#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wae s ALA 49 N 0.00 1.41 0.18 7.33 0.00 -1.26 -5.06 121.76 124.36 2wae s ALA 49 Ca 0.00 -0.73 -0.29 0.00 0.00 0.00 0.00 51.96 50.94 2wae s ALA 49 Cb 0.00 -0.36 -0.08 0.00 0.00 0.00 0.00 23.12 22.69 2wae s ALA 49 CO 0.00 0.34 0.90 0.45 0.00 0.00 0.00 175.76 177.45 2wae s SER 50 N -0.42 7.53 -0.07 0.00 0.15 -1.24 -5.01 113.70 114.64 2wae s SER 50 Ca 0.06 1.82 0.05 0.00 0.70 0.00 0.00 55.95 58.59 2wae s SER 50 Cb -0.07 -2.57 -0.01 0.00 -1.71 0.00 0.00 66.02 61.66 2wae s SER 50 CO -0.01 0.11 -0.24 -1.58 1.20 0.00 0.00 173.24 172.73 2wae s GLN 51 N -0.85 2.67 -0.28 5.44 2.00 -1.26 -3.14 119.66 124.24 2wae s GLN 51 Ca 0.41 -0.88 -0.20 0.00 -2.00 0.00 0.00 55.36 52.69 2wae s GLN 51 Cb -0.24 -2.22 0.10 0.00 0.80 0.00 0.00 33.01 31.45 2wae s GLN 51 CO 0.30 0.36 0.83 -0.08 -0.50 0.00 0.00 175.29 176.20 2wae s THR 52 N -0.09 0.00 -0.04 -0.34 -1.32 -1.19 -5.04 115.64 107.62 2wae s THR 52 Ca -0.05 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.47 2wae s THR 52 Cb -0.14 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.84 2wae s THR 52 CO 0.04 0.00 -0.18 -1.59 -2.21 0.00 0.00 174.62 170.69 2wae s LYS 53 N 1.02 1.76 0.26 7.08 -2.85 -1.26 -1.47 119.74 124.28 2wae s LYS 53 Ca -0.05 -0.63 0.11 0.00 -1.00 0.00 0.00 55.97 54.41 2wae s LYS 53 Cb -0.05 -1.55 -0.05 0.00 -2.06 0.00 0.00 37.83 34.12 2wae s LYS 53 CO -0.12 0.28 -0.17 0.14 0.10 0.00 0.00 175.35 175.58 2wae s VAL 54 N -0.05 2.64 0.05 1.79 -7.23 -0.54 -5.01 120.40 112.04 2wae s VAL 54 Ca -0.02 -2.25 0.00 0.00 -1.81 0.00 0.00 61.98 57.90 2wae s VAL 54 Cb -0.11 -2.37 -0.03 0.00 0.56 0.00 0.00 36.38 34.43 2wae s VAL 54 CO 0.02 -0.34 -0.04 0.28 -0.31 0.00 0.00 175.10 174.70 2wae s THR 55 N -2.33 0.30 -0.03 5.32 -1.32 -1.26 -2.10 115.64 114.22 2wae s THR 55 Ca 0.29 -1.43 0.01 0.00 -1.21 0.00 0.00 61.69 59.35 2wae s THR 55 Cb -0.06 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 69.96 2wae s THR 55 CO 0.15 -0.73 -0.02 0.28 -2.21 0.00 0.00 174.62 172.10 2wae s THR 56 N -2.69 0.28 0.75 5.08 -1.32 -1.15 -4.72 115.64 111.86 2wae s THR 56 Ca -0.02 -0.01 -0.11 0.00 -1.21 0.00 0.00 61.69 60.33 2wae s THR 56 Cb -0.01 -0.32 0.05 0.00 -1.51 0.00 0.00 72.50 70.70 2wae s THR 56 CO -0.05 0.15 1.09 -0.94 -2.21 0.00 0.00 174.62 172.66 2wae s SER 57 N 0.74 4.62 0.11 8.08 1.04 -1.26 -3.27 113.70 123.76 2wae s SER 57 Ca -0.08 1.83 0.00 0.00 0.48 0.00 0.00 55.95 58.18 2wae s SER 57 Cb -0.11 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.49 2wae s SER 57 CO -0.01 -1.96 0.01 -1.20 0.98 0.00 0.00 173.24 171.06 2wae n SER 58 N -3.37 2.22 -4.76 7.02 7.64 -1.26 -4.89 113.62 116.22 2wae n SER 58 Ca 0.09 -1.46 -0.40 0.00 1.01 0.00 0.00 58.87 58.10 2wae n SER 58 Cb 0.53 0.07 -0.04 0.00 -1.01 0.00 0.00 64.21 63.76 2wae n SER 58 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wae s ALA 59 N -2.18 3.44 0.20 -0.43 0.00 -1.26 -4.49 121.76 117.04 2wae s ALA 59 Ca 0.01 1.02 -0.30 0.00 0.00 0.00 0.00 51.96 52.68 2wae s ALA 59 Cb -0.00 -3.38 -0.08 0.00 0.00 0.00 0.00 23.12 19.66 2wae s ALA 59 CO 0.00 -0.32 1.01 0.50 0.00 0.00 0.00 175.76 176.96 2wae s ARG 60 N -1.56 4.72 0.87 0.00 3.52 -1.26 0.10 118.95 125.34 2wae s ARG 60 Ca 0.46 1.59 -0.12 0.00 -0.13 0.00 0.00 55.73 57.52 2wae s ARG 60 Cb -0.35 -3.29 0.08 0.00 -1.56 0.00 0.00 34.95 29.83 2wae s ARG 60 CO 0.45 0.29 0.88 0.41 -0.81 0.00 0.00 175.30 176.51 2wae n GLY 61 N 1.77 -0.88 3.84 8.12 0.00 0.45 -4.49 105.19 114.00 2wae n GLY 61 Ca 0.00 -0.62 -0.21 0.00 0.00 0.00 0.00 46.02 45.19 2wae n GLY 61 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wae s GLU 62 N -3.98 2.68 -0.16 1.61 2.02 -1.26 -4.95 118.70 114.66 2wae s GLU 62 Ca 0.66 -1.33 -0.01 0.00 0.02 0.00 0.00 54.97 54.31 2wae s GLU 62 Cb -0.26 -2.44 -0.01 0.00 0.10 0.00 0.00 34.13 31.53 2wae s GLU 62 CO 0.59 0.09 -0.12 0.42 0.02 0.00 0.00 175.26 176.25 2wae s ILE 63 N -2.32 2.99 0.02 -1.63 1.01 -1.26 -2.24 121.20 117.77 2wae s ILE 63 Ca 0.41 -0.66 0.06 0.00 0.00 0.00 0.00 60.65 60.46 2wae s ILE 63 Cb -0.05 -2.28 -0.02 0.00 0.01 0.00 0.00 42.46 40.12 2wae s ILE 63 CO 0.26 0.50 -0.19 -0.31 0.00 0.00 0.00 174.94 175.21 2wae s TYR 64 N 0.71 1.65 1.09 3.97 2.02 -0.56 -0.71 117.35 125.52 2wae s TYR 64 Ca -0.06 -0.35 -0.18 0.00 -0.37 0.00 0.00 57.07 56.12 2wae s TYR 64 Cb -0.15 -1.01 0.25 0.00 -0.40 0.00 0.00 41.96 40.64 2wae s TYR 64 CO 0.02 0.04 1.24 0.16 -1.57 0.00 0.00 175.55 175.44 2wae s ASP 65 N -0.90 1.98 0.66 2.29 -4.77 -0.53 -0.00 116.67 115.40 2wae s ASP 65 Ca 0.06 0.37 0.42 0.00 -3.30 0.00 0.00 52.55 50.10 2wae s ASP 65 Cb -0.08 -0.46 2.28 0.00 -1.09 0.00 0.00 42.92 43.57 2wae s ASP 65 CO 0.01 -3.44 2.30 0.00 0.70 0.00 0.00 175.17 174.73 2wae h ALA 66 N -2.13 1.09 -0.01 2.11 0.00 -0.99 -1.59 119.26 117.75 2wae h ALA 66 Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2wae h ALA 66 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2wae h ALA 66 CO 0.34 -0.06 -0.34 -1.13 0.00 0.00 0.00 179.25 178.06 2wae n SER 67 N -3.09 1.07 0.00 0.00 3.41 -1.26 -4.99 113.62 108.76 2wae n SER 67 Ca -0.03 -1.03 0.00 0.00 -0.26 0.00 0.00 58.87 57.55 2wae n SER 67 Cb 0.13 0.65 0.00 0.00 -0.26 0.00 0.00 64.21 64.72 2wae n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wae n GLY 68 N 1.07 0.69 3.73 5.00 0.00 -0.60 -5.07 105.19 110.01 2wae n GLY 68 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 2wae n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wae s LYS 69 N -0.56 4.23 0.41 1.61 -0.14 -1.26 -4.70 119.74 119.34 2wae s LYS 69 Ca 0.00 2.33 -0.26 0.00 -1.36 0.00 0.00 55.97 56.69 2wae s LYS 69 Cb 0.00 -3.14 -0.08 0.00 -1.68 0.00 0.00 37.83 32.92 2wae s LYS 69 CO 0.00 -0.54 1.28 -1.25 -0.76 0.00 0.00 175.35 174.09 2wae s PRO 70 N 0.58 3.95 -0.00 -1.68 0.04 -1.26 -1.46 135.00 135.17 2wae s PRO 70 Ca 0.66 2.10 0.08 0.00 0.04 0.00 0.00 61.00 63.89 2wae s PRO 70 Cb -0.43 -2.72 -0.11 0.00 0.04 0.00 0.00 34.50 31.28 2wae s PRO 70 CO 0.36 -0.49 0.30 1.28 0.04 0.00 0.00 177.00 178.48 2wae n LEU 71 N 0.08 0.25 -4.27 -3.56 4.77 0.11 -4.90 117.00 109.47 2wae n LEU 71 Ca 0.04 -0.32 -0.15 0.00 -0.03 0.00 0.00 56.01 55.55 2wae n LEU 71 Cb 0.44 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.43 2wae n LEU 71 CO 0.55 0.06 -0.36 0.68 -1.33 0.00 0.00 177.39 176.99 2wae s VAL 72 N -2.09 0.97 -0.06 4.08 -7.23 -1.25 -1.72 120.40 113.10 2wae s VAL 72 Ca 0.01 -2.02 0.02 0.00 -1.81 0.00 0.00 61.98 58.17 2wae s VAL 72 Cb 0.06 -2.09 0.02 0.00 0.56 0.00 0.00 36.38 34.92 2wae s VAL 72 CO 0.35 -0.53 -0.09 -0.70 -0.31 0.00 0.00 175.10 173.83 2wae s GLU 73 N -3.84 1.35 -0.52 4.82 2.56 0.16 -4.82 118.70 118.42 2wae s GLU 73 Ca 0.23 -0.28 -0.16 0.00 0.00 0.00 0.00 54.97 54.75 2wae s GLU 73 Cb 0.05 -1.20 0.11 0.00 2.00 0.00 0.00 34.13 35.09 2wae s GLU 73 CO 0.04 -0.03 0.49 -0.80 -0.56 0.00 0.00 175.26 174.40 2wae s ASN 74 N 0.83 6.18 -0.24 -1.70 0.01 -1.26 -1.51 114.94 117.24 2wae s ASN 74 Ca -0.12 -1.58 -0.18 0.00 -0.71 0.00 0.00 52.86 50.26 2wae s ASN 74 Cb -0.15 -2.21 -0.03 0.00 0.41 0.00 0.00 41.25 39.27 2wae s ASN 74 CO 0.02 -0.81 0.53 0.28 -1.51 0.00 0.00 177.10 175.60 2wae s THR 75 N 1.74 5.07 0.08 1.60 -1.32 -0.30 -4.92 115.64 117.60 2wae s THR 75 Ca 0.04 0.93 -0.30 0.00 -1.21 0.00 0.00 61.69 61.16 2wae s THR 75 Cb -0.27 -3.84 -0.05 0.00 -1.51 0.00 0.00 72.50 66.82 2wae s THR 75 CO 0.05 0.11 1.00 -0.22 -2.21 0.00 0.00 174.62 173.35 2wae s LEU 76 N 2.07 4.46 0.17 9.08 0.20 -1.26 -0.88 118.68 132.52 2wae s LEU 76 Ca 0.23 1.80 -0.01 0.00 0.69 0.00 0.00 54.13 56.84 2wae s LEU 76 Cb -0.16 -3.58 -0.04 0.00 -0.43 0.00 0.00 46.19 41.98 2wae s LEU 76 CO 0.09 -0.16 0.10 -1.59 -0.29 0.00 0.00 176.35 174.50 2wae s LYS 77 N 0.30 1.08 -0.08 1.98 -2.85 -0.20 -4.94 119.74 115.04 2wae s LYS 77 Ca 0.49 -1.55 0.01 0.00 -1.00 0.00 0.00 55.97 53.93 2wae s LYS 77 Cb -0.24 0.25 -0.03 0.00 -2.06 0.00 0.00 37.83 35.76 2wae s LYS 77 CO 0.30 -0.33 -0.11 -0.65 0.10 0.00 0.00 175.35 174.66 2wae s GLN 78 N -4.11 2.83 0.13 1.78 -0.21 -1.26 -0.66 119.66 118.16 2wae s GLN 78 Ca 0.33 -0.63 0.05 0.00 0.02 0.00 0.00 55.36 55.13 2wae s GLN 78 Cb 0.07 -2.54 -0.04 0.00 1.00 0.00 0.00 33.01 31.51 2wae s GLN 78 CO 0.08 0.54 -0.13 0.08 -2.12 0.00 0.00 175.29 173.74 2wae s VAL 79 N -0.49 1.25 0.12 1.09 1.01 0.07 -4.55 120.40 118.89 2wae s VAL 79 Ca 0.07 -1.80 -0.30 0.00 0.00 0.00 0.00 61.98 59.94 2wae s VAL 79 Cb -0.12 -1.59 -0.07 0.00 0.00 0.00 0.00 36.38 34.60 2wae s VAL 79 CO 0.02 -0.52 1.24 -0.69 0.00 0.00 0.00 175.10 175.15 2wae s VAL 80 N -2.48 3.70 0.16 2.92 1.01 -1.26 -1.39 120.40 123.05 2wae s VAL 80 Ca 0.11 1.29 0.09 0.00 0.00 0.00 0.00 61.98 63.46 2wae s VAL 80 Cb -0.03 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 2wae s VAL 80 CO 0.02 0.14 -0.12 -0.44 0.00 0.00 0.00 175.10 174.70 2wae s SER 81 N 0.74 4.16 -0.05 3.32 0.01 0.13 -0.92 113.70 121.09 2wae s SER 81 Ca 0.58 -0.56 0.02 0.00 1.31 0.00 0.00 55.95 57.30 2wae s SER 81 Cb -0.32 -0.68 0.01 0.00 0.21 0.00 0.00 66.02 65.24 2wae s SER 81 CO 0.32 0.13 -0.10 0.12 0.41 0.00 0.00 173.24 174.12 2wae s PHE 82 N -1.51 1.18 -0.25 2.43 5.36 0.85 -1.16 117.98 124.88 2wae s PHE 82 Ca 0.23 -0.38 -0.04 0.00 -0.96 0.00 0.00 56.93 55.78 2wae s PHE 82 Cb -0.09 -0.88 0.01 0.00 -0.34 0.00 0.00 43.02 41.71 2wae s PHE 82 CO 0.14 -0.20 -0.01 0.99 -1.46 0.00 0.00 175.22 174.67 2wae s THR 83 N 0.54 3.36 0.08 0.12 2.01 0.06 -0.92 115.64 120.90 2wae s THR 83 Ca -0.10 -0.75 -0.14 0.00 0.31 0.00 0.00 61.69 61.01 2wae s THR 83 Cb -0.13 -2.66 -0.06 0.00 0.01 0.00 0.00 72.50 69.65 2wae s THR 83 CO 0.02 0.24 0.48 -0.60 -0.69 0.00 0.00 174.62 174.06 2wae s ARG 84 N 1.43 3.94 0.06 4.92 3.52 -1.01 -4.58 118.95 127.23 2wae s ARG 84 Ca 0.03 0.43 0.05 0.00 -0.13 0.00 0.00 55.73 56.10 2wae s ARG 84 Cb -0.16 -3.07 -0.04 0.00 -1.56 0.00 0.00 34.95 30.12 2wae s ARG 84 CO -0.02 0.58 -0.04 0.45 -0.81 0.00 0.00 175.30 175.46 2wae s SER 85 N -1.47 4.78 0.47 -2.12 0.15 -1.26 0.65 113.70 114.90 2wae s SER 85 Ca 0.32 -0.20 0.29 0.00 0.70 0.00 0.00 55.95 57.06 2wae s SER 85 Cb -0.16 -1.09 1.60 0.00 -1.71 0.00 0.00 66.02 64.66 2wae s SER 85 CO 0.17 0.21 1.89 -0.55 1.20 0.00 0.00 173.24 176.17 2wae h ASN 86 N 3.84 0.00 0.79 5.45 -1.07 -1.93 -2.65 115.58 120.00 2wae h ASN 86 Ca -0.48 0.00 -0.14 0.00 0.07 0.00 0.00 56.30 55.74 2wae h ASN 86 Cb 1.17 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 37.39 2wae h ASN 86 CO 0.56 0.00 -1.30 0.11 0.07 0.00 0.00 177.43 176.87 2wae h LYS 87 N 0.00 0.00 -6.14 4.14 1.57 -1.96 -3.45 116.57 110.73 2wae h LYS 87 Ca 0.00 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.20 2wae h LYS 87 Cb 0.11 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 2wae h LYS 87 CO 0.00 0.26 1.37 -1.64 -0.57 0.00 0.00 179.45 178.87 2wae s MET 88 N -2.98 3.30 1.02 3.15 -1.94 -1.00 -5.00 119.30 115.85 2wae s MET 88 Ca -0.02 1.80 -0.15 0.00 -1.71 0.00 0.00 55.69 55.60 2wae s MET 88 Cb 0.09 -4.27 0.20 0.00 2.01 0.00 0.00 34.83 32.86 2wae s MET 88 CO 0.80 -1.90 1.16 0.95 -0.01 0.00 0.00 175.02 176.02 2wae s THR 89 N 7.35 1.88 0.28 2.05 -4.23 -1.26 -4.86 115.64 116.86 2wae s THR 89 Ca 0.90 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 61.45 2wae s THR 89 Cb -0.29 -2.68 0.04 0.00 1.34 0.00 0.00 72.50 70.91 2wae s THR 89 CO 0.34 0.00 1.70 0.00 -0.54 0.00 0.00 174.62 176.12 2wae h ALA 90 N -1.90 1.08 -0.46 3.99 0.00 -1.95 -1.65 119.26 118.38 2wae h ALA 90 Ca -0.48 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 53.97 2wae h ALA 90 Cb 1.30 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 2wae h ALA 90 CO 0.49 0.58 0.05 1.15 0.00 0.00 0.00 179.25 181.52 2wae h THR 91 N 0.30 1.25 -0.83 0.00 2.02 -1.94 -0.49 112.91 113.23 2wae h THR 91 Ca 0.03 -0.96 0.10 0.00 0.77 0.00 0.00 66.41 66.35 2wae h THR 91 Cb 0.77 0.98 -0.07 0.00 -1.74 0.00 0.00 68.15 68.09 2wae h THR 91 CO 0.06 0.34 0.47 0.44 0.37 0.00 0.00 175.52 177.20 2wae h ASP 92 N 0.64 0.66 -0.24 4.18 3.32 -1.88 -2.05 116.42 121.06 2wae h ASP 92 Ca 0.14 0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.21 2wae h ASP 92 Cb 0.43 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 2wae h ASP 92 CO 0.01 0.37 0.02 -0.07 -1.72 0.00 0.00 179.24 177.86 2wae h LEU 93 N 0.78 0.39 -0.77 1.55 3.38 -0.82 -2.40 115.31 117.42 2wae h LEU 93 Ca 0.40 -0.28 0.18 0.00 0.09 0.00 0.00 57.88 58.27 2wae h LEU 93 Cb 0.39 -0.10 -0.13 0.00 0.09 0.00 0.00 40.66 40.91 2wae h LEU 93 CO -0.26 0.57 0.06 0.11 0.09 0.00 0.00 178.44 179.01 2wae h LYS 94 N 0.19 0.13 -0.25 1.13 1.57 -0.93 -1.02 116.57 117.40 2wae h LYS 94 Ca 0.07 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.78 2wae h LYS 94 Cb 0.36 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 2wae h LYS 94 CO 0.01 0.09 -0.12 0.93 -0.57 0.00 0.00 179.45 179.79 2wae h GLU 95 N 0.14 0.42 -0.39 3.15 4.39 -1.16 -2.22 114.58 118.91 2wae h GLU 95 Ca 0.43 -0.11 -0.16 0.00 0.34 0.00 0.00 59.36 59.86 2wae h GLU 95 Cb 0.78 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.38 2wae h GLU 95 CO -0.64 0.54 -0.38 0.82 -1.16 0.00 0.00 179.01 178.19 2wae h ILE 96 N 0.39 1.27 -0.17 3.13 2.04 -0.87 -2.79 117.51 120.52 2wae h ILE 96 Ca 0.08 -1.56 -0.00 0.00 1.00 0.00 0.00 64.86 64.38 2wae h ILE 96 Cb 0.45 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 2wae h ILE 96 CO 0.03 0.52 0.10 0.00 0.00 0.00 0.00 178.15 178.80 2wae h ALA 97 N 0.77 0.22 -0.65 1.87 0.00 -0.95 -1.46 119.26 119.07 2wae h ALA 97 Ca 0.06 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2wae h ALA 97 Cb 0.98 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 2wae h ALA 97 CO 0.10 -0.27 0.25 -0.22 0.00 0.00 0.00 179.25 179.11 2wae h LYS 98 N 0.20 0.95 -0.48 0.00 3.64 -1.45 0.79 116.57 120.23 2wae h LYS 98 Ca 0.06 -0.16 -0.12 0.00 -1.27 0.00 0.00 60.65 59.16 2wae h LYS 98 Cb 0.03 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 2wae h LYS 98 CO -0.01 0.79 -0.17 0.87 -2.27 0.00 0.00 179.45 178.66 2wae h LYS 99 N 0.93 0.94 -0.04 1.90 1.79 -1.43 -3.20 116.57 117.46 2wae h LYS 99 Ca 0.22 -0.37 -0.14 0.00 -2.18 0.00 0.00 60.65 58.18 2wae h LYS 99 Cb 0.20 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.78 2wae h LYS 99 CO -0.02 1.03 -0.61 1.25 -1.08 0.00 0.00 179.45 180.02 2wae h LEU 100 N 0.82 0.17 -2.53 2.94 5.85 -0.67 -3.15 115.31 118.75 2wae h LEU 100 Ca 0.12 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 2wae h LEU 100 Cb 0.72 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.70 2wae h LEU 100 CO 0.06 0.74 -0.02 0.25 -0.34 0.00 0.00 178.44 179.12 2wae h LEU 101 N 0.11 0.00 -1.33 2.25 5.85 -0.85 -1.09 115.31 120.25 2wae h LEU 101 Ca -0.01 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 2wae h LEU 101 Cb 1.10 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 2wae h LEU 101 CO 0.09 0.02 -0.25 0.71 -0.34 0.00 0.00 178.44 178.67 2wae h THR 102 N 0.00 0.71 0.00 1.05 1.35 -1.64 -3.30 112.91 111.08 2wae h THR 102 Ca -0.00 -1.06 -0.11 0.00 -0.55 0.00 0.00 66.41 64.70 2wae h THR 102 Cb 0.07 1.67 -0.02 0.00 -1.73 0.00 0.00 68.15 68.14 2wae h THR 102 CO 0.00 0.24 -2.02 -1.22 -0.25 0.00 0.00 175.52 172.28 2wae n TYR 103 N -3.57 0.00 -4.32 4.73 4.01 -0.45 -5.00 117.16 112.56 2wae n TYR 103 Ca -0.01 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.50 2wae n TYR 103 Cb 0.39 -0.60 -0.08 0.00 -0.31 0.00 0.00 39.34 38.74 2wae n TYR 103 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 2wae s VAL 104 N -3.09 3.26 -0.14 -0.72 -7.23 -0.98 -5.02 120.40 106.48 2wae s VAL 104 Ca -0.08 -1.96 -0.06 0.00 -1.81 0.00 0.00 61.98 58.07 2wae s VAL 104 Cb 0.10 -2.72 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 2wae s VAL 104 CO 0.80 -0.35 0.07 -0.44 -0.31 0.00 0.00 175.10 174.88 2wae s SER 105 N -3.54 5.80 -0.15 4.85 0.01 -1.26 -4.82 113.70 114.58 2wae s SER 105 Ca 0.30 0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.80 2wae s SER 105 Cb -0.06 -1.87 0.02 0.00 0.21 0.00 0.00 66.02 64.32 2wae s SER 105 CO 0.18 0.30 -0.14 -0.63 0.41 0.00 0.00 173.24 173.37 2wae s ILE 106 N -0.41 1.57 0.00 1.44 -1.09 -1.26 -2.60 121.20 118.85 2wae s ILE 106 Ca 0.10 -0.65 0.00 0.00 -2.23 0.00 0.00 60.65 57.87 2wae s ILE 106 Cb -0.12 -1.49 0.00 0.00 -1.58 0.00 0.00 42.46 39.28 2wae s ILE 106 CO 0.02 0.44 0.00 -1.54 -1.23 0.00 0.00 174.94 172.63 2wae n SER 107 N 4.77 0.00 -4.24 3.58 3.41 -1.26 -4.87 113.62 115.01 2wae n SER 107 Ca -0.17 0.04 -0.41 0.00 -0.26 0.00 0.00 58.87 58.07 2wae n SER 107 Cb 0.50 -0.30 -0.03 0.00 -0.26 0.00 0.00 64.21 64.13 2wae n SER 107 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2wae n SER 108 N -2.00 5.02 -4.62 4.04 7.64 -1.26 -5.02 113.62 117.42 2wae n SER 108 Ca 0.00 -3.08 -0.43 0.00 1.01 0.00 0.00 58.87 56.37 2wae n SER 108 Cb 0.00 -1.25 -0.03 0.00 -1.01 0.00 0.00 64.21 61.93 2wae n SER 108 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2wae s PRO 109 N -1.36 3.92 -0.90 1.43 0.04 -1.26 -4.96 135.00 131.90 2wae s PRO 109 Ca 0.30 0.78 -0.03 0.00 0.04 0.00 0.00 61.00 62.09 2wae s PRO 109 Cb -0.08 -3.79 0.22 0.00 0.04 0.00 0.00 34.50 30.89 2wae s PRO 109 CO -0.10 -0.98 0.80 -0.80 0.04 0.00 0.00 177.00 175.97 2wae s ASN 110 N 1.85 6.11 0.19 6.66 0.02 -1.26 -5.07 114.94 123.44 2wae s ASN 110 Ca 0.42 -3.66 -0.30 0.00 -1.02 0.00 0.00 52.86 48.31 2wae s ASN 110 Cb -0.11 -1.94 -0.08 0.00 0.02 0.00 0.00 41.25 39.14 2wae s ASN 110 CO 0.19 -0.21 1.05 -0.76 0.02 0.00 0.00 177.10 177.39 2wae s LEU 111 N -1.26 4.53 0.30 0.60 1.43 -1.26 -5.06 118.68 117.96 2wae s LEU 111 Ca 0.27 2.05 -0.10 0.00 -1.03 0.00 0.00 54.13 55.32 2wae s LEU 111 Cb -0.08 -3.61 -0.07 0.00 0.03 0.00 0.00 46.19 42.46 2wae s LEU 111 CO -0.12 -0.12 0.65 0.42 0.23 0.00 0.00 176.35 177.41 2wae s THR 112 N -0.49 4.85 0.32 5.49 -4.23 -1.26 -4.93 115.64 115.39 2wae s THR 112 Ca 0.47 0.55 0.10 0.00 -1.18 0.00 0.00 61.69 61.62 2wae s THR 112 Cb -0.28 -3.66 0.31 0.00 1.34 0.00 0.00 72.50 70.21 2wae s THR 112 CO 0.35 -0.25 1.71 -0.33 -0.54 0.00 0.00 174.62 175.56 2wae h GLU 113 N 2.03 0.48 -0.92 3.99 3.07 -1.99 0.44 114.58 121.68 2wae h GLU 113 Ca -0.47 -0.03 0.09 0.00 -0.50 0.00 0.00 59.36 58.45 2wae h GLU 113 Cb 1.18 -0.11 -0.07 0.00 -0.84 0.00 0.00 28.75 28.91 2wae h GLU 113 CO 0.66 0.32 0.56 0.00 -1.40 0.00 0.00 179.01 179.16 2wae h ARG 114 N 0.50 0.94 -0.24 2.33 3.08 -1.96 0.94 114.38 119.95 2wae h ARG 114 Ca 0.65 -0.06 -0.19 0.00 0.07 0.00 0.00 59.98 60.45 2wae h ARG 114 Cb 1.29 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 31.13 2wae h ARG 114 CO -0.51 0.62 -0.61 1.96 -1.07 0.00 0.00 179.97 180.36 2wae h GLN 115 N 0.97 0.82 -0.26 0.04 4.20 -0.57 -2.11 115.11 118.19 2wae h GLN 115 Ca 0.43 -0.55 0.00 0.00 0.06 0.00 0.00 58.65 58.59 2wae h GLN 115 Cb 0.31 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 2wae h GLN 115 CO -0.22 1.18 0.17 -0.07 -0.67 0.00 0.00 178.83 179.22 2wae h LEU 116 N 0.61 0.30 -0.86 1.46 3.38 -0.35 -2.47 115.31 117.38 2wae h LEU 116 Ca -0.00 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 2wae h LEU 116 Cb 1.21 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 2wae h LEU 116 CO 0.13 0.22 -0.04 0.00 0.09 0.00 0.00 178.44 178.84 2wae h ALA 117 N 1.09 1.05 -0.61 1.53 0.00 -0.84 -1.01 119.26 120.48 2wae h ALA 117 Ca 0.10 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2wae h ALA 117 Cb -0.03 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 2wae h ALA 117 CO -0.02 0.59 0.35 -0.44 0.00 0.00 0.00 179.25 179.72 2wae h ASP 118 N 0.74 0.75 -0.34 0.00 3.32 -1.21 -0.87 116.42 118.81 2wae h ASP 118 Ca 0.14 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 2wae h ASP 118 Cb 0.51 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 2wae h ASP 118 CO 0.03 0.61 -0.07 0.22 -1.72 0.00 0.00 179.24 178.31 2wae h TYR 119 N 0.82 0.73 -0.40 4.55 3.20 -1.25 -2.25 116.97 122.37 2wae h TYR 119 Ca 0.22 -0.15 0.05 0.00 3.14 0.00 0.00 58.73 61.99 2wae h TYR 119 Cb 0.02 -0.18 -0.05 0.00 1.54 0.00 0.00 36.73 38.06 2wae h TYR 119 CO -0.01 0.81 0.12 -0.92 -1.64 0.00 0.00 178.16 176.51 2wae h TYR 120 N 0.44 0.22 -0.00 -3.82 3.20 -0.92 -2.99 116.97 113.10 2wae h TYR 120 Ca 0.09 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.98 2wae h TYR 120 Cb 0.56 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.79 2wae h TYR 120 CO 0.05 0.07 -0.02 1.28 -1.64 0.00 0.00 178.16 177.90 2wae n LEU 121 N -5.04 0.42 -0.23 2.82 4.77 -0.35 -3.83 117.00 115.56 2wae n LEU 121 Ca 0.02 -0.10 -0.05 0.00 -0.03 0.00 0.00 56.01 55.86 2wae n LEU 121 Cb 0.16 -0.04 0.06 0.00 -2.33 0.00 0.00 43.42 41.26 2wae n LEU 121 CO 0.26 0.07 1.14 0.00 -1.33 0.00 0.00 177.39 177.53 2wae h ALA 122 N 3.99 0.85 -2.00 -1.18 0.00 -1.24 -3.39 119.26 116.29 2wae h ALA 122 Ca 0.00 -0.03 -0.63 0.00 0.00 0.00 0.00 54.91 54.25 2wae h ALA 122 Cb 0.19 -0.24 0.03 0.00 0.00 0.00 0.00 17.79 17.77 2wae h ALA 122 CO 0.00 0.22 1.00 -3.47 0.00 0.00 0.00 179.25 177.00 2wae n ASP 123 N -4.66 3.19 -0.02 0.00 -0.08 -1.25 -4.50 116.55 109.24 2wae n ASP 123 Ca 0.06 1.01 -0.01 0.00 -1.51 0.00 0.00 54.79 54.34 2wae n ASP 123 Cb 0.05 -1.35 0.28 0.00 2.34 0.00 0.00 41.12 42.44 2wae n ASP 123 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2wae h PRO 124 N 8.23 0.57 -0.18 -0.67 0.11 -1.95 -1.62 132.00 136.50 2wae h PRO 124 Ca -0.48 -0.12 -0.19 0.00 0.11 0.00 0.00 66.00 65.32 2wae h PRO 124 Cb 1.28 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2wae h PRO 124 CO 0.93 0.59 -0.65 1.49 -0.21 0.00 0.00 178.00 180.15 2wae h GLU 125 N 0.55 0.67 0.00 1.05 4.81 -1.93 -2.53 114.58 117.20 2wae h GLU 125 Ca 0.12 -0.48 -0.03 0.00 -0.13 0.00 0.00 59.36 58.84 2wae h GLU 125 Cb 0.33 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.79 2wae h GLU 125 CO 0.01 1.10 -0.13 0.97 -0.73 0.00 0.00 179.01 180.23 2wae h ILE 126 N 0.49 0.27 0.11 2.32 6.09 -1.84 -2.38 117.51 122.57 2wae h ILE 126 Ca -0.02 -1.01 -0.28 0.00 -1.37 0.00 0.00 64.86 62.18 2wae h ILE 126 Cb 1.24 1.81 0.03 0.00 0.47 0.00 0.00 36.82 40.37 2wae h ILE 126 CO 0.13 0.12 -1.18 0.22 -3.07 0.00 0.00 178.15 174.38 2wae h TYR 127 N 0.00 0.97 0.00 2.19 3.20 -1.23 -2.29 116.97 119.82 2wae h TYR 127 Ca -0.00 -0.61 -0.02 0.00 3.14 0.00 0.00 58.73 61.24 2wae h TYR 127 Cb 0.80 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.99 2wae h TYR 127 CO 0.00 1.45 -0.09 -0.22 -1.64 0.00 0.00 178.16 177.66 2wae h LYS 128 N 0.23 0.00 0.07 1.82 1.63 -1.38 -2.97 116.57 115.97 2wae h LYS 128 Ca -0.18 0.00 -0.32 0.00 -0.85 0.00 0.00 60.65 59.30 2wae h LYS 128 Cb 1.86 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 33.46 2wae h LYS 128 CO 0.23 0.09 -1.79 -0.22 -3.45 0.00 0.00 179.45 174.31 2wae h LYS 129 N 0.00 0.14 0.00 1.90 3.64 -1.44 -3.17 116.57 117.65 2wae h LYS 129 Ca -0.00 -0.25 -0.14 0.00 -1.27 0.00 0.00 60.65 58.99 2wae h LYS 129 Cb 0.42 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 2wae h LYS 129 CO 0.01 0.88 -0.67 1.79 -2.27 0.00 0.00 179.45 179.20 2wae h THR 130 N 0.04 1.38 0.00 1.00 1.35 -1.35 -2.77 112.91 112.56 2wae h THR 130 Ca -0.33 -2.37 -0.01 0.00 -0.55 0.00 0.00 66.41 63.15 2wae h THR 130 Cb 2.02 2.32 -0.00 0.00 -1.73 0.00 0.00 68.15 70.76 2wae h THR 130 CO 0.10 0.66 -0.36 1.62 -0.25 0.00 0.00 175.52 177.28 2wae h VAL 131 N 0.00 0.05 -0.31 6.82 3.04 -1.70 -3.29 116.25 120.87 2wae h VAL 131 Ca -0.01 -1.08 0.02 0.00 -1.01 0.00 0.00 66.70 64.62 2wae h VAL 131 Cb 1.26 1.87 -0.02 0.00 -2.01 0.00 0.00 31.29 32.39 2wae h VAL 131 CO 0.09 0.03 0.21 -0.08 -1.01 0.00 0.00 177.57 176.80 2wae h GLU 132 N 0.00 0.33 -2.63 4.17 4.57 -1.45 -3.22 114.58 116.35 2wae h GLU 132 Ca -0.00 -0.02 -0.74 0.00 -1.18 0.00 0.00 59.36 57.42 2wae h GLU 132 Cb 1.03 -0.08 -0.33 0.00 -0.16 0.00 0.00 28.75 29.22 2wae h GLU 132 CO 0.00 0.22 0.35 0.00 -1.18 0.00 0.00 179.01 178.40 2wae n ALA 133 N -2.51 4.91 -3.43 2.92 0.00 -1.22 -4.98 120.51 116.20 2wae n ALA 133 Ca 0.02 -4.78 -0.13 0.00 0.00 0.00 0.00 53.44 48.55 2wae n ALA 133 Cb 0.13 -1.85 -0.12 0.00 0.00 0.00 0.00 19.45 17.60 2wae n ALA 133 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2wae s LEU 134 N -2.85 0.75 0.00 0.00 1.43 -1.22 -5.04 118.68 111.75 2wae s LEU 134 Ca 0.35 0.50 0.00 0.00 -1.03 0.00 0.00 54.13 53.95 2wae s LEU 134 Cb 0.10 0.77 0.00 0.00 0.03 0.00 0.00 46.19 47.08 2wae s LEU 134 CO 0.05 -0.12 0.47 -0.81 0.23 0.00 0.00 176.35 176.16 2wae n PRO 135 N 3.61 0.57 0.00 1.29 -0.04 -1.26 -5.12 135.00 134.05 2wae n PRO 135 Ca -0.19 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.19 2wae n PRO 135 Cb 0.56 -1.10 -0.13 0.00 -0.04 0.00 0.00 33.50 32.78 2wae n PRO 135 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2wae h SER 150 N 0.15 0.00 0.32 3.54 0.02 -2.04 -3.56 113.55 111.98 2wae h SER 150 Ca 0.00 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.62 2wae h SER 150 Cb 0.10 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.66 2wae h SER 150 CO 0.00 0.99 -1.58 -0.33 -1.14 0.00 0.00 176.83 174.76 2wae h GLU 151 N 0.00 0.38 -0.26 3.45 3.07 -2.05 -1.57 114.58 117.60 2wae h GLU 151 Ca -0.21 -0.65 -0.14 0.00 -0.50 0.00 0.00 59.36 57.86 2wae h GLU 151 Cb 1.94 0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 30.08 2wae h GLU 151 CO 0.09 1.28 -0.40 1.25 -1.40 0.00 0.00 179.01 179.84 2wae h LEU 152 N 0.10 0.65 -1.32 1.33 5.85 -2.05 -2.62 115.31 117.24 2wae h LEU 152 Ca -0.28 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.14 2wae h LEU 152 Cb 2.09 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 42.93 2wae h LEU 152 CO 0.20 0.98 -0.08 1.88 -0.34 0.00 0.00 178.44 181.07 2wae h TYR 153 N 0.50 0.00 0.20 1.25 0.05 -2.00 -2.05 116.97 114.93 2wae h TYR 153 Ca 0.04 0.00 -0.32 0.00 0.05 0.00 0.00 58.73 58.51 2wae h TYR 153 Cb 0.91 0.00 0.03 0.00 1.01 0.00 0.00 36.73 38.68 2wae h TYR 153 CO 0.04 0.08 -1.38 -0.97 -1.05 0.00 0.00 178.16 174.88 2wae h ASN 154 N 0.00 0.79 0.18 3.88 -1.24 -1.13 -3.14 115.58 114.92 2wae h ASN 154 Ca -0.00 -0.81 -0.20 0.00 0.71 0.00 0.00 56.30 56.00 2wae h ASN 154 Cb 0.60 -0.26 -0.00 0.00 0.73 0.00 0.00 38.32 39.39 2wae h ASN 154 CO 0.01 1.63 -0.77 0.78 -1.29 0.00 0.00 177.43 177.79 2wae h ASN 155 N 0.17 0.60 0.30 1.15 4.21 -1.22 -2.15 115.58 118.63 2wae h ASN 155 Ca -0.22 -0.40 -0.17 0.00 1.21 0.00 0.00 56.30 56.72 2wae h ASN 155 Cb 2.07 -0.18 -0.01 0.00 -1.12 0.00 0.00 38.32 39.09 2wae h ASN 155 CO 0.26 1.16 -0.68 0.00 -1.29 0.00 0.00 177.43 176.88 2wae h ALA 156 N 0.82 0.68 0.00 -0.83 0.00 -1.54 -2.30 119.26 116.10 2wae h ALA 156 Ca -0.04 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.28 2wae h ALA 156 Cb 1.37 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2wae h ALA 156 CO 0.14 0.76 0.00 1.55 0.00 0.00 0.00 179.25 181.69 2wae n VAL 157 N -3.85 0.55 0.62 0.00 3.14 -1.19 -2.70 118.33 114.91 2wae n VAL 157 Ca -0.03 0.08 0.12 0.00 -2.96 0.00 0.00 64.34 61.55 2wae n VAL 157 Cb 0.67 -0.78 0.26 0.00 -1.06 0.00 0.00 33.84 32.93 2wae n VAL 157 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 2wae n ASP 158 N -1.71 0.70 -0.94 6.55 10.43 -0.81 -3.36 116.55 127.42 2wae n ASP 158 Ca 0.05 0.25 0.10 0.00 2.57 0.00 0.00 54.79 57.76 2wae n ASP 158 Cb 0.28 -0.14 0.16 0.00 1.84 0.00 0.00 41.12 43.26 2wae n ASP 158 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 2wae n SER 159 N -2.11 3.07 0.02 -2.24 7.64 -1.10 -4.52 113.62 114.39 2wae n SER 159 Ca 0.04 -1.90 -0.02 0.00 1.01 0.00 0.00 58.87 58.01 2wae n SER 159 Cb 0.43 -0.17 -0.09 0.00 -1.01 0.00 0.00 64.21 63.36 2wae n SER 159 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 2wae h VAL 160 N 3.76 0.56 -2.80 0.44 3.04 -1.56 -3.47 116.25 116.21 2wae h VAL 160 Ca 0.00 -2.12 -0.64 0.00 -1.01 0.00 0.00 66.70 62.93 2wae h VAL 160 Cb 0.86 2.11 -0.06 0.00 -2.01 0.00 0.00 31.29 32.19 2wae h VAL 160 CO 0.00 0.32 -0.44 -2.16 -1.01 0.00 0.00 177.57 174.28 2wae s PRO 161 N -2.87 3.51 0.47 4.17 0.04 -1.26 -5.09 135.00 133.98 2wae s PRO 161 Ca -0.03 -0.16 -0.21 0.00 0.04 0.00 0.00 61.00 60.65 2wae s PRO 161 Cb 0.09 -3.12 -0.09 0.00 0.04 0.00 0.00 34.50 31.42 2wae s PRO 161 CO 0.81 0.69 1.03 0.95 0.04 0.00 0.00 177.00 180.53 2wae s THR 162 N -1.23 3.85 -2.41 1.26 -4.23 -1.26 -4.95 115.64 106.67 2wae s THR 162 Ca 0.24 1.17 0.25 0.00 -1.18 0.00 0.00 61.69 62.18 2wae s THR 162 Cb -0.13 -3.49 0.52 0.00 1.34 0.00 0.00 72.50 70.74 2wae s THR 162 CO 0.14 -0.22 1.67 -1.20 -0.54 0.00 0.00 174.62 174.47 2wae n SER 163 N -0.85 1.55 -2.03 3.99 7.64 -1.26 -4.38 113.62 118.28 2wae n SER 163 Ca 0.09 -1.57 -0.08 0.00 1.01 0.00 0.00 58.87 58.32 2wae n SER 163 Cb 0.52 -0.04 -0.11 0.00 -1.01 0.00 0.00 64.21 63.58 2wae n SER 163 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wae n GLN 164 N 0.22 1.40 -2.78 1.43 1.13 -1.26 -4.92 117.38 112.59 2wae n GLN 164 Ca 0.18 -0.63 -0.32 0.00 -1.94 0.00 0.00 57.00 54.29 2wae n GLN 164 Cb 0.34 -1.75 -0.04 0.00 0.11 0.00 0.00 30.24 28.90 2wae n GLN 164 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2wae s LEU 165 N 0.00 3.83 -0.80 1.08 1.43 -1.26 -5.02 118.68 117.93 2wae s LEU 165 Ca 0.42 1.35 -0.15 0.00 -1.03 0.00 0.00 54.13 54.72 2wae s LEU 165 Cb 0.20 -4.22 0.19 0.00 0.03 0.00 0.00 46.19 42.38 2wae s LEU 165 CO 0.00 -0.41 0.81 0.21 0.23 0.00 0.00 176.35 177.19 2wae s ASN 166 N -2.84 6.65 -0.18 2.29 2.47 -1.26 -5.00 114.94 117.06 2wae s ASN 166 Ca 0.55 -2.40 -0.00 0.00 0.42 0.00 0.00 52.86 51.43 2wae s ASN 166 Cb -0.10 -2.25 0.01 0.00 -1.45 0.00 0.00 41.25 37.46 2wae s ASN 166 CO 0.26 -0.73 -0.16 -0.31 -3.72 0.00 0.00 177.10 172.45 2wae s TYR 167 N 0.95 2.81 0.99 0.43 2.02 -1.26 -5.12 117.35 118.16 2wae s TYR 167 Ca 0.19 -1.34 -0.12 0.00 -0.37 0.00 0.00 57.07 55.42 2wae s TYR 167 Cb -0.12 -1.95 0.12 0.00 -0.40 0.00 0.00 41.96 39.62 2wae s TYR 167 CO -0.07 -0.67 0.72 0.25 -1.57 0.00 0.00 175.55 174.22 2wae n THR 168 N 4.50 0.00 0.22 -0.71 -2.24 -1.26 -4.71 114.28 110.08 2wae n THR 168 Ca -0.20 -0.16 0.06 0.00 -2.27 0.00 0.00 64.05 61.48 2wae n THR 168 Cb 0.51 -0.81 0.51 0.00 -2.10 0.00 0.00 70.33 68.44 2wae n THR 168 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2wae h GLU 169 N -1.90 0.00 0.00 -0.78 4.39 -2.00 -1.37 114.58 112.93 2wae h GLU 169 Ca -0.47 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.12 2wae h GLU 169 Cb 1.29 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.93 2wae h GLU 169 CO 0.39 0.21 -0.53 -0.44 -1.16 0.00 0.00 179.01 177.49 2wae h ASP 170 N 0.00 0.00 -0.14 1.42 3.32 -2.02 -3.12 116.42 115.88 2wae h ASP 170 Ca -0.00 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 2wae h ASP 170 Cb 0.40 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.94 2wae h ASP 170 CO 0.03 0.53 -0.17 -0.08 -1.72 0.00 0.00 179.24 177.82 2wae h GLU 171 N 0.00 0.37 0.00 3.56 4.57 -1.63 -3.07 114.58 118.38 2wae h GLU 171 Ca -0.01 -0.21 0.00 0.00 -1.18 0.00 0.00 59.36 57.97 2wae h GLU 171 Cb 1.27 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.87 2wae h GLU 171 CO 0.07 0.77 0.28 0.87 -1.18 0.00 0.00 179.01 179.82 2wae h LYS 172 N -0.01 0.00 0.18 1.92 1.57 -1.23 -1.69 116.57 117.31 2wae h LYS 172 Ca 0.02 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.48 2wae h LYS 172 Cb 0.72 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.04 2wae h LYS 172 CO 0.04 0.00 -1.48 0.87 -0.57 0.00 0.00 179.45 178.31 2wae h LYS 173 N 0.00 0.38 0.00 3.15 1.57 -1.57 -2.46 116.57 117.63 2wae h LYS 173 Ca 0.00 -0.64 0.00 0.00 -1.87 0.00 0.00 60.65 58.14 2wae h LYS 173 Cb 0.55 0.24 0.00 0.00 0.08 0.00 0.00 32.23 33.10 2wae h LYS 173 CO 0.00 1.28 0.00 1.05 -0.57 0.00 0.00 179.45 181.21 2wae h GLU 174 N 0.10 0.00 -0.08 3.15 4.11 -1.41 -2.84 114.58 117.61 2wae h GLU 174 Ca -0.24 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 58.99 2wae h GLU 174 Cb 2.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.32 2wae h GLU 174 CO 0.21 0.00 -0.79 0.82 0.07 0.00 0.00 179.01 179.32 2wae h ILE 175 N 0.00 1.35 -0.16 -1.06 2.04 -1.51 -0.76 117.51 117.42 2wae h ILE 175 Ca 0.00 -2.16 -0.01 0.00 1.00 0.00 0.00 64.86 63.69 2wae h ILE 175 Cb 0.93 2.14 -0.01 0.00 -0.74 0.00 0.00 36.82 39.15 2wae h ILE 175 CO 0.00 0.66 0.05 0.22 0.00 0.00 0.00 178.15 179.07 2wae h TYR 176 N 0.34 0.25 -0.33 1.37 3.20 -1.34 -1.83 116.97 118.63 2wae h TYR 176 Ca -0.05 -0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.76 2wae h TYR 176 Cb 1.39 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.58 2wae h TYR 176 CO 0.06 0.36 0.06 -0.07 -1.64 0.00 0.00 178.16 176.93 2wae h LEU 177 N 0.07 0.52 -0.91 2.82 3.38 -1.53 -2.09 115.31 117.57 2wae h LEU 177 Ca 0.05 -0.25 0.19 0.00 0.09 0.00 0.00 57.88 57.96 2wae h LEU 177 Cb 0.23 -0.14 -0.11 0.00 0.09 0.00 0.00 40.66 40.73 2wae h LEU 177 CO -0.00 0.64 0.48 0.15 0.09 0.00 0.00 178.44 179.79 2wae h PHE 178 N 0.38 0.82 -0.21 1.13 3.57 -1.12 -0.60 116.94 120.91 2wae h PHE 178 Ca 0.10 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.65 2wae h PHE 178 Cb 0.33 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 2wae h PHE 178 CO 0.02 0.11 0.12 0.77 -2.23 0.00 0.00 178.31 177.10 2wae h SER 179 N 0.58 0.19 -0.73 0.41 0.02 -0.81 0.60 113.55 113.80 2wae h SER 179 Ca 0.54 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.48 2wae h SER 179 Cb 0.89 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 63.36 2wae h SER 179 CO -0.43 0.14 0.42 1.56 -1.14 0.00 0.00 176.83 177.38 2wae h GLN 180 N 0.25 1.01 -0.41 3.45 1.08 -0.51 -1.05 115.11 118.92 2wae h GLN 180 Ca 0.08 -0.10 -0.15 0.00 -1.45 0.00 0.00 58.65 57.03 2wae h GLN 180 Cb 0.00 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.22 2wae h GLN 180 CO -0.04 0.73 -0.31 -0.07 -0.95 0.00 0.00 178.83 178.19 2wae h LEU 181 N 1.01 0.97 -1.77 1.46 3.38 -1.05 -3.14 115.31 116.16 2wae h LEU 181 Ca 0.26 -0.41 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 2wae h LEU 181 Cb -0.00 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 2wae h LEU 181 CO -0.05 1.20 -0.12 -1.13 0.09 0.00 0.00 178.44 178.43 2wae h ASN 182 N 0.78 0.00 1.39 -0.43 -1.24 -0.35 -2.88 115.58 112.84 2wae h ASN 182 Ca 0.08 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.09 2wae h ASN 182 Cb 0.89 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.94 2wae h ASN 182 CO 0.08 0.12 0.00 0.00 -1.29 0.00 0.00 177.43 176.34 2wae h ALA 183 N 1.88 1.00 -2.29 1.57 0.00 -1.15 -3.45 119.26 116.82 2wae h ALA 183 Ca -0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 2wae h ALA 183 Cb 0.42 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 2wae h ALA 183 CO 0.02 0.00 0.52 0.08 0.00 0.00 0.00 179.25 179.86 2wae s VAL 184 N -3.20 4.81 0.56 0.00 1.01 -1.09 -5.03 120.40 117.46 2wae s VAL 184 Ca 0.08 1.83 -0.19 0.00 0.00 0.00 0.00 61.98 63.70 2wae s VAL 184 Cb 0.10 -4.22 -0.05 0.00 0.00 0.00 0.00 36.38 32.21 2wae s VAL 184 CO 0.57 -0.02 1.15 -0.83 0.00 0.00 0.00 175.10 175.97 2wae s GLY 185 N 1.15 2.67 0.01 4.51 0.00 -1.26 -4.83 107.32 109.56 2wae s GLY 185 Ca 0.42 0.88 -0.38 0.00 0.00 0.00 0.00 44.72 45.65 2wae s GLY 185 CO 0.13 1.25 1.39 0.70 0.00 0.00 0.00 173.10 176.57 2wae n ASN 186 N -1.37 1.63 0.00 1.64 4.13 -1.26 -0.70 115.26 119.33 2wae n ASN 186 Ca 0.12 1.12 0.00 0.00 1.68 0.00 0.00 54.58 57.50 2wae n ASN 186 Cb 0.50 -1.16 0.00 0.00 -1.54 0.00 0.00 39.78 37.59 2wae n ASN 186 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 2wae n PHE 187 N 2.93 0.00 -1.86 3.10 3.01 0.21 -4.98 117.46 119.88 2wae n PHE 187 Ca 0.20 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.35 2wae n PHE 187 Cb 0.17 -0.28 0.02 0.00 -0.01 0.00 0.00 39.48 39.38 2wae n PHE 187 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2wae s ALA 188 N -2.12 3.03 -0.27 4.37 0.00 0.12 -4.76 121.76 122.14 2wae s ALA 188 Ca 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 51.96 51.81 2wae s ALA 188 Cb 0.00 -3.07 0.04 0.00 0.00 0.00 0.00 23.12 20.08 2wae s ALA 188 CO 0.00 -0.82 -0.04 0.99 0.00 0.00 0.00 175.76 175.89 2wae s THR 189 N -3.21 2.91 0.25 0.00 2.01 -1.26 -2.39 115.64 113.94 2wae s THR 189 Ca 0.56 -1.18 0.10 0.00 0.31 0.00 0.00 61.69 61.48 2wae s THR 189 Cb -0.11 -2.56 -0.04 0.00 0.01 0.00 0.00 72.50 69.79 2wae s THR 189 CO 0.54 0.07 -0.05 -0.83 -0.69 0.00 0.00 174.62 173.65 2wae s GLY 190 N 1.29 1.70 0.19 4.40 0.00 -0.10 -4.89 107.32 109.91 2wae s GLY 190 Ca -0.02 -1.64 -0.25 0.00 0.00 0.00 0.00 44.72 42.81 2wae s GLY 190 CO -0.03 -1.70 0.78 -1.59 0.00 0.00 0.00 173.10 170.56 2wae s THR 191 N -2.20 4.38 -0.56 0.90 2.01 -1.26 -0.10 115.64 118.81 2wae s THR 191 Ca 0.30 1.66 -0.09 0.00 0.31 0.00 0.00 61.69 63.86 2wae s THR 191 Cb -0.07 -4.09 0.14 0.00 0.01 0.00 0.00 72.50 68.49 2wae s THR 191 CO 0.18 0.45 0.43 -0.63 -0.69 0.00 0.00 174.62 174.37 2wae s ILE 192 N -1.24 4.37 0.22 1.82 -1.09 -0.10 -4.88 121.20 120.31 2wae s ILE 192 Ca 0.38 -2.10 -0.31 0.00 -2.23 0.00 0.00 60.65 56.39 2wae s ILE 192 Cb -0.22 -3.84 -0.11 0.00 -1.58 0.00 0.00 42.46 36.71 2wae s ILE 192 CO 0.25 -0.84 1.64 0.00 -1.23 0.00 0.00 174.94 174.77 2wae s ALA 193 N 0.92 3.84 0.27 9.38 0.00 -1.26 -4.48 121.76 130.44 2wae s ALA 193 Ca 0.10 1.52 -0.01 0.00 0.00 0.00 0.00 51.96 53.57 2wae s ALA 193 Cb -0.23 -3.66 0.01 0.00 0.00 0.00 0.00 23.12 19.24 2wae s ALA 193 CO -0.02 -0.90 0.38 -2.37 0.00 0.00 0.00 175.76 172.85 2wae n THR 194 N 3.42 0.00 -2.07 0.00 5.66 -1.26 -5.03 114.28 115.00 2wae n THR 194 Ca 0.13 -1.40 -0.35 0.00 -3.05 0.00 0.00 64.05 59.39 2wae n THR 194 Cb 0.37 0.86 0.02 0.00 -1.55 0.00 0.00 70.33 70.02 2wae n THR 194 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2wae s ASP 195 N -2.69 5.45 0.02 1.09 1.01 -1.07 -4.91 116.67 115.57 2wae s ASP 195 Ca 0.23 2.15 -0.39 0.00 0.71 0.00 0.00 52.55 55.25 2wae s ASP 195 Cb -0.01 -2.57 -0.20 0.00 1.01 0.00 0.00 42.92 41.15 2wae s ASP 195 CO 0.16 -1.40 1.03 -2.65 0.21 0.00 0.00 175.17 172.52 2wae n PRO 196 N -1.69 0.02 -4.08 8.23 -0.02 -1.26 -4.85 135.00 131.36 2wae n PRO 196 Ca 0.12 0.01 -0.35 0.00 -2.02 0.00 0.00 63.50 61.25 2wae n PRO 196 Cb 0.51 -1.47 -0.08 0.00 -0.02 0.00 0.00 33.50 32.43 2wae n PRO 196 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2wae s LEU 197 N 0.24 3.92 0.78 2.45 1.43 -1.26 -5.02 118.68 121.22 2wae s LEU 197 Ca 0.89 0.22 -0.04 0.00 -1.03 0.00 0.00 54.13 54.16 2wae s LEU 197 Cb -1.24 -1.95 0.15 0.00 0.03 0.00 0.00 46.19 43.18 2wae s LEU 197 CO 0.57 0.31 1.07 0.54 0.23 0.00 0.00 176.35 179.07 2wae s ASN 198 N -0.44 4.05 0.19 2.29 2.20 -1.26 -4.78 114.94 117.18 2wae s ASN 198 Ca 0.10 -0.23 -0.10 0.00 -0.94 0.00 0.00 52.86 51.68 2wae s ASN 198 Cb -0.12 -0.06 0.10 0.00 -2.00 0.00 0.00 41.25 39.17 2wae s ASN 198 CO 0.02 -2.08 1.74 0.44 -2.94 0.00 0.00 177.10 174.28 2wae h ASP 199 N -0.79 0.93 -0.13 3.54 3.45 -1.99 -0.95 116.42 120.48 2wae h ASP 199 Ca -0.38 -0.18 -0.09 0.00 0.43 0.00 0.00 57.03 56.81 2wae h ASP 199 Cb 1.26 -0.24 0.00 0.00 -0.56 0.00 0.00 39.33 39.79 2wae h ASP 199 CO 0.39 0.86 -0.27 -1.28 -1.57 0.00 0.00 179.24 177.37 2wae h SER 200 N 0.95 0.46 -0.74 6.45 0.87 -1.99 -2.21 113.55 117.34 2wae h SER 200 Ca 0.22 -0.56 0.02 0.00 -1.23 0.00 0.00 61.79 60.23 2wae h SER 200 Cb 0.23 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.01 2wae h SER 200 CO -0.02 0.94 0.49 -0.61 -0.53 0.00 0.00 176.83 177.10 2wae h GLN 201 N 0.00 0.94 -0.26 2.24 4.15 -1.91 -1.64 115.11 118.63 2wae h GLN 201 Ca 0.00 -0.06 -0.14 0.00 0.77 0.00 0.00 58.65 59.22 2wae h GLN 201 Cb 0.87 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 28.34 2wae h GLN 201 CO 0.06 0.62 -0.42 0.28 -1.93 0.00 0.00 178.83 177.45 2wae h VAL 202 N 0.97 1.30 -0.05 2.39 2.07 -1.13 -3.04 116.25 118.75 2wae h VAL 202 Ca 0.28 -1.59 -0.10 0.00 0.82 0.00 0.00 66.70 66.11 2wae h VAL 202 Cb -0.06 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 2wae h VAL 202 CO -0.07 0.51 -0.43 0.00 0.02 0.00 0.00 177.57 177.60 2wae h ALA 203 N 1.02 1.20 0.50 1.67 0.00 -0.68 -1.96 119.26 121.01 2wae h ALA 203 Ca 0.04 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 2wae h ALA 203 Cb 0.94 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2wae h ALA 203 CO 0.08 0.57 -0.24 0.28 0.00 0.00 0.00 179.25 179.94 2wae h VAL 204 N 0.09 0.45 -0.93 0.00 2.07 -1.32 -2.91 116.25 113.70 2wae h VAL 204 Ca 0.01 -0.32 0.13 0.00 0.82 0.00 0.00 66.70 67.34 2wae h VAL 204 Cb 0.80 0.57 -0.09 0.00 -1.52 0.00 0.00 31.29 31.05 2wae h VAL 204 CO 0.06 0.05 0.55 0.40 0.02 0.00 0.00 177.57 178.65 2wae h ILE 205 N -0.88 0.83 -0.15 4.57 2.04 -1.44 -1.24 117.51 121.24 2wae h ILE 205 Ca -0.07 -0.28 -0.03 0.00 1.00 0.00 0.00 64.86 65.48 2wae h ILE 205 Cb 0.59 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 2wae h ILE 205 CO 0.11 0.15 -0.05 0.00 0.00 0.00 0.00 178.15 178.36 2wae h ALA 206 N 1.54 1.65 0.00 1.87 0.00 -1.36 -1.74 119.26 121.22 2wae h ALA 206 Ca 0.48 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 55.16 2wae h ALA 206 Cb 0.57 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2wae h ALA 206 CO -0.31 0.26 -0.55 0.66 0.00 0.00 0.00 179.25 179.31 2wae h SER 207 N 0.21 0.00 -0.27 0.00 4.64 -1.02 -3.29 113.55 113.82 2wae h SER 207 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2wae h SER 207 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2wae h SER 207 CO 0.01 0.44 0.00 2.30 -0.87 0.00 0.00 176.83 178.70 2wae n ILE 208 N -3.16 1.29 -0.18 0.95 -0.00 -1.06 -4.67 119.36 112.53 2wae n ILE 208 Ca 0.01 -1.22 -0.01 0.00 -0.00 0.00 0.00 62.75 61.53 2wae n ILE 208 Cb 0.72 0.32 0.09 0.00 -0.00 0.00 0.00 39.64 40.76 2wae n ILE 208 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.55 176.83 2wae h SER 209 N 1.63 -0.07 -0.36 7.28 0.02 -1.40 -2.06 113.55 118.58 2wae h SER 209 Ca 0.00 0.11 0.11 0.00 -0.84 0.00 0.00 61.79 61.17 2wae h SER 209 Cb 0.85 0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.55 2wae h SER 209 CO 0.04 -0.02 0.52 0.07 -1.14 0.00 0.00 176.83 176.31 2wae h LYS 210 N 0.21 0.00 -0.00 3.45 2.10 -1.85 0.17 116.57 120.64 2wae h LYS 210 Ca 0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.93 2wae h LYS 210 Cb 0.42 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.75 2wae h LYS 210 CO -0.40 0.00 -0.13 0.39 -2.00 0.00 0.00 179.45 177.31 2wae n GLU 211 N -3.42 0.23 -3.31 0.07 1.02 -0.77 -4.11 120.64 110.35 2wae n GLU 211 Ca 0.06 -0.06 -0.25 0.00 -0.02 0.00 0.00 57.16 56.89 2wae n GLU 211 Cb 0.67 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.52 2wae n GLU 211 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2wae n MET 212 N -1.33 1.58 -1.60 3.49 2.81 