0.04 0.00 0.35 0.00 0.00 39.48 40.01 1wtj n PHE 127 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1wtj n ALA 128 N -0.59 0.28 -1.42 3.13 0.00 -1.26 -5.02 120.51 115.62 1wtj n ALA 128 Ca 0.24 -1.03 -0.31 0.00 0.00 0.00 0.00 53.44 52.33 1wtj n ALA 128 Cb 0.89 0.84 0.07 0.00 0.00 0.00 0.00 19.45 21.25 1wtj n ALA 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wtj s ALA 129 N -2.64 2.45 -0.11 0.00 0.00 -1.26 -4.99 121.76 115.22 1wtj s ALA 129 Ca 0.21 0.16 0.16 0.00 0.00 0.00 0.00 51.96 52.48 1wtj s ALA 129 Cb 0.01 -3.22 -0.22 0.00 0.00 0.00 0.00 23.12 19.69 1wtj s ALA 129 CO 0.15 -1.51 0.52 -0.11 0.00 0.00 0.00 175.76 174.81 1wtj n LEU 130 N -3.33 0.58 -0.07 0.00 7.94 -1.26 -4.32 117.00 116.54 1wtj n LEU 130 Ca 0.08 0.27 0.19 0.00 -1.11 0.00 0.00 56.01 55.44 1wtj n LEU 130 Cb 0.53 0.24 0.62 0.00 0.53 0.00 0.00 43.42 45.34 1wtj n LEU 130 CO 0.55 0.35 1.20 4.11 -1.11 0.00 0.00 177.39 182.48 1wtj h TRP 131 N 0.00 0.18 0.00 1.96 5.08 -1.94 -0.24 115.95 120.99 1wtj h TRP 131 Ca -0.32 0.01 -0.01 0.00 1.08 0.00 0.00 58.89 59.65 1wtj h TRP 131 Cb 1.94 -0.06 -0.00 0.00 -3.00 0.00 0.00 29.16 28.04 1wtj h TRP 131 CO 0.00 0.07 -0.03 -1.35 -1.28 0.00 0.00 178.44 175.85 1wtj h PRO 132 N 0.15 0.00 0.00 0.12 0.11 -2.00 -1.49 132.00 128.90 1wtj h PRO 132 Ca 0.30 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 66.24 1wtj h PRO 132 Cb 0.97 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.05 1wtj h PRO 132 CO -0.04 0.03 -0.82 -0.44 -0.21 0.00 0.00 178.00 176.52 1wtj h ASP 133 N 0.00 0.00 0.11 -2.05 3.32 -1.31 -3.36 116.42 113.13 1wtj h ASP 133 Ca -0.00 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.77 1wtj h ASP 133 Cb 0.19 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.69 1wtj h ASP 133 CO 0.00 0.81 -2.17 1.33 -1.72 0.00 0.00 179.24 177.50 1wtj n VAL 134 N -3.30 1.14 -0.17 -1.35 0.24 -0.96 -4.58 118.33 109.35 1wtj n VAL 134 Ca 0.01 -0.77 -0.01 0.00 -2.04 0.00 0.00 64.34 61.52 1wtj n VAL 134 Cb 0.86 -0.45 0.06 0.00 -1.47 0.00 0.00 33.84 32.85 1wtj n VAL 134 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1wtj h GLU 135 N 0.00 0.08 -0.89 7.34 4.81 -1.43 -2.35 114.58 122.13 1wtj h GLU 135 Ca -0.39 -0.00 0.11 0.00 -0.13 0.00 0.00 59.36 58.94 1wtj h GLU 135 Cb 1.94 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 31.23 1wtj h GLU 135 CO 0.03 0.05 0.58 -1.35 -0.73 0.00 0.00 179.01 177.59 1wtj h PRO 136 N 0.08 0.81 -0.49 0.92 0.11 -1.81 -0.77 132.00 130.86 1wtj h PRO 136 Ca 0.27 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.26 1wtj h PRO 136 Cb 0.42 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.33 1wtj h PRO 136 CO -0.48 0.54 0.05 0.74 -0.21 0.00 0.00 178.00 178.64 1wtj h PHE 137 N 0.84 0.90 -0.14 0.65 0.04 -1.70 -2.73 116.94 114.79 1wtj h PHE 137 Ca 0.42 -0.14 -0.10 0.00 2.80 0.00 0.00 57.97 60.96 1wtj h PHE 137 Cb 0.49 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.39 1wtj h PHE 137 CO -0.00 0.83 -0.36 0.00 -0.60 0.00 0.00 178.31 178.18 1wtj h ALA 138 N 0.95 1.13 0.00 2.45 0.00 -1.20 -0.72 119.26 121.87 1wtj h ALA 138 Ca 0.14 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1wtj h ALA 138 Cb 0.44 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1wtj h ALA 138 CO 0.02 0.57 -0.10 0.93 0.00 0.00 0.00 179.25 180.67 1wtj h GLU 139 N 0.25 0.00 -0.66 0.00 5.08 -0.93 -1.76 114.58 116.56 1wtj h GLU 139 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1wtj h GLU 139 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1wtj h GLU 139 CO 0.06 0.10 0.00 1.04 -1.00 0.00 0.00 179.01 179.20 1wtj n GLN 140 N -3.47 3.45 -0.75 2.33 6.02 -0.73 -4.93 117.38 119.28 1wtj n GLN 140 Ca -0.01 -2.66 0.00 0.00 -0.01 0.00 0.00 57.00 54.31 1wtj n GLN 140 Cb 0.24 -1.82 0.00 0.00 1.02 0.00 0.00 30.24 29.68 1wtj n GLN 140 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wtj n GLY 141 N 1.17 0.71 3.85 1.08 0.00 -0.66 -5.05 105.19 106.28 1wtj n GLY 141 Ca 0.24 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.02 1wtj n GLY 141 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wtj s LEU 142 N 0.00 3.93 -0.14 0.99 1.43 -0.35 -4.59 118.68 119.95 1wtj s LEU 142 Ca 0.00 -0.11 -0.07 0.00 -1.03 0.00 0.00 54.13 52.91 1wtj s LEU 142 Cb 0.00 -2.50 -0.04 0.00 0.03 0.00 0.00 46.19 43.67 1wtj s LEU 142 CO 0.00 0.01 0.13 -0.69 0.23 0.00 0.00 176.35 176.03 1wtj s VAL 143 N -1.91 5.40 -0.00 -1.59 1.01 -0.09 -2.92 120.40 120.30 1wtj s VAL 143 Ca 0.32 0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.49 1wtj s VAL 143 Cb -0.09 -3.38 -0.00 0.00 0.00 0.00 0.00 36.38 32.91 1wtj s VAL 143 CO 0.25 0.57 -0.04 0.00 0.00 0.00 0.00 175.10 175.88 1wtj s ALA 144 N -0.65 0.36 -0.04 5.51 0.00 -0.31 -0.10 121.76 126.51 1wtj s ALA 144 Ca 0.13 -0.21 0.04 0.00 0.00 0.00 0.00 51.96 51.92 1wtj s ALA 144 Cb -0.12 -0.08 -0.00 0.00 0.00 0.00 0.00 23.12 22.92 1wtj s ALA 144 CO 0.02 0.08 -0.15 -1.17 0.00 0.00 0.00 175.76 174.55 1wtj s LEU 145 N -0.16 1.86 0.03 0.00 0.20 -0.23 -0.70 118.68 119.68 1wtj s LEU 145 Ca 0.01 -0.31 0.01 0.00 0.69 0.00 0.00 54.13 54.53 1wtj s LEU 145 Cb -0.02 -0.86 -0.02 0.00 -0.43 0.00 0.00 46.19 44.85 1wtj s LEU 145 CO -0.00 0.12 -0.05 -0.55 -0.29 0.00 0.00 176.35 175.58 1wtj s SER 146 N 0.14 0.52 -0.00 3.68 0.15 -0.09 -0.58 113.70 117.52 1wtj s SER 146 Ca -0.05 -0.58 -0.00 0.00 0.70 0.00 0.00 55.95 56.02 1wtj s SER 146 Cb -0.11 0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.28 1wtj s SER 146 CO 0.02 -0.30 0.01 -0.04 1.20 0.00 0.00 173.24 174.14 1wtj s MET 147 N -1.80 0.01 -0.03 5.44 -1.94 -0.61 -1.04 119.30 119.33 1wtj s MET 147 Ca -0.11 0.03 -0.01 0.00 -1.71 0.00 0.00 55.69 53.89 1wtj s MET 147 Cb -0.08 -0.02 0.03 0.00 2.01 0.00 0.00 34.83 36.77 1wtj s MET 147 CO -0.01 -0.02 0.04 0.08 -0.01 0.00 0.00 175.02 175.10 1wtj s VAL 148 N 0.10 -0.01 0.23 -6.03 1.01 -1.05 -1.48 120.40 113.17 1wtj s VAL 148 Ca -0.01 0.28 -0.09 0.00 0.00 0.00 0.00 61.98 62.16 1wtj s VAL 148 Cb -0.01 -0.17 -0.07 0.00 0.00 0.00 0.00 36.38 36.12 1wtj s VAL 148 CO -0.00 0.15 0.55 0.54 0.00 0.00 0.00 175.10 176.33 1wtj s ASN 149 N 1.60 6.62 0.00 3.32 4.22 -1.26 -3.00 114.94 126.44 1wtj s ASN 149 Ca -0.02 0.91 0.00 0.00 -2.14 0.00 0.00 52.86 51.61 1wtj s ASN 149 Cb -0.13 -2.22 0.00 0.00 1.28 0.00 0.00 41.25 40.18 1wtj s ASN 149 CO -0.03 -0.08 0.00 -1.54 -2.04 0.00 0.00 177.10 173.41 1wtj n SER 150 N -0.17 0.00 -4.13 3.54 3.41 -1.26 -4.58 113.62 110.43 1wtj n SER 150 Ca 0.00 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.37 1wtj n SER 150 Cb 0.52 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.32 1wtj n SER 150 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1wtj s MET 151 N 2.67 1.46 -0.49 4.33 1.75 -1.26 -4.25 119.30 123.51 1wtj s MET 151 Ca 0.00 -0.57 -0.47 0.00 -1.25 0.00 0.00 55.69 53.40 1wtj s MET 151 Cb 0.00 -1.35 -0.20 0.00 2.84 0.00 0.00 34.83 36.12 1wtj s MET 151 CO 0.00 0.30 1.62 2.41 -0.65 0.00 0.00 175.02 178.70 1wtj n THR 152 N 2.89 0.01 -0.76 10.11 -1.04 -0.76 -4.13 114.28 120.61 1wtj n THR 152 Ca -0.16 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 1wtj n THR 152 Cb 0.54 -0.53 0.00 0.00 -1.82 0.00 0.00 70.33 68.52 1wtj n THR 152 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1wtj s VAL 154 N 0.00 3.47 -0.29 0.00 1.01 0.23 0.38 120.40 125.19 1wtj s VAL 154 Ca 0.00 -0.50 -0.28 0.00 0.00 0.00 0.00 61.98 61.20 1wtj s