#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2waf s LYS 53 N 0.00 0.82 -0.06 1.09 -2.85 -1.26 0.74 119.74 118.23 2waf s LYS 53 Ca 0.00 -0.63 -0.00 0.00 -1.00 0.00 0.00 55.97 54.34 2waf s LYS 53 Cb 0.00 -0.79 -0.03 0.00 -2.06 0.00 0.00 37.83 34.95 2waf s LYS 53 CO 0.00 0.20 -0.01 0.42 0.10 0.00 0.00 175.35 176.06 2waf s ILE 54 N -0.73 4.20 0.13 3.79 1.01 2.49 -4.86 121.20 127.24 2waf s ILE 54 Ca 0.01 -0.38 0.03 0.00 0.00 0.00 0.00 60.65 60.31 2waf s ILE 54 Cb -0.07 -2.80 -0.04 0.00 0.01 0.00 0.00 42.46 39.57 2waf s ILE 54 CO 0.01 0.53 0.16 0.28 0.00 0.00 0.00 174.94 175.92 2waf s THR 55 N -0.94 4.77 -0.22 2.92 -1.32 -1.26 -1.68 115.64 117.90 2waf s THR 55 Ca 0.15 -0.85 -0.05 0.00 -1.21 0.00 0.00 61.69 59.73 2waf s THR 55 Cb -0.11 -3.39 0.12 0.00 -1.51 0.00 0.00 72.50 67.60 2waf s THR 55 CO 0.05 -0.02 0.42 -0.94 -2.21 0.00 0.00 174.62 171.91 2waf s SER 56 N -2.89 -0.13 0.75 8.08 1.04 -0.81 -4.91 113.70 114.82 2waf s SER 56 Ca 0.32 0.67 -0.17 0.00 0.48 0.00 0.00 55.95 57.25 2waf s SER 56 Cb -0.11 1.31 -0.12 0.00 0.10 0.00 0.00 66.02 67.20 2waf s SER 56 CO 0.25 -0.26 -0.23 -1.20 0.98 0.00 0.00 173.24 172.77 2waf n SER 57 N 5.38 -4.02 -4.66 7.02 7.64 -1.26 -0.37 113.62 123.36 2waf n SER 57 Ca -0.06 0.46 -0.24 0.00 1.01 0.00 0.00 58.87 60.03 2waf n SER 57 Cb 0.50 -0.90 -0.08 0.00 -1.01 0.00 0.00 64.21 62.72 2waf n SER 57 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2waf s SER 58 N -1.13 4.27 -0.03 6.43 0.01 -1.23 -4.46 113.70 117.56 2waf s SER 58 Ca 0.52 -0.98 -0.35 0.00 1.31 0.00 0.00 55.95 56.46 2waf s SER 58 Cb -0.34 -0.56 -0.17 0.00 0.21 0.00 0.00 66.02 65.16 2waf s SER 58 CO 0.71 -0.28 0.95 0.00 0.41 0.00 0.00 173.24 175.02 2waf n ALA 59 N -1.01 -3.05 -1.99 1.44 0.00 -1.07 -4.30 120.51 110.53 2waf n ALA 59 Ca -0.04 0.51 -0.35 0.00 0.00 0.00 0.00 53.44 53.56 2waf n ALA 59 Cb 0.62 -1.51 -0.06 0.00 0.00 0.00 0.00 19.45 18.50 2waf n ALA 59 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2waf s ARG 60 N 0.19 4.28 0.98 0.00 3.52 -1.26 -2.34 118.95 124.32 2waf s ARG 60 Ca 0.79 0.97 -0.12 0.00 -0.13 0.00 0.00 55.73 57.24 2waf s ARG 60 Cb -1.10 -2.68 0.18 0.00 -1.56 0.00 0.00 34.95 29.79 2waf s ARG 60 CO 0.50 0.27 1.08 0.20 -0.81 0.00 0.00 175.30 176.54 2waf s GLY 61 N -1.83 1.60 0.42 8.12 0.00 -0.93 -4.40 107.32 110.30 2waf s GLY 61 Ca 0.49 -0.03 0.05 0.00 0.00 0.00 0.00 44.72 45.24 2waf s GLY 61 CO 0.20 0.53 0.02 -0.54 0.00 0.00 0.00 173.10 173.30 2waf s GLU 62 N -4.78 1.98 -0.07 2.90 2.02 -1.25 -4.95 118.70 114.54 2waf s GLU 62 Ca 0.65 -2.15 0.03 0.00 0.02 0.00 0.00 54.97 53.51 2waf s GLU 62 Cb -0.20 -1.52 0.01 0.00 0.10 0.00 0.00 34.13 32.51 2waf s GLU 62 CO 0.59 -0.14 -0.15 0.42 0.02 0.00 0.00 175.26 176.01 2waf s ILE 63 N -2.81 1.33 -0.03 -1.63 1.01 -1.26 -2.11 121.20 115.70 2waf s ILE 63 Ca 0.29 -0.59 0.04 0.00 0.00 0.00 0.00 60.65 60.39 2waf s ILE 63 Cb 0.08 -1.20 -0.01 0.00 0.01 0.00 0.00 42.46 41.34 2waf s ILE 63 CO 0.15 0.40 -0.16 -0.31 0.00 0.00 0.00 174.94 175.01 2waf s TYR 64 N 0.63 1.54 1.28 3.97 2.02 0.66 -1.39 117.35 126.07 2waf s TYR 64 Ca -0.15 -0.38 -0.20 0.00 -0.37 0.00 0.00 57.07 55.97 2waf s TYR 64 Cb -0.16 -1.03 0.31 0.00 -0.40 0.00 0.00 41.96 40.68 2waf s TYR 64 CO 0.04 -0.10 1.03 0.16 -1.57 0.00 0.00 175.55 175.11 2waf s ASP 65 N -0.11 0.22 0.32 2.29 3.84 0.56 -0.08 116.67 123.71 2waf s ASP 65 Ca 0.00 0.82 0.10 0.00 -0.00 0.00 0.00 52.55 53.47 2waf s ASP 65 Cb -0.09 -1.17 0.89 0.00 -1.38 0.00 0.00 42.92 41.17 2waf s ASP 65 CO 0.01 -4.58 1.73 0.00 -0.00 0.00 0.00 175.17 172.33 2waf h ALA 66 N -2.89 1.81 0.00 2.11 0.00 -0.23 -1.69 119.26 118.38 2waf h ALA 66 Ca -0.46 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2waf h ALA 66 Cb 1.32 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2waf h ALA 66 CO 0.35 -0.28 -0.24 -1.13 0.00 0.00 0.00 179.25 177.95 2waf n SER 67 N -4.87 0.58 0.00 0.00 3.41 -1.26 -4.90 113.62 106.58 2waf n SER 67 Ca 0.27 0.33 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 2waf n SER 67 Cb 0.75 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 2waf n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2waf n GLY 68 N 1.38 0.20 3.71 5.00 0.00 -0.63 -5.06 105.19 109.79 2waf n GLY 68 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 2waf n GLY 68 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2waf n LYS 69 N -1.78 2.37 -3.10 1.61 4.76 -1.26 -4.73 118.16 116.03 2waf n LYS 69 Ca 0.00 0.84 -0.30 0.00 -2.87 0.00 0.00 58.31 55.98 2waf n LYS 69 Cb 0.00 -2.54 -0.03 0.00 -1.84 0.00 0.00 35.03 30.61 2waf n LYS 69 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2waf s PRO 70 N -0.75 3.73 -0.02 1.97 0.04 -1.26 -0.32 135.00 138.38 2waf s PRO 70 Ca 0.64 0.28 0.10 0.00 0.04 0.00 0.00 61.00 62.05 2waf s PRO 70 Cb -0.56 -2.51 -0.15 0.00 0.04 0.00 0.00 34.50 31.32 2waf s PRO 70 CO 0.52 0.10 0.19 1.28 0.04 0.00 0.00 177.00 179.13 2waf n LEU 71 N -1.03 0.00 -4.29 -3.56 4.77 -0.48 -4.87 117.00 107.53 2waf n LEU 71 Ca 0.01 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.80 2waf n LEU 71 Cb 0.54 0.02 -0.09 0.00 -2.33 0.00 0.00 43.42 41.56 2waf n LEU 71 CO 0.47 0.02 -0.14 0.68 -1.33 0.00 0.00 177.39 177.09 2waf s VAL 72 N -2.62 0.07 -0.09 4.08 -7.23 -1.26 -1.63 120.40 111.71 2waf s VAL 72 Ca -0.04 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.13 2waf s VAL 72 Cb 0.06 -2.49 0.02 0.00 0.56 0.00 0.00 36.38 34.53 2waf s VAL 72 CO 0.40 0.00 -0.07 -0.70 -0.31 0.00 0.00 175.10 174.42 2waf s GLU 73 N -3.61 1.37 -0.17 4.82 2.56 0.35 -4.90 118.70 119.11 2waf s GLU 73 Ca 0.39 -0.22 -0.06 0.00 0.00 0.00 0.00 54.97 55.08 2waf s GLU 73 Cb 0.03 -1.41 -0.03 0.00 2.00 0.00 0.00 34.13 34.72 2waf s GLU 73 CO 0.23 -0.20 0.02 -0.80 -0.56 0.00 0.00 175.26 173.95 2waf s ASN 74 N 1.49 5.25 -0.46 -1.70 0.01 -1.26 -1.95 114.94 116.32 2waf s ASN 74 Ca 0.00 -0.02 0.03 0.00 -0.71 0.00 0.00 52.86 52.16 2waf s ASN 74 Cb -0.13 -1.88 0.13 0.00 0.41 0.00 0.00 41.25 39.77 2waf s ASN 74 CO -0.05 0.16 0.22 -0.89 -1.51 0.00 0.00 177.10 175.03 2waf s THR 75 N 0.42 2.12 0.68 1.60 2.01 -0.01 -4.99 115.64 117.47 2waf s THR 75 Ca 0.00 -2.89 -0.13 0.00 0.31 0.00 0.00 61.69 58.98 2waf s THR 75 Cb -0.13 -2.49 0.01 0.00 0.01 0.00 0.00 72.50 69.90 2waf s THR 75 CO 0.01 -0.80 1.08 -0.76 -0.69 0.00 0.00 174.62 173.47 2waf s LEU 76 N 0.13 3.27 -0.30 4.42 1.02 -1.26 -2.37 118.68 123.59 2waf s LEU 76 Ca 0.16 1.84 -0.12 0.00 0.02 0.00 0.00 54.13 56.02 2waf s LEU 76 Cb -0.24 -4.53 0.18 0.00 0.02 0.00 0.00 46.19 41.62 2waf s LEU 76 CO -0.02 -1.59 1.01 -1.59 0.02 0.00 0.00 176.35 174.18 2waf s LYS 77 N -4.48 0.24 0.21 1.70 -2.85 -0.89 -4.98 119.74 108.69 2waf s LYS 77 Ca 0.63 0.45 -0.26 0.00 -1.00 0.00 0.00 55.97 55.79 2waf s LYS 77 Cb -0.17 0.26 -0.09 0.00 -2.06 0.00 0.00 37.83 35.77 2waf s LYS 77 CO 0.47 -0.22 0.84 -0.65 0.10 0.00 0.00 175.35 175.88 2waf s GLN 78 N 2.82 4.62 0.33 1.78 -0.21 -1.26 -1.35 119.66 126.40 2waf s GLN 78 Ca 0.01 1.24 -0.09 0.00 0.02 0.00 0.00 55.36 56.54 2waf s GLN 78 Cb -0.10 -3.17 0.02 0.00 1.00 0.00 0.00 33.01 30.76 2waf s GLN 78 CO -0.13 0.50 0.57 0.54 -2.12 0.00 0.00 175.29 174.65 2waf s VAL 79 N -1.25 0.00 -0.26 1.09 0.11 1.19 -4.65 120.40 116.63 2waf s VAL 79 Ca 0.40 -1.38 -0.06 0.00 -2.93 0.00 0.00 61.98 58.01 2waf s VAL 79 Cb -0.23 -2.60 -0.00 0.00 -1.53 0.00 0.00 36.38 32.02 2waf s VAL 79 CO 0.27 0.00 0.03 0.68 -3.33 0.00 0.00 175.10 172.75 2waf s VAL 80 N -3.07 3.79 -0.08 2.04 -7.23 -1.26 0.69 120.40 115.28 2waf s VAL 80 Ca 0.24 -0.52 -0.10 0.00 -1.81 0.00 0.00 61.98 59.78 2waf s VAL 80 Cb -0.02 -2.84 -0.05 0.00 0.56 0.00 0.00 36.38 34.03 2waf s VAL 80 CO 0.15 0.26 0.25 -0.44 -0.31 0.00 0.00 175.10 175.01 2waf s SER 81 N 1.51 6.55 -0.16 4.85 0.01 1.74 -3.28 113.70 124.92 2waf s SER 81 Ca 0.04 0.66 0.01 0.00 1.31 0.00 0.00 55.95 57.97 2waf s SER 81 Cb -0.16 -2.15 0.02 0.00 0.21 0.00 0.00 66.02 63.95 2waf s SER 81 CO 0.00 0.36 -0.17 0.12 0.41 0.00 0.00 173.24 173.96 2waf s PHE 82 N -0.93 2.48 0.73 2.43 5.36 0.63 -1.12 117.98 127.57 2waf s PHE 82 Ca 0.18 -1.42 -0.08 0.00 -0.96 0.00 0.00 56.93 54.65 2waf s PHE 82 Cb -0.14 -1.76 0.07 0.00 -0.34 0.00 0.00 43.02 40.85 2waf s PHE 82 CO 0.07 -0.73 1.06 0.99 -1.46 0.00 0.00 175.22 175.16 2waf s THR 83 N 1.34 2.19 0.00 0.12 2.01 -1.26 -0.51 115.64 119.52 2waf s THR 83 Ca 0.04 -0.20 0.00 0.00 0.31 0.00 0.00 61.69 61.84 2waf s THR 83 Cb -0.13 -3.00 0.00 0.00 0.01 0.00 0.00 72.50 69.38 2waf s THR 83 CO -0.11 0.00 0.00 -1.14 -0.69 0.00 0.00 174.62 172.68 2waf n ARG 84 N -3.04 2.49 0.00 4.92 0.63 -0.98 -4.92 116.66 115.76 2waf n ARG 84 Ca 0.08 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.01 2waf n ARG 84 