0.59 -5.10 117.12 117.56 2wae n MET 212 Ca 0.10 -3.92 -0.53 0.00 -1.81 0.00 0.00 57.70 51.53 2wae n MET 212 Cb 0.31 -1.72 -0.06 0.00 -0.71 0.00 0.00 33.22 31.04 2wae n MET 212 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 2wae n PRO 213 N 1.16 1.09 0.00 0.03 -0.02 -1.25 -1.43 135.00 134.57 2wae n PRO 213 Ca 0.25 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 2wae n PRO 213 Cb 0.47 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 2wae n PRO 213 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wae n GLY 214 N 2.70 0.87 3.76 -1.23 0.00 -1.26 -4.99 105.19 105.03 2wae n GLY 214 Ca 0.20 -0.13 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 2wae n GLY 214 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wae s ILE 215 N -1.01 4.86 0.32 -0.61 -1.09 -0.51 -0.76 121.20 122.39 2wae s ILE 215 Ca 0.00 1.36 -0.08 0.00 -2.23 0.00 0.00 60.65 59.70 2wae s ILE 215 Cb 0.00 -3.99 0.01 0.00 -1.58 0.00 0.00 42.46 36.90 2wae s ILE 215 CO 0.00 0.40 0.52 -0.94 -1.23 0.00 0.00 174.94 173.69 2wae s SER 216 N -0.13 0.41 -0.14 3.58 1.04 -0.31 -4.79 113.70 113.36 2wae s SER 216 Ca 0.33 -1.24 0.00 0.00 0.48 0.00 0.00 55.95 55.53 2wae s SER 216 Cb -0.19 0.66 -0.01 0.00 0.10 0.00 0.00 66.02 66.59 2wae s SER 216 CO 0.19 -1.30 -0.14 -0.63 0.98 0.00 0.00 173.24 172.33 2wae s ILE 217 N -3.28 2.90 0.37 -1.02 -1.09 -1.26 0.20 121.20 118.03 2wae s ILE 217 Ca 0.25 -0.71 0.04 0.00 -2.23 0.00 0.00 60.65 58.00 2wae s ILE 217 Cb -0.01 -2.21 -0.03 0.00 -1.58 0.00 0.00 42.46 38.62 2wae s ILE 217 CO 0.15 0.52 0.14 -0.94 -1.23 0.00 0.00 174.94 173.58 2wae s SER 218 N 0.48 2.41 -0.18 3.58 1.04 -0.49 -4.92 113.70 115.62 2wae s SER 218 Ca -0.10 -1.63 -0.05 0.00 0.48 0.00 0.00 55.95 54.65 2wae s SER 218 Cb -0.16 0.43 -0.03 0.00 0.10 0.00 0.00 66.02 66.36 2wae s SER 218 CO 0.05 -0.90 0.01 -0.89 0.98 0.00 0.00 173.24 172.48 2wae s THR 219 N -3.32 4.17 0.15 2.02 2.01 -1.26 -0.75 115.64 118.66 2wae s THR 219 Ca 0.29 -0.25 0.01 0.00 0.31 0.00 0.00 61.69 62.04 2wae s THR 219 Cb 0.04 -2.87 -0.00 0.00 0.01 0.00 0.00 72.50 69.67 2wae s THR 219 CO 0.16 0.45 0.02 -0.24 -0.69 0.00 0.00 174.62 174.32 2wae n SER 220 N 3.88 1.86 -3.74 3.53 2.88 0.17 -4.94 113.62 117.25 2wae n SER 220 Ca -0.17 -1.70 -0.14 0.00 -1.33 0.00 0.00 58.87 55.52 2wae n SER 220 Cb 0.52 0.20 -0.15 0.00 -0.75 0.00 0.00 64.21 64.04 2wae n SER 220 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 2wae s TRP 221 N -1.77 -0.13 0.12 0.66 0.51 -1.26 -1.03 118.94 116.04 2wae s TRP 221 Ca 0.03 0.43 -0.19 0.00 -2.12 0.00 0.00 56.10 54.25 2wae s TRP 221 Cb 0.00 -0.14 -0.07 0.00 -0.81 0.00 0.00 33.47 32.45 2wae s TRP 221 CO 0.02 -0.17 0.61 -0.51 -0.51 0.00 0.00 176.95 176.39 2wae s ASP 222 N 1.31 7.05 -0.21 2.95 1.01 -0.05 -4.92 116.67 123.81 2wae s ASP 222 Ca -0.07 1.29 -0.09 0.00 0.71 0.00 0.00 52.55 54.39 2wae s ASP 222 Cb -0.12 -2.37 -0.04 0.00 1.01 0.00 0.00 42.92 41.40 2wae s ASP 222 CO -0.05 0.20 0.10 -0.60 0.21 0.00 0.00 175.17 175.02 2wae s ARG 223 N -1.42 3.99 0.06 8.23 6.06 -1.26 -1.15 118.95 133.46 2wae s ARG 223 Ca 0.34 -0.32 0.06 0.00 -2.50 0.00 0.00 55.73 53.30 2wae s ARG 223 Cb -0.19 -3.35 -0.03 0.00 0.06 0.00 0.00 34.95 31.45 2wae s ARG 223 CO 0.20 0.16 -0.16 -1.59 -2.50 0.00 0.00 175.30 171.41 2wae s LYS 224 N 0.72 0.97 0.03 5.12 -2.85 -0.57 -5.00 119.74 118.17 2wae s LYS 224 Ca 0.05 -0.88 -0.17 0.00 -1.00 0.00 0.00 55.97 53.98 2wae s LYS 224 Cb -0.13 -1.02 -0.06 0.00 -2.06 0.00 0.00 37.83 34.56 2wae s LYS 224 CO 0.02 0.25 0.49 0.42 0.10 0.00 0.00 175.35 176.62 2wae s ILE 225 N -0.99 4.89 0.22 3.79 1.01 -1.26 -0.66 121.20 128.20 2wae s ILE 225 Ca 0.02 1.02 -0.13 0.00 0.00 0.00 0.00 60.65 61.57 2wae s ILE 225 Cb -0.09 -3.80 -0.08 0.00 0.01 0.00 0.00 42.46 38.50 2wae s ILE 225 CO 0.02 0.57 0.60 -0.76 0.00 0.00 0.00 174.94 175.36 2wae s LEU 226 N -1.08 4.21 -0.75 2.97 1.43 -0.70 -4.94 118.68 119.83 2wae s LEU 226 Ca 0.26 1.07 -0.26 0.00 -1.03 0.00 0.00 54.13 54.18 2wae s LEU 226 Cb -0.18 -3.63 -0.02 0.00 0.03 0.00 0.00 46.19 42.38 2wae s LEU 226 CO 0.16 -0.04 1.83 -0.70 0.23 0.00 0.00 176.35 177.83 2wae s GLU 227 N -2.54 2.68 0.24 1.70 2.12 -1.26 -4.61 118.70 117.03 2wae s GLU 227 Ca 0.46 0.13 -0.00 0.00 0.36 0.00 0.00 54.97 55.91 2wae s GLU 227 Cb -0.12 -4.67 -0.03 0.00 0.26 0.00 0.00 34.13 29.56 2wae s GLU 227 CO 0.20 -2.91 0.21 0.95 -0.54 0.00 0.00 175.26 173.16 2wae s THR 228 N 9.03 0.00 -0.71 -1.70 -4.23 -1.26 -5.04 115.64 111.73 2wae s THR 228 Ca 0.65 -1.93 0.22 0.00 -1.18 0.00 0.00 61.69 59.45 2wae s THR 228 Cb -0.09 -2.48 0.21 0.00 1.34 0.00 0.00 72.50 71.48 2wae s THR 228 CO 0.11 0.00 1.66 -1.54 -0.54 0.00 0.00 174.62 174.31 2wae n SER 229 N -0.59 0.43 -1.22 3.99 3.41 -1.26 -2.40 113.62 115.97 2wae n SER 229 Ca 0.03 0.59 0.09 0.00 -0.26 0.00 0.00 58.87 59.32 2wae n SER 229 Cb 0.65 -0.69 0.28 0.00 -0.26 0.00 0.00 64.21 64.19 2wae n SER 229 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2wae n LEU 230 N -1.96 3.56 0.18 1.04 4.77 -1.26 -4.52 117.00 118.80 2wae n LEU 230 Ca 0.03 -1.78 0.03 0.00 -0.03 0.00 0.00 56.01 54.26 2wae n LEU 230 Cb 0.25 -0.45 0.31 0.00 -2.33 0.00 0.00 43.42 41.20 2wae n LEU 230 CO 0.20 0.80 0.65 0.77 -1.33 0.00 0.00 177.39 178.47 2wae h SER 231 N 3.61 0.00 0.12 -1.43 4.64 -1.73 -2.76 113.55 116.01 2wae h SER 231 Ca 0.00 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.12 2wae h SER 231 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 2wae h SER 231 CO 0.06 0.44 -0.76 -1.28 -0.87 0.00 0.00 176.83 174.42 2wae h SER 232 N 0.00 0.64 0.72 4.97 0.87 -1.83 -3.27 113.55 115.65 2wae h SER 232 Ca -0.00 -0.42 -0.15 0.00 -1.23 0.00 0.00 61.79 59.98 2wae h SER 232 Cb 0.87 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.62 2wae h SER 232 CO 0.06 1.18 -0.73 0.40 -0.53 0.00 0.00 176.83 177.21 2wae h ILE 233 N 0.36 1.52 -0.78 2.23 2.04 -1.82 -3.24 117.51 117.83 2wae h ILE 233 Ca -0.04 -2.51 0.11 0.00 1.00 0.00 0.00 64.86 63.42 2wae h ILE 233 Cb 1.35 2.35 -0.05 0.00 -0.74 0.00 0.00 36.82 39.73 2wae h ILE 233 CO 0.14 0.72 0.51 0.58 0.00 0.00 0.00 178.15 180.10 2wae h VAL 234 N 0.01 0.92 0.00 1.67 2.07 -1.55 -3.01 116.25 116.35 2wae h VAL 234 Ca -0.01 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.28 2wae h VAL 234 Cb 1.30 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 2wae h VAL 234 CO 0.10 0.12 0.00 0.61 0.02 0.00 0.00 177.57 178.42 2wae n GLY 235 N -1.46 -2.24 3.55 2.17 0.00 -1.22 -1.49 105.19 104.50 2wae n GLY 235 Ca 0.13 -1.71 -0.24 0.00 0.00 0.00 0.00 46.02 44.21 2wae n GLY 235 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wae s SER 236 N -3.29 4.04 0.01 1.61 1.04 -1.19 -4.86 113.70 111.06 2wae s SER 236 Ca 0.00 -0.86 0.08 0.00 0.48 0.00 0.00 55.95 55.65 2wae s SER 236 Cb 0.00 -0.55 -0.02 0.00 0.10 0.00 0.00 66.02 65.55 2wae s SER 236 CO 0.00 0.01 -0.24 -0.69 0.98 0.00 0.00 173.24 173.30 2wae s VAL 237 N -2.43 1.91 0.43 5.02 1.01 -1.26 -0.64 120.40 124.44 2wae s VAL 237 Ca 0.31 -1.16 -0.24 0.00 0.00 0.00 0.00 61.98 60.89 2wae s VAL 237 Cb -0.05 -1.62 -0.08 0.00 0.00 0.00 0.00 36.38 34.63 2wae s VAL 237 CO 0.17 0.42 1.16 -0.94 0.00 0.00 0.00 175.10 175.91 2wae s SER 238 N -0.87 6.38 0.89 3.32 1.04 -0.63 -4.89 113.70 118.93 2wae s SER 238 Ca 0.10 2.30 -0.11 0.00 0.48 0.00 0.00 55.95 58.72 2wae s SER 238 Cb -0.09 -2.61 0.13 0.00 0.10 0.00 0.00 66.02 63.55 2wae s SER 238 CO 0.00 -0.77 1.11 -0.44 0.98 0.00 0.00 173.24 174.12 2wae s SER 239 N -1.28 3.37 0.39 7.02 0.01 -1.26 -4.40 113.70 117.54 2wae s SER 239 Ca 0.60 1.86 0.25 0.00 1.31 0.00 0.00 55.95 59.98 2wae s SER 239 Cb -0.29 -2.45 0.62 0.00 0.21 0.00 0.00 66.02 64.11 2wae s SER 239 CO 0.36 -2.77 1.70 -0.08 0.41 0.00 0.00 173.24 172.86 2wae h GLU 240 N -1.64 0.00 0.02 12.44 4.81 -1.89 0.13 114.58 128.45 2wae h GLU 240 Ca -0.46 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 58.64 2wae h GLU 240 Cb 1.26 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.63 2wae h GLU 240 CO 0.48 0.00 -0.68 1.57 -0.73 0.00 0.00 179.01 179.66 2wae h LYS 241 N 0.00 0.04 0.00 1.92 2.10 -1.92 -3.32 116.57 115.39 2wae h LYS 241 Ca 0.00 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 2wae h LYS 241 Cb 0.84 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.20 2wae h LYS 241 CO 0.00 1.03 0.00 0.00 -2.00 0.00 0.00 179.45 178.48 2wae h ALA 242 N -0.20 1.00 -0.99 0.07 0.00 -1.95 -3.48 119.26 113.72 2wae h ALA 242 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2wae h ALA 242 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2wae h ALA 242 CO -0.07 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.59 2wae n GLY 243 N -0.31 0.86 3.72 0.00 0.00 0.44 -4.64 105.19 105.26 2wae n GLY 243 Ca -0.00 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 2wae n GLY 243 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wae s LEU 244 N 0.00 4.38 0.08 0.99 2.96 -0.63 -4.56 118.68 121.90 2wae s LEU 244 Ca 0.00 2.49 -0.36 0.00 -0.22 0.00 0.00 54.13 56.04 2wae s LEU 244 Cb 0.00 -3.60 -0.15 0.00 0.50 0.00 0.00 46.19 42.94 2wae s LEU 244 CO 0.00 -0.71 1.50 -0.81 -1.32 0.00 0.00 176.35 175.01 2wae n PRO 245 N 3.57 1.64 -0.21 0.98 -0.04 -1.26 -4.83 135.00 134.85 2wae n PRO 245 Ca 0.11 0.59 -0.09 0.00 -0.04 0.00 0.00 63.50 64.07 2wae n PRO 245 Cb 0.41 -2.30 0.02 0.00 -0.04 0.00 0.00 33.50 31.58 2wae n PRO 245 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wae h ALA 246 N 5.61 0.80 0.00 0.55 0.00 -1.92 -1.63 119.26 122.68 2wae h ALA 246 Ca -0.46 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.13 2wae h ALA 246 Cb 1.30 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2wae h ALA 246 CO 0.85 0.66 0.00 -0.85 0.00 0.00 0.00 179.25 179.91 2wae n GLU 247 N -4.18 0.97 0.00 0.00 0.00 -1.26 -2.90 120.64 113.27 2wae n GLU 247 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.19 2wae n GLU 247 Cb 0.36 -1.45 0.00 0.00 0.00 0.00 0.00 31.44 30.34 2wae n GLU 247 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2wae n GLU 248 N -0.95 0.10 -0.31 3.44 -0.58 -0.99 -4.85 120.64 116.49 2wae n GLU 248 Ca 0.21 -0.33 0.12 0.00 -0.42 0.00 0.00 57.16 56.74 2wae n GLU 248 Cb 0.10 -0.81 0.30 0.00 -0.57 0.00 0.00 31.44 30.45 2wae n GLU 248 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wae h ALA 249 N 0.00 1.45 -0.22 0.62 0.00 -1.17 -1.03 119.26 118.91 2wae h ALA 249 Ca 0.00 0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 2wae h ALA 249 Cb 0.10 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2wae h ALA 249 CO 0.00 -0.26 -0.29 0.93 0.00 0.00 0.00 179.25 179.64 2wae h GLU 250 N 0.49 0.42 0.00 0.00 4.39 -1.89 -1.82 114.58 116.18 2wae h GLU 250 Ca 0.55 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 60.08 2wae h GLU 250 Cb 0.98 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.61 2wae h GLU 250 CO -0.48 0.67 -0.15 0.66 -1.16 0.00 0.00 179.01 178.56 2wae h SER 251 N 0.37 0.00 0.24 1.42 4.64 -1.57 -3.12 113.55 115.53 2wae h SER 251 Ca 0.05 -0.02 -0.34 0.00 -0.47 0.00 0.00 61.79 61.01 2wae h SER 251 Cb 0.69 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.77 2wae h SER 251 CO 0.05 0.01 -1.83 1.88 -0.87 0.00 0.00 176.83 176.08 2wae h TYR 252 N 0.00 0.49 -0.50 4.77 0.05 -1.30 -3.31 116.97 117.18 2wae h TYR 252 Ca 0.00 -0.36 0.00 0.00 0.05 0.00 0.00 58.73 58.42 2wae h TYR 252 Cb 0.90 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 38.59 2wae h TYR 252 CO 0.00 1.61 0.31 -0.07 -1.05 0.00 0.00 178.16 178.96 2wae h LEU 253 N 0.07 0.59 -1.62 3.88 3.38 -1.41 0.61 115.31 120.81 2wae h LEU 253 Ca -0.36 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.55 2wae h LEU 253 Cb 2.05 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.65 2wae h LEU 253 CO 0.13 0.44 -0.19 0.50 0.09 0.00 0.00 178.44 179.40 2wae h LYS 254 N 0.69 0.00 0.14 1.13 3.64 -1.68 -2.96 116.57 117.53 2wae h LYS 254 Ca 0.18 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.28 2wae h LYS 254 Cb -0.05 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.78 2wae h LYS 254 CO -0.04 0.19 -1.32 0.87 -2.27 0.00 0.00 179.45 176.89 2wae h LYS 255 N 0.00 0.30 0.00 1.90 1.79 -1.00 -3.48 116.57 116.09 2wae h LYS 255 Ca -0.00 -0.51 0.00 0.00 -2.18 0.00 0.00 60.65 57.96 2wae h LYS 255 Cb 0.35 0.19 0.00 0.00 -1.58 0.00 0.00 32.23 31.19 2wae h LYS 255 CO 0.03 1.23 0.00 0.41 -1.08 0.00 0.00 179.45 180.03 2wae n GLY 256 N 1.58 -0.76 3.78 3.86 0.00 -0.73 -5.13 105.19 107.79 2wae n GLY 256 Ca -0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 2wae n GLY 256 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wae s TYR 257 N -0.16 2.70 0.78 1.61 2.02 -0.90 -4.99 117.35 118.41 2wae s TYR 257 Ca 0.00 1.55 -0.12 0.00 -0.37 0.00 0.00 57.07 58.13 2wae s TYR 257 Cb 0.00 -3.21 0.18 0.00 -0.40 0.00 0.00 41.96 38.53 2wae s TYR 257 CO 0.00 -1.53 1.07 0.43 -1.57 0.00 0.00 175.55 173.95 2wae n SER 258 N -1.75 0.25 0.08 2.29 7.64 -1.26 -4.42 113.62 116.46 2wae n SER 258 Ca 0.11 -1.49 0.00 0.00 1.01 0.00 0.00 58.87 58.50 2wae n SER 258 Cb 0.52 -0.80 -0.04 0.00 -1.01 0.00 0.00 64.21 62.88 2wae n SER 258 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2wae h LEU 259 N 0.00 0.00 -3.27 -3.43 5.85 -1.97 -3.34 115.31 109.15 2wae h LEU 259 Ca -0.35 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.37 2wae h LEU 259 Cb 0.99 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.02 2wae h LEU 259 CO 0.26 0.58 0.00 -0.46 -0.34 0.00 0.00 178.44 178.48 2wae n ASN 260 N -3.08 3.99 -4.73 1.25 6.94 -1.26 -1.60 115.26 116.76 2wae n ASN 260 Ca -0.04 -3.00 -0.34 0.00 -0.02 0.00 0.00 54.58 51.18 2wae n ASN 260 Cb 0.80 -0.55 0.08 0.00 -2.36 0.00 0.00 39.78 37.75 2wae n ASN 260 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 2wae s ASP 261 N -1.86 4.48 -0.26 0.53 1.01 -1.25 -4.65 116.67 114.66 2wae s ASP 261 Ca 0.43 2.31 -0.07 0.00 0.71 0.00 0.00 52.55 55.93 2wae s ASP 261 Cb 0.34 -2.58 -0.01 0.00 1.01 0.00 0.00 42.92 41.68 2wae s ASP 261 CO 0.09 -2.07 0.06 -0.13 0.21 0.00 0.00 175.17 173.34 2wae s ARG 262 N -3.85 3.40 0.09 8.23 0.52 -1.26 -2.99 118.95 123.09 2wae s ARG 262 Ca 0.74 -0.65 0.04 0.00 -0.52 0.00 0.00 55.73 55.34 2wae s ARG 262 Cb -0.28 -3.30 -0.03 0.00 0.52 0.00 0.00 34.95 31.85 2wae s ARG 262 CO 0.43 -0.29 -0.12 0.14 0.02 0.00 0.00 175.30 175.48 2wae s VAL 263 N 1.55 1.01 0.08 3.52 -7.23 -1.26 -4.86 120.40 113.21 2wae s VAL 263 Ca 0.05 -1.51 -0.32 0.00 -1.81 0.00 0.00 61.98 58.39 2wae s VAL 263 Cb -0.16 -1.23 -0.11 0.00 0.56 0.00 0.00 36.38 35.44 2wae s VAL 263 CO 0.02 -0.43 1.83 0.61 -0.31 0.00 0.00 175.10 176.82 2wae n GLY 264 N 0.84 1.58 0.29 2.32 0.00 -1.26 -1.61 105.19 107.35 2wae n GLY 264 Ca -0.18 0.75 0.06 0.00 0.00 0.00 0.00 46.02 46.65 2wae n GLY 264 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wae n THR 265 N 4.72 0.00 -3.71 2.61 -2.24 0.18 -4.21 114.28 111.63 2wae n THR 265 Ca 0.19 -0.41 -0.12 0.00 -2.27 0.00 0.00 64.05 61.44 2wae n THR 265 Cb 0.35 1.15 -0.10 0.00 -2.10 0.00 0.00 70.33 69.63 2wae n THR 265 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2wae s SER 266 N -1.36 -0.50 0.90 3.42 0.15 -1.18 -4.88 113.70 110.25 2wae s SER 266 Ca 0.10 0.93 0.00 0.00 0.70 0.00 0.00 55.95 57.68 2wae s SER 266 Cb 0.09 0.91 0.00 0.00 -1.71 0.00 0.00 66.02 65.31 2wae s SER 266 CO 0.25 -0.17 0.00 -1.22 1.20 0.00 0.00 173.24 173.30 2wae n TYR 267 N 3.23 0.00 -0.09 3.44 4.02 -1.26 -2.67 117.16 123.83 2wae n TYR 267 Ca -0.16 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.62 2wae n TYR 267 Cb 0.57 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.90 2wae n TYR 267 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 2wae h LEU 268 N 0.00 0.89 -0.98 7.72 3.38 -1.42 -0.62 115.31 124.29 2wae h LEU 268 Ca 0.00 -0.40 0.08 0.00 0.09 0.00 0.00 57.88 57.66 2wae h LEU 268 Cb 0.00 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 40.43 2wae h LEU 268 CO 0.00 1.16 0.62 -0.33 0.09 0.00 0.00 178.44 179.98 2wae h GLU 269 N 0.69 1.04 -0.12 1.13 4.39 -1.04 -1.18 114.58 119.49 2wae h GLU 269 Ca 0.06 -0.06 -0.12 0.00 0.34 0.00 0.00 59.36 59.58 2wae h GLU 269 Cb 0.94 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 2wae h GLU 269 CO 0.09 0.69 -0.39 -0.22 -1.16 0.00 0.00 179.01 178.02 2wae h LYS 270 N 1.07 0.48 -0.06 2.33 3.64 -1.27 -2.51 116.57 120.25 2wae h LYS 270 Ca 0.44 -0.35 -0.08 0.00 -1.27 0.00 0.00 60.65 59.40 2wae h LYS 270 Cb 0.28 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 2wae h LYS 270 CO -0.21 0.97 -0.32 0.37 -2.27 0.00 0.00 179.45 177.99 2wae h GLN 271 N 0.07 0.11 -0.19 1.90 5.75 -0.68 -2.86 115.11 119.20 2wae h GLN 271 Ca -0.01 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.42 2wae h GLN 271 Cb 1.01 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.53 2wae h GLN 271 CO 0.08 0.42 -0.03 0.66 -2.65 0.00 0.00 178.83 177.32 2wae n TYR 272 N -4.13 0.68 -0.28 3.99 4.02 -0.49 -4.69 117.16 116.26 2wae n TYR 272 Ca -0.02 -1.05 0.08 0.00 -0.01 0.00 0.00 57.90 56.90 2wae n TYR 272 Cb 0.39 -0.30 0.20 0.00 -0.02 0.00 0.00 39.34 39.61 2wae n TYR 272 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 2wae h GLU 273 N 1.15 0.11 -0.03 -0.72 4.57 -1.20 0.20 114.58 118.64 2wae h GLU 273 Ca 0.04 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.20 2wae h GLU 273 Cb 1.34 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.91 2wae h GLU 273 CO 0.18 0.07 -0.02 1.49 -1.18 0.00 0.00 179.01 179.55 2wae h GLU 274 N 0.11 0.05 0.07 1.92 4.81 -1.85 -0.82 114.58 118.87 2wae h GLU 274 Ca 0.46 -0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 59.38 2wae h GLU 274 Cb 0.85 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.20 2wae h GLU 274 CO -0.70 0.07 -1.64 0.28 -0.73 0.00 0.00 179.01 176.29 2wae h VAL 275 N 0.05 0.99 0.04 0.32 2.07 -1.08 -3.38 116.25 115.26 2wae h VAL 275 Ca 0.01 -2.72 -0.27 0.00 0.82 0.00 0.00 66.70 64.55 2wae h VAL 275 Cb 0.07 2.61 -0.03 0.00 -1.52 0.00 0.00 31.29 32.42 2wae h VAL 275 CO 0.00 0.74 -1.39 -0.07 0.02 0.00 0.00 177.57 176.87 2wae h LEU 276 N 0.04 0.12 -9.50 2.57 3.38 -0.69 -2.77 115.31 108.46 2wae h LEU 276 Ca -0.28 -0.18 -0.58 0.00 0.09 0.00 0.00 57.88 56.94 2wae h LEU 276 Cb 2.00 -0.04 0.05 0.00 0.09 0.00 0.00 40.66 42.76 2wae h LEU 276 CO 0.12 1.15 0.87 1.67 0.09 0.00 0.00 178.44 182.34 2wae n GLN 277 N -3.29 2.27 -2.13 1.13 -0.06 -0.34 -0.41 117.38 114.54 2wae n GLN 277 Ca -0.11 0.82 -0.41 0.00 -2.00 0.00 0.00 57.00 55.31 2wae n GLN 277 Cb 1.01 -2.61 -0.02 0.00 -4.06 0.00 0.00 30.24 24.55 2wae n GLN 277 CO 0.00 0.00 0.00 0.20 -0.20 0.00 0.00 177.06 177.06 2wae s GLY 278 N 1.35 2.98 0.39 1.69 0.00 -1.23 -4.48 107.32 108.03 2wae s GLY 278 Ca 0.80 1.24 -0.27 0.00 0.00 0.00 0.00 44.72 46.49 2wae s GLY 278 CO 0.38 1.90 1.41 1.25 0.00 0.00 0.00 173.10 178.05 2wae s LYS 279 N -1.72 4.02 0.02 2.90 2.20 -0.95 -4.42 119.74 121.79 2wae s LYS 279 Ca 0.49 2.41 -0.07 0.00 -0.36 0.00 0.00 55.97 58.44 2wae s LYS 279 Cb -0.39 -2.87 -0.05 0.00 -1.51 0.00 0.00 37.83 33.01 2wae s LYS 279 CO 0.52 -0.55 0.29 1.03 -0.36 0.00 0.00 175.35 176.28 2wae s ARG 280 N -2.16 3.60 0.04 4.03 0.52 -1.26 -2.46 118.95 121.26 2wae s ARG 280 Ca 0.55 -0.05 -0.30 0.00 -0.52 0.00 0.00 55.73 55.41 2wae s ARG 280 Cb -0.43 -3.06 -0.04 0.00 0.52 0.00 0.00 34.95 31.93 2wae s ARG 280 CO 0.58 0.63 1.06 -1.25 0.02 0.00 0.00 175.30 176.34 2wae s PRO 281 N -1.80 4.53 -0.02 3.54 0.04 -1.20 -4.19 135.00 135.90 2wae s PRO 281 Ca 0.28 1.56 0.05 0.00 0.04 0.00 0.00 61.00 62.93 2wae s PRO 281 Cb -0.13 -3.40 -0.03 0.00 0.04 0.00 0.00 34.50 30.98 2wae s PRO 281 CO 0.17 -0.09 -0.18 0.08 0.04 0.00 0.00 177.00 177.02 2wae s VAL 282 N 0.86 2.75 0.01 -0.36 1.01 0.26 -2.94 120.40 121.99 2wae s VAL 282 Ca 0.54 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 61.65 2wae s VAL 282 Cb -0.24 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 2wae s VAL 282 CO 0.29 0.53 -0.16 -0.54 0.00 0.00 0.00 175.10 175.23 2wae s LYS 283 N -0.85 1.18 -0.05 2.72 1.02 -0.89 -0.56 119.74 122.31 2wae s LYS 283 Ca 0.12 -0.65 -0.02 0.00 0.02 0.00 0.00 55.97 55.44 2wae s LYS 283 Cb -0.10 -1.17 -0.04 0.00 -0.52 0.00 0.00 37.83 36.00 2wae s LYS 283 CO 0.01 0.31 0.06 -1.21 -0.92 0.00 0.00 175.35 173.61 2wae s GLU 284 N -0.66 3.09 -0.05 1.68 2.02 0.22 -1.47 118.70 123.53 2wae s GLU 284 Ca 0.05 -0.41 0.04 0.00 0.02 0.00 0.00 54.97 54.67 2wae s GLU 284 Cb -0.07 -2.89 -0.00 0.00 0.10 0.00 0.00 34.13 31.27 2wae s GLU 284 CO 0.00 0.68 -0.18 0.42 0.02 0.00 0.00 175.26 176.20 2wae s ILE 285 N -1.07 1.54 0.10 -1.63 1.09 -0.54 -1.38 121.20 119.31 2wae s ILE 285 Ca 0.19 -0.77 0.08 0.00 -1.10 0.00 0.00 60.65 59.05 2wae s ILE 285 Cb -0.12 -1.33 -0.04 0.00 -1.06 0.00 0.00 42.46 39.92 2wae s ILE 285 CO 0.09 0.44 -0.17 -1.00 -0.10 0.00 0.00 174.94 174.20 2wae s HIS 286 N 0.08 2.58 0.14 3.97 3.76 -1.25 -3.16 115.29 121.40 2wae s HIS 286 Ca -0.06 -0.24 0.08 0.00 -0.15 0.00 0.00 55.06 54.69 2wae s HIS 286 Cb -0.13 -1.38 -0.04 0.00 1.11 0.00 0.00 32.58 32.14 2wae s HIS 286 CO 0.03 0.37 -0.11 -0.51 -0.85 0.00 0.00 174.74 173.67 2wae s LEU 287 N -2.04 2.94 0.00 0.89 1.43 -1.19 -1.96 118.68 118.76 2wae s LEU 287 Ca 0.18 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 2wae s LEU 287 Cb -0.11 -1.70 0.00 0.00 0.03 0.00 0.00 46.19 44.42 2wae s LEU 287 CO 0.10 0.15 0.00 -0.90 0.23 0.00 0.00 176.35 175.92 2wae n ASP 288 N 0.43 0.00 -0.03 2.29 5.68 -1.13 -3.72 116.55 120.07 2wae n ASP 288 Ca -0.13 0.00 -0.05 0.00 -0.50 0.00 0.00 54.79 54.11 2wae n ASP 288 Cb 0.54 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.50 2wae n ASP 288 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 2wae n LYS 289 N 0.00 0.29 0.19 0.11 2.85 -1.26 -4.69 118.16 115.65 2wae n LYS 289 Ca 0.00 0.12 0.06 0.00 -1.05 0.00 0.00 58.31 57.43 2wae n LYS 289 Cb 0.00 -0.99 0.38 0.00 -0.65 0.00 0.00 35.03 33.77 2wae n LYS 289 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2wae h HIS 290 N -0.55 0.00 0.00 5.58 3.86 -2.04 -3.46 115.15 118.54 2wae h HIS 290 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2wae h HIS 290 Cb 0.55 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.02 2wae h HIS 290 CO -0.24 0.36 0.00 0.41 0.86 0.00 0.00 177.93 179.33 2wae n GLY 291 N 0.01 1.86 3.92 2.45 0.00 -1.26 -5.14 105.19 107.03 2wae n GLY 291 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 2wae n GLY 291 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wae s ASP 292 N -2.00 6.41 0.02 1.61 1.01 -1.26 -4.80 116.67 117.66 2wae s ASP 292 Ca 0.00 0.47 -0.30 0.00 0.71 0.00 0.00 52.55 53.42 2wae s ASP 292 Cb 0.00 -2.04 -0.07 0.00 1.01 0.00 0.00 42.92 41.82 2wae s ASP 292 CO 0.00 -0.04 1.69 -0.32 0.21 0.00 0.00 175.17 176.71 2wae s MET 293 N -3.22 4.19 -0.18 8.23 -2.45 -1.26 -2.83 119.30 121.78 2wae s MET 293 Ca 0.39 2.31 -0.15 0.00 -1.25 0.00 0.00 55.69 56.99 2wae s MET 293 Cb -0.11 -3.82 -0.11 0.00 1.25 0.00 0.00 34.83 32.04 2wae s MET 293 CO 0.28 -0.80 -0.01 0.39 1.05 0.00 0.00 175.02 175.93 2wae n GLU 294 N 6.42 0.51 -3.55 4.11 1.02 -0.83 -4.97 120.64 123.35 2wae n GLU 294 Ca 0.17 0.54 -0.11 0.00 -0.02 0.00 0.00 57.16 57.74 2wae n GLU 294 Cb 0.41 -1.71 -0.03 0.00 -0.02 0.00 0.00 31.44 30.10 2wae n GLU 294 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2wae s SER 295 N -6.31 -0.42 -0.56 1.62 1.04 -1.26 -5.07 113.70 102.74 2wae s SER 295 Ca -0.22 -0.20 -0.02 0.00 0.48 0.00 0.00 55.95 55.99 2wae s SER 295 Cb 0.04 0.58 0.15 0.00 0.10 0.00 0.00 66.02 66.88 2wae s SER 295 CO 0.40 -0.98 0.36 0.54 0.98 0.00 0.00 173.24 174.54 2wae s VAL 296 N -3.79 3.49 0.22 5.02 0.11 -1.26 -3.88 120.40 120.30 2wae s VAL 296 Ca 0.03 -2.78 -0.08 0.00 -2.93 0.00 0.00 61.98 56.23 2wae s VAL 296 Cb -0.01 -3.32 -0.06 0.00 -1.53 0.00 0.00 36.38 31.46 2wae s VAL 296 CO -0.10 -0.82 0.51 -1.83 -3.33 0.00 0.00 175.10 169.53 2wae s GLU 297 N 0.20 3.73 -0.07 1.54 -1.05 -0.48 -4.93 118.70 117.65 2wae s GLU 297 Ca 0.15 0.14 -0.03 0.00 -0.15 0.00 0.00 54.97 55.08 2wae s GLU 297 Cb -0.21 -2.70 -0.04 0.00 -0.44 0.00 0.00 34.13 30.74 2wae s GLU 297 CO -0.03 0.34 0.09 -0.80 0.95 0.00 0.00 175.26 175.80 2wae s ASN 298 N -2.50 5.84 -0.06 0.83 -0.87 -1.26 0.69 114.94 117.61 2wae s ASN 298 Ca 0.45 0.27 -0.09 0.00 -1.57 0.00 0.00 52.86 51.92 2wae s ASN 298 Cb -0.11 -1.76 -0.04 0.00 -0.02 0.00 0.00 41.25 39.32 2wae s ASN 298 CO 0.23 0.35 -0.19 -0.38 -2.57 0.00 0.00 177.10 174.54 2wae n ILE 299 N 1.71 1.31 -4.27 0.60 5.41 0.27 -4.86 119.36 119.54 2wae n ILE 299 Ca -0.17 0.20 -0.19 0.00 1.00 0.00 0.00 62.75 63.60 2wae n ILE 299 Cb 0.54 -1.96 -0.15 0.00 -0.71 0.00 0.00 39.64 37.35 2wae n ILE 299 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 2wae s GLU 300 N -2.46 0.72 -0.04 0.38 2.02 -0.97 -4.93 118.70 113.41 2wae s GLU 300 Ca -0.16 -0.23 -0.18 0.00 0.02 0.00 0.00 54.97 54.42 2wae s GLU 300 Cb 0.03 -0.70 -0.05 0.00 0.10 0.00 0.00 34.13 33.51 2wae s GLU 300 CO 0.24 0.09 0.50 -2.00 0.02 0.00 0.00 175.26 174.10 2wae s GLU 301 N 0.18 4.21 0.41 1.61 2.12 -1.26 0.93 118.70 126.90 2wae s GLU 301 Ca -0.02 0.54 -0.16 0.00 0.36 0.00 0.00 54.97 55.69 2wae s GLU 301 Cb -0.07 -3.33 -0.09 0.00 0.26 0.00 0.00 34.13 30.90 2wae s GLU 301 CO 0.00 0.40 0.86 0.20 -0.54 0.00 0.00 175.26 176.18 2wae s GLY 302 N -0.22 2.22 0.15 -1.50 0.00 -1.26 -4.63 107.32 102.08 2wae s GLY 302 Ca 0.27 0.13 -0.01 0.00 0.00 0.00 0.00 44.72 45.11 2wae s GLY 302 CO 0.14 0.36 0.07 -1.35 0.00 0.00 0.00 173.10 172.33 2wae s SER 303 N -2.59 0.29 0.44 1.64 1.04 -1.03 -4.86 113.70 108.64 2wae s SER 303 Ca 0.57 -1.26 -0.24 0.00 0.48 0.00 0.00 55.95 55.51 2wae s SER 303 Cb -0.10 0.31 -0.08 0.00 0.10 0.00 0.00 66.02 66.26 2wae s SER 303 CO 0.22 -0.75 1.16 -0.75 0.98 0.00 0.00 173.24 174.10 2wae s LYS 304 N -4.07 3.85 0.76 4.02 2.20 -1.26 -2.24 119.74 122.99 2wae s LYS 304 Ca 0.28 1.79 -0.15 0.00 -0.36 0.00 0.00 55.97 57.53 2wae s LYS 304 Cb 0.07 -2.48 0.02 0.00 -1.51 0.00 0.00 37.83 33.93 2wae s LYS 304 CO 0.05 -0.48 0.92 0.41 -0.36 0.00 0.00 175.35 175.89 2wae n GLY 305 N 0.49 -0.60 3.78 5.54 0.00 0.11 -4.59 105.19 109.93 2wae n GLY 305 Ca 0.06 -0.41 -0.34 0.00 0.00 0.00 0.00 46.02 45.33 2wae n GLY 305 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wae s LYS 306 N -3.48 3.45 0.33 1.61 -0.14 -1.05 -3.82 119.74 116.64 2wae s LYS 306 Ca 0.71 1.47 -0.03 0.00 -1.36 0.00 0.00 55.97 56.76 2wae s LYS 306 Cb -0.32 -2.03 -0.04 0.00 -1.68 0.00 0.00 37.83 33.75 2wae s LYS 306 CO 0.53 -0.74 0.57 -0.80 -0.76 0.00 0.00 175.35 174.15 2wae s ASN 307 N -2.00 6.37 -0.05 2.83 -0.87 0.19 -4.24 114.94 117.16 2wae s ASN 307 Ca 0.70 0.63 0.05 0.00 -1.57 0.00 0.00 52.86 52.67 2wae s ASN 307 Cb -0.20 -2.11 -0.01 0.00 -0.02 0.00 0.00 41.25 38.91 2wae s ASN 307 CO 0.27 -0.27 -0.22 0.27 -2.57 0.00 0.00 177.10 174.58 2wae s ILE 308 N -2.23 1.81 -0.12 0.60 -4.36 -0.95 0.81 121.20 116.76 2wae s ILE 308 Ca 0.43 -0.93 -0.04 0.00 -0.26 0.00 0.00 60.65 59.84 2wae s ILE 308 Cb -0.10 -1.54 -0.03 0.00 1.25 0.00 0.00 42.46 42.03 2wae s ILE 308 CO 0.34 0.51 0.01 -0.75 0.24 0.00 0.00 174.94 175.29 2wae s LYS 309 N -0.11 3.37 0.66 0.37 2.20 -0.83 -1.50 119.74 123.90 2wae s LYS 309 Ca -0.03 -0.40 -0.08 0.00 -0.36 0.00 0.00 55.97 55.10 2wae s LYS 309 Cb -0.13 -2.93 0.03 0.00 -1.51 0.00 0.00 37.83 33.29 2wae s LYS 309 CO 0.03 0.52 1.00 -0.51 -0.36 0.00 0.00 175.35 176.03 2wae s LEU 310 N -0.36 3.00 0.02 5.43 1.43 0.99 0.40 118.68 129.59 2wae s LEU 310 Ca 0.07 0.77 0.26 0.00 -1.03 0.00 0.00 54.13 54.21 2wae s LEU 310 Cb -0.12 -3.53 0.69 0.00 0.03 0.00 0.00 46.19 43.26 2wae s LEU 310 CO 0.02 -1.32 1.55 0.35 0.23 0.00 0.00 176.35 177.18 2wae n THR 311 N -2.82 0.04 -3.33 5.49 -2.24 0.72 -3.50 114.28 108.64 2wae n THR 311 Ca 0.06 -0.03 -0.38 0.00 -2.27 0.00 0.00 64.05 61.43 2wae n THR 311 Cb 0.58 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.76 2wae n THR 311 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2wae s ILE 312 N -3.02 5.04 -0.26 2.28 1.01 -1.20 -4.58 121.20 120.46 2wae s ILE 312 Ca 0.11 1.02 -0.11 0.00 0.00 0.00 0.00 60.65 61.68 2wae s ILE 312 Cb 0.17 -3.83 -0.05 0.00 0.01 0.00 0.00 42.46 38.77 2wae s ILE 312 CO 0.66 0.43 0.18 -0.62 0.00 0.00 0.00 174.94 175.58 2wae s ASP 313 N -0.16 6.03 0.23 3.58 -1.08 -1.26 -0.77 116.67 123.24 2wae s ASP 313 Ca 0.27 0.03 -0.11 0.00 -0.52 0.00 0.00 52.55 52.22 2wae s ASP 313 Cb -0.17 -2.11 0.32 0.00 -1.46 0.00 0.00 42.92 39.50 2wae s ASP 313 CO 0.14 -0.01 1.61 -0.07 0.52 0.00 0.00 175.17 177.36 2wae h LEU 314 N 8.05 -0.64 -0.35 -1.34 4.07 -1.96 -0.62 115.31 122.53 2wae h LEU 314 Ca -0.36 0.22 0.07 0.00 0.08 0.00 0.00 57.88 57.89 2wae h LEU 314 Cb 1.18 0.44 -0.06 0.00 1.08 0.00 0.00 40.66 43.30 2wae h LEU 314 CO 0.59 -0.24 -0.07 0.00 -1.08 0.00 0.00 178.44 177.64 2wae h ALA 315 N 1.73 0.25 -0.27 1.53 0.00 -1.99 0.29 119.26 120.80 2wae h ALA 315 Ca 0.36 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.36 2wae h ALA 315 Cb 0.57 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2wae h ALA 315 CO -0.74 -0.45 0.01 0.35 0.00 0.00 0.00 179.25 178.41 2wae h PHE 316 N 0.01 0.51 -0.50 0.00 3.57 -1.56 -2.26 116.94 116.72 2wae h PHE 316 Ca 0.17 -0.08 0.05 0.00 3.53 0.00 0.00 57.97 61.64 2wae h PHE 316 Cb 0.25 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 38.81 2wae h PHE 316 CO -0.31 0.61 0.23 0.37 -2.23 0.00 0.00 178.31 176.98 2wae h GLN 317 N 0.25 0.43 -0.75 1.11 5.75 -0.89 -1.46 115.11 119.56 2wae h GLN 317 Ca 0.08 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.55 2wae h GLN 317 Cb 0.41 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.82 2wae h GLN 317 CO 0.01 0.29 0.48 -0.44 -2.65 0.00 0.00 178.83 176.52 2wae h ASP 318 N 0.45 0.88 1.11 -0.69 3.32 -0.79 -1.39 116.42 119.30 2wae h ASP 318 Ca 0.22 -0.03 -0.10 0.00 0.02 0.00 0.00 57.03 57.14 2wae h ASP 318 Cb 0.17 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 2wae h ASP 318 CO -0.18 0.65 -0.48 0.77 -1.72 0.00 0.00 179.24 178.28 2wae h SER 319 N 1.03 0.00 -0.03 6.45 4.64 -0.70 -1.83 113.55 123.10 2wae h SER 319 Ca 0.27 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.40 2wae h SER 319 Cb -0.09 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.02 2wae h SER 319 CO -0.06 0.48 -0.74 0.58 -0.87 0.00 0.00 176.83 176.22 2wae h VAL 320 N 0.00 1.36 -0.67 0.95 2.07 -0.81 -2.73 116.25 116.42 2wae h VAL 320 Ca -0.00 -2.08 0.08 0.00 0.82 0.00 0.00 66.70 65.51 2wae h VAL 320 Cb 1.16 2.43 -0.07 0.00 -1.52 0.00 0.00 31.29 33.29 2wae h VAL 320 CO 0.06 0.63 0.33 0.44 0.02 0.00 0.00 177.57 179.05 2wae h ASP 321 N 0.13 0.43 0.04 0.57 3.45 -1.09 -0.66 116.42 119.30 2wae h ASP 321 Ca -0.08 0.06 -0.08 0.00 0.43 0.00 0.00 57.03 57.35 2wae h ASP 321 Cb 1.42 -0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 40.15 2wae h ASP 321 CO 0.15 0.26 -0.24 0.00 -1.57 0.00 0.00 179.24 177.83 2wae h ALA 322 N 1.40 1.25 -0.11 3.45 0.00 -1.35 -1.31 119.26 122.59 2wae h ALA 322 Ca 0.32 -0.31 -0.24 0.00 0.00 0.00 0.00 54.91 54.69 2wae h ALA 322 Cb 0.32 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.02 2wae h ALA 322 CO -0.25 0.50 -0.86 1.25 0.00 0.00 0.00 179.25 179.88 2wae h LEU 323 N 0.31 0.95 -0.48 0.00 5.85 -1.07 -1.73 115.31 119.13 2wae h LEU 323 Ca 0.05 -0.66 -0.03 0.00 0.84 0.00 0.00 57.88 58.07 2wae h LEU 323 Cb 0.60 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 2wae h LEU 323 CO 0.04 1.46 0.17 -0.07 -0.34 0.00 0.00 178.44 179.70 2wae h LEU 324 N 0.50 0.68 -1.10 2.25 4.07 -0.98 -1.20 115.31 119.54 2wae h LEU 324 Ca -0.08 -0.19 -0.05 0.00 0.08 0.00 0.00 57.88 57.64 2wae h LEU 324 Cb 1.50 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 43.04 2wae h LEU 324 CO 0.18 0.68 0.09 0.50 -1.08 0.00 0.00 178.44 178.81 2wae h LYS 325 N 0.63 0.73 -0.15 1.13 3.64 -1.15 0.18 116.57 121.57 2wae h LYS 325 Ca 0.16 -0.15 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 2wae h LYS 325 Cb 0.23 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 2wae h LYS 325 CO -0.01 0.68 -0.02 1.03 -2.27 0.00 0.00 179.45 178.86 2wae h SER 326 N 0.70 0.29 -0.37 4.20 0.87 -1.07 -0.51 113.55 117.66 2wae h SER 326 Ca 0.15 -0.35 -0.15 0.00 -1.23 0.00 0.00 61.79 60.21 2wae h SER 326 Cb 0.30 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 2wae h SER 326 CO 0.00 0.57 -0.37 1.88 -0.53 0.00 0.00 176.83 178.38 2wae h TYR 327 N 0.00 1.07 -0.06 2.24 0.05 -1.00 -2.67 116.97 116.61 2wae h TYR 327 Ca 0.04 -0.32 0.00 0.00 0.05 0.00 0.00 58.73 58.50 2wae h TYR 327 Cb 0.43 -0.23 -0.00 0.00 1.01 0.00 0.00 36.73 37.95 2wae h TYR 327 CO 0.05 1.14 0.04 0.35 -1.05 0.00 0.00 178.16 178.69 2wae h PHE 328 N 0.70 0.08 -0.84 4.88 3.57 -0.48 -1.85 116.94 123.01 2wae h PHE 328 Ca 0.06 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.57 2wae h PHE 328 Cb 0.96 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.63 2wae h PHE 328 CO 0.07 0.06 0.56 -0.91 -2.23 0.00 0.00 178.31 175.85 2wae h ASN 329 N 0.08 0.95 -0.26 0.41 2.35 -1.13 0.17 115.58 118.16 2wae h ASN 329 Ca 0.02 -0.02 0.04 0.00 -0.55 0.00 0.00 56.30 55.80 2wae h ASN 329 Cb -0.00 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.09 2wae h ASN 329 CO -0.01 0.68 0.00 -1.28 -1.65 0.00 0.00 177.43 175.18 2wae h SER 330 N 1.12 -0.10 0.68 5.81 0.87 -1.16 0.32 113.55 121.08 2wae h SER 330 Ca 0.31 0.06 -0.13 0.00 -1.23 0.00 0.00 61.79 60.80 2wae h SER 330 Cb -0.10 0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 2wae h SER 330 CO -0.07 -0.02 -0.60 -0.33 -0.53 0.00 0.00 176.83 175.28 2wae h GLU 331 N 0.08 0.00 -0.14 2.24 4.39 -0.63 -2.17 114.58 118.35 2wae h GLU 331 Ca 0.12 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.73 2wae h GLU 331 Cb 0.16 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 2wae h GLU 331 CO -0.20 0.60 -0.27 1.25 -1.16 0.00 0.00 179.01 179.23 2wae h LEU 332 N 0.00 0.48 -0.90 1.33 5.85 -0.13 -1.54 115.31 120.40 2wae h LEU 332 Ca -0.01 -0.55 0.04 0.00 0.84 0.00 0.00 57.88 58.20 2wae h LEU 332 Cb 1.10 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.94 2wae h LEU 332 CO 0.08 0.94 0.58 1.23 -0.34 0.00 0.00 178.44 180.93 2wae h GLY 333 N 0.04 1.31 0.50 3.75 0.00 -0.22 -2.20 103.07 106.25 2wae h GLY 333 Ca 0.01 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.89 2wae h GLY 333 CO 0.06 0.38 -0.05 1.16 0.00 0.00 0.00 176.54 178.09 2wae n ASN 334 N -4.52 0.67 0.00 0.19 0.23 -0.83 -4.91 115.26 106.08 2wae n ASN 334 Ca 0.12 -0.98 0.00 0.00 -0.53 0.00 0.00 54.58 53.18 2wae n ASN 334 Cb 0.09 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 37.77 2wae n ASN 334 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wae n GLY 335 N 1.17 1.88 0.27 4.83 0.00 -0.83 -4.93 105.19 107.58 2wae n GLY 335 Ca 0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.31 2wae n GLY 335 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2wae h GLY 336 N 0.00 0.00 -1.88 -0.02 0.00 -1.57 -3.01 103.07 96.59 2wae h GLY 336 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2wae h GLY 336 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 2wae n ALA 337 N -2.40 2.99 -0.35 3.60 0.00 -0.67 -1.58 120.51 122.10 2wae n ALA 337 Ca -0.03 -2.05 0.10 0.00 0.00 0.00 0.00 53.44 51.46 2wae n ALA 337 Cb 0.15 -0.74 0.28 0.00 0.00 0.00 0.00 19.45 19.14 2wae n ALA 337 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2wae h LYS 338 N 2.25 0.86 -0.19 0.00 3.64 -1.78 -2.04 116.57 119.30 2wae h LYS 338 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2wae h LYS 338 Cb 1.41 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2wae h LYS 338 CO 0.22 0.57 0.00 0.66 -2.27 0.00 0.00 179.45 178.64 2wae n TYR 339 N -4.65 0.62 -2.92 1.91 4.01 -1.26 -4.99 117.16 109.88 2wae n TYR 339 Ca 0.20 -0.86 -0.40 0.00 -0.16 0.00 0.00 57.90 56.68 2wae n TYR 339 Cb 0.43 -0.24 -0.05 0.00 -0.31 0.00 0.00 39.34 39.18 2wae n TYR 339 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2wae s SER 340 N -2.04 7.26 0.39 7.72 0.15 -0.77 -4.88 113.70 121.53 2wae s SER 340 Ca 0.36 1.51 0.21 0.00 0.70 0.00 0.00 55.95 58.73 2wae s SER 340 Cb 0.29 -2.49 0.61 0.00 -1.71 0.00 0.00 66.02 62.72 2wae s SER 340 CO 0.08 -0.03 1.69 -0.33 1.20 0.00 0.00 173.24 175.85 2wae h GLU 341 N 5.80 0.00 0.00 5.44 3.07 -1.81 -3.42 114.58 123.66 2wae h GLU 341 Ca -0.43 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.43 2wae h GLU 341 Cb 1.21 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.12 2wae h GLU 341 CO 0.72 0.29 0.00 0.41 -1.40 0.00 0.00 179.01 179.03 2wae n GLY 342 N 0.55 -0.53 3.17 -3.84 0.00 -1.26 0.46 105.19 103.75 2wae n GLY 342 Ca 0.01 -1.08 -0.12 0.00 0.00 0.00 0.00 46.02 44.83 2wae n GLY 342 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wae s VAL 343 N -3.00 -0.01 0.03 1.61 0.11 -0.92 -4.09 120.40 114.13 2wae s VAL 343 Ca 0.00 0.04 0.03 0.00 -2.93 0.00 0.00 61.98 59.13 2wae s VAL 343 Cb 0.00 -0.44 -0.02 0.00 -1.53 0.00 0.00 36.38 34.39 2wae s VAL 343 CO 0.00 0.02 -0.10 -0.31 -3.33 0.00 0.00 175.10 171.38 2wae s TYR 344 N 0.57 0.84 -0.10 1.54 2.02 -0.17 -1.26 117.35 120.80 2wae s TYR 344 Ca -0.03 -0.37 -0.06 0.00 -0.37 0.00 0.00 57.07 56.24 2wae s TYR 344 Cb -0.05 -0.50 0.04 0.00 -0.40 0.00 0.00 41.96 41.05 2wae s TYR 344 CO -0.03 -0.02 0.24 0.00 -1.57 0.00 0.00 175.55 174.16 2wae s ALA 345 N -0.96 -0.55 -0.08 3.71 0.00 -0.35 0.08 121.76 123.62 2wae s ALA 345 Ca -0.03 0.89 0.02 0.00 0.00 0.00 0.00 51.96 52.84 2wae s ALA 345 Cb -0.08 -0.56 0.01 0.00 0.00 0.00 0.00 23.12 22.50 2wae s ALA 345 CO 0.01 -0.17 -0.14 0.08 0.00 0.00 0.00 175.76 175.53 2wae s VAL 346 N 0.96 1.32 -0.13 0.00 1.01 -0.46 -1.06 120.40 122.05 2wae s VAL 346 Ca -0.07 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.36 2wae s VAL 346 Cb -0.08 -1.20 0.00 0.00 0.00 0.00 0.00 36.38 35.10 2wae s VAL 346 CO -0.06 0.40 -0.21 0.00 0.00 0.00 0.00 175.10 175.23 2wae s ALA 347 N 0.73 2.29 0.29 5.51 0.00 -0.59 -0.97 121.76 129.03 2wae s ALA 347 Ca -0.13 -1.02 0.11 0.00 0.00 0.00 0.00 51.96 50.92 2wae s ALA 347 Cb -0.16 -0.98 -0.05 0.00 0.00 0.00 0.00 23.12 21.93 2wae s ALA 347 CO 0.03 0.12 -0.18 -0.51 0.00 0.00 0.00 175.76 175.22 2wae s LEU 348 N 0.59 2.62 -0.38 0.00 1.43 0.33 -0.78 118.68 122.50 2wae s LEU 348 Ca -0.12 -1.07 -0.15 0.00 -1.03 0.00 0.00 54.13 51.77 2wae s LEU 348 Cb -0.16 -1.07 0.00 0.00 0.03 0.00 0.00 46.19 44.99 2wae s LEU 348 CO 0.03 -0.02 0.31 0.21 0.23 0.00 0.00 176.35 177.11 2wae s ASN 349 N -3.53 6.12 0.31 2.29 3.84 0.45 -1.28 114.94 123.15 2wae s ASN 349 Ca 0.30 -0.59 0.26 0.00 0.21 0.00 0.00 52.86 53.04 2wae s ASN 349 Cb -0.03 -2.17 0.84 0.00 -0.55 0.00 0.00 41.25 39.34 2wae s ASN 349 CO 0.15 -0.38 1.76 1.55 -2.79 0.00 0.00 177.10 177.39 2wae h PRO 350 N 8.57 0.00 0.00 0.43 0.13 -1.86 0.84 132.00 140.11 2wae h PRO 350 Ca -0.29 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.66 2wae h PRO 350 Cb 1.14 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 2wae h PRO 350 CO 0.70 0.00 -0.84 1.96 -0.23 0.00 0.00 178.00 179.59 2wae h GLN 351 N 0.00 0.00 0.00 0.86 4.20 -1.90 -3.41 115.11 114.86 2wae h GLN 351 Ca 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2wae h GLN 351 Cb 0.66 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.45 2wae h GLN 351 CO 0.00 0.84 -0.92 0.25 -0.67 0.00 0.00 178.83 178.33 2wae n THR 352 N -3.54 0.00 -0.37 -0.54 -2.24 -0.98 -5.01 114.28 101.59 2wae n THR 352 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2wae n THR 352 Cb 0.80 -0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 2wae n THR 352 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wae n GLY 353 N 2.62 0.71 3.76 3.38 0.00 0.29 -4.59 105.19 111.36 2wae n GLY 353 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2wae n GLY 353 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wae s ALA 354 N -2.59 3.61 -0.29 4.61 0.00 -1.23 -1.69 121.76 124.19 2wae s ALA 354 Ca 0.00 1.44 -0.24 0.00 0.00 0.00 0.00 51.96 53.16 2wae s ALA 354 Cb 0.00 -3.58 -0.00 0.00 0.00 0.00 0.00 23.12 19.54 2wae s ALA 354 CO 0.00 -0.86 0.81 0.08 0.00 0.00 0.00 175.76 175.79 2wae s VAL 355 N -0.54 4.79 -0.10 0.00 1.01 -0.80 -0.41 120.40 124.36 2wae s VAL 355 Ca 0.56 1.32 -0.01 0.00 0.00 0.00 0.00 61.98 63.85 2wae s VAL 355 Cb -0.44 -4.15 -0.25 0.00 0.00 0.00 0.00 36.38 31.54 2wae s VAL 355 CO 0.52 -0.21 0.46 0.18 0.00 0.00 0.00 175.10 176.04 2wae n LEU 356 N 6.19 2.12 -3.55 3.92 4.77 0.04 -3.26 117.00 127.22 2wae n LEU 356 Ca 0.05 0.27 -0.16 0.00 -0.03 0.00 0.00 56.01 56.13 2wae n LEU 356 Cb 0.48 -0.74 -0.06 0.00 -2.33 0.00 0.00 43.42 40.76 2wae n LEU 356 CO 0.50 0.72 0.47 -0.94 -1.33 0.00 0.00 177.39 176.80 2wae s SER 357 N -6.76 -0.65 -0.32 -1.43 1.04 -1.06 -4.31 113.70 100.20 2wae s SER 357 Ca -0.17 0.85 0.00 0.00 0.48 0.00 0.00 55.95 57.11 2wae s SER 357 Cb 0.07 0.72 0.10 0.00 0.10 0.00 0.00 66.02 67.01 2wae s SER 357 CO 0.79 -0.51 0.10 0.00 0.98 0.00 0.00 173.24 174.60 2wae s MET 358 N -0.83 0.86 0.05 4.02 0.23 -1.26 -1.54 119.30 120.83 2wae s MET 358 Ca -0.08 -1.25 0.05 0.00 -1.03 0.00 0.00 55.69 53.39 2wae s MET 358 Cb -0.01 -2.20 -0.04 0.00 -1.53 0.00 0.00 34.83 31.06 2wae s MET 358 CO 0.07 -0.99 -0.10 -1.12 -2.03 0.00 0.00 175.02 170.86 2wae s SER 359 N 1.44 4.40 -0.09 -1.18 0.01 -0.22 -4.65 113.70 113.41 2wae s SER 359 Ca 0.10 -0.29 -0.18 0.00 1.31 0.00 0.00 55.95 56.90 2wae s SER 359 Cb -0.18 -0.91 0.04 0.00 0.21 0.00 0.00 66.02 65.19 2wae s SER 359 CO -0.21 0.23 0.43 -0.83 0.41 0.00 0.00 173.24 173.27 2wae s GLY 360 N -1.77 -0.30 -0.14 3.44 0.00 -1.25 -1.21 107.32 106.09 2wae s GLY 360 Ca 0.19 0.91 -0.01 0.00 0.00 0.00 0.00 44.72 45.80 2wae s GLY 360 CO 0.10 0.69 -0.04 -2.27 0.00 0.00 0.00 173.10 171.58 2wae s LEU 361 N -0.60 1.26 -0.13 0.66 2.96 -0.39 -1.15 118.68 121.29 2wae s LEU 361 Ca -0.07 -0.48 -0.18 0.00 -0.22 0.00 0.00 54.13 53.18 2wae s LEU 361 Cb -0.03 -0.77 -0.04 0.00 0.50 0.00 0.00 46.19 45.85 2wae s LEU 361 CO 0.04 -0.18 0.47 -0.75 -1.32 0.00 0.00 176.35 174.60 2wae s LYS 362 N 1.74 4.33 -0.26 1.98 2.20 0.13 -2.16 119.74 127.70 2wae s LYS 362 Ca 0.02 0.43 -0.06 0.00 -0.36 0.00 0.00 55.97 56.01 2wae s LYS 362 Cb -0.14 -3.44 -0.00 0.00 -1.51 0.00 0.00 37.83 32.73 2wae s LYS 362 CO -0.07 0.14 0.03 -1.58 -0.36 0.00 0.00 175.35 173.50 2wae s HIS 363 N 0.69 3.07 -0.17 4.03 5.65 0.17 -1.62 115.29 127.11 2wae s HIS 363 Ca 0.25 -0.88 -0.29 0.00 0.25 0.00 0.00 55.06 54.39 2wae s HIS 363 Cb -0.15 -2.19 -0.01 0.00 -1.18 0.00 0.00 32.58 29.06 2wae s HIS 363 CO 0.10 -0.53 1.15 0.34 -0.65 0.00 0.00 