VAL 154 Cb 0.00 -2.51 0.01 0.00 0.00 0.00 0.00 36.38 33.88 1wtj s VAL 154 CO 0.00 0.49 1.03 -0.69 0.00 0.00 0.00 175.10 175.93 1wtj s VAL 155 N 0.55 4.59 0.60 2.92 1.01 -0.32 -0.91 120.40 128.84 1wtj s VAL 155 Ca -0.05 1.74 -0.20 0.00 0.00 0.00 0.00 61.98 63.47 1wtj s VAL 155 Cb -0.15 -4.35 -0.04 0.00 0.00 0.00 0.00 36.38 31.84 1wtj s VAL 155 CO 0.03 -0.37 1.23 -2.65 0.00 0.00 0.00 175.10 173.34 1wtj n PRO 156 N 6.64 1.28 -1.67 2.72 -0.02 -1.26 -4.28 135.00 138.41 1wtj n PRO 156 Ca 0.11 0.48 -0.47 0.00 -2.02 0.00 0.00 63.50 61.60 1wtj n PRO 156 Cb 0.47 -2.45 -0.04 0.00 -0.02 0.00 0.00 33.50 31.45 1wtj n PRO 156 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 1wtj n HIS 157 N -1.52 2.28 0.00 6.00 -0.00 -1.26 -0.95 115.22 119.77 1wtj n HIS 157 Ca 0.13 0.16 0.00 0.00 0.46 0.00 0.00 57.72 58.47 1wtj n HIS 157 Cb 0.46 -2.59 0.00 0.00 -0.12 0.00 0.00 29.99 27.74 1wtj n HIS 157 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1wtj n GLY 158 N 3.83 1.85 3.94 1.57 0.00 -1.26 -5.04 105.19 110.08 1wtj n GLY 158 Ca 0.20 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 1wtj n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wtj s ALA 159 N -2.48 3.09 -0.30 4.61 0.00 -0.12 -5.04 121.76 121.52 1wtj s ALA 159 Ca 0.00 -1.12 0.09 0.00 0.00 0.00 0.00 51.96 50.93 1wtj s ALA 159 Cb 0.00 -2.52 -0.12 0.00 0.00 0.00 0.00 23.12 20.48 1wtj s ALA 159 CO 0.00 -1.54 0.34 2.89 0.00 0.00 0.00 175.76 177.45 1wtj n ARG 160 N -3.06 2.79 -4.16 0.00 1.85 -1.26 -4.87 116.66 107.96 1wtj n ARG 160 Ca 0.11 -0.03 -0.14 0.00 -1.00 0.00 0.00 57.85 56.79 1wtj n ARG 160 Cb 0.60 -1.03 -0.11 0.00 -1.05 0.00 0.00 32.46 30.88 1wtj n ARG 160 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1wtj s GLN 161 N -2.12 0.79 0.63 2.89 -1.52 -1.26 -4.88 119.66 114.19 1wtj s GLN 161 Ca 0.01 -1.12 -0.16 0.00 -1.95 0.00 0.00 55.36 52.14 1wtj s GLN 161 Cb 0.07 -0.45 -0.02 0.00 -0.22 0.00 0.00 33.01 32.40 1wtj s GLN 161 CO 0.39 0.06 1.12 -1.25 -0.25 0.00 0.00 175.29 175.36 1wtj s PRO 162 N -2.76 2.94 0.07 2.91 0.04 -1.26 -4.25 135.00 132.69 1wtj s PRO 162 Ca 0.04 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.54 1wtj s PRO 162 Cb -0.03 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.55 1wtj s PRO 162 CO -0.01 -1.15 0.00 -0.11 0.04 0.00 0.00 177.00 175.77 1wtj n LEU 163 N -2.11 -0.42 -4.84 -3.56 7.94 -0.09 -4.85 117.00 109.08 1wtj n LEU 163 Ca 0.11 0.13 -0.31 0.00 -1.11 0.00 0.00 56.01 54.83 1wtj n LEU 163 Cb 0.52 0.62 0.05 0.00 0.53 0.00 0.00 43.42 45.13 1wtj n LEU 163 CO 0.46 -0.45 0.72 -0.36 -1.11 0.00 0.00 177.39 176.65 1wtj s PHE 164 N -2.00 3.20 0.43 1.96 0.08 -0.94 -4.27 117.98 116.44 1wtj s PHE 164 Ca 0.00 1.30 -0.01 0.00 0.12 0.00 0.00 56.93 58.35 1wtj s PHE 164 Cb 0.00 -2.91 0.09 0.00 -0.57 0.00 0.00 43.02 39.63 1wtj s PHE 164 CO 0.00 -1.20 0.58 0.41 -0.10 0.00 0.00 175.22 174.91 1wtj n GLY 165 N -2.29 0.60 0.27 4.36 0.00 -1.26 -0.60 105.19 106.26 1wtj n GLY 165 Ca 0.07 -1.98 0.18 0.00 0.00 0.00 0.00 46.02 44.28 1wtj n GLY 165 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1wtj h THR 166 N -0.56 0.00 -5.78 2.61 1.35 -1.93 -3.42 112.91 105.18 1wtj h THR 166 Ca -0.19 -0.22 -0.31 0.00 -0.55 0.00 0.00 66.41 65.14 1wtj h THR 166 Cb 0.70 1.11 0.01 0.00 -1.73 0.00 0.00 68.15 68.24 1wtj h THR 166 CO 0.20 0.00 -0.79 0.59 -0.25 0.00 0.00 175.52 175.27 1wtj n ASN 167 N -2.86 -3.42 -4.81 5.36 3.02 -1.26 -0.94 115.26 110.34 1wtj n ASN 167 Ca -0.01 -0.46 -0.32 0.00 -0.03 0.00 0.00 54.58 53.77 1wtj n ASN 167 Cb 0.17 -1.08 0.03 0.00 -0.61 0.00 0.00 39.78 38.29 1wtj n ASN 167 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1wtj s PRO 168 N -3.12 3.12 -0.02 3.52 0.04 -1.16 -2.96 135.00 134.42 1wtj s PRO 168 Ca 0.10 1.07 0.04 0.00 0.04 0.00 0.00 61.00 62.25 1wtj s PRO 168 Cb -0.01 -2.01 -0.00 0.00 0.04 0.00 0.00 34.50 32.51 1wtj s PRO 168 CO 0.61 -0.96 -0.13 0.42 0.04 0.00 0.00 177.00 176.98 1wtj s ILE 169 N -2.77 1.06 0.07 0.56 1.01 0.07 -2.53 121.20 118.68 1wtj s ILE 169 Ca 0.61 -0.54 0.05 0.00 0.00 0.00 0.00 60.65 60.76 1wtj s ILE 169 Cb -0.15 -0.91 -0.03 0.00 0.01 0.00 0.00 42.46 41.38 1wtj s ILE 169 CO 0.46 0.31 -0.14 0.00 0.00 0.00 0.00 174.94 175.57 1wtj s ALA 170 N -0.08 1.17 -0.04 9.38 0.00 -0.20 -0.95 121.76 131.03 1wtj s ALA 170 Ca 0.01 -1.02 -0.03 0.00 0.00 0.00 0.00 51.96 50.91 1wtj s ALA 170 Cb -0.08 -0.08 0.02 0.00 0.00 0.00 0.00 23.12 22.98 1wtj s ALA 170 CO 0.00 0.15 0.11 0.12 0.00 0.00 0.00 175.76 176.14 1wtj s PHE 171 N -1.39 -0.12 -0.01 0.00 5.36 -0.40 -0.91 117.98 120.51 1wtj s PHE 171 Ca -0.01 0.32 0.01 0.00 -0.96 0.00 0.00 56.93 56.28 1wtj s PHE 171 Cb -0.09 0.00 0.01 0.00 -0.34 0.00 0.00 43.02 42.60 1wtj s PHE 171 CO 0.02 -0.08 -0.02 0.20 -1.46 0.00 0.00 175.22 173.88 1wtj s GLY 172 N 0.33 0.21 -0.06 13.12 0.00 0.13 -1.48 107.32 119.56 1wtj s GLY 172 Ca -0.02 -0.04 -0.08 0.00 0.00 0.00 0.00 44.72 44.58 1wtj s GLY 172 CO -0.01 0.14 0.20 0.00 0.00 0.00 0.00 173.10 173.43 1wtj s ALA 173 N 0.33 -0.50 0.66 3.20 0.00 -0.05 -1.17 121.76 124.23 1wtj s ALA 173 Ca -0.03 0.42 -0.11 0.00 0.00 0.00 0.00 51.96 52.23 1wtj s ALA 173 Cb -0.06 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.83 1wtj s ALA 173 CO -0.01 -0.14 1.05 -1.25 0.00 0.00 0.00 175.76 175.41 1wtj s PRO 174 N -0.32 3.24 -0.05 0.00 0.04 -1.26 -0.41 135.00 136.23 1wtj s PRO 174 Ca -0.04 0.89 -0.04 0.00 0.04 0.00 0.00 61.00 61.84 1wtj s PRO 174 Cb -0.03 -2.03 0.01 0.00 0.04 0.00 0.00 34.50 32.49 1wtj s PRO 174 CO 0.01 -0.86 0.12 -0.98 0.04 0.00 0.00 177.00 175.33 1wtj s ARG 175 N -5.03 0.13 0.45 4.56 1.70 -1.26 -4.58 118.95 114.93 1wtj s ARG 175 Ca 0.57 0.18 0.14 0.00 -0.47 0.00 0.00 55.73 56.15 1wtj s ARG 175 Cb -0.13 0.05 1.02 0.00 -0.57 0.00 0.00 34.95 35.32 1wtj s ARG 175 CO 0.53 -0.03 2.01 0.00 -1.08 0.00 0.00 175.30 176.74 1wtj h ALA 176 N 6.07 1.73 -0.41 7.88 0.00 -1.56 -3.23 119.26 129.75 1wtj h ALA 176 Ca -0.26 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.41 1wtj h ALA 176 Cb 1.20 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.89 1wtj h ALA 176 CO 0.43 0.20 0.05 0.41 0.00 0.00 0.00 179.25 180.35 1wtj n GLY 177 N -1.11 4.15 0.00 0.00 0.00 -1.26 -5.05 105.19 101.92 1wtj n GLY 177 Ca -0.02 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.92 1wtj n GLY 177 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wtj n GLY 178 N -0.57 0.50 3.78 -0.02 0.00 -1.22 -5.15 105.19 102.51 1wtj n GLY 178 Ca 0.29 -0.80 -0.31 0.00 0.00 0.00 0.00 46.02 45.20 1wtj n GLY 178 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wtj s GLU 179 N -1.87 2.44 0.48 1.61 2.02 -1.26 -4.50 118.70 117.63 1wtj s GLU 179 Ca 0.00 1.14 -0.22 0.00 0.02 0.00 0.00 54.97 55.91 1wtj s GLU 179 Cb 0.00 -1.92 -0.09 0.00 0.10 0.00 0.00 34.13 32.22 1wtj s GLU 179 CO 0.00 -1.50 0.92 -2.30 0.02 0.00 0.00 175.26 172.41 1wtj n PRO 180 N -3.34 1.11 -2.83 0.39 -0.02 -1.26 -4.65 135.00 124.39 1wtj n PRO 180 Ca 0.09 0.41 -0.42 0.00 -2.02 0.00 0.00 63.50 61.55 1wtj n PRO 180 Cb 0.53 -2.01 -0.04 0.00 -0.02 0.00 0.00 33.50 31.96 1wtj n PRO 180 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1wtj s ILE 181 N -1.39 4.64 -0.02 4.25 1.01 0.45 -4.91 121.20 125.22 1wtj s ILE 181 Ca 0.67 1.21 0.00 0.00 0.00 0.00 0.00 60.65 62.53 1wtj s ILE 181 Cb -0.51 -4.29 0.02 0.00 0.01 0.00 0.00 42.46 37.69 1wtj s ILE 181 CO 0.54 -0.46 0.01 -0.69 0.00 