Cb 0.61 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.52 2waf n ARG 84 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2waf n SER 85 N 0.00 0.00 0.00 6.15 2.88 -1.26 -4.44 113.62 116.95 2waf n SER 85 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2waf n SER 85 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2waf n SER 85 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2waf n ASN 86 N 0.00 0.00 -0.02 -3.46 6.94 -1.26 -2.86 115.26 114.59 2waf n ASN 86 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 54.58 54.53 2waf n ASN 86 Cb 0.00 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.41 2waf n ASN 86 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2waf n LYS 87 N -0.53 0.19 -1.09 -3.83 4.76 -1.26 -4.97 118.16 111.43 2waf n LYS 87 Ca 0.00 0.07 -0.36 0.00 -2.87 0.00 0.00 58.31 55.16 2waf n LYS 87 Cb 0.00 -0.75 0.07 0.00 -1.84 0.00 0.00 35.03 32.51 2waf n LYS 87 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 2waf n MET 88 N -3.36 0.06 -3.46 1.97 2.81 -1.14 -4.94 117.12 109.06 2waf n MET 88 Ca -0.05 0.05 -0.14 0.00 -1.81 0.00 0.00 57.70 55.75 2waf n MET 88 Cb 0.18 -1.58 -0.03 0.00 -0.71 0.00 0.00 33.22 31.08 2waf n MET 88 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 2waf s THR 89 N -2.06 0.00 0.00 2.03 -4.23 -1.26 -4.88 115.64 105.24 2waf s THR 89 Ca 0.57 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 61.08 2waf s THR 89 Cb -0.30 -1.00 -0.00 0.00 1.34 0.00 0.00 72.50 72.54 2waf s THR 89 CO 0.66 0.00 0.18 0.00 -0.54 0.00 0.00 174.62 174.92 2waf n ALA 90 N 0.09 -0.01 -0.08 3.99 0.00 -1.26 0.26 120.51 123.49 2waf n ALA 90 Ca -0.17 0.02 -0.07 0.00 0.00 0.00 0.00 53.44 53.21 2waf n ALA 90 Cb 0.62 0.07 -0.01 0.00 0.00 0.00 0.00 19.45 20.13 2waf n ALA 90 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2waf h THR 91 N 0.00 0.38 -0.39 0.00 2.02 -1.98 0.15 112.91 113.07 2waf h THR 91 Ca 0.00 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.30 2waf h THR 91 Cb 0.01 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 66.78 2waf h THR 91 CO -0.02 0.00 0.33 0.44 0.37 0.00 0.00 175.52 176.65 2waf h ASP 92 N -0.21 0.00 0.18 4.18 3.32 0.31 -1.83 116.42 122.37 2waf h ASP 92 Ca 0.16 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.86 2waf h ASP 92 Cb 0.46 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 2waf h ASP 92 CO -0.44 0.00 -1.87 -0.07 -1.72 0.00 0.00 179.24 175.14 2waf h LEU 93 N 0.00 0.47 -0.27 1.55 4.07 0.26 -3.23 115.31 118.16 2waf h LEU 93 Ca 0.19 -0.89 0.06 0.00 0.08 0.00 0.00 57.88 57.33 2waf h LEU 93 Cb 0.85 -0.15 -0.07 0.00 1.08 0.00 0.00 40.66 42.37 2waf h LEU 93 CO -0.00 1.78 -0.17 0.11 -1.08 0.00 0.00 178.44 179.07 2waf h LYS 94 N 0.08 -0.14 -0.68 1.13 1.57 -0.31 -0.54 116.57 117.68 2waf h LYS 94 Ca -0.38 0.01 0.15 0.00 -1.87 0.00 0.00 60.65 58.56 2waf h LYS 94 Cb 2.06 0.03 -0.12 0.00 0.08 0.00 0.00 32.23 34.28 2waf h LYS 94 CO 0.13 -0.09 0.01 0.93 -0.57 0.00 0.00 179.45 179.85 2waf h GLU 95 N -0.15 0.11 -0.43 3.15 4.39 -1.45 0.73 114.58 120.94 2waf h GLU 95 Ca 0.15 -0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.74 2waf h GLU 95 Cb 0.37 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 2waf h GLU 95 CO -0.36 0.08 -0.14 1.79 -1.16 0.00 0.00 179.01 179.22 2waf h THR 96 N 0.12 1.27 -0.13 1.13 1.35 -1.49 -2.88 112.91 112.29 2waf h THR 96 Ca 0.36 -1.26 0.02 0.00 -0.55 0.00 0.00 66.41 64.98 2waf h THR 96 Cb 0.61 1.19 -0.04 0.00 -1.73 0.00 0.00 68.15 68.18 2waf h THR 96 CO -0.59 0.43 -0.28 0.00 -0.25 0.00 0.00 175.52 174.83 2waf h ALA 97 N 0.85 -0.62 -0.20 6.62 0.00 0.79 0.16 119.26 126.86 2waf h ALA 97 Ca 0.10 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.04 2waf h ALA 97 Cb 0.68 0.85 -0.05 0.00 0.00 0.00 0.00 17.79 19.28 2waf h ALA 97 CO 0.05 -0.74 -0.09 1.57 0.00 0.00 0.00 179.25 180.04 2waf h LYS 98 N -0.26 -0.06 -0.97 0.00 2.10 -1.52 -0.05 116.57 115.80 2waf h LYS 98 Ca 0.02 0.00 0.23 0.00 -2.00 0.00 0.00 60.65 58.91 2waf h LYS 98 Cb 0.33 0.01 -0.08 0.00 -0.90 0.00 0.00 32.23 31.60 2waf h LYS 98 CO -0.26 -0.04 0.64 0.87 -2.00 0.00 0.00 179.45 178.65 2waf h LYS 99 N -0.07 0.40 0.03 0.07 1.79 -1.20 -1.01 116.57 116.57 2waf h LYS 99 Ca 0.11 -0.02 -0.23 0.00 -2.18 0.00 0.00 60.65 58.33 2waf h LYS 99 Cb 0.23 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 30.79 2waf h LYS 99 CO -0.25 0.26 -1.00 1.25 -1.08 0.00 0.00 179.45 178.64 2waf h LEU 100 N 0.41 0.44 -1.87 2.94 5.85 0.11 -3.17 115.31 120.02 2waf h LEU 100 Ca 0.53 -0.38 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 2waf h LEU 100 Cb 1.32 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 42.21 2waf h LEU 100 CO -0.23 1.20 -0.04 0.25 -0.34 0.00 0.00 178.44 179.29 2waf h LEU 101 N 0.17 0.00 -0.49 2.25 5.85 -0.04 -2.17 115.31 120.88 2waf h LEU 101 Ca -0.08 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.64 2waf h LEU 101 Cb 1.65 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.68 2waf h LEU 101 CO 0.17 0.04 0.02 0.35 -0.34 0.00 0.00 178.44 178.67 2waf n THR 102 N -3.21 1.62 -0.02 1.05 -2.24 -1.11 -3.11 114.28 107.26 2waf n THR 102 Ca -0.01 0.58 -0.02 0.00 -2.27 0.00 0.00 64.05 62.34 2waf n THR 102 Cb 0.25 -1.58 -0.03 0.00 -2.10 0.00 0.00 70.33 66.87 2waf n THR 102 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2waf n TYR 103 N -1.75 0.00 -4.40 4.78 4.01 -0.82 -5.10 117.16 113.88 2waf n TYR 103 Ca -0.00 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.51 2waf n TYR 103 Cb 0.03 -0.19 -0.11 0.00 -0.31 0.00 0.00 39.34 38.76 2waf n TYR 103 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 2waf s VAL 104 N -2.09 2.14 -0.10 -0.72 -7.23 -1.18 -4.94 120.40 106.27 2waf s VAL 104 Ca -0.02 -2.16 -0.03 0.00 -1.81 0.00 0.00 61.98 57.96 2waf s VAL 104 Cb 0.01 -2.09 -0.03 0.00 0.56 0.00 0.00 36.38 34.82 2waf s VAL 104 CO 0.15 -0.36 0.01 -0.44 -0.31 0.00 0.00 175.10 174.16 2waf s SER 105 N -3.08 5.31 -0.29 4.85 0.01 -1.26 -4.83 113.70 114.41 2waf s SER 105 Ca 0.23 0.14 0.04 0.00 1.31 0.00 0.00 55.95 57.67 2waf s SER 105 Cb -0.05 -1.58 0.19 0.00 0.21 0.00 0.00 66.02 64.79 2waf s SER 105 CO 0.10 0.35 0.56 -0.63 0.41 0.00 0.00 173.24 174.03 2waf s ILE 106 N -0.70 -0.94 -0.08 1.44 -1.09 -1.26 -3.14 121.20 115.44 2waf s ILE 106 Ca 0.11 -0.04 -0.02 0.00 -2.23 0.00 0.00 60.65 58.47 2waf s ILE 106 Cb -0.12 -0.99 -0.01 0.00 -1.58 0.00 0.00 42.46 39.76 2waf s ILE 106 CO 0.02 -0.04 -0.05 0.77 -1.23 0.00 0.00 174.94 174.42 2waf h SER 107 N 8.03 0.00 -2.76 3.58 4.64 -1.98 -3.45 113.55 121.60 2waf h SER 107 Ca -0.07 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.69 2waf h SER 107 Cb 1.17 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.22 2waf h SER 107 CO 0.19 0.40 1.19 -0.44 -0.87 0.00 0.00 176.83 177.30 2waf s SER 108 N -4.81 5.97 -0.87 4.97 0.01 -1.26 -4.93 113.70 112.78 2waf s SER 108 Ca -0.04 0.74 -0.00 0.00 1.31 0.00 0.00 55.95 57.96 2waf s SER 108 Cb 0.01 -2.54 0.23 0.00 0.21 0.00 0.00 66.02 63.93 2waf s SER 108 CO 0.06 -1.75 0.83 -0.81 0.41 0.00 0.00 173.24 171.98 2waf n PRO 109 N 8.52 2.75 -1.16 12.44 -0.04 -1.26 -4.94 135.00 151.31 2waf n PRO 109 Ca 0.18 -4.52 -0.24 0.00 -0.04 0.00 0.00 63.50 58.88 2waf n PRO 109 Cb 0.49 -2.39 -0.11 0.00 -0.04 0.00 0.00 33.50 31.45 2waf n PRO 109 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2waf n ASN 110 N 1.95 6.78 -4.77 3.54 2.85 -1.26 -4.96 115.26 119.39 2waf n ASN 110 Ca 0.23 -2.55 -0.40 0.00 -0.11 0.00 0.00 54.58 51.75 2waf n ASN 110 Cb 0.37 -1.47 0.01 0.00 1.24 0.00 0.00 39.78 39.93 2waf n ASN 110 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2waf s LEU 111 N -0.05 4.14 0.53 1.20 1.43 -1.26 -5.03 118.68 119.63 2waf s LEU 111 Ca 0.68 2.91 -0.05 0.00 -1.03 0.00 0.00 54.13 56.64 2waf s LEU 111 Cb 0.26 -3.91 -0.01 0.00 0.03 0.00 0.00 46.19 42.55 2waf s LEU 111 CO -0.03 -1.13 0.82 0.42 0.23 0.00 0.00 176.35 176.66 2waf s THR 112 N -1.20 4.29 -0.04 5.49 -4.23 -1.26 -5.03 115.64 113.66 2waf s THR 112 Ca 0.60 0.05 -0.25 0.00 -1.18 0.00 0.00 61.69 60.91 2waf s THR 112 Cb -0.43 -3.65 -0.20 0.00 1.34 0.00 0.00 72.50 69.55 2waf s THR 112 CO 0.56 -0.64 1.14 -0.08 -0.54 0.00 0.00 174.62 175.06 2waf h GLU 113 N 0.07 -0.06 -1.42 3.99 4.81 -2.00 -2.83 114.58 117.13 2waf h GLU 113 Ca -0.46 0.00 0.42 0.00 -0.13 0.00 0.00 59.36 59.19 2waf h GLU 113 Cb 1.23 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.56 2waf h GLU 113 CO 0.61 0.46 1.01 2.89 -0.73 0.00 0.00 179.01 183.25 2waf n ARG 114 N -4.86 -0.00 -0.00 1.92 1.85 -1.26 0.50 116.66 114.81 2waf n ARG 114 Ca -0.09 0.83 -0.10 0.00 -1.00 0.00 0.00 57.85 57.49 2waf n ARG 114 Cb 0.28 -1.87 -0.08 0.00 -1.05 0.00 0.00 32.46 29.74 2waf n ARG 