174.74 175.15 2wae s ASP 364 N 1.51 7.04 0.00 9.88 -1.08 -0.36 -4.58 116.67 129.08 2wae s ASP 364 Ca 0.04 1.57 0.25 0.00 -0.52 0.00 0.00 52.55 53.89 2wae s ASP 364 Cb -0.16 -2.54 1.20 0.00 -1.46 0.00 0.00 42.92 39.96 2wae s ASP 364 CO 0.00 -0.68 1.82 0.18 0.52 0.00 0.00 175.17 177.01 2wae n LEU 365 N 6.22 0.00 -0.10 -1.34 4.77 -1.26 -0.69 117.00 124.60 2wae n LEU 365 Ca 0.12 0.34 -0.17 0.00 -0.03 0.00 0.00 56.01 56.27 2wae n LEU 365 Cb 0.46 -0.34 -0.08 0.00 -2.33 0.00 0.00 43.42 41.13 2wae n LEU 365 CO 0.54 -0.06 -1.18 0.29 -1.33 0.00 0.00 177.39 175.65 2wae n LYS 366 N -1.34 0.47 -0.10 3.23 5.02 -1.26 -4.72 118.16 119.47 2wae n LYS 366 Ca 0.10 0.15 -0.18 0.00 -2.02 0.00 0.00 58.31 56.37 2wae n LYS 366 Cb 0.22 -1.33 -0.13 0.00 -0.02 0.00 0.00 35.03 33.77 2wae n LYS 366 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2wae n THR 367 N -3.44 1.54 0.00 -0.18 -2.24 -1.25 -5.03 114.28 103.69 2wae n THR 367 Ca -0.38 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 60.78 2wae n THR 367 Cb 0.84 -1.38 0.00 0.00 -2.10 0.00 0.00 70.33 67.69 2wae n THR 367 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wae n GLY 368 N 2.13 0.78 3.77 3.38 0.00 0.13 -5.05 105.19 110.34 2wae n GLY 368 Ca -0.41 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.24 2wae n GLY 368 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wae s GLU 369 N -0.47 3.81 -0.21 1.61 2.12 -1.26 -4.54 118.70 119.77 2wae s GLU 369 Ca 0.00 1.82 -0.09 0.00 0.36 0.00 0.00 54.97 57.06 2wae s GLU 369 Cb 0.00 -2.47 -0.05 0.00 0.26 0.00 0.00 34.13 31.87 2wae s GLU 369 CO 0.00 -0.52 0.12 -0.51 -0.54 0.00 0.00 175.26 173.80 2wae s LEU 370 N -2.91 4.05 0.02 2.70 1.43 -1.26 -1.22 118.68 121.49 2wae s LEU 370 Ca 0.62 0.14 0.02 0.00 -1.03 0.00 0.00 54.13 53.88 2wae s LEU 370 Cb -0.30 -2.05 -0.01 0.00 0.03 0.00 0.00 46.19 43.85 2wae s LEU 370 CO 0.37 0.14 -0.08 0.42 0.23 0.00 0.00 176.35 177.43 2wae s THR 371 N 0.60 0.57 0.54 5.49 -4.23 -0.64 -4.98 115.64 112.99 2wae s THR 371 Ca 0.06 -0.67 -0.22 0.00 -1.18 0.00 0.00 61.69 59.68 2wae s THR 371 Cb -0.12 -0.55 -0.05 0.00 1.34 0.00 0.00 72.50 73.12 2wae s THR 371 CO 0.01 -0.09 1.34 -2.16 -0.54 0.00 0.00 174.62 173.17 2wae s PRO 372 N -0.84 3.16 -0.44 3.99 0.04 -1.26 0.22 135.00 139.86 2wae s PRO 372 Ca -0.03 2.19 0.07 0.00 0.04 0.00 0.00 61.00 63.28 2wae s PRO 372 Cb -0.06 -2.25 0.33 0.00 0.04 0.00 0.00 34.50 32.56 2wae s PRO 372 CO 0.00 -1.16 1.03 -3.47 0.04 0.00 0.00 177.00 173.44 2wae n ASP 373 N -1.03 -1.66 0.28 6.66 2.03 -0.30 -4.69 116.55 117.84 2wae n ASP 373 Ca 0.10 -3.55 0.13 0.00 0.52 0.00 0.00 54.79 51.99 2wae n ASP 373 Cb 0.45 1.38 0.83 0.00 -0.72 0.00 0.00 41.12 43.06 2wae n ASP 373 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 2wae h SER 374 N 3.01 0.00 0.99 1.67 4.64 -1.83 -0.88 113.55 121.15 2wae h SER 374 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 2wae h SER 374 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2wae h SER 374 CO 0.21 0.03 0.00 0.18 -0.87 0.00 0.00 176.83 176.39 2wae n LEU 375 N -3.90 0.14 0.24 5.97 4.77 -1.26 -2.83 117.00 120.13 2wae n LEU 375 Ca -0.03 0.52 0.08 0.00 -0.03 0.00 0.00 56.01 56.55 2wae n LEU 375 Cb 0.12 -0.48 0.61 0.00 -2.33 0.00 0.00 43.42 41.34 2wae n LEU 375 CO 0.29 -0.08 0.95 1.23 -1.33 0.00 0.00 177.39 178.45 2wae h GLY 376 N 4.50 0.00 2.00 -0.72 0.00 -1.55 -1.82 103.07 105.49 2wae h GLY 376 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 2wae h GLY 376 CO 0.00 0.00 -0.01 -0.91 0.00 0.00 0.00 176.54 175.62 2wae h THR 377 N 0.00 0.16 0.00 4.70 1.35 -1.68 -0.46 112.91 116.97 2wae h THR 377 Ca -0.00 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 2wae h THR 377 Cb 0.27 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 67.79 2wae h THR 377 CO 0.02 0.01 -0.31 1.33 -0.25 0.00 0.00 175.52 176.32 2wae n VAL 378 N -3.28 0.00 -0.01 6.82 0.24 -0.93 -1.15 118.33 120.01 2wae n VAL 378 Ca -0.02 -0.33 0.02 0.00 -2.04 0.00 0.00 64.34 61.97 2wae n VAL 378 Cb 0.12 0.84 -0.07 0.00 -1.47 0.00 0.00 33.84 33.25 2wae n VAL 378 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2wae n THR 379 N -1.12 0.16 -3.91 3.34 -2.24 -0.73 -1.79 114.28 107.98 2wae n THR 379 Ca 0.00 -0.26 -0.34 0.00 -2.27 0.00 0.00 64.05 61.18 2wae n THR 379 Cb 0.00 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.18 2wae n THR 379 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2wae s ASN 380 N -3.35 6.33 0.02 3.42 0.01 -0.19 -4.77 114.94 116.40 2wae s ASN 380 Ca -0.04 0.36 0.06 0.00 -0.71 0.00 0.00 52.86 52.54 2wae s ASN 380 Cb 0.05 -1.99 -0.03 0.00 0.41 0.00 0.00 41.25 39.69 2wae s ASN 380 CO 0.38 0.30 -0.17 0.68 -1.51 0.00 0.00 177.10 176.78 2wae s VAL 381 N -1.24 2.87 0.02 1.60 -7.23 -1.26 -4.10 120.40 111.05 2wae s VAL 381 Ca 0.24 -1.06 0.00 0.00 -1.81 0.00 0.00 61.98 59.35 2wae s VAL 381 Cb -0.12 -2.19 -0.02 0.00 0.56 0.00 0.00 36.38 34.62 2wae s VAL 381 CO 0.15 0.41 -0.02 -0.36 -0.31 0.00 0.00 175.10 174.96 2wae s PHE 382 N -0.88 0.21 0.17 2.82 0.08 0.73 -4.83 117.98 116.27 2wae s PHE 382 Ca 0.14 -0.40 -0.32 0.00 0.12 0.00 0.00 56.93 56.48 2wae s PHE 382 Cb -0.11 -0.15 -0.10 0.00 -0.57 0.00 0.00 43.02 42.09 2wae s PHE 382 CO 0.04 -0.14 1.61 0.14 -0.10 0.00 0.00 175.22 176.77 2wae s VAL 383 N -1.09 2.52 -0.17 -0.44 -7.23 -1.26 -0.96 120.40 111.77 2wae s VAL 383 Ca -0.12 0.35 0.16 0.00 -1.81 0.00 0.00 61.98 60.56 2wae s VAL 383 Cb -0.07 -3.23 0.06 0.00 0.56 0.00 0.00 36.38 33.69 2wae s VAL 383 CO -0.01 0.03 1.39 1.55 -0.31 0.00 0.00 175.10 177.75 2wae h PRO 384 N 6.92 0.00 0.00 4.82 0.13 -1.75 -3.48 132.00 138.64 2wae h PRO 384 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2wae h PRO 384 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2wae h PRO 384 CO 0.92 0.46 0.00 0.41 -0.23 0.00 0.00 178.00 179.56 2wae n GLY 385 N 1.24 0.10 0.00 1.56 0.00 -0.26 -4.05 105.19 103.78 2wae n GLY 385 Ca 0.01 -0.95 0.07 0.00 0.00 0.00 0.00 46.02 45.15 2wae n GLY 385 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wae n SER 386 N -1.52 0.00 0.15 1.61 7.64 -1.22 -3.19 113.62 117.10 2wae n SER 386 Ca 0.00 -0.41 0.13 0.00 1.01 0.00 0.00 58.87 59.60 2wae n SER 386 Cb 0.00 -0.01 0.49 0.00 -1.01 0.00 0.00 64.21 63.68 2wae n SER 386 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 2wae h VAL 387 N 0.00 0.00 -0.01 0.44 -1.51 -1.69 -2.74 116.25 110.73 2wae h VAL 387 Ca 0.00 -0.38 0.00 0.00 -1.23 0.00 0.00 66.70 65.09 2wae h VAL 387 Cb 0.00 1.23 0.00 0.00 -2.13 0.00 0.00 31.29 30.40 2wae h VAL 387 CO 0.00 0.00 -0.19 1.33 -1.23 0.00 0.00 177.57 177.48 2wae n VAL 388 N -2.44 0.00 -0.38 7.19 0.24 -1.19 -4.36 118.33 117.39 2wae n VAL 388 Ca 0.03 -0.13 0.32 0.00 -2.04 0.00 0.00 64.34 62.52 2wae n VAL 388 Cb 0.31 0.32 0.64 0.00 -1.47 0.00 0.00 33.84 33.63 2wae n VAL 388 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 2wae h LYS 389 N 1.24 0.16 -0.98 7.34 6.56 -1.75 0.08 116.57 129.23 2wae h LYS 389 Ca 0.00 -0.01 0.03 0.00 -1.06 0.00 0.00 60.65 59.61 2wae h LYS 389 Cb 0.47 -0.04 -0.05 0.00 -0.57 0.00 0.00 32.23 32.04 2wae h LYS 389 CO 0.00 0.11 0.64 0.00 -2.06 0.00 0.00 179.45 178.14 2wae h ALA 390 N 1.50 1.34 0.00 3.86 0.00 -1.86 -2.21 119.26 121.89 2wae h ALA 390 Ca 0.67 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.42 2wae h ALA 390 Cb 2.17 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 2wae h ALA 390 CO -0.22 0.58 -0.49 0.00 0.00 0.00 0.00 179.25 179.13 2wae h ALA 391 N 1.41 1.06 0.03 0.00 0.00 -1.30 -1.39 119.26 119.07 2wae h ALA 391 Ca 0.38 -0.45 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 2wae h ALA 391 Cb -0.06 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.66 2wae h ALA 391 CO -0.10 0.61 -0.38 1.15 0.00 0.00 0.00 179.25 180.53 2wae h THR 392 N 0.00 1.56 -0.92 0.00 2.02 -1.40 -2.38 112.91 111.80 2wae h THR 392 Ca -0.00 -2.16 0.09 0.00 0.77 0.00 0.00 66.41 65.11 2wae h THR 392 Cb 0.94 2.94 -0.07 0.00 -1.74 0.00 0.00 68.15 70.22 2wae h THR 392 CO 0.06 0.60 0.56 0.40 0.37 0.00 0.00 175.52 177.51 2wae h ILE 393 N -0.50 0.96 -0.83 3.11 2.04 -1.46 -2.19 117.51 118.64 2wae h ILE 393 Ca -0.06 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.48 2wae h ILE 393 Cb 1.19 -0.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 2wae h ILE 393 CO 0.07 0.17 0.52 0.28 0.00 0.00 0.00 178.15 179.20 2wae h SER 394 N 0.95 0.98 -0.54 1.72 0.02 -1.21 -1.89 113.55 113.57 2wae h SER 394 Ca 0.43 -0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 61.31 2wae h SER 394 Cb 0.35 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.61 2wae h SER 394 CO -0.23 0.73 0.23 -1.28 -1.14 0.00 0.00 176.83 175.14 2wae h SER 395 N 1.14 0.77 -0.60 3.07 0.87 -0.86 -2.01 113.55 115.92 2wae h SER 395 Ca 0.30 -0.10 0.01 0.00 -1.23 0.00 0.00 61.79 60.77 2wae h SER 395 Cb -0.08 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 61.65 2wae h SER 395 CO -0.06 0.70 0.40 1.23 -0.53 0.00 0.00 176.83 178.56 2wae h GLY 396 N 0.95 0.84 1.17 5.77 0.00 -0.85 -1.28 103.07 109.68 2wae h GLY 396 Ca 0.20 -0.31 -0.21 0.00 0.00 0.00 0.00 47.33 47.00 2wae h GLY 396 CO -0.02 0.31 -0.69 1.49 0.00 0.00 0.00 176.54 177.63 2wae h TRP 397 N 0.81 1.10 -0.01 5.60 6.55 -1.11 0.39 115.95 129.28 2wae h TRP 397 Ca 0.22 -0.45 -0.13 0.00 0.95 0.00 0.00 58.89 59.48 2wae h TRP 397 Cb -0.09 -0.18 -0.02 0.00 -0.86 0.00 0.00 29.16 28.01 2wae h TRP 397 CO -0.00 1.28 -0.60 0.93 -1.05 0.00 0.00 178.44 179.01 2wae h GLU 398 N 0.60 0.02 -0.62 0.49 5.08 -1.12 -3.08 114.58 115.95 2wae h GLU 398 Ca -0.03 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2wae h GLU 398 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 2wae h GLU 398 CO 0.15 0.61 0.00 0.09 -1.00 0.00 0.00 179.01 178.86 2wae n ASN 399 N -3.84 5.37 -3.32 1.42 3.02 -0.50 -4.94 115.26 112.47 2wae n ASN 399 Ca -0.01 -2.74 -0.24 0.00 -0.03 0.00 0.00 54.58 51.56 2wae n ASN 399 Cb 0.60 -0.65 0.05 0.00 -0.61 0.00 0.00 39.78 39.17 2wae n ASN 399 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wae n GLY 400 N 0.83 -0.53 0.12 7.41 0.00 -1.13 -4.90 105.19 106.99 2wae n GLY 400 Ca 0.27 0.19 -0.17 0.00 0.00 0.00 0.00 46.02 46.31 2wae n GLY 400 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wae n VAL 401 N -4.72 1.55 -4.43 1.61 0.31 0.13 -4.97 118.33 107.82 2wae n VAL 401 Ca -0.05 -0.65 -0.30 0.00 -0.01 0.00 0.00 64.34 63.33 2wae n VAL 401 Cb 0.59 -1.33 -0.12 0.00 -0.91 0.00 0.00 33.84 32.07 2wae n VAL 401 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2wae s LEU 402 N -6.47 2.61 -0.23 7.52 1.43 -0.59 -5.00 118.68 117.95 2wae s LEU 402 Ca -0.27 -0.55 0.01 0.00 -1.03 0.00 0.00 54.13 52.29 2wae s LEU 402 Cb 0.08 -1.49 0.06 0.00 0.03 0.00 0.00 46.19 44.87 2wae s LEU 402 CO 0.69 0.20 -0.05 -0.55 0.23 0.00 0.00 176.35 176.87 2wae s SER 403 N -1.92 3.83 0.73 2.29 0.15 -1.26 -4.44 113.70 113.08 2wae s SER 403 Ca 0.16 -1.17 0.00 0.00 0.70 0.00 0.00 55.95 55.65 2wae s SER 403 Cb -0.10 -1.17 0.00 0.00 -1.71 0.00 0.00 66.02 63.04 2wae s SER 403 CO 0.08 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.89 2wae n GLY 404 N 4.68 2.48 2.71 9.45 0.00 -1.26 -3.40 105.19 119.86 2wae n GLY 404 Ca -0.12 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 2wae n GLY 404 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wae n ASN 405 N 0.46 5.79 -4.75 1.61 5.15 -1.26 -4.91 115.26 117.36 2wae n ASN 405 Ca 0.00 -3.03 -0.40 0.00 -0.60 0.00 0.00 54.58 50.55 2wae n ASN 405 Cb 0.00 -1.49 -0.05 0.00 -0.53 0.00 0.00 39.78 37.71 2wae n ASN 405 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 2wae s GLN 406 N 0.67 4.77 -0.12 1.20 0.74 -1.22 -4.49 119.66 121.21 2wae s GLN 406 Ca 0.46 1.57 -0.25 0.00 0.05 0.00 0.00 55.36 57.19 2wae s GLN 406 Cb 0.13 -3.28 -0.02 0.00 1.10 0.00 0.00 33.01 30.94 2wae s GLN 406 CO -0.04 0.37 0.80 0.99 -0.55 0.00 0.00 175.29 176.86 2wae s THR 407 N -0.88 4.93 0.31 -0.34 2.01 -1.26 -3.37 115.64 117.03 2wae s THR 407 Ca 0.43 1.61 0.10 0.00 0.31 0.00 0.00 61.69 64.15 2wae s THR 407 Cb -0.27 -4.12 -0.05 0.00 0.01 0.00 0.00 72.50 68.06 2wae s THR 407 CO 0.34 0.11 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.53 2wae s LEU 408 N 1.63 2.83 -0.02 4.42 1.43 0.08 -4.92 118.68 124.14 2wae s LEU 408 Ca 0.39 -0.99 -0.30 0.00 -1.03 0.00 0.00 54.13 52.20 2wae s LEU 408 Cb -0.17 -1.25 -0.03 0.00 0.03 0.00 0.00 46.19 44.77 2wae s LEU 408 CO 0.16 -0.09 1.04 -0.89 0.23 0.00 0.00 176.35 176.80 2wae s THR 409 N -2.50 4.65 -0.50 5.49 2.01 -1.26 -0.91 115.64 122.62 2wae s THR 409 Ca 0.32 1.91 -0.23 0.00 0.31 0.00 0.00 61.69 64.00 2wae s THR 409 Cb -0.02 -4.23 0.04 0.00 0.01 0.00 0.00 72.50 68.30 2wae s THR 409 CO 0.17 0.10 0.83 -0.62 -0.69 0.00 0.00 174.62 174.42 2wae s ASP 410 N 1.08 6.36 0.08 3.53 -1.08 0.06 -4.77 116.67 121.94 2wae s ASP 410 Ca 0.53 -0.30 -0.04 0.00 -0.52 0.00 0.00 52.55 52.21 2wae s ASP 410 Cb -0.22 -2.40 -0.03 0.00 -1.46 0.00 0.00 42.92 38.82 2wae s ASP 410 CO 0.25 -1.04 0.08 0.00 0.52 0.00 0.00 175.17 174.98 2wae s GLN 411 N 3.48 0.78 0.39 4.34 -2.07 -1.26 -2.08 119.66 123.24 2wae s GLN 411 Ca 0.28 -1.18 -0.27 0.00 -1.82 0.00 0.00 55.36 52.38 2wae s GLN 411 Cb -0.13 0.27 -0.09 0.00 -1.09 0.00 0.00 33.01 31.97 2wae s GLN 411 CO 0.20 -0.21 1.35 -2.14 -1.32 0.00 0.00 175.29 173.17 2wae s PRO 412 N -3.93 4.02 -0.36 9.60 0.02 -1.26 -4.66 135.00 138.43 2wae s PRO 412 Ca 0.10 2.27 -0.16 0.00 0.02 0.00 0.00 61.00 63.23 2wae s PRO 412 Cb 0.07 -2.83 -0.00 0.00 0.02 0.00 0.00 34.50 31.75 2wae s PRO 412 CO -0.07 -0.49 0.41 0.42 -0.33 0.00 0.00 177.00 176.93 2wae s ILE 413 N -1.21 5.12 -0.33 2.83 -1.09 -0.48 -4.90 121.20 121.15 2wae s ILE 413 Ca 0.55 0.03 0.00 0.00 -2.23 0.00 0.00 60.65 59.01 2wae s ILE 413 Cb -0.41 -3.89 0.08 0.00 -1.58 0.00 0.00 42.46 36.66 2wae s ILE 413 CO 0.53 -0.18 0.05 -0.69 -1.23 0.00 0.00 174.94 173.42 2wae s VAL 414 N 2.12 2.75 0.14 2.92 1.01 -1.26 -0.74 120.40 127.34 2wae s VAL 414 Ca 0.13 -1.86 -0.04 0.00 0.00 0.00 0.00 61.98 60.21 2wae s VAL 414 Cb -0.16 -2.79 -0.05 0.00 0.00 0.00 0.00 36.38 33.38 2wae s VAL 414 CO 0.12 -0.38 0.36 -0.36 0.00 0.00 0.00 175.10 174.84 2wae s PHE 415 N 1.11 3.48 0.27 5.22 0.08 -1.26 -1.10 117.98 125.78 2wae s PHE 415 Ca 0.02 0.52 -0.30 0.00 0.12 0.00 0.00 56.93 57.29 2wae s PHE 415 Cb -0.20 -1.97 -0.10 0.00 -0.57 0.00 0.00 43.02 40.17 2wae s PHE 415 CO -0.04 0.44 1.42 -1.14 -0.10 0.00 0.00 175.22 175.80 2wae s GLN 416 N -2.68 4.27 -0.78 0.44 2.00 -0.75 -3.20 119.66 118.97 2wae s GLN 416 Ca 0.40 2.30 -0.04 0.00 -2.00 0.00 0.00 55.36 56.03 2wae s GLN 416 Cb -0.12 -3.09 0.00 0.00 0.80 0.00 0.00 33.01 30.60 2wae s GLN 416 CO 0.25 -0.38 0.51 0.41 -0.50 0.00 0.00 175.29 175.57 2wae n GLY 417 N 1.84 0.10 3.57 2.59 0.00 -1.26 -4.92 105.19 107.10 2wae n GLY 417 Ca 0.05 -0.22 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 2wae n GLY 417 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wae s SER 418 N -3.03 -0.33 0.30 1.61 1.04 -1.19 -5.15 113.70 106.94 2wae s SER 418 Ca 0.25 0.27 -0.29 0.00 0.48 0.00 0.00 55.95 56.65 2wae s SER 418 Cb -0.11 0.29 -0.11 0.00 0.10 0.00 0.00 66.02 66.20 2wae s SER 418 CO 0.31 -0.38 1.49 0.00 0.98 0.00 0.00 173.24 175.65 2wae s ALA 419 N -1.64 3.65 0.45 5.32 0.00 -1.26 -4.51 121.76 123.77 2wae s ALA 419 Ca 0.01 1.47 -0.23 0.00 0.00 0.00 0.00 51.96 53.21 2wae s ALA 419 Cb -0.01 -3.59 -0.10 0.00 0.00 0.00 0.00 23.12 19.42 2wae s ALA 419 CO -0.02 -0.89 0.90 -2.30 0.00 0.00 0.00 175.76 173.45 2wae n PRO 420 N 1.71 1.12 -4.05 0.00 -0.02 -1.26 -4.82 135.00 127.68 2wae n PRO 420 Ca 0.05 0.41 -0.35 0.00 -2.02 0.00 0.00 63.50 61.59 2wae n PRO 420 Cb 0.39 -1.95 -0.09 0.00 -0.02 0.00 0.00 33.50 31.83 2wae n PRO 420 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2wae s ILE 421 N -1.36 4.79 0.39 4.25 1.01 0.08 -4.92 121.20 125.44 2wae s ILE 421 Ca 0.65 -0.04 0.05 0.00 0.00 0.00 0.00 60.65 61.31 2wae s ILE 421 Cb -0.54 -3.13 -0.06 0.00 0.01 0.00 0.00 42.46 38.74 2wae s ILE 421 CO 0.56 0.50 0.04 -0.31 0.00 0.00 0.00 174.94 175.72 2wae s TYR 422 N 0.01 2.20 0.57 3.97 2.02 -1.26 -1.38 117.35 123.48 2wae s TYR 422 Ca 0.06 -0.84 0.09 0.00 -0.37 0.00 0.00 57.07 56.00 2wae s TYR 422 Cb -0.12 -1.54 0.08 0.00 -0.40 0.00 0.00 41.96 39.98 2wae s TYR 422 CO 0.01 0.21 0.71 -1.12 -1.57 0.00 0.00 175.55 173.79 2wae s SER 423 N -3.63 4.99 0.37 2.29 0.01 -1.26 -4.76 113.70 111.71 2wae s SER 423 Ca 0.32 -0.94 0.13 0.00 1.31 0.00 0.00 55.95 56.78 2wae s SER 423 Cb 0.08 0.33 0.95 0.00 0.21 0.00 0.00 66.02 67.60 2wae s SER 423 CO 0.15 -1.30 1.80 4.11 0.41 0.00 0.00 173.24 178.42 2wae h TRP 424 N 0.30 0.78 0.00 2.43 5.08 -1.91 -1.14 115.95 121.49 2wae h TRP 424 Ca -0.31 0.03 0.00 0.00 1.08 0.00 0.00 58.89 59.68 2wae h TRP 424 Cb 1.29 -0.23 0.00 0.00 -3.00 0.00 0.00 29.16 27.22 2wae h TRP 424 CO 0.56 0.16 0.00 2.48 -1.28 0.00 0.00 178.44 180.35 2wae n TYR 425 N -4.64 0.00 0.00 0.12 4.11 -1.26 -4.94 117.16 110.55 2wae n TYR 425 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.12 2wae n TYR 425 Cb 0.70 -0.29 0.00 0.00 -0.00 0.00 0.00 39.34 39.74 2wae n TYR 425 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.86 178.03 2wae n LYS 426 N -1.29 0.00 -0.32 -3.48 4.81 -0.43 -1.47 118.16 115.98 2wae n LYS 426 Ca 0.13 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.69 2wae n LYS 426 Cb 0.23 0.00 0.29 0.00 0.02 0.00 0.00 35.03 35.57 2wae n LYS 426 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2wae n LEU 427 N 0.00 3.82 0.31 3.14 4.77 -1.26 -4.62 117.00 123.16 2wae n LEU 427 Ca 0.00 -1.86 0.20 0.00 -0.03 0.00 0.00 56.01 54.31 2wae n LEU 427 Cb 0.00 -0.42 0.99 0.00 -2.33 0.00 0.00 43.42 41.66 2wae n LEU 427 CO 0.00 0.92 1.10 0.00 -1.33 0.00 0.00 177.39 178.08 2wae h ALA 428 N 4.32 1.07 0.00 -1.18 0.00 -1.66 -2.28 119.26 119.53 2wae h ALA 428 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2wae h ALA 428 Cb 0.99 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2wae h ALA 428 CO 0.00 0.02 0.00 0.66 0.00 0.00 0.00 179.25 179.93 2wae n TYR 429 N -3.21 0.00 -4.95 0.00 4.01 -1.26 -5.13 117.16 106.62 2wae n TYR 429 Ca -0.02 -0.27 0.00 0.00 -0.16 0.00 0.00 57.90 57.45 2wae n TYR 429 Cb 0.16 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.16 2wae n TYR 429 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wae n GLY 430 N -0.27 0.96 3.82 2.72 0.00 -0.86 -4.65 105.19 106.91 2wae n GLY 430 Ca 0.00 -0.64 -0.38 0.00 0.00 0.00 0.00 46.02 45.00 2wae n GLY 430 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wae s SER 431 N -4.00 6.68 0.01 1.61 0.01 -1.26 -4.79 113.70 111.96 2wae s SER 431 Ca 0.00 0.81 -0.24 0.00 1.31 0.00 0.00 55.95 57.83 2wae s SER 431 Cb 0.00 -2.21 0.05 0.00 0.21 0.00 0.00 66.02 64.07 2wae s SER 431 CO 0.00 0.29 0.54 0.72 0.41 0.00 0.00 173.24 175.21 2wae s PHE 432 N -0.77 -0.47 0.44 2.43 -0.71 -0.88 -4.96 117.98 113.06 2wae s PHE 432 Ca 0.21 0.66 -0.24 0.00 -1.04 0.00 0.00 56.93 56.53 2wae s PHE 432 Cb -0.15 0.33 -0.08 0.00 -1.21 0.00 0.00 43.02 41.91 2wae s PHE 432 CO 0.10 -0.60 1.18 -1.25 -1.34 0.00 0.00 175.22 173.32 2wae s PRO 433 N -1.87 3.83 -0.08 1.99 0.04 -1.26 -0.76 135.00 136.89 2wae s PRO 433 Ca -0.08 1.83 -0.06 0.00 0.04 0.00 0.00 61.00 62.73 2wae s PRO 433 Cb -0.01 -2.50 0.03 0.00 0.04 0.00 0.00 34.50 32.07 2wae s PRO 433 CO 0.03 -0.50 0.21 -1.50 0.04 0.00 0.00 177.00 175.27 2wae s ILE 434 N -1.49 -0.02 0.58 0.56 2.07 -0.09 -4.83 121.20 117.98 2wae s ILE 434 Ca 0.62 0.09 0.01 0.00 -1.41 0.00 0.00 60.65 59.95 2wae s ILE 434 Cb -0.30 -0.31 0.05 0.00 0.13 0.00 0.00 42.46 42.02 2wae s ILE 434 CO 0.37 0.04 0.81 0.42 -1.91 0.00 0.00 174.94 174.66 2wae s THR 435 N 0.73 2.58 0.20 4.00 -4.23 -1.26 -0.74 115.64 116.91 2wae s THR 435 Ca -0.05 -0.65 -0.10 0.00 -1.18 0.00 0.00 61.69 59.70 2wae s THR 435 Cb -0.07 -2.92 0.13 0.00 1.34 0.00 0.00 72.50 70.98 2wae s THR 435 CO -0.04 0.00 1.80 0.00 -0.54 0.00 0.00 174.62 175.84 2wae h ALA 436 N -0.02 0.91 -0.01 3.99 0.00 -1.78 0.83 119.26 123.17 2wae h ALA 436 Ca -0.41 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.40 2wae h ALA 436 Cb 1.29 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 2wae h ALA 436 CO 0.51 0.44 -0.12 0.28 0.00 0.00 0.00 179.25 180.36 2wae h VAL 437 N 0.97 0.70 -0.36 0.00 2.07 -1.92 -2.11 116.25 115.60 2wae h VAL 437 Ca 0.25 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.73 2wae h VAL 437 Cb 0.07 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 2wae h VAL 437 CO -0.04 0.00 0.07 -0.33 0.02 0.00 0.00 177.57 177.29 2wae h GLU 438 N -0.20 0.54 -0.76 1.57 5.08 -1.85 -1.81 114.58 117.15 2wae h GLU 438 Ca 0.05 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2wae h GLU 438 Cb 0.26 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 2wae h GLU 438 CO -0.13 0.51 0.43 0.00 -1.00 0.00 0.00 179.01 178.82 2wae h ALA 439 N 1.55 1.32 -0.12 3.43 0.00 0.13 0.13 119.26 125.71 2wae h ALA 439 Ca 0.12 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 2wae h ALA 439 Cb 0.24 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2wae h ALA 439 CO -0.00 0.56 -0.26 -0.07 0.00 0.00 0.00 179.25 179.48 2wae h LEU 440 N 1.05 0.43 -0.41 0.00 3.38 -1.06 0.25 115.31 118.97 2wae h LEU 440 Ca 0.27 -0.57 0.03 0.00 