0.00 0.00 174.94 174.33 1wtj s VAL 182 N 3.35 0.08 0.10 2.92 1.01 -1.20 -0.87 120.40 125.80 1wtj s VAL 182 Ca 0.37 0.08 0.04 0.00 0.00 0.00 0.00 61.98 62.47 1wtj s VAL 182 Cb -0.13 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 36.06 1wtj s VAL 182 CO 0.17 0.09 -0.10 0.72 0.00 0.00 0.00 175.10 175.98 1wtj s PHE 183 N 0.71 1.09 -0.21 5.22 -0.12 -0.55 -3.30 117.98 120.82 1wtj s PHE 183 Ca -0.07 -0.66 -0.04 0.00 -0.05 0.00 0.00 56.93 56.11 1wtj s PHE 183 Cb -0.09 -0.59 0.10 0.00 -0.63 0.00 0.00 43.02 41.81 1wtj s PHE 183 CO -0.02 0.01 0.30 0.34 -0.05 0.00 0.00 175.22 175.80 1wtj s ASP 184 N -2.51 0.67 -0.01 1.98 2.15 -1.26 -1.28 116.67 116.41 1wtj s ASP 184 Ca 0.07 0.16 0.03 0.00 0.43 0.00 0.00 52.55 53.24 1wtj s ASP 184 Cb -0.02 0.78 -0.01 0.00 -0.30 0.00 0.00 42.92 43.37 1wtj s ASP 184 CO 0.00 -0.30 -0.10 -1.48 -0.17 0.00 0.00 175.17 173.13 1wtj s LEU 185 N 2.44 1.97 0.44 -1.34 0.05 -0.13 -4.98 118.68 117.13 1wtj s LEU 185 Ca 0.08 -0.18 -0.21 0.00 0.05 0.00 0.00 54.13 53.86 1wtj s LEU 185 Cb -0.15 -0.52 -0.10 0.00 -2.05 0.00 0.00 46.19 43.37 1wtj s LEU 185 CO -0.13 0.11 0.98 0.00 -0.55 0.00 0.00 176.35 176.76 1wtj s ALA 186 N -0.14 3.00 -1.77 1.48 0.00 -1.26 -0.75 121.76 122.33 1wtj s ALA 186 Ca 0.02 0.50 0.28 0.00 0.00 0.00 0.00 51.96 52.76 1wtj s ALA 186 Cb -0.05 -3.19 1.09 0.00 0.00 0.00 0.00 23.12 20.97 1wtj s ALA 186 CO -0.00 -0.03 1.77 0.25 0.00 0.00 0.00 175.76 177.75 1wtj n THR 187 N -0.61 0.00 -2.09 0.00 -2.24 -0.12 -4.80 114.28 104.42 1wtj n THR 187 Ca 0.07 -0.10 -0.30 0.00 -2.27 0.00 0.00 64.05 61.46 1wtj n THR 187 Cb 0.53 0.10 0.01 0.00 -2.10 0.00 0.00 70.33 68.87 1wtj n THR 187 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1wtj s SER 188 N -2.42 6.17 0.50 3.42 1.04 -1.18 -1.03 113.70 120.20 1wtj s SER 188 Ca 0.29 1.25 0.23 0.00 0.48 0.00 0.00 55.95 58.20 1wtj s SER 188 Cb 0.20 -2.35 1.31 0.00 0.10 0.00 0.00 66.02 65.28 1wtj s SER 188 CO 0.47 -0.83 2.05 0.00 0.98 0.00 0.00 173.24 175.91 1wtj h ALA 189 N -0.19 1.43 -2.63 5.32 0.00 -0.85 -3.37 119.26 118.97 1wtj h ALA 189 Ca -0.45 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.20 1wtj h ALA 189 Cb 1.20 -0.02 -0.20 0.00 0.00 0.00 0.00 17.79 18.77 1wtj h ALA 189 CO 0.62 0.18 -0.39 -1.50 0.00 0.00 0.00 179.25 178.15 1wtj s ILE 190 N -4.36 0.08 0.40 0.00 2.07 -1.26 -4.90 121.20 113.22 1wtj s ILE 190 Ca -0.03 -0.63 -0.24 0.00 -1.41 0.00 0.00 60.65 58.34 1wtj s ILE 190 Cb 0.14 -0.56 -0.09 0.00 0.13 0.00 0.00 42.46 42.08 1wtj s ILE 190 CO 0.62 -0.35 1.07 0.00 -1.91 0.00 0.00 174.94 174.38 1wtj s ALA 191 N -1.50 3.09 0.26 1.50 0.00 -1.26 -4.94 121.76 118.90 1wtj s ALA 191 Ca -0.13 0.76 -0.05 0.00 0.00 0.00 0.00 51.96 52.54 1wtj s ALA 191 Cb -0.06 -3.30 0.32 0.00 0.00 0.00 0.00 23.12 20.09 1wtj s ALA 191 CO 0.02 -0.29 1.91 1.25 0.00 0.00 0.00 175.76 178.65 1wtj h HIS 192 N 2.52 1.23 -0.56 0.00 2.76 -1.99 -2.03 115.15 117.09 1wtj h HIS 192 Ca -0.48 0.03 0.04 0.00 -2.20 0.00 0.00 60.37 57.76 1wtj h HIS 192 Cb 1.22 -0.41 -0.03 0.00 1.55 0.00 0.00 27.41 29.74 1wtj h HIS 192 CO 0.57 0.71 0.37 0.78 -1.30 0.00 0.00 177.93 179.07 1wtj h GLY 193 N 1.27 0.71 2.00 5.26 0.00 -1.96 -1.54 103.07 108.81 1wtj h GLY 193 Ca 0.40 -0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.45 1wtj h GLY 193 CO -0.12 0.20 -0.20 -0.55 0.00 0.00 0.00 176.54 175.87 1wtj h ASP 194 N 0.60 0.00 -0.16 0.19 3.32 -1.75 -2.73 116.42 115.88 1wtj h ASP 194 Ca 0.23 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 57.07 1wtj h ASP 194 Cb 0.16 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.72 1wtj h ASP 194 CO -0.06 0.20 -0.71 0.58 -1.72 0.00 0.00 179.24 177.52 1wtj h VAL 195 N 0.00 1.28 -0.54 -1.35 2.07 -1.18 -2.16 116.25 114.37 1wtj h VAL 195 Ca -0.00 -1.91 -0.09 0.00 0.82 0.00 0.00 66.70 65.51 1wtj h VAL 195 Cb 0.77 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.41 1wtj h VAL 195 CO 0.03 0.61 -0.04 1.56 0.02 0.00 0.00 177.57 179.75 1wtj h GLN 196 N 0.56 0.95 -0.09 1.57 4.20 -1.39 -1.78 115.11 119.13 1wtj h GLN 196 Ca -0.03 -0.30 -0.00 0.00 0.06 0.00 0.00 58.65 58.37 1wtj h GLN 196 Cb 1.33 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 29.02 1wtj h GLN 196 CO 0.15 0.96 0.05 0.82 -0.67 0.00 0.00 178.83 180.14 1wtj h ILE 197 N 0.87 1.09 -0.60 2.54 2.04 -1.42 -0.54 117.51 121.48 1wtj h ILE 197 Ca 0.15 -0.25 0.03 0.00 1.00 0.00 0.00 64.86 65.79 1wtj h ILE 197 Cb 0.56 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 1wtj h ILE 197 CO 0.03 0.08 0.40 0.00 0.00 0.00 0.00 178.15 178.66 1wtj h ALA 198 N 0.95 1.69 0.24 1.87 0.00 -1.23 0.34 119.26 123.12 1wtj h ALA 198 Ca 0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1wtj h ALA 198 Cb 0.08 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1wtj h ALA 198 CO -0.01 0.25 -0.12 0.00 0.00 0.00 0.00 179.25 179.37 1wtj h ALA 199 N 1.65 -0.33 -0.55 0.00 0.00 -0.70 0.43 119.26 119.76 1wtj h ALA 199 Ca 0.24 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1wtj h ALA 199 Cb 0.09 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1wtj h ALA 199 CO -0.07 -0.58 0.35 0.00 0.00 0.00 0.00 179.25 178.95 1wtj h ARG 200 N -0.53 0.74 0.00 0.00 3.08 -0.59 -2.10 114.38 114.98 1wtj h ARG 200 Ca -0.03 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1wtj h ARG 200 Cb 0.39 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1wtj h ARG 200 CO 0.05 0.52 0.00 0.39 -1.07 0.00 0.00 179.97 179.86 1wtj n GLU 201 N -4.67 0.95 -3.59 0.04 1.02 0.06 -4.89 120.64 109.56 1wtj n GLU 201 Ca 0.03 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.94 1wtj n GLU 201 Cb 0.04 -1.37 0.08 0.00 -0.02 0.00 0.00 31.44 30.16 1wtj n GLU 201 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wtj n GLY 202 N 0.79 -0.49 3.67 0.62 0.00 -0.56 -5.00 105.19 104.22 1wtj n GLY 202 Ca 0.17 0.21 -0.32 0.00 0.00 0.00 0.00 46.02 46.08 1wtj n GLY 202 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wtj s ARG 203 N -6.12 2.71 0.34 1.61 1.81 0.14 -5.03 118.95 114.41 1wtj s ARG 203 Ca 0.44 -0.66 -0.06 0.00 -1.72 0.00 0.00 55.73 53.73 1wtj s ARG 203 Cb -0.20 -2.62 -0.05 0.00 -0.45 0.00 0.00 34.95 31.63 1wtj s ARG 203 CO 0.74 0.61 0.63 -0.51 -0.68 0.00 0.00 175.30 176.09 1wtj s LEU 204 N -1.64 3.96 0.13 2.53 1.43 -1.26 -4.48 118.68 119.34 1wtj s LEU 204 Ca 0.20 0.84 0.02 0.00 -1.03 0.00 0.00 54.13 54.16 1wtj s LEU 204 Cb -0.11 -3.69 -0.04 0.00 0.03 0.00 0.00 46.19 42.38 1wtj s LEU 204 CO 0.11 -0.29 0.25 -0.76 0.23 0.00 0.00 176.35 175.89 1wtj s LEU 205 N -3.77 4.30 0.92 1.79 1.43 0.40 -5.02 118.68 118.72 1wtj s LEU 205 Ca 0.46 0.17 -0.11 0.00 -1.03 0.00 0.00 54.13 53.62 1wtj s LEU 205 Cb -0.10 -2.88 0.14 0.00 0.03 0.00 0.00 46.19 43.38 1wtj s LEU 205 CO 0.32 0.08 1.10 -2.16 0.23 0.00 0.00 176.35 175.92 1wtj s PRO 206 N -3.05 1.07 0.66 1.29 0.04 -1.26 -4.66 135.00 129.10 1wtj s PRO 206 Ca 0.34 1.10 -0.17 0.00 0.04 0.00 0.00 61.00 62.31 1wtj s PRO 206 Cb -0.11 -1.77 -0.00 0.00 0.04 0.00 0.00 34.50 32.66 1wtj s PRO 206 CO 0.28 -2.45 1.25 0.00 0.04 0.00 0.00 177.00 176.12 1wtj s ALA 207 N -2.78 2.34 0.00 8.56 0.00 -1.26 -3.78 121.76 124.83 1wtj s ALA 207 Ca 0.65 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.67 1wtj s ALA 207 Cb -0.20 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.41 1wtj s ALA 207 CO 0.58 -1.58 0.00 0.41 0.00 0.00 0.00 175.76 175.17 1wtj n GLY 208 N 0.66 0.75 0.11 