114 CO 0.00 0.00 0.00 1.96 -0.01 0.00 0.00 177.63 179.58 2waf h GLN 115 N 0.00 -0.10 -0.75 2.89 4.20 -1.90 -3.26 115.11 116.19 2waf h GLN 115 Ca 0.70 0.01 0.10 0.00 0.06 0.00 0.00 58.65 59.51 2waf h GLN 115 Cb 2.74 0.02 -0.07 0.00 0.30 0.00 0.00 27.48 30.47 2waf h GLN 115 CO -0.06 0.43 0.39 -0.07 -0.67 0.00 0.00 178.83 178.85 2waf h LEU 116 N -0.91 0.52 -0.40 1.46 3.38 0.10 -0.34 115.31 119.12 2waf h LEU 116 Ca -0.01 0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.10 2waf h LEU 116 Cb 0.57 -0.03 -0.09 0.00 0.09 0.00 0.00 40.66 41.20 2waf h LEU 116 CO 0.02 0.29 -0.26 0.00 0.09 0.00 0.00 178.44 178.58 2waf h ALA 117 N 1.44 -0.03 -0.08 1.53 0.00 -1.29 0.17 119.26 121.01 2waf h ALA 117 Ca 0.37 0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.43 2waf h ALA 117 Cb 0.38 0.59 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 2waf h ALA 117 CO -0.27 -0.64 0.11 0.22 0.00 0.00 0.00 179.25 178.67 2waf h ASP 118 N -0.19 0.00 0.46 0.00 1.82 -1.11 -1.17 116.42 116.24 2waf h ASP 118 Ca 0.19 0.00 -0.30 0.00 -0.39 0.00 0.00 57.03 56.53 2waf h ASP 118 Cb 0.49 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.47 2waf h ASP 118 CO -0.51 0.00 -1.61 0.22 -1.61 0.00 0.00 179.24 175.73 2waf h TYR 119 N 0.00 0.27 -0.17 0.28 3.20 -0.39 -2.95 116.97 117.21 2waf h TYR 119 Ca 0.04 -0.20 -0.13 0.00 3.14 0.00 0.00 58.73 61.57 2waf h TYR 119 Cb 0.25 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 2waf h TYR 119 CO 0.00 1.29 -0.46 -0.92 -1.64 0.00 0.00 178.16 176.43 2waf h TYR 120 N 0.04 0.51 0.00 -3.82 3.20 -0.03 -2.86 116.97 114.02 2waf h TYR 120 Ca -0.26 -0.16 0.00 0.00 3.14 0.00 0.00 58.73 61.45 2waf h TYR 120 Cb 1.99 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 40.16 2waf h TYR 120 CO 0.04 0.81 0.00 -0.07 -1.64 0.00 0.00 178.16 177.30 2waf h LEU 121 N 0.34 0.00 -0.77 2.82 3.38 -1.35 -3.33 115.31 116.40 2waf h LEU 121 Ca 0.02 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.17 2waf h LEU 121 Cb 0.95 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.58 2waf h LEU 121 CO 0.08 0.00 0.16 0.00 0.09 0.00 0.00 178.44 178.77 2waf h ALA 122 N 2.36 0.99 -2.52 1.53 0.00 -1.32 -3.36 119.26 116.94 2waf h ALA 122 Ca 0.00 0.19 -0.53 0.00 0.00 0.00 0.00 54.91 54.58 2waf h ALA 122 Cb 0.56 0.28 0.04 0.00 0.00 0.00 0.00 17.79 18.67 2waf h ALA 122 CO 0.00 -0.38 1.02 0.34 0.00 0.00 0.00 179.25 180.23 2waf s ASP 123 N -5.20 6.52 -0.00 0.00 -1.08 -1.25 -4.47 116.67 111.17 2waf s ASP 123 Ca -0.13 2.64 -0.24 0.00 -0.52 0.00 0.00 52.55 54.31 2waf s ASP 123 Cb 0.22 -2.57 -0.15 0.00 -1.46 0.00 0.00 42.92 38.96 2waf s ASP 123 CO 0.76 -0.92 1.07 1.55 0.52 0.00 0.00 175.17 178.15 2waf h PRO 124 N 7.96 -0.52 0.00 4.34 0.14 -1.94 -2.28 132.00 139.71 2waf h PRO 124 Ca -0.44 0.04 0.00 0.00 0.14 0.00 0.00 66.00 65.74 2waf h PRO 124 Cb 1.21 0.12 0.00 0.00 0.14 0.00 0.00 31.00 32.46 2waf h PRO 124 CO 0.94 -0.21 0.00 -1.91 0.14 0.00 0.00 178.00 176.96 2waf n GLU 125 N -5.17 0.00 -0.00 0.86 2.13 -1.26 0.05 120.64 117.24 2waf n GLU 125 Ca -0.09 0.34 -0.00 0.00 0.66 0.00 0.00 57.16 58.07 2waf n GLU 125 Cb 0.28 -0.59 -0.00 0.00 0.27 0.00 0.00 31.44 31.41 2waf n GLU 125 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 2waf n ILE 126 N -1.47 -0.00 -0.25 6.31 2.08 -1.13 0.12 119.36 125.02 2waf n ILE 126 Ca 0.00 0.19 0.04 0.00 0.56 0.00 0.00 62.75 63.54 2waf n ILE 126 Cb 0.00 -0.25 0.14 0.00 -0.75 0.00 0.00 39.64 38.78 2waf n ILE 126 CO 0.00 0.00 0.00 0.22 0.56 0.00 0.00 176.55 177.33 2waf h TYR 127 N 0.00 -0.07 0.04 1.39 5.03 0.21 0.49 116.97 124.05 2waf h TYR 127 Ca 0.00 0.05 0.01 0.00 2.58 0.00 0.00 58.73 61.38 2waf h TYR 127 Cb 0.00 0.15 -0.03 0.00 1.55 0.00 0.00 36.73 38.40 2waf h TYR 127 CO -0.12 -0.24 -0.34 -0.22 -1.32 0.00 0.00 178.16 175.92 2waf h LYS 128 N 0.10 -0.44 -0.50 1.82 1.63 0.38 -0.14 116.57 119.41 2waf h LYS 128 Ca 0.40 0.03 0.06 0.00 -0.85 0.00 0.00 60.65 60.29 2waf h LYS 128 Cb 0.68 0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 32.38 2waf h LYS 128 CO -0.65 -0.30 0.33 -0.22 -3.45 0.00 0.00 179.45 175.17 2waf h LYS 129 N -0.46 0.40 0.23 1.90 3.64 0.92 0.15 116.57 123.34 2waf h LYS 129 Ca 0.00 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 2waf h LYS 129 Cb 0.48 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 2waf h LYS 129 CO -0.21 0.26 -0.11 0.82 -2.27 0.00 0.00 179.45 177.94 2waf h ILE 130 N 0.41 0.82 -0.78 2.00 2.04 0.34 -3.07 117.51 119.27 2waf h ILE 130 Ca 0.22 -0.76 0.09 0.00 1.00 0.00 0.00 64.86 65.41 2waf h ILE 130 Cb 0.34 1.23 -0.07 0.00 -0.74 0.00 0.00 36.82 37.58 2waf h ILE 130 CO -0.06 0.16 0.44 1.62 0.00 0.00 0.00 178.15 180.31 2waf h VAL 131 N -0.72 0.92 -0.68 1.67 3.04 -0.71 -1.61 116.25 118.16 2waf h VAL 131 Ca -0.03 -0.26 0.20 0.00 -1.01 0.00 0.00 66.70 65.60 2waf h VAL 131 Cb 0.49 0.10 -0.03 0.00 -2.01 0.00 0.00 31.29 29.84 2waf h VAL 131 CO 0.05 0.14 1.05 -0.33 -1.01 0.00 0.00 177.57 177.47 2waf h GLU 132 N 0.76 0.00 0.00 4.17 4.39 -0.61 0.39 114.58 123.67 2waf h GLU 132 Ca 0.37 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 60.00 2waf h GLU 132 Cb 0.32 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 2waf h GLU 132 CO -0.23 0.00 -2.02 0.00 -1.16 0.00 0.00 179.01 175.60 2waf n ALA 133 N -2.06 2.51 -1.77 3.43 0.00 -0.61 -4.94 120.51 117.07 2waf n ALA 133 Ca 0.15 -0.65 -0.37 0.00 0.00 0.00 0.00 53.44 52.57 2waf n ALA 133 Cb 1.27 -0.59 -0.02 0.00 0.00 0.00 0.00 19.45 20.10 2waf n ALA 133 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2waf s LEU 134 N -4.64 4.13 0.00 0.00 1.43 0.14 -5.06 118.68 114.69 2waf s LEU 134 Ca -0.08 2.22 0.02 0.00 -1.03 0.00 0.00 54.13 55.26 2waf s LEU 134 Cb 0.12 -4.13 0.03 0.00 0.03 0.00 0.00 46.19 42.23 2waf s LEU 134 CO 0.84 -0.66 0.21 -0.81 0.23 0.00 0.00 176.35 176.16 2waf n PRO 135 N -0.11 0.83 -0.82 1.29 -0.04 -1.26 -5.02 135.00 129.87 2waf n PRO 135 Ca 0.05 -0.78 -0.32 0.00 -0.04 0.00 0.00 63.50 62.41 2waf n PRO 135 Cb 0.48 -0.08 -0.05 0.00 -0.04 0.00 0.00 33.50 33.82 2waf n PRO 135 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2waf n SER 136 N -2.85 0.55 0.00 3.54 7.64 -1.26 -5.17 113.62 116.06 2waf n SER 136 Ca 0.04 0.56 0.00 0.00 1.01 0.00 0.00 58.87 60.48 2waf n SER 136 Cb 0.15 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 2waf n SER 136 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2waf n GLU 149 N 1.84 0.00 0.29 1.43 2.13 -1.26 -5.19 120.64 119.88 2waf n GLU 149 Ca 0.14 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.81 2waf n GLU 149 Cb -0.03 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 31.60 2waf n GLU 149 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 2waf h SER 150 N 0.00 -0.63 0.26 4.31 0.02 -2.04 0.44 113.55 115.91 2waf h SER 150 Ca 0.00 -0.04 -0.15 0.00 -0.84 0.00 0.00 61.79 60.75 2waf h SER 150 Cb 0.00 0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 2waf h SER 150 CO 0.00 -0.32 -0.60 -0.33 -1.14 0.00 0.00 176.83 174.44 2waf h GLU 151 N -0.96 0.34 -0.01 3.45 3.07 -2.05 0.59 114.58 119.02 2waf h GLU 151 Ca -0.08 -0.23 -0.00 0.00 -0.50 0.00 0.00 59.36 58.55 2waf h GLU 151 Cb 0.64 0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.58 2waf h GLU 151 CO 0.13 0.84 0.01 1.25 -1.40 0.00 0.00 179.01 179.83 2waf h LEU 152 N 0.25 0.01 -0.80 1.33 5.85 -1.99 0.41 115.31 120.38 2waf h LEU 152 Ca -0.00 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 2waf h LEU 152 Cb 1.12 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 2waf h LEU 152 CO 0.10 0.05 -0.20 1.88 -0.34 0.00 0.00 178.44 179.92 2waf h TYR 153 N -0.02 0.00 -0.29 1.25 0.05 0.17 -1.16 116.97 116.97 2waf h TYR 153 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 2waf h TYR 153 Cb 0.04 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.76 2waf h TYR 153 CO -0.07 0.20 0.13 -0.97 -1.05 0.00 0.00 178.16 176.40 2waf h ASN 154 N 0.00 0.39 -1.01 3.88 -1.24 0.42 -2.14 115.58 115.89 2waf h ASN 154 Ca -0.00 -0.14 0.22 0.00 0.71 0.00 0.00 56.30 57.09 2waf h ASN 154 Cb 0.86 -0.10 -0.12 0.00 0.73 0.00 0.00 38.32 39.69 2waf h ASN 154 CO 0.03 0.42 0.60 0.78 -1.29 0.00 0.00 177.43 177.97 2waf h ASN 155 N 0.33 0.72 0.31 1.15 4.21 0.11 0.56 115.58 122.96 2waf h ASN 155 Ca 0.10 0.12 -0.02 0.00 1.21 0.00 0.00 56.30 57.71 2waf h ASN 155 Cb 0.15 -0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.35 2waf h ASN 155 CO -0.01 0.18 -0.15 0.00 -1.29 0.00 0.00 177.43 176.16 2waf h ALA 156 N 1.69 -0.49 -0.73 -0.83 0.00 -1.42 -3.20 119.26 114.30 2waf h ALA 156 Ca 0.62 -0.09 0.16 0.00 0.00 0.00 0.00 54.91 55.60 2waf h ALA 156 Cb 1.09 0.16 -0.12 0.00 0.00 0.00 0.00 17.79 18.92 2waf h ALA 156 CO -0.43 -0.46 0.07 -0.24 0.00 