0.09 0.00 0.00 57.88 57.69 2wae h LEU 440 Cb 0.01 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 2wae h LEU 440 CO -0.05 0.92 0.22 -0.08 0.09 0.00 0.00 178.44 179.55 2wae h GLU 441 N -0.04 0.43 -0.01 1.13 4.81 -0.90 -2.46 114.58 117.54 2wae h GLU 441 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2wae h GLU 441 Cb 0.86 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.15 2wae h GLU 441 CO 0.06 0.28 -0.10 0.66 -0.73 0.00 0.00 179.01 179.18 2wae n TYR 442 N -4.90 0.00 -3.54 0.92 4.01 0.42 -2.18 117.16 111.90 2wae n TYR 442 Ca 0.02 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.53 2wae n TYR 442 Cb 0.09 -0.07 0.03 0.00 -0.31 0.00 0.00 39.34 39.08 2wae n TYR 442 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2wae n SER 443 N -0.32 -5.88 -4.67 7.72 2.88 -0.74 -4.89 113.62 107.71 2wae n SER 443 Ca 0.16 -0.80 -0.41 0.00 -1.33 0.00 0.00 58.87 56.49 2wae n SER 443 Cb 0.33 -3.70 -0.04 0.00 -0.75 0.00 0.00 64.21 60.05 2wae n SER 443 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2wae s SER 444 N -3.30 6.93 0.11 -3.46 0.15 0.00 -4.70 113.70 109.42 2wae s SER 444 Ca 0.32 1.14 -0.11 0.00 0.70 0.00 0.00 55.95 58.00 2wae s SER 444 Cb -0.10 -2.44 -0.15 0.00 -1.71 0.00 0.00 66.02 61.62 2wae s SER 444 CO 0.83 -0.37 1.29 0.78 1.20 0.00 0.00 173.24 176.98 2wae h ASN 445 N 7.31 0.86 -0.73 5.45 2.35 -1.90 -3.31 115.58 125.60 2wae h ASN 445 Ca -0.30 -0.60 0.15 0.00 -0.55 0.00 0.00 56.30 55.00 2wae h ASN 445 Cb 1.14 -0.26 -0.11 0.00 0.05 0.00 0.00 38.32 39.15 2wae h ASN 445 CO 0.82 1.40 0.20 0.00 -1.65 0.00 0.00 177.43 178.20 2wae h ALA 446 N 0.57 0.95 0.40 -0.83 0.00 -1.90 -0.31 119.26 118.15 2wae h ALA 446 Ca -0.07 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2wae h ALA 446 Cb 1.49 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.49 2wae h ALA 446 CO 0.17 -0.32 -0.19 -0.92 0.00 0.00 0.00 179.25 177.99 2wae h TYR 447 N 0.30 -0.50 0.00 0.00 3.20 -1.86 -0.15 116.97 117.95 2wae h TYR 447 Ca 0.41 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 62.17 2wae h TYR 447 Cb 0.68 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.10 2wae h TYR 447 CO -0.24 -0.30 -0.48 -0.39 -1.64 0.00 0.00 178.16 175.10 2wae h VAL 448 N -0.55 1.20 -0.31 1.81 -1.51 -1.57 -0.64 116.25 114.68 2wae h VAL 448 Ca -0.06 -1.74 -0.12 0.00 -1.23 0.00 0.00 66.70 63.56 2wae h VAL 448 Cb 0.42 1.97 -0.01 0.00 -2.13 0.00 0.00 31.29 31.55 2wae h VAL 448 CO 0.09 0.47 -0.28 0.58 -1.23 0.00 0.00 177.57 177.20 2wae h VAL 449 N 0.00 1.29 -0.51 7.19 2.07 -0.97 0.27 116.25 125.59 2wae h VAL 449 Ca -0.00 -1.44 -0.09 0.00 0.82 0.00 0.00 66.70 65.98 2wae h VAL 449 Cb 0.93 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 32.20 2wae h VAL 449 CO 0.06 0.47 -0.04 1.56 0.02 0.00 0.00 177.57 179.64 2wae h GLN 450 N 0.51 0.89 -0.24 1.57 4.20 -0.78 -1.12 115.11 120.14 2wae h GLN 450 Ca 0.05 -0.27 0.00 0.00 0.06 0.00 0.00 58.65 58.49 2wae h GLN 450 Cb 0.85 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.54 2wae h GLN 450 CO 0.07 0.91 0.15 1.15 -0.67 0.00 0.00 178.83 180.45 2wae h THR 451 N 0.81 1.07 -0.36 -0.54 2.02 -1.01 -1.59 112.91 113.32 2wae h THR 451 Ca 0.15 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 2wae h THR 451 Cb 0.54 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 2wae h THR 451 CO 0.03 0.07 0.15 0.00 0.37 0.00 0.00 175.52 176.14 2wae h ALA 452 N 1.07 0.47 -0.38 6.16 0.00 -0.74 -1.08 119.26 124.76 2wae h ALA 452 Ca 0.09 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.93 2wae h ALA 452 Cb -0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2wae h ALA 452 CO -0.02 0.07 0.26 1.25 0.00 0.00 0.00 179.25 180.81 2wae h LEU 453 N 0.44 0.22 -0.44 0.00 5.85 -1.12 -1.57 115.31 118.70 2wae h LEU 453 Ca 0.12 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.71 2wae h LEU 453 Cb 0.17 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 2wae h LEU 453 CO -0.01 0.15 -0.25 1.23 -0.34 0.00 0.00 178.44 179.22 2wae h GLY 454 N 0.25 1.03 1.20 3.75 0.00 -0.19 -2.29 103.07 106.81 2wae h GLY 454 Ca 0.17 -0.95 0.06 0.00 0.00 0.00 0.00 47.33 46.62 2wae h GLY 454 CO -0.03 0.86 0.39 -2.22 0.00 0.00 0.00 176.54 175.53 2wae h ILE 455 N 0.78 0.99 0.00 2.60 2.04 -0.39 -0.48 117.51 123.05 2wae h ILE 455 Ca 0.09 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.76 2wae h ILE 455 Cb 0.83 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 2wae h ILE 455 CO 0.07 0.10 0.00 0.80 0.00 0.00 0.00 178.15 179.12 2wae n MET 456 N -4.47 0.58 -0.26 2.37 1.56 -0.92 -4.72 117.12 111.25 2wae n MET 456 Ca 0.08 0.01 0.00 0.00 -0.27 0.00 0.00 57.70 57.52 2wae n MET 456 Cb 0.24 -1.50 0.00 0.00 2.15 0.00 0.00 33.22 34.11 2wae n MET 456 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2wae n GLY 457 N 1.04 0.85 3.29 -5.12 0.00 -0.19 -4.75 105.19 100.32 2wae n GLY 457 Ca 0.16 -0.17 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 2wae n GLY 457 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wae s GLN 458 N -0.60 1.25 -0.16 1.61 -0.21 -0.89 -5.02 119.66 115.64 2wae s GLN 458 Ca 0.00 -1.12 -0.09 0.00 0.02 0.00 0.00 55.36 54.17 2wae s GLN 458 Cb 0.00 -1.50 -0.05 0.00 1.00 0.00 0.00 33.01 32.46 2wae s GLN 458 CO 0.00 0.36 0.15 0.99 -2.12 0.00 0.00 175.29 174.68 2wae s THR 459 N -1.04 5.43 0.17 -0.19 2.01 -1.26 -3.33 115.64 117.43 2wae s THR 459 Ca 0.08 0.24 -0.31 0.00 0.31 0.00 0.00 61.69 62.01 2wae s THR 459 Cb -0.10 -3.46 -0.09 0.00 0.01 0.00 0.00 72.50 68.86 2wae s THR 459 CO 0.04 0.52 1.49 -0.47 -0.69 0.00 0.00 174.62 175.50 2wae s TYR 460 N -0.27 3.10 0.00 4.92 5.04 -1.26 -5.03 117.35 123.86 2wae s TYR 460 Ca 0.12 0.82 0.02 0.00 -2.44 0.00 0.00 57.07 55.59 2wae s TYR 460 Cb -0.12 -3.83 -0.01 0.00 0.35 0.00 0.00 41.96 38.35 2wae s TYR 460 CO 0.01 -2.94 -0.07 -0.65 -1.34 0.00 0.00 175.55 170.57 2wae s GLN 461 N 0.73 0.53 0.41 4.97 -1.52 -1.26 -5.12 119.66 118.40 2wae s GLN 461 Ca 0.66 -0.31 -0.26 0.00 -1.95 0.00 0.00 55.36 53.49 2wae s GLN 461 Cb -0.41 -0.49 -0.09 0.00 -0.22 0.00 0.00 33.01 31.80 2wae s GLN 461 CO 0.34 0.13 1.33 -2.14 -0.25 0.00 0.00 175.29 174.69 2wae s PRO 462 N -0.37 3.95 -0.45 2.91 0.02 -1.26 -2.38 135.00 137.42 2wae s PRO 462 Ca 0.01 2.21 0.00 0.00 0.02 0.00 0.00 61.00 63.23 2wae s PRO 462 Cb -0.04 -2.76 0.00 0.00 0.02 0.00 0.00 34.50 31.72 2wae s PRO 462 CO -0.00 -0.53 0.00 0.09 -0.33 0.00 0.00 177.00 176.23 2wae n ASN 463 N 0.12 -3.85 -4.77 2.53 3.02 -0.26 -4.99 115.26 107.06 2wae n ASN 463 Ca 0.04 0.10 -0.39 0.00 -0.03 0.00 0.00 54.58 54.30 2wae n ASN 463 Cb 0.43 -1.72 -0.01 0.00 -0.61 0.00 0.00 39.78 37.86 2wae n ASN 463 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wae s MET 464 N -1.86 4.05 -0.11 3.52 0.23 -1.00 -4.40 119.30 119.72 2wae s MET 464 Ca 0.00 2.02 -0.27 0.00 -1.03 0.00 0.00 55.69 56.41 2wae s MET 464 Cb 0.00 -2.77 -0.02 0.00 -1.53 0.00 0.00 34.83 30.52 2wae s MET 464 CO 0.00 -0.38 0.90 -0.06 -2.03 0.00 0.00 175.02 173.45 2wae s PHE 465 N -1.31 3.50 -0.10 3.16 0.08 -1.26 -1.82 117.98 120.24 2wae s PHE 465 Ca 0.56 1.43 -0.17 0.00 0.12 0.00 0.00 56.93 58.86 2wae s PHE 465 Cb -0.35 -3.06 -0.05 0.00 -0.57 0.00 0.00 43.02 38.99 2wae s PHE 465 CO 0.45 -0.17 0.45 0.08 -0.10 0.00 0.00 175.22 175.93 2wae s VAL 466 N 1.80 5.15 0.05 -0.44 1.01 -1.26 -5.03 120.40 121.68 2wae s VAL 466 Ca 0.43 0.91 -0.19 0.00 0.00 0.00 0.00 61.98 63.13 2wae s VAL 466 Cb -0.18 -3.79 -0.06 0.00 0.00 0.00 0.00 36.38 32.35 2wae s VAL 466 CO 0.17 0.38 0.57 -0.83 0.00 0.00 0.00 175.10 175.39 2wae s GLY 467 N 0.26 2.64 -0.18 4.51 0.00 -1.26 -4.97 107.32 108.32 2wae s GLY 467 Ca 0.25 0.02 0.17 0.00 0.00 0.00 0.00 44.72 45.15 2wae s GLY 467 CO 0.10 0.53 1.44 -1.30 0.00 0.00 0.00 173.10 173.87 2wae n THR 468 N 2.02 2.32 0.02 0.90 -2.24 -1.26 -4.60 114.28 111.44 2wae n THR 468 Ca -0.10 -1.87 0.14 0.00 -2.27 0.00 0.00 64.05 59.96 2wae n THR 468 Cb 0.51 -0.26 0.60 0.00 -2.10 0.00 0.00 70.33 69.08 2wae n THR 468 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2wae h SER 469 N 1.91 0.16 -0.81 3.42 4.64 -1.97 -2.73 113.55 118.18 2wae h SER 469 Ca 0.00 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.84 2wae h SER 469 Cb 1.48 -0.03 -0.27 0.00 -0.31 0.00 0.00 62.40 63.27 2wae h SER 469 CO 0.24 0.10 0.36 0.59 -0.87 0.00 0.00 176.83 177.24 2wae n ASN 470 N -4.45 4.75 0.04 4.97 3.02 -1.26 -4.72 115.26 117.62 2wae n ASN 470 Ca 0.07 -3.73 -0.20 0.00 -0.03 0.00 0.00 54.58 50.69 2wae n ASN 470 Cb 0.40 -0.77 -0.15 0.00 -0.61 0.00 0.00 39.78 38.65 2wae n ASN 470 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2wae h LEU 471 N 1.44 0.45 -0.95 3.41 5.85 -1.83 -2.34 115.31 121.35 2wae h LEU 471 Ca 0.49 -0.95 -0.04 0.00 0.84 0.00 0.00 57.88 58.23 2wae h LEU 471 Cb 1.79 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.64 2wae h LEU 471 CO 1.03 1.40 0.30 -0.33 -0.34 0.00 0.00 178.44 180.51 2wae h GLU 472 N -0.38 1.07 -0.46 1.25 5.08 -1.84 -0.07 114.58 119.22 2wae h GLU 472 Ca -0.15 -0.17 -0.10 0.00 -1.00 0.00 0.00 59.36 57.93 2wae h GLU 472 Cb 1.64 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.69 2wae h GLU 472 CO 0.14 0.85 -0.10 1.03 -1.00 0.00 0.00 179.01 179.93 2wae h SER 473 N 1.05 0.90 -0.17 1.42 0.87 -1.91 -1.60 113.55 114.10 2wae h SER 473 Ca 0.25 -0.36 -0.05 0.00 -1.23 0.00 0.00 61.79 60.40 2wae h SER 473 Cb 0.18 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 61.89 2wae h SER 473 CO -0.02 1.05 -0.07 0.00 -0.53 0.00 0.00 176.83 177.25 2wae h ALA 474 N 0.88 0.24 -0.58 6.23 0.00 -1.03 -1.87 119.26 123.14 2wae h ALA 474 Ca 0.12 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.77 2wae h ALA 474 Cb 0.65 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 2wae h ALA 474 CO 0.04 0.04 0.38 1.98 0.00 0.00 0.00 179.25 181.69 2wae h MET 475 N 0.04 0.74 -0.86 0.00 -1.53 -1.03 -1.08 114.93 111.22 2wae h MET 475 Ca 0.04 -0.04 0.07 0.00 -3.44 0.00 0.00 59.70 56.33 2wae h MET 475 Cb 0.53 -0.17 -0.07 0.00 -0.55 0.00 0.00 31.60 31.35 2wae h MET 475 CO 0.02 0.49 0.52 0.78 0.14 0.00 0.00 176.91 178.87 2wae h GLY 476 N 0.76 1.31 1.27 1.39 0.00 -1.16 -0.07 103.07 106.57 2wae h GLY 476 Ca 0.22 -0.37 -0.15 0.00 0.00 0.00 0.00 47.33 47.03 2wae h GLY 476 CO -0.06 0.23 -0.36 0.50 0.00 0.00 0.00 176.54 176.85 2wae h LYS 477 N 0.93 0.81 -0.04 4.80 1.57 -0.90 -0.80 116.57 122.94 2wae h LYS 477 Ca 0.39 -0.41 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2wae h LYS 477 Cb 0.23 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 2wae h LYS 477 CO -0.19 1.04 0.00 1.25 -0.57 0.00 0.00 179.45 180.98 2wae h LEU 478 N 0.67 0.06 -1.50 2.94 5.85 -0.83 -2.59 115.31 119.91 2wae h LEU 478 Ca 0.06 -0.29 -0.05 0.00 0.84 0.00 0.00 57.88 58.44 2wae h LEU 478 Cb 0.92 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 2wae h LEU 478 CO 0.08 0.34 -0.24 0.03 -0.34 0.00 0.00 178.44 178.31 2wae h ARG 479 N -0.21 0.00 -0.30 1.25 3.08 -1.02 -1.64 114.38 115.53 2wae h ARG 479 Ca 0.01 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.00 2wae h ARG 479 Cb 0.30 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 2wae h ARG 479 CO 0.00 0.24 -0.04 1.03 -1.07 0.00 0.00 179.97 180.13 2wae h SER 480 N 0.00 0.55 -0.28 7.04 0.87 -1.07 -0.09 113.55 120.57 2wae h SER 480 Ca -0.00 -0.34 -0.03 0.00 -1.23 0.00 0.00 61.79 60.19 2wae h SER 480 Cb 0.54 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.33 2wae h SER 480 CO 0.03 0.76 0.07 0.74 -0.53 0.00 0.00 176.83 177.91 2wae h THR 481 N 0.33 1.21 -0.96 2.23 2.02 -1.22 -2.53 112.91 114.00 2wae h THR 481 Ca 0.08 -0.71 0.13 0.00 0.77 0.00 0.00 66.41 66.69 2wae h THR 481 Cb 0.51 1.14 -0.08 0.00 -1.74 0.00 0.00 68.15 67.98 2wae h THR 481 CO 0.02 0.23 0.61 -0.26 0.37 0.00 0.00 175.52 176.49 2wae h PHE 482 N 0.29 1.02 0.00 3.16 0.04 -1.15 -0.36 116.94 119.94 2wae h PHE 482 Ca 0.09 0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.83 2wae h PHE 482 Cb 0.28 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 38.10 2wae h PHE 482 CO 0.01 0.38 -0.30 0.78 -0.60 0.00 0.00 178.31 178.58 2wae h GLY 483 N 0.87 0.00 2.00 -1.45 0.00 -0.60 -1.64 103.07 102.25 2wae h GLY 483 Ca 0.48 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.79 2wae h GLY 483 CO -0.25 0.00 -0.10 0.83 0.00 0.00 0.00 176.54 177.02 2wae h GLU 484 N 0.00 0.00 0.00 4.80 5.08 -0.74 -2.48 114.58 121.24 2wae h GLU 484 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2wae h GLU 484 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 2wae h GLU 484 CO 0.04 0.10 -0.95 0.66 -1.00 0.00 0.00 179.01 177.87 2wae n TYR 485 N -3.31 0.01 0.00 4.33 4.01 -0.80 -4.73 117.16 116.66 2wae n TYR 485 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2wae n TYR 485 Cb 0.31 -0.08 0.00 0.00 -0.31 0.00 0.00 39.34 39.26 2wae n TYR 485 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wae n GLY 486 N 1.49 0.61 3.55 2.72 0.00 -0.93 -2.68 105.19 109.94 2wae n GLY 486 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 2wae n GLY 486 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wae s LEU 487 N 0.00 3.30 0.00 0.99 1.43 -0.68 -3.14 118.68 120.58 2wae s LEU 487 Ca 0.00 -0.78 0.00 0.00 -1.03 0.00 0.00 54.13 52.32 2wae s LEU 487 Cb 0.00 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.66 2wae s LEU 487 CO 0.00 -1.80 0.00 0.61 0.23 0.00 0.00 176.35 175.39 2wae n GLY 488 N 6.05 0.42 3.71 -3.19 0.00 -1.26 -3.50 105.19 107.43 2wae n GLY 488 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 2wae n GLY 488 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wae s SER 489 N -2.61 4.23 0.27 1.61 1.04 -1.19 -4.80 113.70 112.25 2wae s SER 489 Ca 0.00 -1.23 -0.30 0.00 0.48 0.00 0.00 55.95 54.90 2wae s SER 489 Cb 0.00 -0.34 -0.11 0.00 0.10 0.00 0.00 66.02 65.67 2wae s SER 489 CO 0.00 -0.56 1.56 0.00 0.98 0.00 0.00 173.24 175.22 2wae s ALA 490 N -2.66 3.72 0.11 5.32 0.00 -1.26 -4.83 121.76 122.15 2wae s ALA 490 Ca 0.36 1.50 0.05 0.00 0.00 0.00 0.00 51.96 53.87 2wae s ALA 490 Cb 0.06 -3.62 -0.23 0.00 0.00 0.00 0.00 23.12 19.32 2wae s ALA 490 CO 0.20 -0.91 1.23 1.79 0.00 0.00 0.00 175.76 178.07 2wae h THR 491 N 3.47 1.65 0.00 0.00 1.35 -1.91 -3.48 112.91 113.99 2wae h THR 491 Ca -0.46 -3.33 0.00 0.00 -0.55 0.00 0.00 66.41 62.06 2wae h THR 491 Cb 1.22 2.86 0.00 0.00 -1.73 0.00 0.00 68.15 70.50 2wae h THR 491 CO 0.80 0.95 0.00 0.61 -0.25 0.00 0.00 175.52 177.63 2wae n GLY 492 N 1.40 0.50 3.74 5.82 0.00 -1.26 -4.26 105.19 111.13 2wae n GLY 492 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 2wae n GLY 492 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2wae s ILE 493 N -2.05 2.05 -1.02 -0.61 2.07 -1.25 -4.55 121.20 115.84 2wae s ILE 493 Ca 0.00 0.03 -0.08 0.00 -1.41 0.00 0.00 60.65 59.19 2wae s ILE 493 Cb 0.00 -3.02 -0.16 0.00 0.13 0.00 0.00 42.46 39.42 2wae s ILE 493 CO 0.00 -0.00 3.21 -0.90 -1.91 0.00 0.00 174.94 175.34 2wae n ASP 494 N -1.26 7.44 -4.18 4.50 5.75 -1.23 -4.80 116.55 122.77 2wae n ASP 494 Ca 0.12 -2.53 -0.19 0.00 -0.01 0.00 0.00 54.79 52.18 2wae n ASP 494 Cb 0.46 -1.51 -0.12 0.00 -1.03 0.00 0.00 41.12 38.92 2wae n ASP 494 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2wae s LEU 495 N 0.11 2.29 0.59 -2.12 1.43 -1.26 -4.82 118.68 114.89 2wae s LEU 495 Ca 0.69 -0.63 0.36 0.00 -1.03 0.00 0.00 54.13 53.51 2wae s LEU 495 Cb 0.23 -0.54 1.87 0.00 0.03 0.00 0.00 46.19 47.79 2wae s LEU 495 CO -0.04 -0.07 2.20 1.55 0.23 0.00 0.00 176.35 180.22 2wae h PRO 496 N 4.23 0.00 -1.11 1.29 0.13 -1.87 -3.39 132.00 131.28 2wae h PRO 496 Ca -0.41 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.58 2wae h PRO 496 Cb 1.19 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.13 2wae h PRO 496 CO 0.41 0.03 -0.50 0.34 -0.23 0.00 0.00 178.00 178.05 2wae s ASP 497 N -5.67 -1.22 0.12 1.44 2.15 -1.26 -5.14 116.67 107.08 2wae s ASP 497 Ca -0.03 -1.37 -0.20 0.00 0.43 0.00 0.00 52.55 51.38 2wae s ASP 497 Cb 0.12 1.76 -0.07 0.00 -0.30 0.00 0.00 42.92 44.43 2wae s ASP 497 CO 0.50 -0.12 0.62 -1.83 -0.17 0.00 0.00 175.17 174.18 2wae s GLU 498 N 1.29 4.25 0.39 4.34 -1.05 -1.26 -4.93 118.70 121.74 2wae s GLU 498 Ca 0.23 0.81 -0.27 0.00 -0.15 0.00 0.00 54.97 55.59 2wae s GLU 498 Cb -0.03 -3.17 -0.10 0.00 -0.44 0.00 0.00 34.13 30.40 2wae s GLU 498 CO -0.06 0.58 1.37 0.45 0.95 0.00 0.00 175.26 178.55 2wae s SER 499 N -1.25 6.33 0.00 0.83 0.15 -0.74 -4.92 113.70 114.11 2wae s SER 499 Ca 0.33 2.81 0.21 0.00 0.70 0.00 0.00 55.95 60.00 2wae s SER 499 Cb -0.19 -2.65 0.58 0.00 -1.71 0.00 0.00 66.02 62.05 2wae s SER 499 CO 0.21 -0.85 1.49 0.35 1.20 0.00 0.00 173.24 175.63 2wae n THR 500 N 0.29 0.98 0.00 6.45 -2.24 -1.26 -4.86 114.28 113.64 2wae n THR 500 Ca 0.02 -0.99 0.00 0.00 -2.27 0.00 0.00 64.05 60.81 2wae n THR 500 Cb 0.42 0.52 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 2wae n THR 500 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wae n GLY 501 N 1.46 1.43 3.32 3.38 0.00 -1.26 -4.02 105.19 109.51 2wae n GLY 501 Ca 0.22 -1.99 -0.46 0.00 0.00 0.00 0.00 46.02 43.79 2wae n GLY 501 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wae s LEU 502 N 0.00 6.16 -0.45 0.99 2.96 -0.43 -4.97 118.68 122.94 2wae s LEU 502 Ca 0.00 -1.86 0.00 0.00 -0.22 0.00 0.00 54.13 52.05 2wae s LEU 502 Cb 0.00 -2.22 0.12 0.00 0.50 0.00 0.00 46.19 44.59 2wae s LEU 502 CO 0.00 -0.86 0.21 -0.69 -1.32 0.00 0.00 176.35 173.70 2wae s VAL 503 N 1.56 2.94 0.24 1.68 1.01 -1.26 -1.61 120.40 124.96 2wae s VAL 503 Ca 0.06 -2.54 -0.30 0.00 0.00 0.00 0.00 61.98 59.21 2wae s VAL 503 Cb -0.27 -3.04 -0.09 0.00 0.00 0.00 0.00 36.38 32.98 2wae s VAL 503 CO 0.02 -0.72 1.30 -2.84 0.00 0.00 0.00 175.10 172.86 2wae s PRO 504 N 0.59 4.40 0.22 2.72 0.02 -1.26 -4.95 135.00 136.74 2wae s PRO 504 Ca 0.12 2.08 0.16 0.00 0.02 0.00 0.00 61.00 63.38 2wae s PRO 504 Cb -0.22 -3.16 0.01 0.00 0.02 0.00 0.00 34.50 31.15 2wae s PRO 504 CO -0.04 -0.20 1.25 0.87 -0.33 0.00 0.00 177.00 178.55 2wae h LYS 505 N 4.76 0.00 -5.09 5.54 1.57 -2.04 -3.43 116.57 117.88 2wae h LYS 505 Ca -0.46 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 57.68 2wae h LYS 505 Cb 1.22 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.37 2wae h LYS 505 CO 0.74 0.41 -0.27 -2.00 -0.57 0.00 0.00 179.45 177.75 2wae s GLU 506 N -2.97 3.90 0.22 3.15 2.56 -1.26 -5.05 118.70 119.25 2wae s GLU 506 Ca 0.02 -0.10 -0.17 0.00 0.00 0.00 0.00 54.97 54.72 2wae s GLU 506 Cb 0.08 -3.69 0.02 0.00 2.00 0.00 0.00 34.13 32.54 2wae s GLU 506 CO 0.76 -0.33 0.55 1.52 -0.56 0.00 0.00 175.26 177.20 2wae s TYR 507 N 2.04 -0.04 0.00 5.30 1.13 -1.26 -5.16 117.35 119.36 2wae s TYR 507 Ca 0.14 -0.32 0.00 0.00 -1.41 0.00 0.00 57.07 55.47 2wae s TYR 507 Cb -0.16 0.41 0.00 0.00 -1.10 0.00 0.00 41.96 41.11 2wae s TYR 507 CO 0.11 -0.99 0.00 0.27 -2.51 0.00 0.00 175.55 172.43 2wae n ASN 508 N -0.37 1.32 0.25 -0.18 0.23 -1.26 -5.02 115.26 110.22 2wae n ASN 508 Ca -0.07 -0.96 -0.15 0.00 -0.53 0.00 0.00 54.58 52.86 2wae n ASN 508 Cb 0.62 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.23 2wae n ASN 508 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 2wae h PHE 509 N 0.96 -0.56 -0.91 -2.53 3.57 -1.99 -1.75 116.94 113.73 2wae h PHE 509 Ca 0.00 -0.01 0.26 0.00 3.53 0.00 0.00 57.97 61.74 2wae h PHE 509 Cb 0.00 0.19 -0.15 0.00 2.79 0.00 0.00 35.95 38.77 2wae h PHE 509 CO 0.00 -0.29 0.22 0.00 -2.23 0.00 0.00 178.31 176.01 2wae h ALA 510 N -0.24 1.32 -0.74 2.41 0.00 -1.99 0.10 119.26 120.12 2wae h ALA 510 Ca -0.06 0.25 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 2wae h ALA 510 Cb 0.53 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 2wae h ALA 510 CO 0.10 -0.53 0.27 -0.91 0.00 0.00 0.00 179.25 178.18 2wae h ASN 511 N 0.15 1.05 -0.33 0.00 2.35 -1.88 -0.31 115.58 116.61 2wae h ASN 511 Ca 0.59 -0.19 0.00 0.00 -0.55 0.00 0.00 56.30 56.15 2wae h ASN 511 Cb 1.23 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 39.31 2wae h ASN 511 CO -0.72 0.96 0.22 0.15 -1.65 0.00 0.00 177.43 176.38 2wae h PHE 512 N 1.08 0.41 0.15 1.19 3.57 0.04 0.42 116.94 123.80 2wae h PHE 512 Ca 0.24 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.75 2wae h PHE 512 Cb 0.26 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.86 2wae h PHE 512 CO 0.02 0.26 -0.07 0.82 -2.23 0.00 0.00 178.31 177.11 2wae h ILE 513 N 0.44 0.91 -0.71 1.41 1.08 -0.78 -2.44 117.51 117.43 2wae h ILE 513 Ca 0.12 -0.24 0.10 0.00 -0.39 0.00 0.00 64.86 64.45 2wae h ILE 513 Cb -0.05 1.06 -0.05 0.00 -3.07 0.00 0.00 36.82 34.72 2wae h ILE 513 CO -0.03 0.06 0.47 0.71 -0.69 0.00 0.00 178.15 178.67 2wae h THR 514 N -0.32 0.91 -0.02 -0.27 1.35 -0.97 -0.22 112.91 113.37 2wae h THR 514 Ca -0.02 -0.20 0.01 0.00 -0.55 0.00 0.00 66.41 65.65 2wae h THR 514 Cb 0.25 0.29 -0.00 0.00 -1.73 0.00 0.00 68.15 66.96 2wae h THR 514 CO 0.03 0.10 0.02 -1.13 -0.25 0.00 0.00 175.52 174.29 2wae h ASN 515 N 0.57 0.00 0.06 5.36 -1.24 -0.42 -0.51 115.58 119.40 2wae h ASN 515 Ca 0.33 0.00 -0.07 0.00 0.71 0.00 0.00 56.30 57.27 2wae h ASN 515 Cb 0.52 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.56 2wae h ASN 515 CO -0.11 0.00 -0.22 0.00 -1.29 0.00 0.00 177.43 175.81 2wae h ALA 516 N 1.99 1.32 -0.46 1.57 0.00 -0.82 -2.64 119.26 120.22 2wae h ALA 516 Ca 0.01 -0.29 -0.21 