0.00 0.00 -1.26 -4.95 105.19 100.49 1wtj n GLY 208 Ca 0.15 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.01 1wtj n GLY 208 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1wtj h MET 209 N 2.98 0.19 0.00 1.61 2.07 -1.84 -3.43 114.93 116.52 1wtj h MET 209 Ca 0.00 -0.33 0.05 0.00 -2.07 0.00 0.00 59.70 57.35 1wtj h MET 209 Cb 0.00 0.12 -0.01 0.00 -1.87 0.00 0.00 31.60 29.84 1wtj h MET 209 CO 0.00 1.02 0.25 0.41 1.07 0.00 0.00 176.91 179.66 1wtj n GLY 210 N 1.66 1.10 3.24 8.32 0.00 -1.26 -1.51 105.19 116.73 1wtj n GLY 210 Ca -0.17 -1.06 -0.14 0.00 0.00 0.00 0.00 46.02 44.66 1wtj n GLY 210 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wtj s VAL 211 N -2.38 0.87 0.41 1.61 -7.23 0.17 -2.57 120.40 111.28 1wtj s VAL 211 Ca 0.10 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.23 1wtj s VAL 211 Cb -0.02 -1.99 0.09 0.00 0.56 0.00 0.00 36.38 35.02 1wtj s VAL 211 CO 0.04 -0.61 0.55 -0.90 -0.31 0.00 0.00 175.10 173.87 1wtj n ASP 212 N -0.22 0.32 0.26 4.85 5.68 -0.01 -1.39 116.55 126.05 1wtj n ASP 212 Ca -0.08 -1.37 0.18 0.00 -0.50 0.00 0.00 54.79 53.01 1wtj n ASP 212 Cb 0.62 -0.40 0.91 0.00 -1.14 0.00 0.00 41.12 41.11 1wtj n ASP 212 CO 0.00 0.00 0.00 0.08 -1.33 0.00 0.00 177.20 175.95 1wtj h ARG 213 N 0.00 0.00 -0.25 0.11 0.11 -1.72 -0.61 114.38 112.01 1wtj h ARG 213 Ca -0.18 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.90 1wtj h ARG 213 Cb 0.57 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.65 1wtj h ARG 213 CO 0.15 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 179.97 1wtj n ASP 214 N -2.75 2.84 0.00 0.08 8.00 -1.26 -4.91 116.55 118.55 1wtj n ASP 214 Ca -0.02 -1.90 0.00 0.00 0.71 0.00 0.00 54.79 53.58 1wtj n ASP 214 Cb 0.09 -0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.04 1wtj n ASP 214 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wtj n GLY 215 N 1.37 0.69 3.82 0.44 0.00 -0.24 -5.04 105.19 106.24 1wtj n GLY 215 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1wtj n GLY 215 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wtj s LEU 216 N 0.00 4.44 0.38 0.99 1.43 -1.26 -4.74 118.68 119.91 1wtj s LEU 216 Ca 0.00 1.23 -0.27 0.00 -1.03 0.00 0.00 54.13 54.07 1wtj s LEU 216 Cb 0.00 -3.14 -0.11 0.00 0.03 0.00 0.00 46.19 42.97 1wtj s LEU 216 CO 0.00 0.18 1.24 -2.65 0.23 0.00 0.00 176.35 175.35 1wtj n PRO 217 N 1.25 1.93 -3.79 1.29 -0.02 -1.26 -0.83 135.00 133.57 1wtj n PRO 217 Ca -0.07 0.68 -0.10 0.00 -2.02 0.00 0.00 63.50 61.98 1wtj n PRO 217 Cb 0.51 -2.30 -0.07 0.00 -0.02 0.00 0.00 33.50 31.62 1wtj n PRO 217 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1wtj s THR 218 N -1.15 0.10 -0.58 3.45 -1.32 -1.06 -4.77 115.64 110.31 1wtj s THR 218 Ca 0.59 -0.84 0.07 0.00 -1.21 0.00 0.00 61.69 60.30 1wtj s THR 218 Cb -0.55 -1.05 -0.02 0.00 -1.51 0.00 0.00 72.50 69.38 1wtj s THR 218 CO 0.60 -0.46 0.47 0.00 -2.21 0.00 0.00 174.62 173.02 1wtj n GLN 219 N 0.38 2.81 -2.70 7.08 6.02 -1.26 -4.34 117.38 125.38 1wtj n GLN 219 Ca -0.18 -0.40 -0.43 0.00 -0.01 0.00 0.00 57.00 55.99 1wtj n GLN 219 Cb 0.60 -0.95 -0.03 0.00 1.02 0.00 0.00 30.24 30.88 1wtj n GLN 219 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1wtj s GLU 220 N -1.22 3.61 0.54 -1.09 0.41 -1.26 -0.45 118.70 119.24 1wtj s GLU 220 Ca 0.05 0.34 0.21 0.00 -0.41 0.00 0.00 54.97 55.16 1wtj s GLU 220 Cb 0.06 -3.93 1.42 0.00 -1.78 0.00 0.00 34.13 29.89 1wtj s GLU 220 CO 0.20 -1.35 2.13 -1.00 -0.49 0.00 0.00 175.26 174.75 1wtj h PRO 221 N 9.21 0.00 -0.24 0.39 0.13 -1.88 -0.85 132.00 138.75 1wtj h PRO 221 Ca -0.24 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.78 1wtj h PRO 221 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 1wtj h PRO 221 CO 1.09 0.00 -0.32 0.00 -0.23 0.00 0.00 178.00 178.54 1wtj h ARG 222 N 0.00 0.50 -0.44 0.86 3.08 -1.91 -1.78 114.38 114.70 1wtj h ARG 222 Ca 0.06 -0.22 -0.11 0.00 0.07 0.00 0.00 59.98 59.78 1wtj h ARG 222 Cb 0.25 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 1wtj h ARG 222 CO -0.00 0.77 -0.18 0.00 -1.07 0.00 0.00 179.97 179.48 1wtj h ALA 223 N 1.22 0.86 -0.43 0.04 0.00 -1.52 0.17 119.26 119.59 1wtj h ALA 223 Ca 0.05 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 1wtj h ALA 223 Cb 0.78 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1wtj h ALA 223 CO 0.06 0.64 -0.03 0.82 0.00 0.00 0.00 179.25 180.75 1wtj h ILE 224 N 0.74 1.27 -0.08 0.00 2.04 -1.25 -3.01 117.51 117.22 1wtj h ILE 224 Ca 0.11 -1.08 -0.13 0.00 1.00 0.00 0.00 64.86 64.76 1wtj h ILE 224 Cb 0.71 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 1wtj h ILE 224 CO 0.05 0.37 -0.52 -0.07 0.00 0.00 0.00 178.15 177.98 1wtj h LEU 225 N 0.62 0.23 -5.52 1.44 3.38 -1.12 -0.22 115.31 114.12 1wtj h LEU 225 Ca 0.12 -0.12 -0.71 0.00 0.09 0.00 0.00 57.88 57.26 1wtj h LEU 225 Cb 0.53 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 1wtj h LEU 225 CO 0.03 0.71 3.06 -0.67 0.09 0.00 0.00 178.44 181.66 1wtj n ASP 226 N -3.93 7.44 0.00 -0.43 2.03 0.57 -4.42 116.55 117.80 1wtj n ASP 226 Ca -0.02 -2.86 0.00 0.00 0.52 0.00 0.00 54.79 52.43 1wtj n ASP 226 Cb 0.55 -1.50 0.00 0.00 -0.72 0.00 0.00 41.12 39.46 1wtj n ASP 226 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wtj n GLY 227 N 2.93 0.76 0.00 0.27 0.00 -1.26 -4.42 105.19 103.48 1wtj n GLY 227 Ca 0.65 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.67 1wtj n GLY 227 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wtj n GLY 228 N -2.32 -0.03 3.73 -0.02 0.00 -0.09 -3.85 105.19 102.61 1wtj n GLY 228 Ca 0.00 -1.75 -0.08 0.00 0.00 0.00 0.00 46.02 44.19 1wtj n GLY 228 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wtj s ALA 229 N -3.44 -0.83 0.23 4.61 0.00 -0.48 -4.82 121.76 117.03 1wtj s ALA 229 Ca 0.00 -0.52 0.06 0.00 0.00 0.00 0.00 51.96 51.50 1wtj s ALA 229 Cb 0.00 0.94 -0.03 0.00 0.00 0.00 0.00 23.12 24.02 1wtj s ALA 229 CO 0.00 -0.95 0.25 -0.51 0.00 0.00 0.00 175.76 174.55 1wtj s LEU 230 N -2.95 4.03 0.17 0.00 1.43 0.16 -0.66 118.68 120.85 1wtj s LEU 230 Ca 0.15 -0.10 0.06 0.00 -1.03 0.00 0.00 54.13 53.21 1wtj s LEU 230 Cb -0.04 -2.57 -0.04 0.00 0.03 0.00 0.00 46.19 43.57 1wtj s LEU 230 CO 0.07 -0.03 0.08 -0.76 0.23 0.00 0.00 176.35 175.94 1wtj s LEU 231 N -3.77 3.61 0.41 1.79 1.43 -0.57 -1.17 118.68 120.41 1wtj s LEU 231 Ca 0.33 -0.24 -0.23 0.00 -1.03 0.00 0.00 54.13 52.96 1wtj s LEU 231 Cb -0.09 -2.23 -0.09 0.00 0.03 0.00 0.00 46.19 43.81 1wtj s LEU 231 CO 0.26 0.07 1.04 -2.16 0.23 0.00 0.00 176.35 175.80 1wtj s PRO 232 N -3.05 4.12 0.39 1.29 0.04 -1.26 -0.28 135.00 136.24 1wtj s PRO 232 Ca 0.30 1.48 -0.25 0.00 0.04 0.00 0.00 61.00 62.56 1wtj s PRO 232 Cb -0.10 -2.47 -0.09 0.00 0.04 0.00 0.00 34.50 31.89 1wtj s PRO 232 CO 0.21 -0.18 1.12 -0.59 0.04 0.00 0.00 177.00 177.61 1wtj s PHE 233 N -1.72 3.19 -1.59 0.56 -0.12 -0.19 -3.26 117.98 114.86 1wtj s PHE 233 Ca 0.59 1.60 0.00 0.00 -0.05 0.00 0.00 56.93 59.07 1wtj s PHE 233 Cb -0.21 -3.29 0.00 0.00 -0.63 0.00 0.00 43.02 38.89 1wtj s PHE 233 CO 0.26 -1.00 0.00 0.41 -0.05 0.00 0.00 175.22 174.85 1wtj n GLY 234 N 0.61 -0.19 7.00 1.99 0.00 -1.26 -1.47 105.19 111.86 1wtj n GLY 234 Ca 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1wtj n GLY 234 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wtj n GLY 235 N -0.99 3.42 0.27 -0.02 0.00 -1.20 -2.05 105.19 104.62 1wtj n GLY 235 Ca -0.21 0.07 0.10 0.00 0.00 0.00 0.00 46.02 