0.00 0.00 179.25 178.19 2waf h VAL 157 N -0.92 0.42 -0.35 0.00 3.04 -0.92 -0.31 116.25 117.22 2waf h VAL 157 Ca -0.04 -0.06 0.03 0.00 -1.01 0.00 0.00 66.70 65.62 2waf h VAL 157 Cb 0.32 0.25 -0.04 0.00 -2.01 0.00 0.00 31.29 29.80 2waf h VAL 157 CO 0.07 0.03 -0.21 0.44 -1.01 0.00 0.00 177.57 176.88 2waf h ASP 158 N 0.16 -0.78 0.45 3.17 3.45 -0.01 0.26 116.42 123.13 2waf h ASP 158 Ca 0.40 0.12 0.00 0.00 0.43 0.00 0.00 57.03 57.98 2waf h ASP 158 Cb 0.70 0.34 0.00 0.00 -0.56 0.00 0.00 39.33 39.82 2waf h ASP 158 CO -0.59 -0.09 0.00 -1.20 -1.57 0.00 0.00 179.24 175.79 2waf n SER 159 N -3.81 0.00 0.05 6.45 7.64 -0.27 -3.62 113.62 120.06 2waf n SER 159 Ca 0.01 0.37 -0.13 0.00 1.01 0.00 0.00 58.87 60.13 2waf n SER 159 Cb 0.10 -0.44 -0.09 0.00 -1.01 0.00 0.00 64.21 62.78 2waf n SER 159 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 2waf h VAL 160 N 0.00 1.10 -2.87 0.44 3.04 0.50 -3.42 116.25 115.03 2waf h VAL 160 Ca 0.00 -0.63 -0.55 0.00 -1.01 0.00 0.00 66.70 64.51 2waf h VAL 160 Cb 0.23 1.51 -0.01 0.00 -2.01 0.00 0.00 31.29 31.00 2waf h VAL 160 CO 0.00 0.16 0.87 0.00 -1.01 0.00 0.00 177.57 177.59 2waf s GLN 161 N -5.02 4.26 0.21 4.17 -2.07 -1.23 -4.97 119.66 115.02 2waf s GLN 161 Ca -0.15 1.94 -0.31 0.00 -1.82 0.00 0.00 55.36 55.03 2waf s GLN 161 Cb 0.03 -3.66 -0.10 0.00 -1.09 0.00 0.00 33.01 28.19 2waf s GLN 161 CO 0.64 -0.63 1.52 0.95 -1.32 0.00 0.00 175.29 176.46 2waf s THR 162 N 2.78 2.56 -1.28 3.63 -4.23 -1.26 -4.88 115.64 112.95 2waf s THR 162 Ca 0.64 0.43 0.22 0.00 -1.18 0.00 0.00 61.69 61.80 2waf s THR 162 Cb -0.30 -3.28 -0.15 0.00 1.34 0.00 0.00 72.50 70.11 2waf s THR 162 CO 0.25 0.05 0.99 -1.20 -0.54 0.00 0.00 174.62 174.17 2waf n SER 163 N 3.12 1.24 -4.56 3.99 7.64 -1.26 -4.81 113.62 118.99 2waf n SER 163 Ca 0.10 -1.09 -0.28 0.00 1.01 0.00 0.00 58.87 58.61 2waf n SER 163 Cb 0.39 0.81 -0.05 0.00 -1.01 0.00 0.00 64.21 64.36 2waf n SER 163 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2waf s GLN 164 N -2.86 2.32 -0.20 1.43 1.11 -1.26 -4.80 119.66 115.40 2waf s GLN 164 Ca 0.11 0.27 -0.27 0.00 0.01 0.00 0.00 55.36 55.48 2waf s GLN 164 Cb 0.17 -4.79 0.08 0.00 -1.01 0.00 0.00 33.01 27.45 2waf s GLN 164 CO 0.78 -3.44 0.74 -0.51 0.01 0.00 0.00 175.29 172.87 2waf s LEU 165 N 11.06 -0.69 0.56 2.90 1.43 -1.26 -5.16 118.68 127.51 2waf s LEU 165 Ca 0.77 1.16 -0.15 0.00 -1.03 0.00 0.00 54.13 54.88 2waf s LEU 165 Cb -0.10 2.43 -0.06 0.00 0.03 0.00 0.00 46.19 48.49 2waf s LEU 165 CO 0.09 -0.35 1.01 0.54 0.23 0.00 0.00 176.35 177.87 2waf s ASN 166 N -0.13 6.28 -0.12 2.29 4.22 -1.26 -5.08 114.94 121.14 2waf s ASN 166 Ca -0.03 1.62 -0.09 0.00 -2.14 0.00 0.00 52.86 52.22 2waf s ASN 166 Cb -0.03 -2.51 0.04 0.00 1.28 0.00 0.00 41.25 40.03 2waf s ASN 166 CO 0.03 -0.82 0.30 -0.31 -2.04 0.00 0.00 177.10 174.26 2waf s TYR 167 N -2.68 -0.38 0.32 1.54 2.02 -1.26 -5.12 117.35 111.80 2waf s TYR 167 Ca 0.60 0.88 -0.27 0.00 -0.37 0.00 0.00 57.07 57.91 2waf s TYR 167 Cb -0.12 0.12 -0.13 0.00 -0.40 0.00 0.00 41.96 41.43 2waf s TYR 167 CO 0.37 -0.21 0.93 -2.37 -1.57 0.00 0.00 175.55 172.70 2waf n THR 168 N 3.51 2.05 0.22 -0.71 5.66 -1.26 -4.62 114.28 119.13 2waf n THR 168 Ca -0.18 -0.50 0.16 0.00 -3.05 0.00 0.00 64.05 60.47 2waf n THR 168 Cb 0.56 -0.92 0.81 0.00 -1.55 0.00 0.00 70.33 69.24 2waf n THR 168 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 2waf h GLU 169 N 1.71 0.00 0.00 1.09 4.39 -2.00 0.66 114.58 120.43 2waf h GLU 169 Ca -0.40 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.06 2waf h GLU 169 Cb 1.35 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.96 2waf h GLU 169 CO 0.59 0.00 -1.40 -0.44 -1.16 0.00 0.00 179.01 176.60 2waf h ASP 170 N 0.00 0.00 0.00 1.42 5.19 -2.00 -3.27 116.42 117.76 2waf h ASP 170 Ca 0.07 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 2waf h ASP 170 Cb 0.34 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.85 2waf h ASP 170 CO -0.00 0.93 0.00 1.21 -3.12 0.00 0.00 179.24 178.26 2waf n GLU 171 N -3.13 0.00 0.00 3.56 4.07 0.21 -2.11 120.64 123.25 2waf n GLU 171 Ca -0.10 0.63 0.00 0.00 -0.06 0.00 0.00 57.16 57.63 2waf n GLU 171 Cb 0.98 -1.11 0.00 0.00 -0.06 0.00 0.00 31.44 31.25 2waf n GLU 171 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 2waf n LYS 172 N -1.61 0.00 -0.09 5.31 5.02 -0.18 -0.37 118.16 126.23 2waf n LYS 172 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 2waf n LYS 172 Cb 0.00 -1.32 -0.11 0.00 -0.02 0.00 0.00 35.03 33.58 2waf n LYS 172 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2waf n LYS 173 N -0.56 0.88 0.05 1.97 5.02 -0.90 -3.35 118.16 121.27 2waf n LYS 173 Ca 0.00 0.06 0.12 0.00 -2.02 0.00 0.00 58.31 56.47 2waf n LYS 173 Cb 0.18 -1.42 0.18 0.00 -0.02 0.00 0.00 35.03 33.96 2waf n LYS 173 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 2waf n GLU 174 N -2.89 0.25 -0.20 1.97 0.28 0.50 -2.73 120.64 117.82 2waf n GLU 174 Ca -0.32 0.07 -0.07 0.00 -0.16 0.00 0.00 57.16 56.67 2waf n GLU 174 Cb 0.95 -1.66 0.07 0.00 1.43 0.00 0.00 31.44 32.23 2waf n GLU 174 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 2waf h ILE 175 N 0.00 1.26 0.00 3.84 2.04 -1.68 -0.03 117.51 122.94 2waf h ILE 175 Ca 0.00 -1.06 0.00 0.00 1.00 0.00 0.00 64.86 64.80 2waf h ILE 175 Cb 0.71 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 2waf h ILE 175 CO 0.00 0.39 0.00 0.00 0.00 0.00 0.00 178.15 178.54 2waf n TYR 176 N -4.20 0.00 -0.05 1.37 9.36 -1.10 -1.59 117.16 120.94 2waf n TYR 176 Ca 0.04 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.24 2waf n TYR 176 Cb 0.31 -0.01 -0.01 0.00 -0.63 0.00 0.00 39.34 39.00 2waf n TYR 176 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 2waf n LEU 177 N -0.66 -0.14 -0.31 2.98 4.77 -1.12 0.28 117.00 122.80 2waf n LEU 177 Ca 0.00 0.28 0.09 0.00 -0.03 0.00 0.00 56.01 56.35 2waf n LEU 177 Cb 0.00 -0.06 0.21 0.00 -2.33 0.00 0.00 43.42 41.24 2waf n LEU 177 CO 0.00 -0.21 0.78 0.15 -1.33 0.00 0.00 177.39 176.78 2waf h PHE 178 N 0.00 -0.15 -0.35 -1.77 3.57 -0.89 1.30 116.94 118.65 2waf h PHE 178 Ca 0.02 0.07 0.07 0.00 3.53 0.00 0.00 57.97 61.66 2waf h PHE 178 Cb 0.05 0.21 -0.06 0.00 2.79 0.00 0.00 35.95 38.94 2waf h PHE 178 CO -0.18 -0.36 -0.06 0.77 -2.23 0.00 0.00 178.31 176.25 2waf h SER 179 N 0.04 -0.26 -0.82 0.41 0.02 0.51 0.17 113.55 113.62 2waf h SER 179 Ca 0.50 0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.53 2waf h SER 179 Cb 0.93 0.19 -0.04 0.00 0.14 0.00 0.00 62.40 63.62 2waf h SER 179 CO -0.84 -0.09 0.47 1.56 -1.14 0.00 0.00 176.83 176.78 2waf h GLN 180 N 0.03 1.14 -0.29 3.45 1.08 0.15 -0.98 115.11 119.69 2waf h GLN 180 Ca 0.17 -0.12 -0.13 0.00 -1.45 0.00 0.00 58.65 57.11 2waf h GLN 180 Cb 0.25 -0.23 -0.00 0.00 -0.05 0.00 0.00 27.48 27.45 2waf h GLN 180 CO -0.33 0.83 -0.32 -0.07 -0.95 0.00 0.00 178.83 177.98 2waf h LEU 181 N 1.14 0.78 -1.32 1.46 3.38 0.17 -2.90 115.31 118.03 2waf h LEU 181 Ca 0.29 -0.48 -0.07 0.00 0.09 0.00 0.00 57.88 57.71 2waf h LEU 181 Cb 0.01 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 2waf h LEU 181 CO -0.05 1.11 -0.33 -1.13 0.09 0.00 0.00 178.44 178.13 2waf h ASN 182 N 0.47 0.00 0.04 -0.43 -1.24 -0.57 -2.75 115.58 111.10 2waf h ASN 182 Ca 0.04 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.05 2waf h ASN 182 Cb 0.90 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.95 2waf h ASN 182 CO 0.08 0.33 0.00 0.00 -1.29 0.00 0.00 177.43 176.55 2waf n ALA 183 N -2.42 1.07 -2.34 1.57 0.00 -0.38 -4.67 120.51 113.33 2waf n ALA 183 Ca -0.02 0.15 -0.40 0.00 0.00 0.00 0.00 53.44 53.17 2waf n ALA 183 Cb 0.39 -1.25 -0.05 0.00 0.00 0.00 0.00 19.45 18.54 2waf n ALA 183 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2waf s VAL 184 N -3.41 4.64 0.66 0.00 1.01 -1.04 -5.04 120.40 117.22 2waf s VAL 184 Ca -0.01 1.79 -0.14 0.00 0.00 0.00 0.00 61.98 63.61 2waf s VAL 184 Cb 0.05 -4.19 -0.00 0.00 0.00 0.00 0.00 36.38 32.24 2waf s VAL 184 CO 0.16 0.35 1.09 -0.83 0.00 0.00 0.00 175.10 175.88 2waf s GLY 185 N -0.06 2.06 0.24 4.51 0.00 -1.26 -4.94 107.32 107.87 2waf s GLY 185 Ca 0.41 0.45 -0.31 0.00 0.00 0.00 0.00 44.72 45.27 2waf s GLY 185 CO 0.25 0.79 1.63 0.70 0.00 0.00 0.00 173.10 176.48 2waf n ASN 186 N -2.50 3.74 0.00 1.64 3.02 -1.26 -1.38 115.26 118.51 2waf n ASN 186 Ca 0.10 1.10 0.00 0.00 -0.03 0.00 0.00 54.58 55.75 2waf n ASN 186 Cb 0.52 -1.55 0.00 0.00 -0.61 0.00 0.00 39.78 38.14 2waf n ASN 186 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2waf n PHE 187 N 3.03 0.00 -2.22 3.10 3.01 -1.26 -4.88 117.46 118.24 2waf n PHE 187 Ca 0.13 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.30 2waf n PHE 187 Cb 0.35 -0.25 0.02 0.00 -0.01 0.00 0.00 39.48 39.58 2waf n