0.00 0.00 0.00 0.00 54.91 54.42 2wae h ALA 516 Cb 0.04 -0.10 -0.13 0.00 0.00 0.00 0.00 17.79 17.61 2wae h ALA 516 CO -0.00 0.46 0.06 1.97 0.00 0.00 0.00 179.25 181.74 2wae n PHE 517 N -4.18 1.43 -2.22 0.00 -1.74 -0.67 -4.68 117.46 105.41 2wae n PHE 517 Ca -0.01 -1.53 -0.06 0.00 -0.56 0.00 0.00 57.45 55.30 2wae n PHE 517 Cb 0.35 -0.55 0.00 0.00 1.52 0.00 0.00 39.48 40.80 2wae n PHE 517 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2wae n GLY 518 N -1.01 0.22 1.47 4.97 0.00 -0.99 -3.90 105.19 105.95 2wae n GLY 518 Ca 0.36 -0.62 -0.10 0.00 0.00 0.00 0.00 46.02 45.66 2wae n GLY 518 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wae n GLN 519 N -1.55 2.59 0.05 1.61 1.13 -0.29 -1.10 117.38 119.82 2wae n GLN 519 Ca -0.05 -3.72 0.00 0.00 -1.94 0.00 0.00 57.00 51.29 2wae n GLN 519 Cb 0.54 -1.90 0.00 0.00 0.11 0.00 0.00 30.24 28.99 2wae n GLN 519 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2wae n PHE 520 N -0.82 -1.30 -2.32 1.08 7.35 -1.26 -4.62 117.46 115.57 2wae n PHE 520 Ca 0.31 0.21 -0.41 0.00 -0.76 0.00 0.00 57.45 56.81 2wae n PHE 520 Cb 0.86 0.76 -0.03 0.00 0.35 0.00 0.00 39.48 41.41 2wae n PHE 520 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 2wae s ASP 521 N -3.63 7.05 -0.11 -2.13 1.01 -1.26 -4.97 116.67 112.62 2wae s ASP 521 Ca 0.00 2.40 -0.06 0.00 0.71 0.00 0.00 52.55 55.60 2wae s ASP 521 Cb 0.00 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.26 2wae s ASP 521 CO 0.00 -0.35 0.10 0.20 0.21 0.00 0.00 175.17 175.33 2wae s ASN 522 N -0.42 6.05 0.25 0.27 0.02 -0.63 -4.34 114.94 116.13 2wae s ASN 522 Ca 0.49 0.37 0.04 0.00 -1.02 0.00 0.00 52.86 52.74 2wae s ASN 522 Cb -0.35 -1.89 -0.05 0.00 0.02 0.00 0.00 41.25 38.97 2wae s ASN 522 CO 0.43 0.40 -0.00 -0.31 0.02 0.00 0.00 177.10 177.64 2wae s TYR 523 N -0.97 1.68 0.47 2.20 2.02 -0.14 -1.32 117.35 121.30 2wae s TYR 523 Ca 0.14 -0.90 -0.04 0.00 -0.37 0.00 0.00 57.07 55.91 2wae s TYR 523 Cb -0.12 -0.99 -0.03 0.00 -0.40 0.00 0.00 41.96 40.42 2wae s TYR 523 CO 0.03 0.01 0.74 0.95 -1.57 0.00 0.00 175.55 175.72 2wae s THR 524 N -3.34 4.71 0.46 -0.71 -4.23 -1.26 -0.19 115.64 111.07 2wae s THR 524 Ca 0.30 -0.02 0.11 0.00 -1.18 0.00 0.00 61.69 60.90 2wae s THR 524 Cb 0.06 -3.78 0.26 0.00 1.34 0.00 0.00 72.50 70.38 2wae s THR 524 CO 0.10 -0.70 2.10 -0.65 -0.54 0.00 0.00 174.62 174.93 2wae h PRO 525 N 0.29 0.29 -0.46 3.99 0.11 -1.71 -2.24 132.00 132.28 2wae h PRO 525 Ca -0.47 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 2wae h PRO 525 Cb 1.22 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 2wae h PRO 525 CO 0.61 0.20 0.05 1.98 -0.21 0.00 0.00 178.00 180.63 2wae h MET 526 N 0.30 0.78 -0.93 1.05 4.05 -1.50 -1.97 114.93 116.70 2wae h MET 526 Ca 0.08 -0.22 0.01 0.00 -0.28 0.00 0.00 59.70 59.28 2wae h MET 526 Cb -0.02 -0.08 -0.05 0.00 -0.80 0.00 0.00 31.60 30.65 2wae h MET 526 CO -0.02 0.81 0.61 1.96 0.23 0.00 0.00 176.91 180.50 2wae h GLN 527 N 0.64 1.24 -0.18 0.39 4.20 -1.69 -0.97 115.11 118.74 2wae h GLN 527 Ca 0.14 -0.08 -0.11 0.00 0.06 0.00 0.00 58.65 58.65 2wae h GLN 527 Cb 0.43 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 2wae h GLN 527 CO 0.01 0.83 -0.38 -0.07 -0.67 0.00 0.00 178.83 178.55 2wae h LEU 528 N 1.27 0.41 -0.30 1.46 3.38 -1.27 -1.74 115.31 118.52 2wae h LEU 528 Ca 0.34 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 2wae h LEU 528 Cb -0.13 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 2wae h LEU 528 CO -0.07 0.76 -0.11 0.00 0.09 0.00 0.00 178.44 179.11 2wae h ALA 529 N 1.27 0.42 -0.83 1.53 0.00 -0.97 -2.81 119.26 117.87 2wae h ALA 529 Ca 0.03 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.64 2wae h ALA 529 Cb 0.82 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 2wae h ALA 529 CO 0.07 0.28 0.55 0.37 0.00 0.00 0.00 179.25 180.51 2wae h GLN 530 N 0.36 1.09 0.20 0.00 4.15 -1.01 -0.28 115.11 119.63 2wae h GLN 530 Ca 0.07 -0.07 0.01 0.00 0.77 0.00 0.00 58.65 59.43 2wae h GLN 530 Cb 0.61 -0.25 -0.02 0.00 0.21 0.00 0.00 27.48 28.04 2wae h GLN 530 CO 0.04 0.72 -0.24 -0.92 -1.93 0.00 0.00 178.83 176.50 2wae h TYR 531 N 1.13 -0.65 0.00 3.99 3.20 -1.10 0.25 116.97 123.79 2wae h TYR 531 Ca 0.30 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.10 2wae h TYR 531 Cb -0.13 0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 2wae h TYR 531 CO 0.00 -0.35 -0.37 -0.24 -1.64 0.00 0.00 178.16 175.56 2wae h VAL 532 N -0.50 0.76 -0.19 1.81 3.04 -1.39 -2.13 116.25 117.66 2wae h VAL 532 Ca 0.01 -1.63 -0.11 0.00 -1.01 0.00 0.00 66.70 63.95 2wae h VAL 532 Cb 0.48 2.05 -0.01 0.00 -2.01 0.00 0.00 31.29 31.80 2wae h VAL 532 CO -0.08 0.36 -0.36 0.00 -1.01 0.00 0.00 177.57 176.48 2wae h ALA 533 N 1.63 1.03 -0.42 3.17 0.00 -0.76 -1.59 119.26 122.33 2wae h ALA 533 Ca -0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 2wae h ALA 533 Cb 1.02 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2wae h ALA 533 CO 0.05 0.60 0.23 1.15 0.00 0.00 0.00 179.25 181.28 2wae h THR 534 N 0.34 1.16 -0.50 0.00 2.02 0.06 0.16 112.91 116.15 2wae h THR 534 Ca 0.04 -0.40 -0.03 0.00 0.77 0.00 0.00 66.41 66.78 2wae h THR 534 Cb 0.80 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 2wae h THR 534 CO 0.06 0.16 0.17 0.40 0.37 0.00 0.00 175.52 176.69 2wae h ILE 535 N 0.55 1.19 0.00 3.11 2.04 -1.22 0.82 117.51 124.01 2wae h ILE 535 Ca 0.15 -0.64 -0.13 0.00 1.00 0.00 0.00 64.86 65.24 2wae h ILE 535 Cb 0.05 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 2wae h ILE 535 CO -0.02 0.25 -0.62 0.00 0.00 0.00 0.00 178.15 177.75 2wae h ALA 536 N 1.48 0.96 -0.74 1.87 0.00 -0.73 -2.82 119.26 119.27 2wae h ALA 536 Ca 0.17 -0.57 -0.31 0.00 0.00 0.00 0.00 54.91 54.20 2wae h ALA 536 Cb 0.19 -0.10 -0.19 0.00 0.00 0.00 0.00 17.79 17.69 2wae h ALA 536 CO -0.01 0.78 0.39 -1.71 0.00 0.00 0.00 179.25 178.70 2wae n ASN 537 N -3.78 4.06 -3.73 0.00 5.15 0.50 -4.78 115.26 112.68 2wae n ASN 537 Ca -0.01 -3.20 -0.26 0.00 -0.60 0.00 0.00 54.58 50.51 2wae n ASN 537 Cb 0.62 -0.75 0.06 0.00 -0.53 0.00 0.00 39.78 39.18 2wae n ASN 537 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2wae n ASN 538 N -0.47 -5.50 0.00 1.20 3.02 -1.06 -2.46 115.26 109.98 2wae n ASN 538 Ca 0.43 -0.65 0.00 0.00 -0.03 0.00 0.00 54.58 54.33 2wae n ASN 538 Cb 1.37 -4.53 0.00 0.00 -0.61 0.00 0.00 39.78 36.01 2wae n ASN 538 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wae n GLY 539 N -1.85 1.77 3.55 7.41 0.00 0.24 -4.95 105.19 111.37 2wae n GLY 539 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 2wae n GLY 539 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wae s VAL 540 N -2.33 4.38 -0.10 1.61 1.01 -1.03 -1.55 120.40 122.38 2wae s VAL 540 Ca 0.00 0.59 -0.25 0.00 0.00 0.00 0.00 61.98 62.32 2wae s VAL 540 Cb 0.00 -4.51 -0.03 0.00 0.00 0.00 0.00 36.38 31.84 2wae s VAL 540 CO 0.00 -1.01 0.79 -0.60 0.00 0.00 0.00 175.10 174.29 2wae s ARG 541 N 3.98 4.39 -0.00 2.72 3.52 -0.66 -4.70 118.95 128.19 2wae s ARG 541 Ca 0.35 1.00 0.03 0.00 -0.13 0.00 0.00 55.73 56.99 2wae s ARG 541 Cb -0.11 -3.50 -0.03 0.00 -1.56 0.00 0.00 34.95 29.75 2wae s ARG 541 CO 0.24 -0.12 -0.08 -0.51 -0.81 0.00 0.00 175.30 174.02 2wae s LEU 542 N 1.41 3.11 0.07 -0.88 1.43 -1.26 -1.27 118.68 121.27 2wae s LEU 542 Ca 0.40 -0.16 -0.31 0.00 -1.03 0.00 0.00 54.13 53.03 2wae s LEU 542 Cb -0.18 -1.77 -0.08 0.00 0.03 0.00 0.00 46.19 44.20 2wae s LEU 542 CO 0.17 0.29 1.54 0.00 0.23 0.00 0.00 176.35 178.58 2wae s ALA 543 N -0.96 3.65 0.37 4.21 0.00 -0.65 -4.92 121.76 123.46 2wae s ALA 543 Ca 0.16 1.12 -0.26 0.00 0.00 0.00 0.00 51.96 52.99 2wae s ALA 543 Cb -0.11 -3.64 -0.09 0.00 0.00 0.00 0.00 23.12 19.28 2wae s ALA 543 CO 0.06 -0.95 1.09 -2.14 0.00 0.00 0.00 175.76 173.82 2wae s PRO 544 N 2.20 4.26 -0.01 0.00 0.02 -1.26 -4.63 135.00 135.59 2wae s PRO 544 Ca 0.69 1.67 0.02 0.00 0.02 0.00 0.00 61.00 63.40 2wae s PRO 544 Cb -0.37 -2.74 -0.00 0.00 0.02 0.00 0.00 34.50 31.40 2wae s PRO 544 CO 0.30 -0.09 -0.06 -3.38 -0.33 0.00 0.00 177.00 173.44 2wae s HIS 545 N -1.47 0.61 -0.22 6.54 -3.43 -0.68 -3.53 115.29 113.11 2wae s HIS 545 Ca 0.54 -0.12 0.22 0.00 -0.80 0.00 0.00 55.06 54.91 2wae s HIS 545 Cb -0.27 -0.41 -0.08 0.00 -1.43 0.00 0.00 32.58 30.40 2wae s HIS 545 CO 0.34 -0.03 0.90 -0.89 -2.00 0.00 0.00 174.74 173.06 2wae n ILE 546 N 3.03 0.41 -3.76 -5.38 5.41 -1.26 -1.90 119.36 115.91 2wae n ILE 546 Ca -0.14 -0.50 -0.37 0.00 1.00 0.00 0.00 62.75 62.73 2wae n ILE 546 Cb 0.57 -0.20 -0.06 0.00 -0.71 0.00 0.00 39.64 39.24 2wae n ILE 546 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2wae s VAL 547 N -3.39 5.37 -0.21 1.39 1.01 -1.26 -0.20 120.40 123.11 2wae s VAL 547 Ca -0.02 0.40 -0.16 0.00 0.00 0.00 0.00 61.98 62.20 2wae s VAL 547 Cb 0.11 -3.49 -0.10 0.00 0.00 0.00 0.00 36.38 32.90 2wae s VAL 547 CO 0.82 0.60 -0.20 1.21 0.00 0.00 0.00 175.10 177.54 2wae n GLU 548 N 1.97 0.54 -4.01 2.72 0.00 0.16 -4.70 120.64 117.32 2wae n GLU 548 Ca -0.18 0.37 -0.10 0.00 0.00 0.00 0.00 57.16 57.25 2wae n GLU 548 Cb 0.54 -1.57 -0.07 0.00 0.00 0.00 0.00 31.44 30.34 2wae n GLU 548 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 2wae s GLY 549 N -4.92 0.67 -0.16 8.31 0.00 -1.22 -0.69 107.32 109.31 2wae s GLY 549 Ca -0.29 -1.02 -0.08 0.00 0.00 0.00 0.00 44.72 43.33 2wae s GLY 549 CO 0.43 -0.85 0.12 -0.42 0.00 0.00 0.00 173.10 172.38 2wae s ILE 550 N -4.02 5.32 0.15 0.90 1.09 0.03 -1.96 121.20 122.70 2wae s ILE 550 Ca 0.23 0.15 0.09 0.00 -1.10 0.00 0.00 60.65 60.02 2wae s ILE 550 Cb 0.02 -3.37 -0.04 0.00 -1.06 0.00 0.00 42.46 38.01 2wae s ILE 550 CO 0.05 0.52 -0.21 -0.31 -0.10 0.00 0.00 174.94 174.89 2wae s TYR 551 N -0.22 1.97 0.57 3.97 1.51 0.24 -0.49 117.35 124.91 2wae s TYR 551 Ca 0.10 -0.42 -0.08 0.00 -1.01 0.00 0.00 57.07 55.66 2wae s TYR 551 Cb -0.12 -1.02 0.13 0.00 -0.11 0.00 0.00 41.96 40.84 2wae s TYR 551 CO 0.01 0.33 0.78 -3.47 -1.11 0.00 0.00 175.55 172.08 2wae n ASP 552 N 0.62 0.24 -4.65 2.29 -0.08 0.16 0.56 116.55 115.69 2wae n ASP 552 Ca -0.16 -1.39 -0.32 0.00 -1.51 0.00 0.00 54.79 51.41 2wae n ASP 552 Cb 0.55 -0.58 -0.09 0.00 2.34 0.00 0.00 41.12 43.34 2wae n ASP 552 CO 0.00 0.00 0.00 0.20 0.12 0.00 0.00 177.20 177.52 2wae s ASN 553 N -3.90 4.95 0.00 1.67 -0.87 -1.26 -1.07 114.94 114.46 2wae s ASN 553 Ca 0.45 -0.06 0.00 0.00 -1.57 0.00 0.00 52.86 51.69 2wae s ASN 553 Cb -0.01 -1.24 0.00 0.00 -0.02 0.00 0.00 41.25 39.97 2wae s ASN 553 CO 0.31 0.28 0.00 -0.46 -2.57 0.00 0.00 177.10 174.67 2wae n ASN 554 N 1.44 0.00 0.18 -1.22 0.23 0.52 -4.63 115.26 111.79 2wae n ASN 554 Ca -0.15 0.00 0.02 0.00 -0.53 0.00 0.00 54.58 53.93 2wae n ASN 554 Cb 0.53 0.00 0.37 0.00 -2.08 0.00 0.00 39.78 38.59 2wae n ASN 554 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2wae h ASP 555 N 0.00 0.03 -2.12 0.53 5.19 -1.97 -3.32 116.42 114.75 2wae h ASP 555 Ca 0.00 -0.01 -0.55 0.00 -0.62 0.00 0.00 57.03 55.85 2wae h ASP 555 Cb 0.00 -0.01 -0.41 0.00 0.18 0.00 0.00 39.33 39.10 2wae h ASP 555 CO 0.00 0.37 -0.90 2.29 -3.12 0.00 0.00 179.24 177.88 2wae n LYS 556 N -4.13 1.86 -3.68 3.56 -0.00 -1.26 -4.99 118.16 109.52 2wae n LYS 556 Ca -0.02 -4.02 -0.22 0.00 -0.00 0.00 0.00 58.31 54.05 2wae n LYS 556 Cb 0.38 -1.85 0.03 0.00 -0.00 0.00 0.00 35.03 33.59 2wae n LYS 556 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2wae n GLY 557 N 0.52 -0.38 3.37 2.58 0.00 -1.25 -5.00 105.19 105.02 2wae n GLY 557 Ca 0.27 0.17 -0.10 0.00 0.00 0.00 0.00 46.02 46.36 2wae n GLY 557 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wae s GLY 558 N -4.25 0.76 -0.60 -0.02 0.00 -1.26 -4.95 107.32 97.00 2wae s GLY 558 Ca 0.06 -1.12 -0.37 0.00 0.00 0.00 0.00 44.72 43.29 2wae s GLY 558 CO 0.81 -0.94 2.33 -0.10 0.00 0.00 0.00 173.10 175.20 2wae n LEU 559 N -0.27 1.07 0.00 0.66 7.94 -1.26 -0.35 117.00 124.79 2wae n LEU 559 Ca -0.03 0.39 0.00 0.00 -1.11 0.00 0.00 56.01 55.25 2wae n LEU 559 Cb 0.63 -1.04 0.00 0.00 0.53 0.00 0.00 43.42 43.54 2wae n LEU 559 CO 0.26 -0.81 0.00 0.61 -1.11 0.00 0.00 177.39 176.35 2wae n GLY 560 N 6.88 1.28 3.93 -3.96 0.00 -0.23 -4.52 105.19 108.56 2wae n GLY 560 Ca 0.53 -1.05 -0.20 0.00 0.00 0.00 0.00 46.02 45.30 2wae n GLY 560 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2wae s GLU 561 N 3.50 2.54 0.10 1.61 -1.05 -1.26 -4.66 118.70 119.48 2wae s GLU 561 Ca 0.00 -1.54 -0.31 0.00 -0.15 0.00 0.00 54.97 52.97 2wae s GLU 561 Cb 0.00 -2.46 -0.07 0.00 -0.44 0.00 0.00 34.13 31.16 2wae s GLU 561 CO 0.00 -0.33 1.35 -1.17 0.95 0.00 0.00 175.26 176.06 2wae s LEU 562 N -4.25 4.37 -0.15 1.83 2.96 -1.26 -0.66 118.68 121.51 2wae s LEU 562 Ca 0.50 2.26 -0.14 0.00 -0.22 0.00 0.00 54.13 56.52 2wae s LEU 562 Cb -0.05 -3.59 -0.05 0.00 0.50 0.00 0.00 46.19 43.01 2wae s LEU 562 CO 0.29 -0.61 -0.28 -0.38 -1.32 0.00 0.00 176.35 174.06 2wae n ILE 563 N 3.91 1.29 -3.52 6.68 2.08 0.36 -4.87 119.36 125.29 2wae n ILE 563 Ca 0.11 0.20 -0.19 0.00 0.56 0.00 0.00 62.75 63.43 2wae n ILE 563 Cb 0.43 -2.25 -0.13 0.00 -0.75 0.00 0.00 39.64 36.94 2wae n ILE 563 CO 0.00 0.00 0.00 -1.58 0.56 0.00 0.00 176.55 175.53 2wae s GLN 564 N -2.55 0.17 -0.06 0.38 0.74 -1.03 -4.98 119.66 112.33 2wae s GLN 564 Ca -0.23 0.23 -0.30 0.00 0.05 0.00 0.00 55.36 55.12 2wae s GLN 564 Cb 0.03 -1.13 -0.04 0.00 1.10 0.00 0.00 33.01 32.97 2wae s GLN 564 CO 0.34 -0.61 1.31 0.00 -0.55 0.00 0.00 175.29 175.78 2wae s ALA 565 N 2.31 3.57 -0.13 1.58 0.00 -1.26 -0.79 121.76 127.04 2wae s ALA 565 Ca 0.06 0.70 -0.29 0.00 0.00 0.00 0.00 51.96 52.43 2wae s ALA 565 Cb -0.15 -3.58 -0.06 0.00 0.00 0.00 0.00 23.12 19.33 2wae s ALA 565 CO -0.11 -0.94 1.98 0.42 0.00 0.00 0.00 175.76 177.11 2wae s ILE 566 N 2.65 3.18 0.33 0.00 1.01 0.13 -4.96 121.20 123.54 2wae s ILE 566 Ca 0.60 0.21 0.03 0.00 0.00 0.00 0.00 60.65 61.48 2wae s ILE 566 Cb -0.27 -3.19 -0.02 0.00 0.01 0.00 0.00 42.46 38.99 2wae s ILE 566 CO 0.23 -0.08 0.50 -1.81 0.00 0.00 0.00 174.94 173.77 2wae s ASP 567 N 5.92 6.20 0.55 3.58 1.01 -1.26 -4.87 116.67 127.79 2wae s ASP 567 Ca 0.89 0.23 -0.21 0.00 0.71 0.00 0.00 52.55 54.17 2wae s ASP 567 Cb -0.34 -1.81 -0.05 0.00 1.01 0.00 0.00 42.92 41.73 2wae s ASP 567 CO 0.36 -0.30 1.30 -0.89 0.21 0.00 0.00 175.17 175.85 2wae s THR 568 N -2.23 2.31 -0.17 -1.27 2.01 -1.26 -5.02 115.64 110.02 2wae s THR 568 Ca 0.40 0.23 -0.00 0.00 0.31 0.00 0.00 61.69 62.62 2wae s THR 568 Cb -0.09 -3.11 0.04 0.00 0.01 0.00 0.00 72.50 69.35 2wae s THR 568 CO 0.34 -0.01 -0.06 -0.75 -0.69 0.00 0.00 174.62 173.44 2wae s LYS 569 N -2.97 1.56 0.25 4.92 2.20 -1.26 -5.08 119.74 119.36 2wae s LYS 569 Ca 0.72 -0.56 -0.30 0.00 -0.36 0.00 0.00 55.97 55.47 2wae s LYS 569 Cb -0.37 -2.06 -0.09 0.00 -1.51 0.00 0.00 37.83 33.80 2wae s LYS 569 CO 0.43 -0.42 0.96 -1.21 -0.36 0.00 0.00 175.35 174.75 2wae s GLU 570 N 1.59 4.82 -0.16 4.03 8.01 -1.26 -1.64 118.70 134.09 2wae s GLU 570 Ca 0.01 1.52 -0.05 0.00 0.01 0.00 0.00 54.97 56.45 2wae s GLU 570 Cb -0.15 -3.25 -0.08 0.00 -4.31 0.00 0.00 34.13 26.35 2wae s GLU 570 CO -0.08 0.47 -0.18 -0.89 0.01 0.00 0.00 175.26 174.59 2wae n ILE 571 N 1.41 0.86 -3.89 -1.63 5.41 -0.40 -4.90 119.36 116.21 2wae n ILE 571 Ca -0.02 -0.25 -0.08 0.00 1.00 0.00 0.00 62.75 63.41 2wae n ILE 571 Cb 0.47 -1.52 -0.03 0.00 -0.71 0.00 0.00 39.64 37.85 2wae n ILE 571 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2wae s ASN 572 N -6.14 -0.21 -0.12 4.38 4.22 -1.25 -5.05 114.94 110.78 2wae s ASN 572 Ca -0.21 -0.70 0.02 0.00 -2.14 0.00 0.00 52.86 49.83 2wae s ASN 572 Cb 0.08 0.68 -0.00 0.00 1.28 0.00 0.00 41.25 43.28 2wae s ASN 572 CO 0.30 -1.27 -0.19 -0.75 -2.04 0.00 0.00 177.10 173.14 2wae s LYS 573 N -3.95 3.18 0.17 3.55 2.20 -1.26 -1.65 119.74 121.98 2wae s LYS 573 Ca 0.14 -0.80 -0.33 0.00 -0.36 0.00 0.00 55.97 54.63 2wae s LYS 573 Cb -0.04 -2.46 -0.13 0.00 -1.51 0.00 0.00 37.83 33.69 2wae s LYS 573 CO 0.07 0.16 1.68 0.28 -0.36 0.00 0.00 175.35 177.18 2wae n VAL 574 N 3.62 0.06 -1.28 4.02 0.31 -0.60 -4.85 118.33 119.60 2wae n VAL 574 Ca -0.19 -0.01 -0.38 0.00 -0.01 0.00 0.00 64.34 63.75 2wae n VAL 574 Cb 0.53 -1.81 -0.03 0.00 -0.91 0.00 0.00 33.84 31.61 2wae n VAL 574 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2wae n ASN 575 N 4.00 8.57 -4.30 4.52 3.02 -1.26 -4.85 115.26 124.97 2wae n ASN 575 Ca 0.17 -2.56 -0.18 0.00 -0.03 0.00 0.00 54.58 51.98 2wae n ASN 575 Cb 0.32 -1.54 -0.10 0.00 -0.61 0.00 0.00 39.78 37.85 2wae n ASN 575 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2wae s ILE 576 N 2.17 1.52 0.86 2.41 -4.36 -1.26 -4.68 121.20 117.86 2wae s ILE 576 Ca 0.69 -2.02 -0.13 0.00 -0.26 0.00 0.00 60.65 58.93 2wae s ILE 576 Cb 0.18 -1.85 0.07 0.00 1.25 0.00 0.00 42.46 42.11 2wae s ILE 576 CO -0.06 -0.55 0.90 -1.20 0.24 0.00 0.00 174.94 174.27 2wae n SER 577 N -0.04 -0.21 -0.11 4.36 7.64 -1.26 -4.82 113.62 119.18 2wae n SER 577 Ca -0.11 0.48 -0.01 0.00 1.01 0.00 0.00 58.87 60.25 2wae n SER 577 Cb 0.59 -1.39 0.25 0.00 -1.01 0.00 0.00 64.21 62.66 2wae n SER 577 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2wae h GLU 578 N -1.24 0.77 -0.02 1.43 4.57 -1.98 -0.98 114.58 117.14 2wae h GLU 578 Ca -0.45 -0.12 -0.20 0.00 -1.18 0.00 0.00 59.36 57.42 2wae h GLU 578 Cb 1.29 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.74 2wae h GLU 578 CO 0.41 0.64 -0.84 0.66 -1.18 0.00 0.00 179.01 178.70 2wae h SER 579 N 0.76 0.37 -0.51 1.04 4.64 -1.99 -1.40 113.55 116.46 2wae h SER 579 Ca 0.18 -0.28 -0.02 0.00 -0.47 0.00 0.00 61.79 61.21 2wae h SER 579 Cb 0.17 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 2wae h SER 579 CO -0.02 1.06 0.26 0.44 -0.87 0.00 0.00 176.83 177.70 2wae h ASP 580 N 0.17 0.66 -0.92 4.97 3.45 -1.89 -0.66 116.42 122.21 2wae h ASP 580 Ca -0.05 -0.12 0.02 0.00 0.43 0.00 0.00 57.03 57.32 2wae h ASP 580 Cb 1.45 -0.17 -0.05 0.00 -0.56 0.00 0.00 39.33 40.01 2wae h ASP 580 CO 0.14 0.59 0.60 -0.03 -1.57 0.00 0.00 179.24 178.96 2wae h MET 581 N 0.68 1.16 -0.09 3.56 4.05 -1.02 -1.64 114.93 121.63 2wae h MET 581 Ca 0.18 -0.07 -0.02 0.00 -0.28 0.00 0.00 59.70 59.51 2wae h MET 581 Cb 0.09 -0.26 -0.01 0.00 -0.80 0.00 0.00 31.60 30.62 2wae h MET 581 CO -0.02 0.77 -0.02 0.00 0.23 0.00 0.00 176.91 177.87 2wae h ALA 582 N 1.36 1.80 -0.29 0.39 0.00 -0.89 -1.36 119.26 120.27 2wae h ALA 582 Ca 0.35 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 55.08 2wae h ALA 582 Cb -0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2wae h ALA 582 CO -0.10 0.16 -0.24 0.82 0.00 0.00 0.00 179.25 179.89 2wae h ILE 583 N 0.13 1.27 -0.15 0.00 2.04 -0.17 -0.79 117.51 119.83 2wae h ILE 583 Ca 0.03 -1.27 -0.15 0.00 1.00 0.00 0.00 64.86 64.47 2wae h ILE 583 Cb 0.13 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 2wae h ILE 583 CO 0.00 0.41 -0.54 -0.07 0.00 0.00 0.00 178.15 177.95 2wae h LEU 584 N 0.48 0.49 -0.94 1.44 3.38 -0.88 -1.42 115.31 117.87 2wae h LEU 584 Ca 0.07 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 57.70 2wae h LEU 584 Cb 0.68 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 2wae h LEU 584 CO 0.05 0.94 -0.14 0.45 0.09 0.00 0.00 178.44 179.83 2wae h HIS 585 N 0.34 0.68 -0.25 1.13 3.86 -1.06 -1.14 115.15 118.71 2wae h HIS 585 Ca 0.01 -0.12 -0.08 0.00 -1.16 0.00 0.00 60.37 59.02 2wae h HIS 585 Cb 1.06 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 29.35 2wae h HIS 585 CO 0.04 0.73 -0.16 0.37 0.86 0.00 0.00 177.93 179.76 2wae h GLN 586 N 0.56 0.54 -0.10 2.45 5.75 -0.94 -2.34 115.11 121.03 2wae h GLN 586 Ca 0.10 -0.26 0.04 0.00 -0.15 0.00 0.00 58.65 58.38 2wae h GLN 586 Cb 0.56 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 29.07 2wae h GLN 586 CO 0.04 0.83 -0.15 0.78 -2.65 0.00 0.00 178.83 177.68 2wae h GLY 587 N 0.26 -0.10 2.00 2.39 0.00 -1.10 -0.93 103.07 105.59 2wae h GLY 587 Ca 0.05 0.18 -0.06 0.00 0.00 0.00 0.00 47.33 47.50 2wae h GLY 587 CO 0.05 -0.15 -0.26 0.74 0.00 0.00 0.00 176.54 176.91 2wae h PHE 588 N -0.19 0.00 -0.10 5.60 -1.00 -1.17 -1.38 116.94 118.70 2wae h PHE 588 Ca 0.08 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.76 2wae h PHE 588 Cb 0.32 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.88 2wae h PHE 588 CO -0.25 0.26 -0.35 -0.92 -1.61 0.00 0.00 178.31 175.44 2wae h TYR 589 N 0.00 0.55 0.00 -0.55 3.20 -1.07 -1.31 116.97 117.79 2wae h TYR 589 Ca -0.00 -0.23 -0.02 0.00 3.14 0.00 0.00 58.73 61.62 2wae h TYR 589 Cb 0.52 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.70 2wae h TYR 589 CO 0.00 0.96 -0.11 1.96 -1.64 0.00 0.00 178.16 179.33 2wae h GLN 590 N -0.02 0.00 -0.81 1.82 4.20 -0.66 0.55 115.11 120.19 2wae h GLN 590 Ca -0.01 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.77 2wae h GLN 590 Cb 0.98 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.69 2wae h GLN 590 CO 0.07 0.11 0.48 0.28 -0.67 0.00 0.00 178.83 179.11 2wae h VAL 591 N 0.00 0.96 0.00 -0.54 2.07 -1.30 -1.15 116.25 116.30 2wae h VAL 591 Ca -0.00 -0.29 -0.11 0.00 0.82 0.00 0.00 66.70 67.12 2wae h VAL 591 Cb 0.63 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 2wae h VAL 591 CO 0.01 0.15 -1.60 -1.54 0.02 0.00 0.00 177.57 174.62 2wae n SER 592 N -4.71 0.52 -0.37 0.57 3.41 -0.94 -1.03 113.62 111.05 2wae n SER 592 Ca 0.12 0.22 0.03 0.00 -0.26 0.00 0.00 58.87 58.98 2wae n SER 592 Cb 0.23 0.83 0.09 0.00 -0.26 0.00 0.00 64.21 65.10 2wae n SER 592 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2wae n HIS 593 N -2.65 0.26 -1.84 7.33 -0.00 0.14 -4.37 115.22 114.09 2wae n HIS 593 Ca -0.09 -0.48 -0.30 0.00 -0.00 0.00 0.00 57.72 56.85 2wae n HIS 593 Cb 0.74 -0.03 0.05 0.00 -0.00 0.00 0.00 29.99 30.74 2wae n HIS 593 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 2wae s GLY 594 N -0.98 1.63 0.00 -1.41 0.00 -0.44 -4.94 107.32 101.18 2wae s GLY 594 Ca 0.13 -0.30 0.00 0.00 0.00 0.00 0.00 44.72 44.56 2wae s GLY 594 CO 0.09 0.07 0.72 -1.30 0.00 0.00 0.00 173.10 172.68 2wae n THR 595 N -3.03 0.47 -2.26 0.90 -2.24 -1.26 -4.95 114.28 101.91 2wae n THR 595 Ca 0.07 -0.70 -0.33 0.00 -2.27 0.00 0.00 64.05 60.81 2wae n THR 595 Cb 0.57 0.80 -0.01 0.00 -2.10 0.00 0.00 70.33 69.59 2wae n THR 595 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2wae s SER 596 N -0.47 6.02 0.64 3.42 0.15 -1.26 -4.93 113.70 117.27 2wae s SER 596 Ca 0.00 1.87 0.35 0.00 0.70 0.00 0.00 55.95 58.87 2wae s SER 596 Cb 0.00 -2.55 1.94 0.00 -1.71 0.00 0.00 66.02 63.70 2wae s SER 596 CO 0.00 -1.01 2.15 -0.65 1.20 0.00 0.00 173.24 174.93 2wae h PRO 597 N 0.92 0.00 -0.01 5.44 0.10 -2.04 -2.27 132.00 134.15 2wae h PRO 597 Ca -0.48 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.62 2wae h PRO 597 Cb 1.22 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.32 2wae h PRO 597 CO 0.58 0.00 -0.46 1.28 0.10 0.00 0.00 178.00 179.50 2wae n LEU 598 N -3.26 1.42 -4.69 2.35 4.77 -1.26 -4.91 117.00 111.41 2wae n LEU 598 Ca -0.01 -0.48 -0.45 0.00 -0.03 0.00 0.00 56.01 55.04 2wae n LEU 598 Cb 0.24 -0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.23 2wae n LEU 598 CO 0.20 0.27 1.30 0.41 -1.33 0.00 0.00 177.39 178.25 2wae n THR 599 N -0.54 0.08 0.03 -5.08 -1.04 -0.86 -4.30 114.28 102.58 2wae n THR 599 Ca 0.09 -0.02 0.11 0.00 -2.04 0.00 0.00 64.05 62.20 2wae n THR 599 Cb 0.40 -1.77 -0.12 0.00 -1.82 0.00 0.00 70.33 67.03 2wae n THR 599 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2wae n THR 600 N 3.86 0.22 -2.35 12.58 -2.24 -0.93 -4.65 114.28 120.76 2wae n THR 600 Ca 0.17 -0.52 -0.16 0.00 -2.27 0.00 0.00 64.05 61.27 2wae n THR 600 Cb 0.32 -0.12 0.03 0.00 -2.10 0.00 0.00 70.33 68.46 2wae n THR 600 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wae n GLY 601 N 1.24 4.65 0.25 3.38 0.00 -0.20 -4.79 105.19 109.71 2wae n GLY 601 Ca -0.03 -2.09 0.17 0.00 0.00 0.00 0.00 46.02 44.07 2wae n GLY 601 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2wae h ARG 602 N 2.39 0.00 0.00 1.61 3.08 -1.75 -2.19 114.38 117.53 2wae h ARG 602 Ca 0.18 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.20 2wae h ARG 602 Cb 1.38 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.43 2wae h ARG 602 CO 0.57 0.00 -0.13 0.00 -1.07 0.00 0.00 179.97 179.34 2wae h ALA 603 N 2.05 1.47 -0.90 0.04 0.00 -1.87 -1.93 119.26 118.12 2wae h ALA 603 Ca 0.00 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 54.87 2wae h ALA 603 Cb 0.21 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 2wae h ALA 603 CO 0.00 0.16 0.58 0.74 0.00 0.00 0.00 179.25 180.73 2wae h PHE 604 N 0.00 1.01 0.00 0.00 0.04 -1.64 -2.82 116.94 113.54 2wae h PHE 604 Ca -0.00 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.75 2wae h PHE 604 Cb 0.28 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 38.10 2wae h PHE 604 CO 0.00 0.50 -0.73 0.77 -0.60 0.00 0.00 178.31 178.25 2wae h SER 605 N 0.97 0.00 -0.81 2.17 0.02 -1.54 -3.41 113.55 110.94 2wae h SER 605 Ca 0.40 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 61.11 2wae h SER 605 Cb 0.29 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.80 2wae h SER 605 CO -0.16 0.16 0.65 -0.62 -1.14 0.00 0.00 176.83 175.73 2wae s ASP 606 N -5.81 4.74 0.00 3.07 2.15 -1.06 -1.42 116.67 118.34 2wae s ASP 606 Ca 0.02 -0.24 0.00 0.00 0.43 0.00 0.00 52.55 52.76 2wae s ASP 606 Cb 0.08 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 2wae s ASP 606 CO 0.75 -3.05 0.00 0.61 -0.17 0.00 0.00 175.17 173.32 2wae n GLY 607 N 6.66 0.65 3.75 2.66 0.00 -1.26 -5.04 105.19 112.60 2wae n GLY 607 Ca 0.40 -0.75 -0.40 0.00 0.00 0.00 0.00 46.02 45.27 2wae n GLY 607 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wae s ALA 608 N -2.00 3.35 -0.45 4.61 0.00 -0.51 -4.96 121.76 121.81 2wae s ALA 608 Ca 0.00 0.36 0.23 0.00 0.00 0.00 0.00 51.96 52.56 2wae s ALA 608 Cb 0.00 -3.05 0.35 0.00 0.00 0.00 0.00 23.12 20.41 2wae s ALA 608 CO 0.00 0.08 1.54 1.79 0.00 0.00 0.00 175.76 179.17 2wae h THR 609 N 3.96 0.00 -3.79 0.00 1.35 -1.94 -3.46 112.91 109.04 2wae h THR 609 Ca -0.44 -0.92 -0.25 0.00 -0.55 0.00 0.00 66.41 64.24 2wae h THR 609 Cb 1.21 1.84 -0.15 0.00 -1.73 0.00 0.00 68.15 69.32 2wae h THR 609 CO 0.70 0.00 -0.68 0.68 -0.25 0.00 0.00 175.52 175.97 2wae s VAL 610 N -3.22 0.70 -0.16 6.82 -7.23 -1.26 -5.11 120.40 110.94 2wae s VAL 610 Ca 0.06 -1.96 -0.29 0.00 -1.81 0.00 0.00 61.98 57.98 2wae s VAL 610 Cb 0.07 -1.86 -0.04 0.00 0.56 0.00 0.00 36.38 35.10 2wae s VAL 610 CO 0.68 -0.71 1.69 -0.55 -0.31 0.00 0.00 175.10 175.90 2wae s SER 611 N -3.10 6.41 -0.18 4.85 0.15 -1.26 -4.99 113.70 115.57 2wae s SER 611 Ca 0.17 1.88 -0.08 0.00 0.70 0.00 0.00 55.95 58.61 2wae s SER 611 Cb 0.05 -2.53 -0.04 0.00 -1.71 0.00 0.00 66.02 61.79 2wae s SER 611 CO -0.01 -1.20 0.09 -0.63 1.20 0.00 0.00 173.24 172.70 2wae s ILE 612 N 5.03 5.09 0.01 6.45 1.01 -1.26 -1.23 121.20 136.30 2wae s ILE 612 Ca 0.75 0.07 0.03 0.00 0.00 0.00 0.00 60.65 61.50 2wae s ILE 612 Cb -0.29 -3.30 -0.03 0.00 0.01 0.00 0.00 42.46 38.85 2wae s ILE 612 CO 0.30 0.47 -0.06 -0.44 0.00 0.00 0.00 174.94 175.20 2wae s SER 613 N 0.25 4.65 0.00 3.58 0.01 -0.51 -4.73 113.70 116.95 2wae s SER 613 Ca 0.06 -0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.17 2wae s SER 613 Cb -0.12 -1.08 0.00 0.00 0.21 0.00 0.00 66.02 65.03 2wae s SER 613 CO -0.01 0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.53 2wae n GLY 614 N 1.45 0.95 3.26 3.44 0.00 -0.50 -0.27 105.19 113.53 2wae n GLY 614 Ca -0.15 -0.84 -0.11 0.00 0.00 0.00 0.00 46.02 44.92 2wae n GLY 614 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wae s LYS 615 N -1.69 0.38 0.50 1.61 2.47 -0.19 -4.56 119.74 118.27 2wae s LYS 615 Ca 0.00 0.77 -0.05 0.00 -1.56 0.00 0.00 55.97 55.13 2wae s LYS 615 Cb 0.00 -0.03 -0.03 0.00 -1.46 0.00 0.00 37.83 36.31 2wae s LYS 615 CO 0.00 -0.16 0.80 0.95 0.16 0.00 0.00 175.35 177.10 2wae s THR 616 N 1.39 4.61 -0.18 3.43 -4.23 -1.26 -1.53 115.64 117.86 2wae s THR 616 Ca -0.10 0.12 0.01 0.00 -1.18 0.00 0.00 61.69 60.54 2wae s THR 616 Cb -0.08 -3.76 0.03 0.00 1.34 0.00 0.00 72.50 70.02 2wae s THR 616 CO -0.12 -0.74 -0.17 -0.83 -0.54 0.00 0.00 174.62 172.21 2wae s GLY 617 N -4.15 1.34 -0.10 3.99 0.00 -0.51 -3.39 107.32 104.48 2wae s GLY 617 Ca 0.49 -1.19 0.04 0.00 0.00 0.00 0.00 44.72 44.05 2wae s GLY 617 CO 0.45 0.42 -0.22 -0.51 0.00 0.00 0.00 173.10 173.23 2wae s THR 618 N 1.33 1.97 0.00 0.90 -4.23 -1.26 -3.72 115.64 110.63 2wae s THR 618 Ca 0.03 -0.96 0.00 0.00 -1.18 0.00 0.00 61.69 59.58 2wae s THR 618 Cb -0.14 -1.71 0.00 0.00 1.34 0.00 0.00 72.50 71.99 2wae s THR 618 CO -0.11 0.54 0.00 -3.20 -0.54 0.00 0.00 174.62 171.31 2wae n ASN 630 N 3.66 0.00 0.00 3.99 5.15 -1.25 -3.38 115.26 123.43 2wae n ASN 630 Ca -0.19 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.79 2wae n ASN 630 Cb 0.53 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.78 2wae n ASN 630 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2wae n ASN 631 N 8.38 0.00 -2.37 1.20 2.85 -1.23 -3.38 115.26 120.70 2wae n ASN 631 Ca 0.00 0.00 -0.27 0.00 -0.11 0.00 0.00 54.58 54.20 2wae n ASN 631 Cb 0.00 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.03 2wae n ASN 631 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 2wae n THR 632 N 0.00 2.47 -1.46 -0.44 -2.24 -1.02 -4.85 114.28 106.74 2wae n THR 632 Ca 0.00 -4.70 -0.30 0.00 -2.27 0.00 0.00 64.05 56.77 2wae n THR 632 Cb 0.00 -1.23 0.08 0.00 -2.10 0.00 0.00 70.33 67.08 2wae n THR 632 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2wae s ASN 633 N -3.44 4.67 -0.01 3.42 0.01 -1.24 -3.55 114.94 114.79 2wae s ASN 633 Ca 0.49 1.53 -0.28 0.00 -0.71 0.00 0.00 52.86 53.90 2wae s ASN 633 Cb 0.41 -2.30 0.06 0.00 0.41 0.00 0.00 41.25 39.83 2wae s ASN 633 CO -0.14 -1.89 0.62 0.00 -1.51 0.00 0.00 177.10 174.19 2wae s ALA 634 N -3.04 -1.61 0.08 0.60 0.00 -0.27 -1.43 121.76 116.09 2wae s ALA 634 Ca 0.60 1.05 0.06 0.00 0.00 0.00 0.00 51.96 53.68 2wae s ALA 634 Cb -0.15 0.15 -0.03 0.00 0.00 0.00 0.00 23.12 23.08 2wae s ALA 634 CO 0.55 -0.42 -0.16 0.14 0.00 0.00 0.00 175.76 175.87 2wae s VAL 635 N -1.62 1.29 0.08 0.00 -7.23 -0.58 -0.32 120.40 112.00 2wae s VAL 635 Ca -0.09 -1.40 -0.22 0.00 -1.81 0.00 0.00 61.98 58.46 2wae s VAL 635 Cb -0.01 -1.23 0.05 0.00 0.56 0.00 0.00 36.38 35.75 2wae s VAL 635 CO 0.06 -0.20 0.52 0.00 -0.31 0.00 0.00 175.10 175.17 2wae s ALA 636 N -1.31 -1.34 0.06 1.32 0.00 0.09 -1.02 121.76 119.56 2wae s ALA 636 Ca 0.01 0.49 -0.04 0.00 0.00 0.00 0.00 51.96 52.42 2wae s ALA 636 Cb -0.10 0.54 -0.02 0.00 0.00 0.00 0.00 23.12 23.54 2wae s ALA 636 CO 0.03 -0.58 0.05 1.52 0.00 0.00 0.00 175.76 176.77 2wae s TYR 637 N -2.92 0.35 0.01 0.00 -0.85 0.63 0.10 117.35 114.67 2wae s TYR 637 Ca -0.03 -0.82 -0.28 0.00 -0.52 0.00 0.00 57.07 55.43 2wae s TYR 637 Cb -0.00 -0.25 0.10 0.00 0.38 0.00 0.00 41.96 42.18 2wae s TYR 637 CO -0.06 -0.41 0.84 0.00 -1.52 0.00 0.00 175.55 174.41 2wae s ALA 638 N -3.54 -1.79 0.65 9.51 0.00 -0.43 -1.42 121.76 124.73 2wae s ALA 638 Ca 0.03 0.98 -0.13 0.00 0.00 0.00 0.00 51.96 52.84 2wae s ALA 638 Cb 0.05 0.40 -0.01 0.00 0.00 0.00 0.00 23.12 23.55 2wae s ALA 638 CO -0.09 -0.66 1.06 -1.25 0.00 0.00 0.00 175.76 174.82 2wae s PRO 639 N -3.01 3.10 0.23 0.00 0.04 -1.26 -0.82 135.00 133.28 2wae s PRO 639 Ca 0.03 1.09 -0.08 0.00 0.04 0.00 0.00 61.00 62.08 2wae s PRO 639 Cb -0.01 -2.01 0.38 0.00 0.04 0.00 0.00 34.50 32.90 2wae s PRO 639 CO -0.08 -0.98 1.66 1.15 0.04 0.00 0.00 177.00 178.79 2wae h THR 640 N -0.16 0.44 -0.34 1.26 2.02 -1.40 -2.38 112.91 112.36 2wae h THR 640 Ca -0.45 -0.05 -0.09 0.00 0.77 0.00 0.00 66.41 66.59 2wae h THR 640 Cb 1.22 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 2wae h THR 640 CO 0.57 0.03 -0.15 -0.33 0.37 0.00 0.00 175.52 176.01 2wae h GLU 641 N 0.14 0.60 -1.07 6.66 4.39 -1.97 -3.39 114.58 119.94 2wae h GLU 641 Ca 0.37 -0.20 -0.40 0.00 0.34 0.00 0.00 59.36 59.48 2wae h GLU 641 Cb 0.63 -0.05 -0.27 0.00 -0.10 0.00 0.00 28.75 28.95 2wae h GLU 641 CO -0.57 0.73 -0.82 -1.71 -1.16 0.00 0.00 179.01 175.48 2wae n ASN 642 N -4.17 -1.27 -4.76 1.42 5.15 -0.95 -5.13 115.26 105.55 2wae n ASN 642 Ca 0.01 -2.98 -0.41 0.00 -0.60 0.00 0.00 54.58 50.59 2wae n ASN 642 Cb 0.36 0.52 -0.01 0.00 -0.53 0.00 0.00 39.78 40.12 2wae n ASN 642 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 2wae s PRO 643 N -0.30 4.13 0.00 1.20 0.02 -0.94 -4.22 135.00 134.89 2wae s PRO 643 Ca 0.34 2.55 0.00 0.00 0.02 0.00 0.00 61.00 63.90 2wae s PRO 643 Cb 0.20 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.71 2wae s PRO 643 CO -0.18 -0.56 0.00 1.04 -0.33 0.00 0.00 177.00 176.97 2wae n GLN 644 N 1.38 3.20 -4.19 5.54 6.02 -0.01 -4.64 117.38 124.69 2wae n GLN 644 Ca 0.05 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.88 2wae n GLN 644 Cb 0.38 -0.45 -0.14 0.00 1.02 0.00 0.00 30.24 31.06 2wae n GLN 644 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 177.06 174.55 2wae s ILE 645 N -0.62 0.53 -0.04 5.09 2.07 -0.52 -4.31 121.20 123.39 2wae s ILE 645 Ca 0.00 -0.48 -0.01 0.00 -1.41 0.00 0.00 60.65 58.75 2wae s ILE 645 Cb 0.00 -0.49 0.03 0.00 0.13 0.00 0.00 42.46 42.13 2wae s ILE 645 CO 0.00 0.02 0.02 0.00 -1.91 0.00 0.00 174.94 173.07 2wae s ALA 646 N -0.45 0.36 0.07 1.50 0.00 -0.40 -1.32 121.76 121.52 2wae s ALA 646 Ca -0.00 0.12 0.07 0.00 0.00 0.00 0.00 51.96 52.14 2wae s ALA 646 Cb -0.04 -0.51 -0.03 0.00 0.00 0.00 0.00 23.12 22.53 2wae s ALA 646 CO -0.00 -0.31 -0.19 0.54 0.00 0.00 0.00 175.76 175.81 2wae s VAL 647 N 1.63 1.51 -0.07 0.00 0.11 0.11 -0.51 120.40 123.19 2wae s VAL 647 Ca -0.01 -1.33 0.02 0.00 -2.93 0.00 0.00 61.98 57.73 2wae s VAL 647 Cb -0.13 -1.37 0.01 0.00 -1.53 0.00 0.00 36.38 33.37 2wae s VAL 647 CO -0.03 -0.00 -0.11 0.00 -3.33 0.00 0.00 175.10 171.62 2wae s ALA 648 N -1.03 1.23 -0.15 1.54 0.00 -0.14 -0.73 121.76 122.48 2wae s ALA 648 Ca 0.05 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.61 2wae s ALA 648 Cb -0.09 -0.59 -0.00 0.00 0.00 0.00 0.00 23.12 22.44 2wae s ALA 648 CO 0.03 0.06 -0.15 0.08 0.00 0.00 0.00 175.76 175.77 2wae s VAL 649 N 0.77 2.68 -0.22 0.00 1.01 0.56 -1.35 120.40 123.85 2wae s VAL 649 Ca -0.13 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.08 2wae s VAL 649 Cb -0.15 -2.12 0.02 0.00 0.00 0.00 0.00 36.38 34.12 2wae s VAL 649 CO 0.02 0.52 -0.11 -0.69 0.00 0.00 0.00 175.10 174.84 2wae s VAL 650 N 0.76 2.60 -0.46 2.92 1.01 0.11 -1.11 120.40 126.23 2wae s VAL 650 Ca -0.06 -0.97 0.04 0.00 0.00 0.00 0.00 61.98 60.99 2wae s VAL 650 Cb -0.15 -2.24 0.16 0.00 0.00 0.00 0.00 36.38 34.15 2wae s VAL 650 CO 0.01 0.33 0.35 0.12 0.00 0.00 0.00 175.10 175.91 2wae s PHE 651 N 1.32 1.53 0.42 5.22 2.19 -1.26 -1.00 117.98 126.40 2wae s PHE 651 Ca 0.02 -2.44 -0.24 0.00 0.33 0.00 0.00 56.93 54.60 2wae s PHE 651 Cb -0.15 -1.28 -0.08 0.00 -1.31 0.00 0.00 43.02 40.20 2wae s PHE 651 CO -0.07 -0.78 1.15 -1.25 1.83 0.00 0.00 175.22 176.10 2wae s PRO 652 N -0.08 3.95 -1.26 10.12 0.04 -1.26 -2.45 135.00 144.06 2wae s PRO 652 Ca 0.29 1.75 -0.03 0.00 0.04 0.00 0.00 61.00 63.06 2wae s PRO 652 Cb -0.02 -2.54 0.01 0.00 0.04 0.00 0.00 34.50 31.99 2wae s PRO 652 CO -0.16 -0.39 1.03 0.72 0.04 0.00 0.00 177.00 178.24 2wae n HIS 653 N -0.19 -2.36 -3.66 0.56 8.25 -1.22 -4.32 115.22 112.28 2wae n HIS 653 Ca 0.06 0.95 -0.39 0.00 -0.26 0.00 0.00 57.72 58.08 2wae n HIS 653 Cb 0.48 -4.98 -0.12 0.00 1.12 0.00 0.00 29.99 26.49 2wae n HIS 653 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2wae s ASN 654 N -4.04 5.52 0.00 0.41 3.84 -1.26 -3.75 114.94 115.65 2wae s ASN 654 Ca 0.18 -0.66 0.31 0.00 0.21 0.00 0.00 52.86 52.90 2wae s ASN 654 Cb -0.08 -1.99 1.67 0.00 -0.55 0.00 0.00 41.25 40.31 2wae s ASN 654 CO 0.74 -0.24 2.10 0.35 -2.79 0.00 0.00 177.10 177.27 2wae n THR 655 N 4.96 0.00 -2.02 -5.21 -2.24 -0.62 -3.53 114.28 105.62 2wae n THR 655 Ca -0.13 -0.04 -0.39 0.00 -2.27 0.00 0.00 64.05 61.22 2wae n THR 655 Cb 0.48 -0.33 -0.03 0.00 -2.10 0.00 0.00 70.33 68.35 2wae n THR 655 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2wae s ASN 656 N -2.14 5.35 0.05 3.42 0.01 -1.26 -4.81 114.94 115.56 2wae s ASN 656 Ca 0.42 0.53 -0.05 0.00 -0.71 0.00 0.00 52.86 53.05 2wae s ASN 656 Cb 0.21 -2.53 -0.29 0.00 0.41 0.00 0.00 41.25 39.06 2wae s ASN 656 CO 0.39 -2.28 1.03 -0.07 -1.51 0.00 0.00 177.10 174.66 2wae h LEU 657 N 16.06 0.44 0.00 0.60 3.38 -2.00 -3.39 115.31 130.39 2wae h LEU 657 Ca -0.27 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.19 2wae h LEU 657 Cb 1.17 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.77 2wae h LEU 657 CO 1.18 1.41 0.00 1.07 0.09 0.00 0.00 178.44 182.19 2wae n THR 658 N -3.51 0.00 -5.04 0.22 5.66 -1.26 -4.68 114.28 105.66 2wae n THR 658 Ca -0.12 1.25 -0.32 0.00 -3.05 0.00 0.00 64.05 61.81 2wae n THR 658 Cb 1.04 -1.85 -0.14 0.00 -1.55 0.00 0.00 70.33 67.82 2wae n THR 658 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 2wae s LYS 659 N -1.99 2.50 -0.40 1.09 2.20 -1.26 -5.09 119.74 116.79 2wae s LYS 659 Ca 0.00 -0.79 -0.08 0.00 -0.36 0.00 0.00 55.97 54.75 2wae s LYS 659 Cb 0.00 -2.29 0.08 0.00 -1.51 0.00 0.00 37.83 34.11 2wae s LYS 659 CO 0.00 0.53 0.22 1.21 -0.36 0.00 0.00 175.35 176.95 2wae s ASN 660 N -0.50 5.51 0.38 1.43 2.47 -1.26 -4.86 114.94 118.11 2wae s ASN 660 Ca 0.06 -1.54 0.26 0.00 0.42 0.00 0.00 52.86 52.06 2wae s ASN 660 Cb -0.12 -1.94 0.79 0.00 -1.45 0.00 0.00 41.25 38.54 2wae s ASN 660 CO 0.01 -0.51 1.75 -0.37 -3.72 0.00 0.00 177.10 174.27 2wae h VAL 661 N 6.15 0.00 -0.41 -5.21 -1.51 -1.93 -3.36 116.25 109.97 2wae h VAL 661 Ca -0.21 -0.64 0.05 0.00 -1.23 0.00 0.00 66.70 64.66 2wae h VAL 661 Cb 1.08 1.60 -0.08 0.00 -2.13 0.00 0.00 31.29 31.76 2wae h VAL 661 CO 0.72 0.00 -0.50 1.23 -1.23 0.00 0.00 177.57 177.79 2wae h GLY 662 N 3.44 -1.10 0.93 5.19 0.00 -1.87 0.20 103.07 109.86 2wae h GLY 662 Ca 0.00 0.74 0.03 0.00 0.00 0.00 0.00 47.33 48.10 2wae h GLY 662 CO 0.00 -0.17 0.66 -0.56 0.00 0.00 0.00 176.54 176.47 2wae h PRO 663 N -0.33 1.26 -0.72 4.80 0.13 -1.84 -2.30 132.00 133.01 2wae h PRO 663 Ca 0.07 -0.08 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 2wae h PRO 663 Cb 0.52 -0.28 -0.04 0.00 0.13 0.00 0.00 31.00 31.33 2wae h PRO 663 CO -0.56 0.83 0.43 0.00 -0.23 0.00 0.00 178.00 178.47 2wae h ALA 664 N 1.40 1.40 -0.28 -0.56 0.00 -1.47 -0.52 119.26 119.23 2wae h ALA 664 Ca 0.39 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 55.09 2wae h ALA 664 Cb -0.05 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 2wae h ALA 664 CO -0.11 0.52 -0.30 0.82 0.00 0.00 0.00 179.25 180.18 2wae h ILE 665 N 0.99 1.30 -0.60 0.00 2.04 -0.20 -2.10 117.51 118.95 2wae h ILE 665 Ca 0.26 -1.48 -0.07 0.00 1.00 0.00 0.00 64.86 64.57 2wae h ILE 665 Cb -0.03 1.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 2wae h ILE 665 CO -0.05 0.47 0.09 0.00 0.00 0.00 0.00 178.15 178.67 2wae h ALA 666 N 0.70 0.80 -0.40 1.87 0.00 -1.10 -1.38 119.26 119.75 2wae h ALA 666 Ca 0.04 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.71 2wae h ALA 666 Cb 0.88 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 2wae h ALA 666 CO 0.07 0.56 0.23 -0.09 0.00 0.00 0.00 179.25 180.03 2wae h ARG 667 N 0.91 0.46 -0.52 0.00 2.43 -0.96 -1.76 114.38 114.94 2wae h ARG 667 Ca 0.18 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.26 2wae h ARG 667 Cb 0.43 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 2wae h ARG 667 CO 0.01 0.30 0.07 -0.44 -1.51 0.00 0.00 179.97 178.40 2wae h ASP 668 N 0.47 0.79 -0.41 -3.80 3.45 -1.11 0.31 116.42 116.11 2wae h ASP 668 Ca 0.16 -0.17 -0.01 0.00 0.43 0.00 0.00 57.03 57.45 2wae h ASP 668 Cb 0.01 -0.21 -0.02 0.00 -0.56 0.00 0.00 39.33 38.56 2wae h ASP 668 CO -0.08 0.81 0.23 0.40 -1.57 0.00 0.00 179.24 179.03 2wae h ILE 669 N 0.79 1.15 -0.58 0.35 2.04 -0.93 0.48 117.51 120.81 2wae h ILE 669 Ca 0.16 -0.39 -0.04 0.00 1.00 0.00 0.00 64.86 65.59 2wae h ILE 669 Cb 0.38 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 2wae h ILE 669 CO 0.01 0.16 0.21 0.40 0.00 0.00 0.00 178.15 178.92 2wae h ILE 670 N 0.54 1.23 -0.85 -0.67 2.04 -0.71 0.57 117.51 119.66 2wae h ILE 670 Ca 0.15 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 65.24 2wae h ILE 670 Cb 0.05 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 36.74 2wae h ILE 670 CO -0.02 0.29 0.49 0.78 0.00 0.00 0.00 178.15 179.69 2wae h ASN 671 N 0.81 1.03 -0.53 1.72 2.35 -0.20 -0.10 115.58 120.65 2wae h ASN 671 Ca 0.19 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 2wae h ASN 671 Cb 0.24 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 2wae h ASN 671 CO -0.01 0.80 0.28 -0.07 -1.65 0.00 0.00 177.43 176.79 2wae h LEU 672 N 1.17 0.67 -0.54 1.61 3.38 0.66 -1.98 115.31 120.28 2wae h LEU 672 Ca 0.30 -0.10 -0.14 0.00 0.09 0.00 0.00 57.88 58.04 2wae h LEU 672 Cb -0.02 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 2wae h LEU 672 CO -0.05 0.57 -0.31 0.22 0.09 0.00 0.00 178.44 178.96 2wae h TYR 673 N 0.71 0.99 -0.05 1.13 3.20 -0.69 -2.75 116.97 119.51 2wae h TYR 673 Ca 0.19 -0.26 -0.07 0.00 3.14 0.00 0.00 58.73 61.72 2wae h TYR 673 Cb 0.06 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 2wae h TYR 673 CO -0.01 1.04 -0.30 -0.97 -1.64 0.00 0.00 178.16 176.27 2wae h ASN 674 N 0.71 0.08 1.04 -2.11 -1.24 -0.75 0.57 115.58 113.89 2wae h ASN 674 Ca 0.08 -0.02 -0.10 0.00 0.71 0.00 0.00 56.30 56.96 2wae h ASN 674 Cb 0.86 -0.02 -0.01 0.00 0.73 0.00 0.00 38.32 39.87 2wae h ASN 674 CO 0.08 0.39 -0.48 -0.61 -1.29 0.00 0.00 177.43 175.51 2wae h GLN 675 N 0.07 0.00 0.06 6.67 4.15 -1.22 -2.98 115.11 121.87 2wae h GLN 675 Ca 0.01 0.00 -0.33 0.00 0.77 0.00 0.00 58.65 59.10 2wae h GLN 675 Cb 0.58 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.23 2wae h GLN 675 CO 0.04 0.48 -1.83 1.58 -1.93 0.00 0.00 178.83 177.17 2wae n HIS 676 N -3.43 0.97 -3.73 3.99 -0.00 -0.77 -4.72 115.22 107.52 2wae n HIS 676 Ca 0.00 0.28 -0.30 0.00 0.46 0.00 0.00 57.72 58.17 2wae n HIS 676 Cb 0.62 -1.12 -0.14 0.00 -0.12 0.00 0.00 29.99 29.23 2wae n HIS 676 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2wae s HIS 677 N -2.48 1.87 0.29 1.57 5.65 0.19 -5.10 115.29 117.28 2wae s HIS 677 Ca -0.27 -2.02 -0.30 0.00 0.25 0.00 0.00 55.06 52.72 2wae s HIS 677 Cb 0.07 -1.81 -0.12 0.00 -1.18 0.00 0.00 32.58 29.54 2wae s HIS 677 CO 0.67 -0.85 1.47 -2.30 -0.65 0.00 0.00 174.74 173.08 2wae n PRO 678 N 4.38 2.36 0.00 2.88 -0.02 -1.13 -4.22 135.00 139.25 2wae n PRO 678 Ca 0.02 0.84 0.01 0.00 -2.02 0.00 0.00 63.50 62.35 2wae n PRO 678 Cb 0.39 -2.54 0.01 0.00 -0.02 0.00 0.00 33.50 31.35 2wae n PRO 678 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15