45.97 1wtj n GLY 235 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1wtj h HIS 236 N 0.00 0.00 0.02 1.61 2.07 -1.91 -1.69 115.15 115.25 1wtj h HIS 236 Ca 0.00 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1wtj h HIS 236 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 1wtj h HIS 236 CO 0.00 0.01 -0.01 0.87 -3.07 0.00 0.00 177.93 175.73 1wtj h LYS 237 N 0.00 -0.03 -0.19 5.12 1.57 -1.67 -1.22 116.57 120.15 1wtj h LYS 237 Ca -0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1wtj h LYS 237 Cb 0.03 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1wtj h LYS 237 CO 0.00 0.48 -0.14 0.78 -0.57 0.00 0.00 179.45 179.99 1wtj h GLY 238 N -0.56 0.33 1.00 3.86 0.00 -1.10 -2.00 103.07 104.60 1wtj h GLY 238 Ca -0.00 -0.22 -0.05 0.00 0.00 0.00 0.00 47.33 47.06 1wtj h GLY 238 CO 0.01 0.20 0.15 0.23 0.00 0.00 0.00 176.54 177.13 1wtj h SER 239 N 0.29 0.83 -0.66 0.19 0.87 -1.25 0.32 113.55 114.13 1wtj h SER 239 Ca 0.06 -0.22 -0.05 0.00 -1.23 0.00 0.00 61.79 60.35 1wtj h SER 239 Cb 0.43 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.15 1wtj h SER 239 CO 0.03 0.83 0.24 0.00 -0.53 0.00 0.00 176.83 177.40 1wtj h ALA 240 N 1.02 0.87 -0.38 6.23 0.00 -0.79 -0.93 119.26 125.28 1wtj h ALA 240 Ca 0.18 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1wtj h ALA 240 Cb 0.32 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1wtj h ALA 240 CO -0.00 0.51 -0.07 -0.07 0.00 0.00 0.00 179.25 179.62 1wtj h LEU 241 N 0.95 0.62 -0.58 0.00 3.38 -1.09 -1.23 115.31 117.36 1wtj h LEU 241 Ca 0.22 -0.16 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 1wtj h LEU 241 Cb 0.25 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1wtj h LEU 241 CO -0.01 0.74 -0.06 -1.28 0.09 0.00 0.00 178.44 177.92 1wtj h SER 242 N 0.60 1.06 -0.78 -0.43 0.87 -0.43 -1.14 113.55 113.30 1wtj h SER 242 Ca 0.11 -0.33 -0.02 0.00 -1.23 0.00 0.00 61.79 60.32 1wtj h SER 242 Cb 0.49 -0.29 -0.04 0.00 -0.44 0.00 0.00 62.40 62.12 1wtj h SER 242 CO 0.03 1.13 0.41 -0.03 -0.53 0.00 0.00 176.83 177.84 1wtj h MET 243 N 0.96 1.09 -0.79 2.24 1.85 -0.80 -1.57 114.93 117.90 1wtj h MET 243 Ca 0.16 -0.14 0.02 0.00 -0.61 0.00 0.00 59.70 59.13 1wtj h MET 243 Cb 0.63 -0.21 -0.04 0.00 0.43 0.00 0.00 31.60 32.41 1wtj h MET 243 CO 0.04 0.82 0.52 1.98 -0.40 0.00 0.00 176.91 179.86 1wtj h MET 244 N 1.08 1.00 -0.83 0.39 -1.53 -0.73 -1.07 114.93 113.24 1wtj h MET 244 Ca 0.27 -0.06 -0.02 0.00 -3.44 0.00 0.00 59.70 56.46 1wtj h MET 244 Cb 0.05 -0.23 -0.04 0.00 -0.55 0.00 0.00 31.60 30.84 1wtj h MET 244 CO -0.04 0.66 0.46 0.28 0.14 0.00 0.00 176.91 178.41 1wtj h VAL 245 N 1.03 1.24 -0.24 -5.77 2.07 -0.40 0.14 116.25 114.33 1wtj h VAL 245 Ca 0.30 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1wtj h VAL 245 Cb -0.07 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 29.82 1wtj h VAL 245 CO -0.08 0.27 0.15 -0.33 0.02 0.00 0.00 177.57 177.60 1wtj h GLU 246 N 1.15 0.32 -0.51 1.57 4.39 -0.69 0.42 114.58 121.24 1wtj h GLU 246 Ca 0.29 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.90 1wtj h GLU 246 Cb 0.03 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 1wtj h GLU 246 CO -0.05 0.24 0.05 -0.07 -1.16 0.00 0.00 179.01 178.02 1wtj h LEU 247 N 0.31 0.78 0.16 1.33 3.38 -0.60 -1.52 115.31 119.16 1wtj h LEU 247 Ca 0.09 -0.17 -0.32 0.00 0.09 0.00 0.00 57.88 57.56 1wtj h LEU 247 Cb -0.01 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 40.54 1wtj h LEU 247 CO -0.02 0.82 -1.61 -0.07 0.09 0.00 0.00 178.44 177.66 1wtj h LEU 248 N 0.78 0.54 0.00 1.67 3.38 -0.59 0.60 115.31 121.70 1wtj h LEU 248 Ca 0.16 -0.91 0.00 0.00 0.09 0.00 0.00 57.88 57.22 1wtj h LEU 248 Cb 0.40 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1wtj h LEU 248 CO 0.01 1.72 -0.40 0.00 0.09 0.00 0.00 178.44 179.87 1wtj h ALA 249 N 0.06 0.78 0.00 1.53 0.00 -1.00 -3.33 119.26 117.29 1wtj h ALA 249 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1wtj h ALA 249 Cb 1.98 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.77 1wtj h ALA 249 CO 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 179.25 179.08 1wtj n ALA 250 N -2.01 3.00 -0.20 0.00 0.00 -0.73 -3.39 120.51 117.17 1wtj n ALA 250 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.46 1wtj n ALA 250 Cb 0.50 0.30 0.10 0.00 0.00 0.00 0.00 19.45 20.35 1wtj n ALA 250 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1wtj h GLY 251 N 0.00 0.87 1.43 0.00 0.00 -0.90 -0.19 103.07 104.28 1wtj h GLY 251 Ca 0.00 -0.16 -0.31 0.00 0.00 0.00 0.00 47.33 46.86 1wtj h GLY 251 CO 0.00 0.04 -1.38 -2.00 0.00 0.00 0.00 176.54 173.20 1wtj h LEU 252 N 0.49 0.65 -0.33 3.11 6.46 -1.02 -3.36 115.31 121.31 1wtj h LEU 252 Ca 0.29 -0.70 -0.19 0.00 -0.12 0.00 0.00 57.88 57.16 1wtj h LEU 252 Cb 0.30 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.01 1wtj h LEU 252 CO -0.25 1.55 -0.82 0.71 -0.62 0.00 0.00 178.44 179.00 1wtj h THR 253 N 0.11 1.43 0.00 1.05 1.35 -1.64 -3.47 112.91 111.74 1wtj h THR 253 Ca -0.20 -2.38 0.00 0.00 -0.55 0.00 0.00 66.41 63.28 1wtj h THR 253 Cb 2.08 2.31 0.00 0.00 -1.73 0.00 0.00 68.15 70.81 1wtj h THR 253 CO 0.24 0.70 0.00 0.61 -0.25 0.00 0.00 175.52 176.83 1wtj n GLY 254 N 0.74 0.65 3.92 5.82 0.00 -0.10 -4.57 105.19 111.65 1wtj n GLY 254 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 1wtj n GLY 254 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wtj s GLY 255 N -0.88 1.71 0.40 -0.02 0.00 -1.10 -4.82 107.32 102.62 1wtj s GLY 255 Ca 0.00 -1.03 -0.25 0.00 0.00 0.00 0.00 44.72 43.44 1wtj s GLY 255 CO 0.00 -0.38 1.15 -1.31 0.00 0.00 0.00 173.10 172.56 1wtj s ASN 256 N -4.76 6.55 0.87 1.64 0.01 -1.26 -4.52 114.94 113.47 1wtj s ASN 256 Ca 0.69 2.31 -0.12 0.00 -0.71 0.00 0.00 52.86 55.03 1wtj s ASN 256 Cb -0.07 -2.61 0.11 0.00 0.41 0.00 0.00 41.25 39.09 1wtj s ASN 256 CO 0.51 -0.66 1.10 -0.36 -1.51 0.00 0.00 177.10 176.18 1wtj s PHE 257 N -1.44 2.54 0.38 2.20 0.08 -1.26 -4.62 117.98 115.85 1wtj s PHE 257 Ca 0.57 1.13 0.35 0.00 0.12 0.00 0.00 56.93 59.10 1wtj s PHE 257 Cb -0.30 -3.19 1.91 0.00 -0.57 0.00 0.00 43.02 40.88 1wtj s PHE 257 CO 0.37 -2.18 2.07 0.77 -0.10 0.00 0.00 175.22 176.15 1wtj h SER 258 N -1.39 0.00 -0.42 1.36 0.02 -1.84 -1.33 113.55 109.95 1wtj h SER 258 Ca -0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1wtj h SER 258 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 1wtj h SER 258 CO 0.58 0.00 0.00 2.22 -1.14 0.00 0.00 176.83 178.49 1wtj n PHE 259 N -2.77 0.56 -1.22 3.45 1.16 -1.26 -1.83 117.46 115.56 1wtj n PHE 259 Ca -0.02 -0.42 -0.20 0.00 -1.87 0.00 0.00 57.45 54.93 1wtj n PHE 259 Cb 0.10 -0.01 0.20 0.00 -1.61 0.00 0.00 39.48 38.15 1wtj n PHE 259 CO 0.00 0.00 0.00 0.39 -1.87 0.00 0.00 176.76 175.28 1wtj n GLU 260 N 0.93 2.44 -3.56 3.97 1.02 -0.50 -4.92 120.64 120.02 1wtj n GLU 260 Ca 0.15 -3.03 -0.08 0.00 -0.02 0.00 0.00 57.16 54.19 1wtj n GLU 260 Cb 0.48 -2.17 -0.02 0.00 -0.02 0.00 0.00 31.44 29.72 1wtj n GLU 260 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 1wtj s PHE 261 N -3.26 -0.31 0.25 -0.32 -0.12 -1.26 -4.87 117.98 108.10 1wtj s PHE 261 Ca 0.56 0.12 -0.15 0.00 -0.05 0.00 0.00 56.93 57.41 1wtj s PHE 261 Cb 0.47 0.57 0.00 0.00 -0.63 0.00 0.00 43.02 43.43 1wtj s PHE 261 CO 0.11 -0.67 0.54 0.16 -0.05 0.00 0.00 175.22 175.31 1wtj s ASP 262 N -2.63 -0.14 -0.08 1.98 1.47 -1.26 -4.98 116.67 111.03 1wtj s ASP 262 Ca 0.06 -0.84 