PHE 187 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2waf s ALA 188 N -2.95 3.21 -0.22 4.37 0.00 -0.48 -4.80 121.76 120.89 2waf s ALA 188 Ca 0.00 -0.38 0.01 0.00 0.00 0.00 0.00 51.96 51.60 2waf s ALA 188 Cb 0.00 -2.82 0.03 0.00 0.00 0.00 0.00 23.12 20.33 2waf s ALA 188 CO 0.00 -0.67 -0.15 0.99 0.00 0.00 0.00 175.76 175.93 2waf s THR 189 N -3.03 2.20 0.55 0.00 2.01 -1.26 -2.32 115.64 113.79 2waf s THR 189 Ca 0.53 -1.19 0.05 0.00 0.31 0.00 0.00 61.69 61.39 2waf s THR 189 Cb -0.11 -2.08 0.04 0.00 0.01 0.00 0.00 72.50 70.36 2waf s THR 189 CO 0.49 0.30 0.42 -0.83 -0.69 0.00 0.00 174.62 174.31 2waf s GLY 190 N 1.23 2.37 0.00 4.40 0.00 0.33 -4.82 107.32 110.82 2waf s GLY 190 Ca -0.00 -1.24 0.00 0.00 0.00 0.00 0.00 44.72 43.48 2waf s GLY 190 CO -0.09 -1.94 0.00 2.41 0.00 0.00 0.00 173.10 173.48 2waf n THR 191 N -1.79 0.00 -3.22 0.90 -1.04 -1.26 0.23 114.28 108.10 2waf n THR 191 Ca -0.01 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 61.99 2waf n THR 191 Cb 0.64 -0.21 -0.02 0.00 -1.82 0.00 0.00 70.33 68.92 2waf n THR 191 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2waf s ILE 192 N 2.12 -0.93 -0.70 12.58 -1.09 -1.21 -4.64 121.20 127.34 2waf s ILE 192 Ca 0.00 -0.12 -0.29 0.00 -2.23 0.00 0.00 60.65 58.01 2waf s ILE 192 Cb 0.00 -0.07 -0.14 0.00 -1.58 0.00 0.00 42.46 40.67 2waf s ILE 192 CO 0.00 -0.06 2.52 0.00 -1.23 0.00 0.00 174.94 176.17 2waf n ALA 193 N 4.38 0.59 -3.00 9.38 0.00 -1.26 -4.76 120.51 125.83 2waf n ALA 193 Ca 0.11 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.99 2waf n ALA 193 Cb 0.56 -2.72 0.00 0.00 0.00 0.00 0.00 19.45 17.28 2waf n ALA 193 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2waf n THR 194 N 7.69 0.00 -3.51 0.00 5.66 -1.26 -4.93 114.28 117.93 2waf n THR 194 Ca 0.50 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 61.35 2waf n THR 194 Cb 0.28 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 68.94 2waf n THR 194 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2waf s ASP 195 N 1.00 0.97 0.03 1.09 1.01 -1.19 -4.92 116.67 114.67 2waf s ASP 195 Ca 0.00 0.03 -0.02 0.00 0.71 0.00 0.00 52.55 53.27 2waf s ASP 195 Cb 0.00 0.56 -0.01 0.00 1.01 0.00 0.00 42.92 44.48 2waf s ASP 195 CO 0.00 -0.30 0.00 -2.65 0.21 0.00 0.00 175.17 172.43 2waf n PRO 196 N 5.33 0.00 -5.18 8.23 -0.02 -1.26 -4.53 135.00 137.57 2waf n PRO 196 Ca -0.05 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.11 2waf n PRO 196 Cb 0.50 -0.08 -0.16 0.00 -0.02 0.00 0.00 33.50 33.74 2waf n PRO 196 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2waf s LEU 197 N 0.34 2.22 0.00 2.45 1.43 -1.26 -4.95 118.68 118.90 2waf s LEU 197 Ca 0.04 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 2waf s LEU 197 Cb -0.05 -1.41 0.00 0.00 0.03 0.00 0.00 46.19 44.76 2waf s LEU 197 CO 0.05 0.28 0.00 -0.46 0.23 0.00 0.00 176.35 176.44 2waf n ASN 198 N 2.75 0.00 -0.01 2.29 0.23 -1.26 -4.95 115.26 114.31 2waf n ASN 198 Ca -0.17 0.00 0.01 0.00 -0.53 0.00 0.00 54.58 53.89 2waf n ASN 198 Cb 0.52 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.18 2waf n ASN 198 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2waf n ASP 199 N 0.00 3.73 -0.05 0.53 10.43 -1.26 -4.09 116.55 125.84 2waf n ASP 199 Ca 0.00 0.00 -0.02 0.00 2.57 0.00 0.00 54.79 57.34 2waf n ASP 199 Cb 0.00 1.01 -0.01 0.00 1.84 0.00 0.00 41.12 43.97 2waf n ASP 199 CO 0.00 0.00 0.00 0.28 -1.07 0.00 0.00 177.20 176.41 2waf h SER 200 N 0.00 0.00 -0.53 -2.24 0.02 -1.96 -2.67 113.55 106.16 2waf h SER 200 Ca -0.05 0.00 0.16 0.00 -0.84 0.00 0.00 61.79 61.06 2waf h SER 200 Cb 0.66 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.10 2waf h SER 200 CO 0.00 0.48 0.05 1.67 -1.14 0.00 0.00 176.83 177.90 2waf n GLN 201 N -4.16 -0.04 0.00 3.45 7.27 -1.26 -0.08 117.38 122.56 2waf n GLN 201 Ca -0.03 0.79 -0.10 0.00 0.07 0.00 0.00 57.00 57.74 2waf n GLN 201 Cb 0.09 -1.28 -0.08 0.00 2.41 0.00 0.00 30.24 31.39 2waf n GLN 201 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 2waf h VAL 202 N 0.00 0.93 0.00 1.69 2.07 -1.71 -3.32 116.25 115.92 2waf h VAL 202 Ca 0.34 -1.40 0.00 0.00 0.82 0.00 0.00 66.70 66.46 2waf h VAL 202 Cb 0.75 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.18 2waf h VAL 202 CO -0.49 0.28 0.00 0.00 0.02 0.00 0.00 177.57 177.38 2waf n ALA 203 N -2.61 2.44 -0.03 1.67 0.00 0.43 -1.66 120.51 120.75 2waf n ALA 203 Ca -0.07 -0.15 -0.13 0.00 0.00 0.00 0.00 53.44 53.09 2waf n ALA 203 Cb 0.27 -1.46 -0.10 0.00 0.00 0.00 0.00 19.45 18.16 2waf n ALA 203 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2waf h VAL 204 N 0.00 1.42 -0.77 0.00 2.07 -0.61 -3.14 116.25 115.22 2waf h VAL 204 Ca 0.00 -1.32 0.07 0.00 0.82 0.00 0.00 66.70 66.27 2waf h VAL 204 Cb 0.19 2.24 -0.05 0.00 -1.52 0.00 0.00 31.29 32.15 2waf h VAL 204 CO 0.00 0.35 0.50 0.40 0.02 0.00 0.00 177.57 178.85 2waf h ILE 205 N -0.42 1.00 0.00 4.57 2.04 -1.41 0.03 117.51 123.33 2waf h ILE 205 Ca 0.00 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.59 2waf h ILE 205 Cb 0.60 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 2waf h ILE 205 CO 0.01 0.14 0.34 0.00 0.00 0.00 0.00 178.15 178.64 2waf h ALA 206 N 1.59 1.33 0.00 1.87 0.00 -1.33 -2.91 119.26 119.82 2waf h ALA 206 Ca 0.34 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 55.05 2waf h ALA 206 Cb 0.31 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 2waf h ALA 206 CO -0.12 -0.33 -1.75 -1.13 0.00 0.00 0.00 179.25 175.92 2waf n SER 207 N -2.79 2.44 -1.60 0.00 3.41 -0.03 -4.72 113.62 110.32 2waf n SER 207 Ca -0.02 -0.01 -0.15 0.00 -0.26 0.00 0.00 58.87 58.43 2waf n SER 207 Cb 0.38 0.60 0.08 0.00 -0.26 0.00 0.00 64.21 65.01 2waf n SER 207 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2waf n ILE 208 N -2.49 2.45 -0.01 -1.33 -0.00 -1.02 -4.60 119.36 112.35 2waf n ILE 208 Ca -0.19 -3.90 -0.09 0.00 -0.00 0.00 0.00 62.75 58.56 2waf n ILE 208 Cb 0.84 -0.87 -0.04 0.00 -0.00 0.00 0.00 39.64 39.57 2waf n ILE 208 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.55 176.83 2waf h SER 209 N 1.82 -0.15 0.00 7.28 0.02 -1.80 -1.50 113.55 119.22 2waf h SER 209 Ca 0.26 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 2waf h SER 209 Cb 1.38 0.09 0.00 0.00 0.14 0.00 0.00 62.40 64.01 2waf h SER 209 CO 0.54 -0.06 0.00 0.29 -1.14 0.00 0.00 176.83 176.47 2waf n LYS 210 N -5.17 0.06 0.00 3.45 5.02 -1.26 0.12 118.16 120.38 2waf n LYS 210 Ca -0.04 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.27 2waf n LYS 210 Cb 0.10 -1.23 0.01 0.00 -0.02 0.00 0.00 35.03 33.88 2waf n LYS 210 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2waf n GLU 211 N -0.73 1.16 -2.90 1.97 1.02 -0.58 -4.54 120.64 116.03 2waf n GLU 211 Ca 0.01 -0.49 -0.21 0.00 -0.02 0.00 0.00 57.16 56.44 2waf n GLU 211 Cb 0.00 -0.94 -0.02 0.00 -0.02 0.00 0.00 31.44 30.46 2waf n GLU 211 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2waf n MET 212 N -0.16 2.20 0.00 3.49 2.81 0.33 -5.06 117.12 120.73 2waf n MET 212 Ca 0.01 -4.06 0.00 0.00 -1.81 0.00 0.00 57.70 51.84 2waf n MET 212 Cb 0.06 -1.91 0.00 0.00 -0.71 0.00 0.00 33.22 30.66 2waf n MET 212 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 2waf n PRO 213 N -0.09 0.00 0.00 0.03 -0.02 -1.01 -1.95 135.00 131.96 2waf n PRO 213 Ca 0.27 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 2waf n PRO 213 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.07 2waf n PRO 213 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2waf n GLY 214 N 0.00 2.42 3.52 -1.23 0.00 -1.26 -4.79 105.19 103.86 2waf n GLY 214 Ca 0.00 -0.49 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 2waf n GLY 214 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2waf n ILE 215 N 0.00 2.24 -3.54 -0.61 2.08 -0.82 -4.11 119.36 114.59 2waf n ILE 215 Ca 0.00 -0.50 -0.10 0.00 0.56 0.00 0.00 62.75 62.71 2waf n ILE 215 Cb 0.00 -0.83 -0.02 0.00 -0.75 0.00 0.00 39.64 38.05 2waf n ILE 215 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 2waf s SER 216 N -0.93 -0.45 -0.17 4.38 1.04 -0.28 -4.63 113.70 112.66 2waf s SER 216 Ca 0.65 -0.15 -0.05 0.00 0.48 0.00 0.00 55.95 56.88 2waf s SER 216 Cb -0.55 0.59 -0.03 0.00 0.10 0.00 0.00 66.02 66.12 2waf s SER 216 CO 0.56 -0.99 -0.00 -0.63 0.98 0.00 0.00 173.24 173.16 2waf s ILE 217 N -3.66 4.16 0.28 -1.02 -1.09 -1.25 0.48 121.20 119.10 2waf s ILE 217 Ca 0.04 -0.26 0.11 0.00 -2.23 0.00 0.00 60.65 58.32 2waf s ILE 217 Cb -0.02 -2.85 -0.05 0.00 -1.58 0.00 0.00 42.46 37.96 2waf s ILE 217 CO -0.07 0.47 -0.16 -0.44 -1.23 0.00 0.00 174.94 173.51 2waf s SER 218 N 0.48 3.79 -0.51 3.58 0.01 3.23 -4.80 113.70 119.48 2waf s SER 218 Ca -0.01 -0.95 -0.14 0.00 1.31 0.00 0.00 55.95 56.16 2waf s