0.18 0.00 1.18 0.00 0.00 52.55 53.13 1wtj s ASP 262 Cb -0.01 0.62 0.62 0.00 -0.34 0.00 0.00 42.92 43.81 1wtj s ASP 262 CO -0.06 -1.19 1.53 0.79 0.68 0.00 0.00 175.17 176.91 1wtj n TRP 263 N -0.40 1.16 0.22 2.11 8.01 -1.26 -4.65 117.44 122.63 1wtj n TRP 263 Ca -0.02 -0.59 0.15 0.00 -1.31 0.00 0.00 57.50 55.72 1wtj n TRP 263 Cb 0.61 -0.16 0.80 0.00 -2.01 0.00 0.00 31.31 30.55 1wtj n TRP 263 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 1wtj h SER 264 N 3.57 0.00 -0.05 -0.99 4.64 -2.00 -2.23 113.55 116.48 1wtj h SER 264 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1wtj h SER 264 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1wtj h SER 264 CO 0.14 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.39 1wtj n LYS 265 N -2.53 0.79 -3.71 4.77 5.02 -1.26 -4.89 118.16 116.35 1wtj n LYS 265 Ca -0.02 -1.11 -0.29 0.00 -2.02 0.00 0.00 58.31 54.87 1wtj n LYS 265 Cb 0.05 -1.10 -0.13 0.00 -0.02 0.00 0.00 35.03 33.83 1wtj n LYS 265 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1wtj s HIS 266 N -0.60 2.01 0.20 2.13 3.76 -0.84 -5.10 115.29 116.84 1wtj s HIS 266 Ca 0.07 -2.44 -0.33 0.00 -0.15 0.00 0.00 55.06 52.21 1wtj s HIS 266 Cb 0.04 -1.90 -0.14 0.00 1.11 0.00 0.00 32.58 31.69 1wtj s HIS 266 CO 0.06 -0.78 1.42 -2.30 -0.85 0.00 0.00 174.74 172.29 1wtj n PRO 267 N 3.52 1.88 -0.51 8.40 -0.02 -1.26 -1.72 135.00 145.28 1wtj n PRO 267 Ca 0.09 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 1wtj n PRO 267 Cb 0.35 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 1wtj n PRO 267 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wtj n GLY 268 N 2.50 1.34 3.75 -1.23 0.00 -1.26 -4.68 105.19 105.61 1wtj n GLY 268 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1wtj n GLY 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wtj s ALA 269 N -3.27 3.67 0.00 4.61 0.00 -0.70 -3.47 121.76 122.60 1wtj s ALA 269 Ca 0.00 1.48 0.00 0.00 0.00 0.00 0.00 51.96 53.44 1wtj s ALA 269 Cb 0.00 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.51 1wtj s ALA 269 CO 0.00 -0.90 0.09 1.04 0.00 0.00 0.00 175.76 175.99 1wtj n GLN 270 N 1.93 0.62 -4.15 0.00 1.13 -1.26 -4.95 117.38 110.69 1wtj n GLN 270 Ca 0.06 -0.09 -0.33 0.00 -1.94 0.00 0.00 57.00 54.70 1wtj n GLN 270 Cb 0.39 -0.46 -0.08 0.00 0.11 0.00 0.00 30.24 30.21 1wtj n GLN 270 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1wtj s THR 271 N -0.11 4.54 0.30 5.09 -4.23 -1.26 -5.07 115.64 114.89 1wtj s THR 271 Ca 0.00 -0.49 -0.26 0.00 -1.18 0.00 0.00 61.69 59.76 1wtj s THR 271 Cb 0.00 -3.06 -0.10 0.00 1.34 0.00 0.00 72.50 70.68 1wtj s THR 271 CO 0.00 0.35 0.93 -2.16 -0.54 0.00 0.00 174.62 173.19 1wtj s PRO 272 N -1.71 4.61 -0.65 3.99 0.04 -1.26 -4.99 135.00 135.02 1wtj s PRO 272 Ca 0.22 1.33 -0.04 0.00 0.04 0.00 0.00 61.00 62.55 1wtj s PRO 272 Cb -0.12 -2.90 0.17 0.00 0.04 0.00 0.00 34.50 31.69 1wtj s PRO 272 CO 0.13 0.33 0.48 -0.46 0.04 0.00 0.00 177.00 177.53 1wtj s TRP 273 N -1.53 3.44 0.00 0.56 -0.00 -1.26 -3.81 118.94 116.34 1wtj s TRP 273 Ca 0.48 -2.66 0.00 0.00 -0.00 0.00 0.00 56.10 53.92 1wtj s TRP 273 Cb -0.20 -3.26 0.00 0.00 -0.00 0.00 0.00 33.47 30.01 1wtj s TRP 273 CO 0.25 -0.85 0.00 0.25 -0.00 0.00 0.00 176.95 176.60 1wtj n THR 274 N 3.49 0.00 -3.66 5.86 -2.24 0.02 -4.32 114.28 113.42 1wtj n THR 274 Ca 0.09 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.86 1wtj n THR 274 Cb 0.39 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.62 1wtj n THR 274 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wtj n GLY 275 N 1.70 0.92 3.52 3.38 0.00 -1.26 -1.28 105.19 112.17 1wtj n GLY 275 Ca 0.00 -0.96 -0.13 0.00 0.00 0.00 0.00 46.02 44.93 1wtj n GLY 275 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1wtj s GLN 276 N -2.01 0.71 -0.05 1.61 0.74 -0.14 -4.13 119.66 116.40 1wtj s GLN 276 Ca 0.07 0.87 0.05 0.00 0.05 0.00 0.00 55.36 56.40 1wtj s GLN 276 Cb -0.01 0.34 -0.02 0.00 1.10 0.00 0.00 33.01 34.42 1wtj s GLN 276 CO 0.01 -0.09 -0.18 -1.17 -0.55 0.00 0.00 175.29 173.31 1wtj s LEU 277 N 0.39 2.52 -0.03 3.68 2.96 -0.55 -0.45 118.68 127.20 1wtj s LEU 277 Ca -0.01 -0.29 0.02 0.00 -0.22 0.00 0.00 54.13 53.63 1wtj s LEU 277 Cb -0.04 -1.49 0.01 0.00 0.50 0.00 0.00 46.19 45.16 1wtj s LEU 277 CO -0.00 0.32 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.52 1wtj s LEU 278 N -0.61 1.62 -0.18 -0.68 1.02 -0.38 -1.57 118.68 117.90 1wtj s LEU 278 Ca 0.09 -0.16 0.01 0.00 0.02 0.00 0.00 54.13 54.09 1wtj s LEU 278 Cb -0.11 -0.49 0.02 0.00 0.02 0.00 0.00 46.19 45.63 1wtj s LEU 278 CO 0.01 0.02 -0.20 -0.63 0.02 0.00 0.00 176.35 175.56 1wtj s ILE 279 N 0.47 2.08 -0.12 -0.59 1.01 0.26 -0.86 121.20 123.46 1wtj s ILE 279 Ca -0.07 -0.93 0.02 0.00 0.00 0.00 0.00 60.65 59.66 1wtj s ILE 279 Cb -0.11 -1.87 -0.01 0.00 0.01 0.00 0.00 42.46 40.48 1wtj s ILE 279 CO 0.01 0.54 -0.18 -0.69 0.00 0.00 0.00 174.94 174.62 1wtj s VAL 280 N 1.27 2.61 -0.01 2.92 1.01 -0.17 -1.07 120.40 126.97 1wtj s VAL 280 Ca 0.04 -0.82 0.06 0.00 0.00 0.00 0.00 61.98 61.26 1wtj s VAL 280 Cb -0.13 -2.06 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 1wtj s VAL 280 CO -0.12 0.54 -0.18 -0.63 0.00 0.00 0.00 175.10 174.71 1wtj s ILE 281 N 0.38 1.39 -0.56 2.22 1.01 0.85 -0.86 121.20 125.63 1wtj s ILE 281 Ca -0.14 -0.80 -0.21 0.00 0.00 0.00 0.00 60.65 59.51 1wtj s ILE 281 Cb -0.17 -1.16 0.07 0.00 0.01 0.00 0.00 42.46 41.21 1wtj s ILE 281 CO 0.07 0.35 0.76 -0.62 0.00 0.00 0.00 174.94 175.50 1wtj s ASP 282 N -0.51 6.22 0.63 3.58 2.15 -0.12 -0.91 116.67 127.71 1wtj s ASP 282 Ca 0.07 -0.95 0.38 0.00 0.43 0.00 0.00 52.55 52.47 1wtj s ASP 282 Cb -0.07 -2.34 2.14 0.00 -0.30 0.00 0.00 42.92 42.34 1wtj s ASP 282 CO -0.00 -1.11 2.30 1.55 -0.17 0.00 0.00 175.17 177.74 1wtj h PRO 283 N 9.20 0.00 -0.66 4.34 0.13 -1.85 -2.56 132.00 140.60 1wtj h PRO 283 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1wtj h PRO 283 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1wtj h PRO 283 CO 1.06 0.01 0.00 -0.25 -0.23 0.00 0.00 178.00 178.59 1wtj n ASP 284 N -3.37 3.77 -4.61 1.44 8.00 -1.26 -4.82 116.55 115.70 1wtj n ASP 284 Ca -0.03 -2.00 -0.45 0.00 0.71 0.00 0.00 54.79 53.03 1wtj n ASP 284 Cb 0.09 -0.44 -0.04 0.00 -0.02 0.00 0.00 41.12 40.71 1wtj n ASP 284 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1wtj n LYS 285 N 1.58 2.15 -1.84 -1.24 3.00 -0.97 -1.17 118.16 119.68 1wtj n LYS 285 Ca 0.23 0.70 -0.17 0.00 -0.00 0.00 0.00 58.31 59.07 1wtj n LYS 285 Cb 0.61 -2.96 -0.05 0.00 0.00 0.00 0.00 35.03 32.63 1wtj n LYS 285 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1wtj n GLY 286 N 5.25 0.87 3.87 3.14 0.00 -1.26 -4.99 105.19 112.07 1wtj n GLY 286 Ca 0.27 -0.19 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 1wtj n GLY 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wtj s ALA 287 N -2.73 3.83 -0.39 4.61 0.00 -0.32 -4.98 121.76 121.78 1wtj s ALA 287 Ca 0.00 -0.52 0.01 0.00 0.00 0.00 0.00 51.96 51.45 1wtj s ALA 287 Cb 0.00 -2.09 0.40 0.00 0.00 0.00 0.00 23.12 21.43 1wtj s ALA 287 CO 0.00 0.59 1.83 0.41 0.00 0.00 0.00 175.76 178.59 1wtj n GLY 288 N 1.81 4.31 3.80 0.00 0.00 -1.26 -4.88 105.19 108.97 1wtj n GLY 288 Ca -0.17 -1.19 -0.09 0.00 0.00 0.00 0.00 46.02 44.57 1wtj n GLY 288 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1wtj s GLN 289 N -2.52 2.27 -0.27 1.61 -2.07 -1.26 -5.14 119.66 112.28 1wtj s GLN 289 Ca 0.43 -1.48 0.02 0.00 -1.82 0.00 0.00 55.36 52.52 1wtj s GLN 289 Cb 0.35 0.63 0.06 0.00 -1.09 0.00 0.00 33.01 32.96 1wtj s GLN 289 CO 0.04 -1.07 -0.09 -1.01 -1.32 0.00 0.00 175.29 171.84 1wtj s HIS 290 N -2.18 3.29 0.25 9.60 3.76 -1.26 -4.91 115.29 123.85 1wtj s HIS 290 Ca 0.16 -2.30 -0.03 0.00 -0.15 0.00 0.00 55.06 52.74 1wtj s HIS 290 Cb -0.05 -2.01 0.52 0.00 1.11 0.00 0.00 32.58 32.15 1wtj s HIS 290 CO 0.12 -0.87 1.70 0.35 -0.85 0.00 0.00 174.74 175.18 1wtj h PHE 291 N 7.79 0.42 -0.04 1.40 3.57 -1.98 0.16 116.94 128.27 1wtj h PHE 291 Ca -0.19 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.37 1wtj h PHE 291 Cb 1.04 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.71 1wtj h PHE 291 CO 0.63 -0.03 0.03 0.00 -2.23 0.00 0.00 178.31 176.71 1wtj h ALA 292 N 1.61 1.71 0.15 2.41 0.00 -1.95 0.69 119.26 123.88 1wtj h ALA 292 Ca 0.45 -0.00 -0.29 0.00 0.00 0.00 0.00 54.91 55.07 1wtj h ALA 292 Cb 0.76 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.57 1wtj h ALA 292 CO -0.49 -0.05 -1.28 1.96 0.00 0.00 0.00 179.25 179.39 1wtj h GLN 293 N 0.00 0.36 -0.21 0.00 4.20 -1.33 -1.01 115.11 117.11 1wtj h GLN 293 Ca 0.02 -0.59 -0.03 0.00 0.06 0.00 0.00 58.65 58.11 1wtj h GLN 293 Cb 0.09 0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1wtj h GLN 293 CO -0.00 1.27 0.03 0.00 -0.67 0.00 0.00 178.83 179.46 1wtj h ARG 294 N 0.11 0.36 -0.44 1.46 2.47 -0.68 -2.12 114.38 115.53 1wtj h ARG 294 Ca -0.16 -0.10 -0.04 0.00 -1.26 0.00 0.00 59.98 58.42 1wtj h ARG 294 Cb 2.00 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 30.25 1wtj h ARG 294 CO 0.22 0.51 0.10 0.66 0.56 0.00 0.00 179.97 182.02 1wtj h SER 295 N 0.15 0.61 -0.37 7.04 4.64 -1.01 -1.58 113.55 123.02 1wtj h SER 295 Ca 0.06 -0.10 -0.07 0.00 -0.47 0.00 0.00 61.79 61.22 1wtj h SER 295 Cb 0.33 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.24 1wtj h SER 295 CO 0.00 0.61 0.01 -0.08 -0.87 0.00 0.00 176.83 176.51 1wtj h GLU 296 N 0.65 0.75 -0.39 4.77 4.57 -1.29 -1.20 114.58 122.43 1wtj h GLU 296 Ca 0.15 -0.19 -0.11 0.00 -1.18 0.00 0.00 59.36 58.03 1wtj h GLU 296 Cb 0.25 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 1wtj h GLU 296 CO -0.00 0.75 -0.20 1.49 -1.18 0.00 0.00 179.01 179.87 1wtj h GLU 297 N 0.70 0.77 -0.78 1.92 4.57 -0.68 -1.15 114.58 119.93 1wtj h GLU 297 Ca 0.14 -0.30 -0.05 0.00 -1.18 0.00 0.00 59.36 57.97 1wtj h GLU 297 Cb 0.42 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.93 1wtj h GLU 297 CO 0.02 0.91 0.30 1.25 -1.18 0.00 0.00 179.01 180.30 1wtj h LEU 298 N 0.67 1.09 -0.47 1.64 5.85 -0.66 -0.47 115.31 122.96 1wtj h LEU 298 Ca 0.10 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 1wtj h LEU 298 Cb 0.70 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 1wtj h LEU 298 CO 0.05 0.98 0.24 0.58 -0.34 0.00 0.00 178.44 179.95 1wtj h VAL 299 N 1.14 1.18 -0.65 1.05 2.07 -0.89 0.59 116.25 120.75 1wtj h VAL 299 Ca 0.26 -0.48 0.01 0.00 0.82 0.00 0.00 66.70 67.30 1wtj h VAL 299 Cb 0.24 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 1wtj h VAL 299 CO -0.02 0.19 0.43 -0.09 0.02 0.00 0.00 177.57 178.10 1wtj h ARG 300 N 0.62 0.85 -0.22 1.57 2.43 -0.69 -1.65 114.38 117.29 1wtj h ARG 300 Ca 0.16 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 59.18 1wtj h ARG 300 Cb 0.09 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 1wtj h ARG 300 CO -0.02 0.56 -0.30 1.96 -1.51 0.00 0.00 179.97 180.66 1wtj h GLN 301 N 0.87 0.44 -0.49 0.20 1.08 -0.76 -1.35 115.11 115.09 1wtj h GLN 301 Ca 0.24 -0.18 -0.05 0.00 -1.45 0.00 0.00 58.65 57.21 1wtj h GLN 301 Cb -0.09 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.30 1wtj h GLN 301 CO -0.06 0.69 0.11 -0.07 -0.95 0.00 0.00 178.83 178.55 1wtj h LEU 302 N 0.38 0.76 -0.94 1.46 3.38 -0.36 -2.09 115.31 117.91 1wtj h LEU 302 Ca 0.05 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 1wtj h LEU 302 Cb 0.72 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 1wtj h LEU 302 CO 0.06 0.80 0.29 0.45 0.09 0.00 0.00 178.44 180.13 1wtj h HIS 303 N 0.68 1.07 -0.14 1.13 3.86 -1.10 -1.67 115.15 118.98 1wtj h HIS 303 Ca 0.15 -0.07 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 1wtj h HIS 303 Cb 0.35 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.49 1wtj h HIS 303 CO 0.02 0.81 0.06 0.78 0.86 0.00 0.00 177.93 180.46 1wtj h GLY 304 N 1.09 0.20 -1.56 2.45 0.00 -0.65 -2.08 103.07 102.53 1wtj h GLY 304 Ca 0.24 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1wtj h GLY 304 CO -0.02 0.08 0.00 3.33 0.00 0.00 0.00 176.54 179.93 1wtj n VAL 305 N -4.48 0.35 0.00 4.60 0.24 -0.84 -4.95 118.33 113.25 1wtj n VAL 305 Ca -0.01 -0.54 0.00 0.00 -2.04 0.00 0.00 64.34 61.75 1wtj n VAL 305 Cb 0.11 0.68 0.00 0.00 -1.47 0.00 0.00 33.84 33.16 1wtj n VAL 305 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wtj n GLY 306 N 1.31 0.73 3.55 7.63 0.00 -0.78 -5.05 105.19 112.57 1wtj n GLY 306 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1wtj n GLY 306 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1wtj s GLN 307 N -0.52 3.25 0.06 1.61 0.74 -0.66 -4.86 119.66 119.27 1wtj s GLN 307 Ca 0.00 -0.19 -0.20 0.00 0.05 0.00 0.00 55.36 55.03 1wtj s GLN 307 Cb 0.00 -4.15 -0.12 0.00 1.10 0.00 0.00 33.01 29.84 1wtj s GLN 307 CO 0.00 -2.04 1.42 0.93 -0.55 0.00 0.00 175.29 175.05 1wtj h GLU 308 N 9.90 0.38 -5.26 1.67 5.08 -1.89 -3.35 114.58 121.12 1wtj h GLU 308 Ca -0.27 -0.17 -0.62 0.00 -1.00 0.00 0.00 59.36 57.30 1wtj h GLU 308 Cb 1.05 -0.01 -0.16 0.00 0.50 0.00 0.00 28.75 30.13 1wtj h GLU 308 CO 1.25 0.68 -0.56 1.03 -1.00 0.00 0.00 179.01 180.42 1wtj s ARG 309 N -4.59 3.98 0.08 2.33 1.81 -1.26 -5.02 118.95 116.27 1wtj s ARG 309 Ca -0.14 -0.34 -0.02 0.00 -1.72 0.00 0.00 55.73 53.51 1wtj s ARG 309 Cb 0.06 -3.24 -0.05 0.00 -0.45 0.00 0.00 34.95 31.28 1wtj s ARG 309 CO 0.75 0.25 0.27 -1.17 -0.68 0.00 0.00 175.30 174.72 1wtj s LEU 310 N 0.43 4.33 -0.23 2.53 2.96 -1.26 -5.00 118.68 122.45 1wtj s LEU 310 Ca 0.04 0.40 -0.38 0.00 -0.22 0.00 0.00 54.13 53.97 1wtj s LEU 310 Cb -0.12 -3.03 -0.14 0.00 0.50 0.00 0.00 46.19 43.40 1wtj s LEU 310 CO 0.00 0.15 1.83 -2.65 -1.32 0.00 0.00 176.35 174.36 1wtj n PRO 311 N 0.34 1.49 0.00 0.98 -0.02 -1.26 -0.60 135.00 135.92 1wtj n PRO 311 Ca -0.05 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1wtj n PRO 311 Cb 0.51 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 1wtj n PRO 311 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wtj n GLY 312 N 4.47 2.82 0.32 -1.23 0.00 -1.21 -3.20 105.19 107.16 1wtj n GLY 312 Ca 0.26 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.37 1wtj n GLY 312 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1wtj h ASP 313 N 0.17 0.58 -0.53 1.61 5.19 -1.20 -1.70 116.42 120.54 1wtj h ASP 313 Ca 0.00 0.10 0.02 0.00 -0.62 0.00 0.00 57.03 56.53 1wtj h ASP 313 Cb 0.00 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.48 1wtj h ASP 313 CO 0.00 0.22 0.32 -0.09 -3.12 0.00 0.00 179.24 176.57 1wtj h ARG 314 N 0.65 0.63 -0.36 3.56 2.43 -1.93 -2.36 114.38 116.99 1wtj h ARG 314 Ca 0.50 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.50 1wtj h ARG 314 Cb 0.74 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 1wtj h ARG 314 CO -0.38 0.42 -0.29 0.00 -1.51 0.00 0.00 179.97 178.20 1wtj h ARG 315 N 0.65 0.77 -0.31 0.20 3.08 -1.56 -2.74 114.38 114.46 1wtj h ARG 315 Ca 0.21 -0.34 -0.08 0.00 0.07 0.00 