SER 218 Cb -0.14 -0.41 0.12 0.00 0.21 0.00 0.00 66.02 65.80 2waf s SER 218 CO 0.02 0.03 0.44 -0.89 0.41 0.00 0.00 173.24 173.25 2waf s THR 219 N -2.46 4.89 0.45 1.44 2.01 -1.26 0.37 115.64 121.09 2waf s THR 219 Ca 0.30 -1.54 0.01 0.00 0.31 0.00 0.00 61.69 60.77 2waf s THR 219 Cb -0.05 -4.14 0.00 0.00 0.01 0.00 0.00 72.50 68.32 2waf s THR 219 CO 0.16 -0.81 0.66 -0.55 -0.69 0.00 0.00 174.62 173.39 2waf s SER 220 N 3.20 5.77 -0.09 3.53 0.15 -0.45 -4.90 113.70 120.91 2waf s SER 220 Ca 0.04 0.17 -0.13 0.00 0.70 0.00 0.00 55.95 56.73 2waf s SER 220 Cb -0.28 -1.38 0.03 0.00 -1.71 0.00 0.00 66.02 62.67 2waf s SER 220 CO 0.02 -0.73 0.34 -1.66 1.20 0.00 0.00 173.24 172.41 2waf s TRP 221 N -2.53 -0.32 -0.04 3.44 -2.14 -1.26 -2.10 118.94 113.99 2waf s TRP 221 Ca 0.49 0.73 -0.15 0.00 2.66 0.00 0.00 56.10 59.84 2waf s TRP 221 Cb -0.10 0.12 -0.05 0.00 -3.10 0.00 0.00 33.47 30.34 2waf s TRP 221 CO 0.37 -0.25 0.39 -0.51 -2.66 0.00 0.00 176.95 174.29 2waf s ASP 222 N -0.29 6.74 -0.17 -2.66 1.01 -1.00 -4.92 116.67 115.38 2waf s ASP 222 Ca -0.04 0.88 0.00 0.00 0.71 0.00 0.00 52.55 54.10 2waf s ASP 222 Cb -0.03 -2.24 0.04 0.00 1.01 0.00 0.00 42.92 41.69 2waf s ASP 222 CO 0.02 0.27 -0.10 -0.60 0.21 0.00 0.00 175.17 174.97 2waf s ARG 223 N -0.73 1.96 0.18 8.23 6.06 -1.26 -0.83 118.95 132.57 2waf s ARG 223 Ca 0.23 -0.66 0.09 0.00 -2.50 0.00 0.00 55.73 52.89 2waf s ARG 223 Cb -0.16 -2.19 -0.04 0.00 0.06 0.00 0.00 34.95 32.61 2waf s ARG 223 CO 0.12 -0.36 -0.18 -1.59 -2.50 0.00 0.00 175.30 170.78 2waf s LYS 224 N 1.49 1.34 -0.19 5.12 -2.85 -0.82 -4.95 119.74 118.87 2waf s LYS 224 Ca 0.01 -1.48 -0.08 0.00 -1.00 0.00 0.00 55.97 53.42 2waf s LYS 224 Cb -0.15 -1.35 -0.04 0.00 -2.06 0.00 0.00 37.83 34.23 2waf s LYS 224 CO -0.09 0.26 0.08 0.08 0.10 0.00 0.00 175.35 175.78 2waf s VAL 225 N -2.26 4.89 0.55 1.79 1.01 -1.26 -0.49 120.40 124.63 2waf s VAL 225 Ca 0.19 0.00 -0.18 0.00 0.00 0.00 0.00 61.98 61.99 2waf s VAL 225 Cb -0.05 -3.22 -0.05 0.00 0.00 0.00 0.00 36.38 33.06 2waf s VAL 225 CO 0.08 0.45 1.09 -0.76 0.00 0.00 0.00 175.10 175.95 2waf s LEU 226 N 0.46 3.68 -0.44 3.92 1.43 -0.65 -4.97 118.68 122.11 2waf s LEU 226 Ca 0.04 2.02 -0.29 0.00 -1.03 0.00 0.00 54.13 54.87 2waf s LEU 226 Cb -0.12 -4.56 0.02 0.00 0.03 0.00 0.00 46.19 41.56 2waf s LEU 226 CO 0.00 -1.16 1.22 -1.61 0.23 0.00 0.00 176.35 175.04 2waf s GLU 227 N -3.53 3.71 -0.19 1.70 2.02 -1.26 -4.58 118.70 116.57 2waf s GLU 227 Ca 0.69 0.74 -0.28 0.00 0.02 0.00 0.00 54.97 56.14 2waf s GLU 227 Cb -0.20 -3.93 0.10 0.00 0.10 0.00 0.00 34.13 30.20 2waf s GLU 227 CO 0.29 -1.40 0.86 0.95 0.02 0.00 0.00 175.26 175.98 2waf s THR 228 N 4.70 0.00 0.47 3.63 -4.23 -1.26 -5.02 115.64 113.92 2waf s THR 228 Ca 0.52 0.00 0.38 0.00 -1.18 0.00 0.00 61.69 61.41 2waf s THR 228 Cb -0.10 -1.00 0.57 0.00 1.34 0.00 0.00 72.50 73.31 2waf s THR 228 CO 0.31 0.00 1.51 -1.54 -0.54 0.00 0.00 174.62 174.36 2waf n SER 229 N 1.65 0.13 0.09 3.99 3.41 -1.26 0.14 113.62 121.77 2waf n SER 229 Ca -0.14 1.21 0.13 0.00 -0.26 0.00 0.00 58.87 59.81 2waf n SER 229 Cb 0.56 -0.60 0.32 0.00 -0.26 0.00 0.00 64.21 64.24 2waf n SER 229 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2waf n LEU 230 N -4.37 0.78 -0.23 1.04 4.77 -1.26 -4.01 117.00 113.73 2waf n LEU 230 Ca 0.41 0.45 0.04 0.00 -0.03 0.00 0.00 56.01 56.87 2waf n LEU 230 Cb 1.67 -0.27 0.09 0.00 -2.33 0.00 0.00 43.42 42.59 2waf n LEU 230 CO 0.27 -0.14 0.42 -1.54 -1.33 0.00 0.00 177.39 175.06 2waf n SER 231 N -2.22 -0.23 -0.22 -1.43 3.41 0.36 0.16 113.62 113.46 2waf n SER 231 Ca 0.05 1.09 0.03 0.00 -0.26 0.00 0.00 58.87 59.77 2waf n SER 231 Cb 0.43 -0.33 0.13 0.00 -0.26 0.00 0.00 64.21 64.19 2waf n SER 231 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2waf h SER 232 N 0.00 -0.17 -0.17 4.04 0.87 -1.77 -2.69 113.55 113.66 2waf h SER 232 Ca 0.30 0.15 -0.10 0.00 -1.23 0.00 0.00 61.79 60.92 2waf h SER 232 Cb 0.46 0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.66 2waf h SER 232 CO -0.65 -0.09 -0.27 0.40 -0.53 0.00 0.00 176.83 175.70 2waf h ILE 233 N 0.17 1.35 -0.77 2.23 1.08 -0.57 -3.25 117.51 117.74 2waf h ILE 233 Ca 0.36 -1.49 0.21 0.00 -0.39 0.00 0.00 64.86 63.55 2waf h ILE 233 Cb 0.60 1.89 -0.14 0.00 -3.07 0.00 0.00 36.82 36.10 2waf h ILE 233 CO -0.53 0.45 0.01 0.52 -0.69 0.00 0.00 178.15 177.92 2waf n VAL 234 N -4.40 -0.32 -3.13 1.67 0.31 -1.01 -3.11 118.33 108.34 2waf n VAL 234 Ca -0.06 1.70 0.00 0.00 -0.01 0.00 0.00 64.34 65.97 2waf n VAL 234 Cb 0.45 -2.47 0.00 0.00 -0.91 0.00 0.00 33.84 30.91 2waf n VAL 234 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2waf n GLY 235 N -1.39 -1.70 3.11 2.92 0.00 -1.23 -0.99 105.19 105.91 2waf n GLY 235 Ca 0.18 -1.49 -0.07 0.00 0.00 0.00 0.00 46.02 44.64 2waf n GLY 235 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2waf s SER 236 N -4.00 0.41 0.24 1.61 1.04 -1.22 -4.85 113.70 106.93 2waf s SER 236 Ca 0.00 -0.94 0.11 0.00 0.48 0.00 0.00 55.95 55.61 2waf s SER 236 Cb 0.00 0.23 -0.05 0.00 0.10 0.00 0.00 66.02 66.30 2waf s SER 236 CO 0.00 -0.63 -0.18 -0.69 0.98 0.00 0.00 173.24 172.72 2waf s VAL 237 N -3.91 2.62 0.31 5.02 1.01 -1.26 -0.26 120.40 123.93 2waf s VAL 237 Ca 0.07 -2.14 -0.29 0.00 0.00 0.00 0.00 61.98 59.62 2waf s VAL 237 Cb 0.07 -2.33 -0.10 0.00 0.00 0.00 0.00 36.38 34.02 2waf s VAL 237 CO -0.10 -0.27 1.41 -0.94 0.00 0.00 0.00 175.10 175.20 2waf s SER 238 N -3.16 6.62 1.24 3.32 1.04 0.72 -4.83 113.70 118.64 2waf s SER 238 Ca 0.26 2.77 -0.17 0.00 0.48 0.00 0.00 55.95 59.29 2waf s SER 238 Cb -0.07 -2.64 0.30 0.00 0.10 0.00 0.00 66.02 63.71 2waf s SER 238 CO 0.14 -0.69 1.02 -0.94 0.98 0.00 0.00 173.24 173.75 2waf s SER 239 N -0.04 0.50 0.09 7.02 1.04 -1.26 -4.42 113.70 116.63 2waf s SER 239 Ca 0.54 1.09 0.22 0.00 0.48 0.00 0.00 55.95 58.29 2waf s SER 239 Cb -0.42 -1.64 -0.16 0.00 0.10 0.00 0.00 66.02 63.90 2waf s SER 239 CO 0.51 -4.44 0.78 1.21 0.98 0.00 0.00 173.24 172.28 2waf n GLU 240 N -5.03 0.62 0.25 4.02 2.13 -1.26 -2.33 120.64 119.04 2waf n GLU 240 Ca 0.08 -0.03 0.15 0.00 0.66 0.00 0.00 57.16 58.02 2waf n GLU 240 Cb 0.57 -1.67 0.53 0.00 0.27 0.00 0.00 31.44 31.15 2waf n GLU 240 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 2waf h LYS 241 N 0.00 0.00 0.02 5.31 1.63 -1.94 -3.32 116.57 118.27 2waf h LYS 241 Ca 0.00 0.00 -0.16 0.00 -0.85 0.00 0.00 60.65 59.64 2waf h LYS 241 Cb 0.99 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.60 2waf h LYS 241 CO 0.00 0.00 -0.86 0.00 -3.45 0.00 0.00 179.45 175.14 2waf h ALA 242 N 2.03 0.16 0.00 5.00 0.00 -1.86 -3.49 119.26 121.11 2waf h ALA 242 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 54.91 53.96 2waf h ALA 242 Cb 0.63 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2waf h ALA 242 CO 0.00 0.48 0.00 0.41 0.00 0.00 0.00 179.25 180.14 2waf n GLY 243 N 1.54 1.13 3.33 0.00 0.00 -0.98 -4.79 105.19 105.40 2waf n GLY 243 Ca -0.24 -0.48 0.01 0.00 0.00 0.00 0.00 46.02 45.31 2waf n GLY 243 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2waf s LEU 244 N 0.00 -1.24 -0.50 0.99 1.98 -1.26 -3.88 118.68 114.77 2waf s LEU 244 Ca 0.00 1.11 -0.29 0.00 -2.89 0.00 0.00 54.13 52.06 2waf s LEU 244 Cb 0.00 2.14 0.03 0.00 0.66 0.00 0.00 46.19 49.02 2waf s LEU 244 CO 0.00 -0.25 1.21 -2.16 -1.89 0.00 0.00 176.35 173.26 2waf s PRO 245 N 2.85 3.62 0.01 0.98 0.04 -1.26 -4.81 135.00 136.43 2waf s PRO 245 Ca 0.10 0.53 -0.02 0.00 0.04 0.00 0.00 61.00 61.64 2waf s PRO 245 Cb -0.14 -3.97 -0.01 0.00 0.04 0.00 0.00 34.50 30.43 2waf s PRO 245 CO -0.20 -1.53 0.67 0.00 0.04 0.00 0.00 177.00 175.98 2waf n ALA 246 N 8.26 -0.05 0.00 8.56 0.00 -1.26 0.09 120.51 136.11 2waf n ALA 246 Ca 0.12 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2waf n ALA 246 Cb 0.49 0.26 0.00 0.00 0.00 0.00 0.00 19.45 20.20 2waf n ALA 246 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2waf n GLU 247 N -2.88 0.00 0.00 0.00 4.71 -1.26 0.83 120.64 122.04 2waf n GLU 247 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 57.16 57.28 2waf n GLU 247 Cb 0.02 0.00 0.36 0.00 -1.01 0.00 0.00 31.44 30.81 2waf n GLU 247 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2waf n GLU 248 N -0.08 1.89 -0.28 3.49 -0.58 -0.97 -4.61 120.64 119.49 2waf n GLU 248 Ca 0.00 -1.31 -0.07 0.00 -0.42 0.00 0.00 57.16 55.35 2waf n GLU 248 Cb 0.00 -1.47 -0.07 0.00 -0.57 0.00 0.00 31.44 29.33 2waf n GLU 248 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2waf n ALA 249 N 0.59 -0.43 0.23 0.62 0.00 4.62 -2.40 120.51 123.74 2waf n ALA 249 Ca 0.17 0.57 -0.17 0.00 0.00 0.00 0.00 53.44 54.01 2waf n ALA 249 Cb 0.45 -0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.80 2waf n ALA 249 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2waf h GLU 250 N 0.00 -0.84 -0.94 0.00 4.81 -1.80 -1.34 114.58 114.47 2waf h GLU 250 Ca 0.11 0.06 0.27 0.00 -0.13 0.00 0.00 59.36 59.67 2waf h GLU 250 Cb 0.28 0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.81 2waf h GLU 250 CO -0.63 -0.56 0.70 0.00 -0.73 0.00 0.00 179.01 177.79 2waf n ALA 251 N -2.81 0.90 0.05 2.92 0.00 -1.01 -0.18 120.51 120.38 2waf n ALA 251 Ca -0.10 0.31 -0.21 0.00 0.00 0.00 0.00 53.44 53.44 2waf n ALA 251 Cb 0.43 -0.54 -0.15 0.00 0.00 0.00 0.00 19.45 19.19 2waf n ALA 251 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 2waf h TYR 252 N 0.00 0.57 -0.55 0.00 0.05 -1.29 -3.07 116.97 112.68 2waf h TYR 252 Ca 0.45 -0.42 0.11 0.00 0.05 0.00 0.00 58.73 58.92 2waf h TYR 252 Cb 1.85 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 39.54 2waf h TYR 252 CO 0.00 1.38 0.38 -0.07 -1.05 0.00 0.00 178.16 178.80 2waf h LEU 253 N -0.31 0.26 -0.79 3.88 3.38 -0.64 0.31 115.31 121.39 2waf h LEU 253 Ca -0.18 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.68 2waf h LEU 253 Cb 1.72 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.41 2waf h LEU 253 CO 0.15 0.15 -0.27 0.50 0.09 0.00 0.00 178.44 179.06 2waf h LYS 254 N 0.28 0.61 0.00 1.13 3.64 -1.60 -2.01 116.57 118.63 2waf h LYS 254 Ca 0.26 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2waf h LYS 254 Cb 0.64 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 2waf h LYS 254 CO -0.06 0.82 0.00 1.63 -2.27 0.00 0.00 179.45 179.57 2waf n LYS 255 N -4.10 0.10 0.00 1.90 5.02 0.79 -4.92 118.16 116.95 2waf n LYS 255 Ca -0.00 0.15 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 2waf n LYS 255 Cb 0.44 -1.64 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 2waf n LYS 255 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2waf n GLY 256 N 1.07 1.30 3.77 0.72 0.00 0.49 -5.09 105.19 107.45 2waf n GLY 256 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 2waf n GLY 256 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2waf s TYR 257 N -2.00 3.23 0.59 1.61 2.02 -1.02 -4.97 117.35 116.81 2waf s TYR 257 Ca 0.00 1.61 -0.20 0.00 -0.37 0.00 0.00 57.07 58.11 2waf s TYR 257 Cb 0.00 -3.28 -0.04 0.00 -0.40 0.00 0.00 41.96 38.24 2waf s TYR 257 CO 0.00 -0.94 1.25 0.45 -1.57 0.00 0.00 175.55 174.74 2waf n SER 258 N 0.25 2.05 0.11 2.29 2.88 -1.26 -4.54 113.62 115.40 2waf n SER 258 Ca 0.03 0.89 -0.00 0.00 -1.33 0.00 0.00 58.87 58.46 2waf n SER 258 Cb 0.47 -1.53 0.27 0.00 -0.75 0.00 0.00 64.21 62.68 2waf n SER 258 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2waf h LEU 259 N 0.93 0.19 -1.09 2.46 5.85 -1.95 -2.97 115.31 118.74 2waf h LEU 259 Ca -0.50 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.15 2waf h LEU 259 Cb 1.33 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.31 2waf h LEU 259 CO 0.54 0.55 0.00 -0.46 -0.34 0.00 0.00 178.44 178.73 2waf n ASN 260 N -4.08 1.61 -3.14 1.25 6.94 -1.26 -3.98 115.26 112.60 2waf n ASN 260 Ca -0.01 -1.82 -0.19 0.00 -0.02 0.00 0.00 54.58 52.53 2waf n ASN 260 Cb 0.43 -0.15 0.18 0.00 -2.36 0.00 0.00 39.78 37.88 2waf n ASN 260 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 2waf n ASP 261 N 0.32 -3.34 -3.77 0.53 8.00 -1.12 -4.52 116.55 112.65 2waf n ASP 261 Ca 0.14 -0.54 -0.20 0.00 0.71 0.00 0.00 54.79 54.90 2waf n ASP 261 Cb 0.29 -0.62 -0.17 0.00 -0.02 0.00 0.00 41.12 40.60 2waf n ASP 261 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2waf s ARG 262 N -4.23 0.34 0.06 -1.24 0.52 -1.25 -4.02 118.95 109.13 2waf s ARG 262 Ca 0.41 0.15 0.02 0.00 -0.52 0.00 0.00 55.73 55.79 2waf s ARG 262 Cb -0.07 -0.66 -0.03 0.00 0.52 0.00 0.00 34.95 34.70 2waf s ARG 262 CO 0.34 -0.23 -0.07 0.14 0.02 0.00 0.00 175.30 175.50 2waf s VAL 263 N 1.59 0.57 0.30 3.52 -7.23 -1.26 -4.84 120.40 113.04 2waf s VAL 263 Ca -0.02 -1.31 -0.30 0.00 -1.81 0.00 0.00 61.98 58.55 2waf s VAL 263 Cb -0.13 -0.89 -0.12 0.00 0.56 0.00 0.00 36.38 35.81 2waf s VAL 263 CO -0.03 -0.52 1.55 0.61 -0.31 0.00 0.00 175.10 176.40 2waf n GLY 264 N 1.06 1.23 0.01 2.32 0.00 -1.26 -0.20 105.19 108.36 2waf n GLY 264 Ca -0.20 0.44 0.11 0.00 0.00 0.00 0.00 46.02 46.37 2waf n GLY 264 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2waf n THR 265 N 1.80 0.07 -3.61 2.61 -2.24 0.64 -4.46 114.28 109.08 2waf n THR 265 Ca 0.08 -0.17 -0.06 0.00 -2.27 0.00 0.00 64.05 61.63 2waf n THR 265 Cb 0.36 0.48 -0.04 0.00 -2.10 0.00 0.00 70.33 69.03 2waf n THR 265 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2waf s SER 266 N -3.58 -0.19 0.90 3.42 1.04 -1.24 -4.94 113.70 109.12 2waf s SER 266 Ca 0.04 0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.66 2waf s SER 266 Cb 0.15 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.43 2waf s SER 266 CO 0.83 -0.19 0.00 -1.22 0.98 0.00 0.00 173.24 173.64 2waf n TYR 267 N 0.55 -0.35 -0.19 5.02 0.53 -1.26 -3.18 117.16 118.28 2waf n TYR 267 Ca -0.05 0.00 -0.05 0.00 -1.02 0.00 0.00 57.90 56.79 2waf n TYR 267 Cb 0.58 0.13 0.01 0.00 -1.03 0.00 0.00 39.34 39.03 2waf n TYR 267 CO 0.00 0.00 0.00 -0.07 -1.02 0.00 0.00 176.86 175.77 2waf h LEU 268 N 0.00 -1.05 -1.18 7.72 3.38 -1.47 0.35 115.31 123.06 2waf h LEU 268 Ca 0.00 0.22 0.35 0.00 0.09 0.00 0.00 57.88 58.54 2waf h LEU 268 Cb 0.00 0.54 -0.14 0.00 0.09 0.00 0.00 40.66 41.15 2waf h LEU 268 CO 0.00 -0.29 0.67 -0.33 0.09 0.00 0.00 178.44 178.57 2waf h GLU 269 N -0.15 0.24 0.16 1.13 4.39 -1.08 0.55 114.58 119.83 2waf h GLU 269 Ca 0.24 -0.01 -0.26 0.00 0.34 0.00 0.00 59.36 59.66 2waf h GLU 269 Cb 0.54 -0.05 0.02 0.00 -0.10 0.00 0.00 28.75 29.15 2waf h GLU 269 CO -0.66 0.16 -1.21 -0.22 -1.16 0.00 0.00 179.01 175.92 2waf h LYS 270 N 0.25 0.35 -0.24 2.33 3.64 -0.47 -3.35 116.57 119.08 2waf h LYS 270 Ca 0.74 -0.60 0.05 0.00 -1.27 0.00 0.00 60.65 59.57 2waf h LYS 270 Cb 1.94 0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 33.94 2waf h LYS 270 CO -0.51 1.28 -0.04 0.37 -2.27 0.00 0.00 179.45 178.29 2waf h GLN 271 N -0.20 0.03 -1.00 1.90 5.75 0.36 -2.31 115.11 119.64 2waf h GLN 271 Ca -0.23 -0.00 -0.58 0.00 -0.15 0.00 0.00 58.65 57.69 2waf h GLN 271 Cb 1.83 -0.01 -0.30 0.00 1.07 0.00 0.00 27.48 30.08 2waf h GLN 271 CO 0.16 0.02 0.74 0.66 -2.65 0.00 0.00 178.83 177.75 2waf n TYR 272 N -5.19 3.11 0.04 3.99 4.02 -0.75 -4.70 117.16 117.68 2waf n TYR 272 Ca -0.01 -2.30 -0.14 0.00 -0.01 0.00 0.00 57.90 55.43 2waf n TYR 272 Cb 0.14 -1.14 -0.08 0.00 -0.02 0.00 0.00 39.34 38.24 2waf n TYR 272 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 2waf h GLU 273 N 1.38 -0.56 0.00 -0.72 4.57 -1.56 -1.57 114.58 116.12 2waf h GLU 273 Ca 0.62 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.84 2waf h GLU 273 Cb 2.05 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 30.77 2waf h GLU 273 CO 1.29 -0.38 0.00 0.39 -1.18 0.00 0.00 179.01 179.13 2waf n GLU 274 N -5.45 0.00 0.22 1.92 4.71 -1.26 -1.40 120.64 119.37 2waf n GLU 274 Ca -0.06 0.47 0.06 0.00 -0.01 0.00 0.00 57.16 57.62 2waf n GLU 274 Cb 0.38 -0.73 0.50 0.00 -1.01 0.00 0.00 31.44 30.57 2waf n GLU 274 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 177.13 179.01 2waf h THR 275 N 0.00 1.00 0.09 2.62 1.35 -1.78 -3.19 112.91 113.00 2waf h THR 275 Ca 0.00 -0.92 -0.18 0.00 -0.55 0.00 0.00 66.41 64.76 2waf h THR 275 Cb 0.00 1.52 0.02 0.00 -1.73 0.00 0.00 68.15 67.96 2waf h THR 275 CO 0.00 0.25 -0.77 -0.07 -0.25 0.00 0.00 175.52 174.68 2waf h LEU 276 N 0.00 0.52 -9.27 3.87 3.38 -0.28 -2.97 115.31 110.57 2waf h LEU 276 Ca -0.00 -0.87 -0.67 0.00 0.09 0.00 0.00 57.88 56.42 2waf h LEU 276 Cb 0.50 -0.16 0.03 0.00 0.09 0.00 0.00 40.66 41.12 2waf h LEU 276 CO 0.03 1.34 0.82 1.67 0.09 0.00 0.00 178.44 182.39 2waf n GLN 277 N -4.14 1.56 -2.94 1.13 -0.06 -0.74 -2.19 117.38 109.99 2waf n GLN 277 Ca -0.13 0.57 -0.40 0.00 -2.00 0.00 0.00 57.00 55.04 2waf n GLN 277 Cb 0.78 -2.29 -0.04 0.00 -4.06 0.00 0.00 30.24 24.62 2waf n GLN 277 CO 0.00 0.00 0.00 0.20 -0.20 0.00 0.00 177.06 177.06 2waf s GLY 278 N 2.45 2.76 0.23 1.69 0.00 -1.22 -4.67 107.32 108.56 2waf s GLY 278 Ca 0.90 0.29 -0.31 0.00 0.00 0.00 0.00 44.72 45.60 2waf s GLY 278 CO 0.53 1.25 1.16 0.28 0.00 0.00 0.00 173.10 176.33 2waf n LYS 279 N 3.37 1.42 -2.88 2.90 5.02 -1.26 -3.54 118.16 123.19 2waf n LYS 279 Ca -0.00 0.50 -0.35 0.00 -2.02 0.00 0.00 58.31 56.44 2waf n LYS 279 Cb 0.51 -1.99 -0.07 0.00 -0.02 0.00 0.00 35.03 33.46 2waf n LYS 279 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2waf s ARG 280 N -0.79 4.37 0.59 1.97 0.52 -1.26 -3.00 118.95 121.34 2waf s ARG 280 Ca 0.67 1.13 -0.09 0.00 -0.52 0.00 0.00 55.73 56.92 2waf s ARG 280 Cb -0.76 -2.59 -0.03 0.00 0.52 0.00 0.00 34.95 32.10 2waf s ARG 280 CO 0.54 0.19 0.95 0.45 