0.00 59.98 59.84 1wtj h ARG 315 Cb -0.00 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 1wtj h ARG 315 CO -0.08 0.96 -0.13 1.88 -1.07 0.00 0.00 179.97 181.53 1wtj h TYR 316 N 0.65 0.58 -0.37 3.04 0.05 -1.14 0.18 116.97 119.95 1wtj h TYR 316 Ca 0.08 -0.09 -0.11 0.00 0.05 0.00 0.00 58.73 58.65 1wtj h TYR 316 Cb 0.82 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 38.40 1wtj h TYR 316 CO 0.04 0.65 -0.22 -0.07 -1.05 0.00 0.00 178.16 177.51 1wtj h LEU 317 N 0.49 0.84 -0.60 3.88 3.38 -1.37 -1.57 115.31 120.35 1wtj h LEU 317 Ca 0.09 -0.42 -0.12 0.00 0.09 0.00 0.00 57.88 57.51 1wtj h LEU 317 Cb 0.52 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1wtj h LEU 317 CO 0.03 1.07 -0.23 -0.08 0.09 0.00 0.00 178.44 179.32 1wtj h GLU 318 N 0.60 0.87 -0.45 1.13 4.57 -1.17 -2.44 114.58 117.69 1wtj h GLU 318 Ca 0.08 -0.37 0.02 0.00 -1.18 0.00 0.00 59.36 57.91 1wtj h GLU 318 Cb 0.78 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.30 1wtj h GLU 318 CO 0.06 1.01 0.27 -0.09 -1.18 0.00 0.00 179.01 179.08 1wtj h ARG 319 N 0.75 0.54 -0.74 1.92 2.43 -0.51 -0.38 114.38 118.39 1wtj h ARG 319 Ca 0.10 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.25 1wtj h ARG 319 Cb 0.77 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.16 1wtj h ARG 319 CO 0.06 0.35 0.48 0.00 -1.51 0.00 0.00 179.97 179.36 1wtj h ALA 320 N 1.20 0.95 -0.46 2.80 0.00 -1.10 -1.67 119.26 120.97 1wtj h ALA 320 Ca 0.18 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1wtj h ALA 320 Cb 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1wtj h ALA 320 CO -0.08 0.31 0.23 -0.09 0.00 0.00 0.00 179.25 179.62 1wtj h ARG 321 N 0.96 0.66 -0.75 0.00 2.43 -0.91 -1.82 114.38 114.95 1wtj h ARG 321 Ca 0.28 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.34 1wtj h ARG 321 Cb -0.06 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.33 1wtj h ARG 321 CO -0.08 0.55 0.38 0.77 -1.51 0.00 0.00 179.97 180.08 1wtj h SER 322 N 0.60 0.95 1.39 -3.80 0.02 -0.62 0.21 113.55 112.29 1wtj h SER 322 Ca 0.16 -0.09 -0.05 0.00 -0.84 0.00 0.00 61.79 60.96 1wtj h SER 322 Cb 0.11 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 1wtj h SER 322 CO -0.02 0.78 -0.26 0.24 -1.14 0.00 0.00 176.83 176.43 1wtj h MET 323 N 1.05 0.00 0.10 3.45 2.86 -1.13 0.20 114.93 121.46 1wtj h MET 323 Ca 0.26 0.00 -0.36 0.00 -2.06 0.00 0.00 59.70 57.54 1wtj h MET 323 Cb 0.07 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.70 1wtj h MET 323 CO -0.04 0.26 -2.04 0.00 1.06 0.00 0.00 176.91 176.15 1wtj n ALA 324 N -2.19 1.02 0.12 6.32 0.00 -0.70 -4.56 120.51 120.53 1wtj n ALA 324 Ca 0.02 -0.68 0.01 0.00 0.00 0.00 0.00 53.44 52.79 1wtj n ALA 324 Cb 0.56 -0.62 0.01 0.00 0.00 0.00 0.00 19.45 19.40 1wtj n ALA 324 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1wtj n HIS 325 N -3.40 0.00 0.00 0.00 -0.00 0.69 -5.09 115.22 107.42 1wtj n HIS 325 Ca -0.32 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.40 1wtj n HIS 325 Cb 1.04 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 31.03 1wtj n HIS 325 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1wtj n GLY 326 N 0.36 -0.29 3.60 -1.41 0.00 0.71 -4.88 105.19 103.28 1wtj n GLY 326 Ca 0.01 -1.76 -0.40 0.00 0.00 0.00 0.00 46.02 43.87 1wtj n GLY 326 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wtj s ILE 327 N -1.90 5.07 -0.13 -0.61 1.01 0.14 -4.29 121.20 120.49 1wtj s ILE 327 Ca 0.00 0.67 -0.27 0.00 0.00 0.00 0.00 60.65 61.05 1wtj s ILE 327 Cb 0.00 -3.84 -0.01 0.00 0.01 0.00 0.00 42.46 38.61 1wtj s ILE 327 CO 0.00 0.01 0.92 0.54 0.00 0.00 0.00 174.94 176.41 1wtj s VAL 328 N 2.30 4.83 0.01 2.92 0.11 -1.26 -1.16 120.40 128.15 1wtj s VAL 328 Ca 0.19 1.85 0.02 0.00 -2.93 0.00 0.00 61.98 61.11 1wtj s VAL 328 Cb -0.16 -4.23 -0.01 0.00 -1.53 0.00 0.00 36.38 30.46 1wtj s VAL 328 CO 0.10 0.02 -0.06 -0.63 -3.33 0.00 0.00 175.10 171.21 1wtj s ILE 329 N 2.06 0.41 0.22 7.04 1.01 -0.07 -5.01 121.20 126.86 1wtj s ILE 329 Ca 0.44 -0.47 -0.32 0.00 0.00 0.00 0.00 60.65 60.29 1wtj s ILE 329 Cb -0.17 -0.40 -0.12 0.00 0.01 0.00 0.00 42.46 41.78 1wtj s ILE 329 CO 0.15 -0.05 1.71 0.00 0.00 0.00 0.00 174.94 176.75 1wtj n ALA 330 N 2.50 2.79 -0.27 9.38 0.00 -1.26 -0.71 120.51 132.92 1wtj n ALA 330 Ca -0.16 0.40 0.24 0.00 0.00 0.00 0.00 53.44 53.92 1wtj n ALA 330 Cb 0.57 -2.51 0.58 0.00 0.00 0.00 0.00 19.45 18.09 1wtj n ALA 330 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1wtj h GLN 331 N 6.53 0.27 -0.35 0.00 4.15 -1.87 0.12 115.11 123.95 1wtj h GLN 331 Ca -0.44 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 58.98 1wtj h GLN 331 Cb 1.21 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.81 1wtj h GLN 331 CO 0.94 0.18 0.21 0.00 -1.93 0.00 0.00 178.83 178.22 1wtj h ALA 332 N 1.58 0.44 -0.34 3.38 0.00 -2.00 -0.67 119.26 121.65 1wtj h ALA 332 Ca 0.53 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.29 1wtj h ALA 332 Cb 1.55 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 1wtj h ALA 332 CO -0.17 -0.14 -0.34 -0.44 0.00 0.00 0.00 179.25 178.16 1wtj h ASP 333 N 0.42 0.79 -0.36 0.00 3.32 -1.15 -2.69 116.42 116.76 1wtj h ASP 333 Ca 0.14 -0.34 -0.02 0.00 0.02 0.00 0.00 57.03 56.83 1wtj h ASP 333 Cb 0.00 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 1wtj h ASP 333 CO -0.06 1.06 0.14 0.25 -1.72 0.00 0.00 179.24 178.91 1wtj h LEU 334 N 0.63 0.49 -0.49 1.55 5.85 -0.99 -1.04 115.31 121.32 1wtj h LEU 334 Ca 0.06 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 1wtj h LEU 334 Cb 0.88 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 1wtj h LEU 334 CO 0.08 0.53 0.28 -0.33 -0.34 0.00 0.00 178.44 178.66 1wtj h GLU 335 N 0.43 0.67 -0.36 1.25 5.08 -1.09 -0.04 114.58 120.52 1wtj h GLU 335 Ca 0.12 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.32 1wtj h GLU 335 Cb 0.19 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1wtj h GLU 335 CO -0.01 0.50 -0.16 0.07 -1.00 0.00 0.00 179.01 178.41 1wtj h ARG 336 N 0.65 0.65 -0.55 2.33 0.11 -1.37 1.00 114.38 117.19 1wtj h ARG 336 Ca 0.17 -0.22 -0.07 0.00 0.10 0.00 0.00 59.98 59.96 1wtj h ARG 336 Cb 0.02 -0.05 -0.02 0.00 1.11 0.00 0.00 29.97 31.02 1wtj h ARG 336 CO -0.03 0.78 0.07 -0.07 0.10 0.00 0.00 179.97 180.83 1wtj h LEU 337 N 0.58 0.84 -0.83 0.08 3.38 -0.80 0.16 115.31 118.73 1wtj h LEU 337 Ca 0.10 -0.18 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 1wtj h LEU 337 Cb 0.61 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1wtj h LEU 337 CO 0.04 0.86 -0.25 1.56 0.09 0.00 0.00 178.44 180.74 1wtj h GLN 338 N 0.84 0.60 -0.27 1.13 4.20 -0.24 -0.85 115.11 120.51 1wtj h GLN 338 Ca 0.17 -0.24 -0.16 0.00 0.06 0.00 0.00 58.65 58.48 1wtj h GLN 338 Cb 0.39 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.14 1wtj h GLN 338 CO 0.01 0.80 -0.49 0.93 -0.67 0.00 0.00 178.83 179.41 1wtj h GLU 339 N 0.52 0.73 0.00 1.46 5.08 -0.11 -2.59 114.58 119.68 1wtj h GLU 339 Ca 0.07 -0.43 -0.06 0.00 -1.00 0.00 0.00 59.36 57.95 1wtj h GLU 339 Cb 0.71 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 1wtj h GLU 339 CO 0.05 1.05 -0.27 -0.07 -1.00 0.00 0.00 179.01 178.78 1wtj h LEU 340 N 0.58 0.00 -0.17 1.33 3.38 -0.43 -3.51 115.31 116.49 1wtj h LEU 340 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1wtj h LEU 340 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1wtj h LEU 340 CO 0.10 0.27 0.00 0.00 0.09 0.00 0.00 178.44 178.90