0.02 0.00 0.00 175.30 177.46 2waf s SER 281 N -1.85 6.06 -0.04 0.23 0.15 0.51 -4.59 113.70 114.16 2waf s SER 281 Ca 0.53 1.15 -0.04 0.00 0.70 0.00 0.00 55.95 58.30 2waf s SER 281 Cb -0.15 -2.25 0.01 0.00 -1.71 0.00 0.00 66.02 61.93 2waf s SER 281 CO 0.19 -0.87 0.11 -0.69 1.20 0.00 0.00 173.24 173.19 2waf s VAL 282 N -3.05 -0.00 -0.26 4.45 1.01 -0.03 -1.93 120.40 120.59 2waf s VAL 282 Ca 0.53 0.00 -0.19 0.00 0.00 0.00 0.00 61.98 62.32 2waf s VAL 282 Cb -0.11 -0.16 0.07 0.00 0.00 0.00 0.00 36.38 36.18 2waf s VAL 282 CO 0.50 0.00 0.66 -0.54 0.00 0.00 0.00 175.10 175.72 2waf s LYS 283 N 0.06 0.72 0.33 2.72 1.02 -0.68 -2.58 119.74 121.33 2waf s LYS 283 Ca -0.00 1.07 0.07 0.00 0.02 0.00 0.00 55.97 57.13 2waf s LYS 283 Cb -0.01 0.23 -0.06 0.00 -0.52 0.00 0.00 37.83 37.47 2waf s LYS 283 CO 0.00 -0.13 -0.04 -1.83 -0.92 0.00 0.00 175.35 172.43 2waf s GLU 284 N 1.08 1.72 0.07 1.68 -1.05 -1.15 0.59 118.70 121.63 2waf s GLU 284 Ca -0.06 -1.91 0.07 0.00 -0.15 0.00 0.00 54.97 52.93 2waf s GLU 284 Cb -0.05 -1.38 -0.03 0.00 -0.44 0.00 0.00 34.13 32.23 2waf s GLU 284 CO -0.11 0.03 -0.20 0.42 0.95 0.00 0.00 175.26 176.35 2waf s ILE 285 N -2.87 1.63 0.37 1.83 1.09 0.23 -3.32 121.20 120.16 2waf s ILE 285 Ca 0.32 -1.31 0.08 0.00 -1.10 0.00 0.00 60.65 58.64 2waf s ILE 285 Cb 0.05 -1.45 -0.04 0.00 -1.06 0.00 0.00 42.46 39.96 2waf s ILE 285 CO 0.15 0.08 0.20 -1.00 -0.10 0.00 0.00 174.94 174.27 2waf s HIS 286 N -0.95 2.70 0.00 3.97 3.76 -1.19 -4.21 115.29 119.37 2waf s HIS 286 Ca 0.06 -0.44 0.00 0.00 -0.15 0.00 0.00 55.06 54.53 2waf s HIS 286 Cb -0.09 -1.81 0.00 0.00 1.11 0.00 0.00 32.58 31.79 2waf s HIS 286 CO 0.03 0.22 0.00 1.28 -0.85 0.00 0.00 174.74 175.42 2waf n LEU 287 N -1.24 0.00 -4.70 0.89 4.32 -1.26 -2.83 117.00 112.18 2waf n LEU 287 Ca -0.02 0.00 -0.30 0.00 -0.02 0.00 0.00 56.01 55.67 2waf n LEU 287 Cb 0.62 0.00 0.23 0.00 -1.62 0.00 0.00 43.42 42.65 2waf n LEU 287 CO 0.44 0.00 0.71 1.51 -1.22 0.00 0.00 177.39 178.82 2waf s ASP 288 N 0.00 1.38 0.00 -1.43 3.84 -1.25 -4.81 116.67 114.40 2waf s ASP 288 Ca 0.00 0.43 0.04 0.00 -0.00 0.00 0.00 52.55 53.02 2waf s ASP 288 Cb 0.00 -0.53 0.24 0.00 -1.38 0.00 0.00 42.92 41.25 2waf s ASP 288 CO 0.00 -3.82 0.84 2.29 -0.00 0.00 0.00 175.17 174.48 2waf n LYS 289 N -4.52 0.11 0.00 2.11 2.85 -1.26 -1.99 118.16 115.45 2waf n LYS 289 Ca 0.15 0.11 0.03 0.00 -1.05 0.00 0.00 58.31 57.55 2waf n LYS 289 Cb 0.60 -1.50 0.02 0.00 -0.65 0.00 0.00 35.03 33.50 2waf n LYS 289 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2waf n TYR 290 N -1.12 0.00 0.00 5.58 4.01 -1.26 -5.02 117.16 119.35 2waf n TYR 290 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 2waf n TYR 290 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.05 2waf n TYR 290 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2waf n GLY 291 N 0.42 2.84 3.74 2.72 0.00 -0.84 -5.01 105.19 109.06 2waf n GLY 291 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 2waf n GLY 291 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2waf s ASN 292 N -1.67 6.41 0.44 1.61 2.20 -1.26 -4.80 114.94 117.87 2waf s ASN 292 Ca 0.00 2.90 -0.25 0.00 -0.94 0.00 0.00 52.86 54.57 2waf s ASN 292 Cb 0.00 -2.63 -0.08 0.00 -2.00 0.00 0.00 41.25 36.54 2waf s ASN 292 CO 0.00 -0.90 1.41 -0.32 -2.94 0.00 0.00 177.10 174.35 2waf s MET 293 N -0.22 3.74 -0.00 3.55 -2.45 -1.26 -3.88 119.30 118.78 2waf s MET 293 Ca 0.65 2.39 0.02 0.00 -1.25 0.00 0.00 55.69 57.49 2waf s MET 293 Cb -0.47 -2.68 -0.02 0.00 1.25 0.00 0.00 34.83 32.90 2waf s MET 293 CO 0.45 -0.76 0.04 0.39 1.05 0.00 0.00 175.02 176.19 2waf n GLU 294 N -0.12 1.10 0.00 4.11 -0.58 -1.13 -4.92 120.64 119.10 2waf n GLU 294 Ca 0.05 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 2waf n GLU 294 Cb 0.42 -0.96 0.00 0.00 -0.57 0.00 0.00 31.44 30.33 2waf n GLU 294 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2waf n SER 295 N -1.47 0.00 -4.95 1.62 2.88 -1.26 -4.73 113.62 105.71 2waf n SER 295 Ca -0.00 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.31 2waf n SER 295 Cb 0.04 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.53 2waf n SER 295 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2waf s VAL 296 N -1.20 3.29 -0.13 2.46 1.01 -1.26 -3.15 120.40 121.43 2waf s VAL 296 Ca 0.00 -0.46 -0.29 0.00 0.00 0.00 0.00 61.98 61.23 2waf s VAL 296 Cb 0.00 -3.25 0.08 0.00 0.00 0.00 0.00 36.38 33.21 2waf s VAL 296 CO 0.00 -0.20 0.77 -0.62 0.00 0.00 0.00 175.10 175.05 2waf s ASP 297 N -4.34 -0.61 -0.36 3.32 2.15 -1.21 -4.51 116.67 111.11 2waf s ASP 297 Ca 0.54 0.80 -0.11 0.00 0.43 0.00 0.00 52.55 54.21 2waf s ASP 297 Cb -0.10 0.69 0.01 0.00 -0.30 0.00 0.00 42.92 43.22 2waf s ASP 297 CO 0.40 -0.46 0.21 -0.89 -0.17 0.00 0.00 175.17 174.25 2waf s THR 298 N -0.79 4.73 -0.05 1.71 2.01 -1.26 -2.96 115.64 119.02 2waf s THR 298 Ca -0.06 -0.66 -0.26 0.00 0.31 0.00 0.00 61.69 61.01 2waf s THR 298 Cb -0.01 -3.56 -0.21 0.00 0.01 0.00 0.00 72.50 68.72 2waf s THR 298 CO 0.06 -0.14 1.12 0.40 -0.69 0.00 0.00 174.62 175.36 2waf h ILE 299 N 5.75 1.45 -2.46 1.82 2.04 -1.87 -3.47 117.51 120.78 2waf h ILE 299 Ca -0.28 -1.43 -0.07 0.00 1.00 0.00 0.00 64.86 64.08 2waf h ILE 299 Cb 1.12 2.40 -0.25 0.00 -0.74 0.00 0.00 36.82 39.35 2waf h ILE 299 CO 0.66 0.36 -0.24 -0.70 0.00 0.00 0.00 178.15 178.23 2waf s GLU 300 N -3.72 0.45 0.60 2.37 2.12 -1.24 -5.04 118.70 114.23 2waf s GLU 300 Ca -0.16 0.96 -0.16 0.00 0.36 0.00 0.00 54.97 55.97 2waf s GLU 300 Cb 0.00 0.13 -0.03 0.00 0.26 0.00 0.00 34.13 34.49 2waf s GLU 300 CO 0.66 -0.18 1.08 -1.21 -0.54 0.00 0.00 175.26 175.07 2waf s GLU 301 N 1.78 3.23 0.63 4.30 2.02 -1.26 -0.85 118.70 128.55 2waf s GLU 301 Ca -0.08 1.31 -0.14 0.00 0.02 0.00 0.00 54.97 56.08 2waf s GLU 301 Cb -0.09 -2.01 -0.02 0.00 0.10 0.00 0.00 34.13 32.11 2waf s GLU 301 CO -0.15 -0.90 1.06 0.20 0.02 0.00 0.00 175.26 175.49 2waf s GLY 302 N -2.56 1.95 0.00 -1.39 0.00 -1.26 -4.81 107.32 99.25 2waf s GLY 302 Ca 0.66 0.27 0.00 0.00 0.00 0.00 0.00 44.72 45.65 2waf s GLY 302 CO 0.36 0.59 0.00 -1.14 0.00 0.00 0.00 173.10 172.90 2waf n SER 303 N -2.43 0.52 -4.91 1.64 3.41 -1.16 -4.90 113.62 105.79 2waf n SER 303 Ca 0.08 -0.22 -0.23 0.00 -0.26 0.00 0.00 58.87 58.25 2waf n SER 303 Cb 0.53 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.47 2waf n SER 303 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2waf s LYS 304 N 1.50 2.39 0.85 4.33 2.20 -1.26 -2.61 119.74 127.13 2waf s LYS 304 Ca 0.00 -1.75 -0.11 0.00 -0.36 0.00 0.00 55.97 53.75 2waf s LYS 304 Cb 0.00 -2.30 0.14 0.00 -1.51 0.00 0.00 37.83 34.16 2waf s LYS 304 CO 0.00 -0.45 1.19 0.20 -0.36 0.00 0.00 175.35 175.93 2waf s GLY 305 N -4.26 1.73 0.66 5.54 0.00 -0.99 -4.24 107.32 105.76 2waf s GLY 305 Ca 0.45 -1.16 -0.11 0.00 0.00 0.00 0.00 44.72 43.90 2waf s GLY 305 CO 0.27 -0.53 1.05 -1.31 0.00 0.00 0.00 173.10 172.58 2waf s ASN 306 N -4.75 5.80 0.47 1.64 0.01 -1.12 -4.65 114.94 112.34 2waf s ASN 306 Ca 0.68 1.50 0.05 0.00 -0.71 0.00 0.00 52.86 54.38 2waf s ASN 306 Cb -0.06 -2.46 0.05 0.00 0.41 0.00 0.00 41.25 39.19 2waf s ASN 306 CO 0.49 -1.16 0.43 0.59 -1.51 0.00 0.00 177.10 175.95 2waf n ASN 307 N -2.94 2.31 -3.65 -1.22 5.03 0.13 -3.93 115.26 111.00 2waf n ASN 307 Ca 0.07 -2.53 -0.07 0.00 0.87 0.00 0.00 54.58 52.92 2waf n ASN 307 Cb 0.54 -0.12 -0.08 0.00 -1.02 0.00 0.00 39.78 39.10 2waf n ASN 307 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 2waf s ILE 308 N -2.25 -0.72 -0.14 2.41 2.07 -0.90 -2.00 121.20 119.67 2waf s ILE 308 Ca 0.33 0.13 -0.03 0.00 -1.41 0.00 0.00 60.65 59.66 2waf s ILE 308 Cb -0.03 -0.74 -0.03 0.00 0.13 0.00 0.00 42.46 41.80 2waf s ILE 308 CO 0.21 0.05 -0.03 -0.75 -1.91 0.00 0.00 174.94 172.52 2waf s LYS 309 N 2.67 3.53 0.52 3.50 2.20 -0.20 -0.25 119.74 131.72 2waf s LYS 309 Ca -0.02 -0.49 -0.06 0.00 -0.36 0.00 0.00 55.97 55.04 2waf s LYS 309 Cb -0.12 -2.90 -0.03 0.00 -1.51 0.00 0.00 37.83 33.27 2waf s LYS 309 CO -0.14 0.35 0.84 -0.51 -0.36 0.00 0.00 175.35 175.53 2waf s LEU 310 N 0.09 3.52 0.33 5.43 1.43 0.89 0.81 118.68 131.17 2waf s LEU 310 Ca 0.00 1.00 0.25 0.00 -1.03 0.00 0.00 54.13 54.35 2waf s LEU 310 Cb -0.13 -3.96 0.68 0.00 0.03 0.00 0.00 46.19 42.81 2waf s LEU 310 CO 0.02 -0.68 1.72 0.71 0.23 0.00 0.00 176.35 178.36 2waf h THR 311 N 0.08 0.00 -3.15 5.49 1.35 -0.58 -3.17 112.91 112.93 2waf h THR 311 Ca -0.46 -0.66 -0.60 0.00 -0.55 0.00 0.00 66.41 64.13 2waf h THR 311 Cb 1.21 1.64 -0.08 0.00 -1.73 0.00 0.00 68.15 69.19 2waf h THR 311 CO 0.62 0.00 -0.27 -0.63 -0.25 0.00 0.00 175.52 174.99 2waf s ILE 312 N -3.20 5.22 -0.26 6.82 1.01 -1.24 -4.70 121.20 124.86 2waf s ILE 312 Ca 0.08 0.68 -0.10 0.00 0.00 0.00 0.00 60.65 61.31 2waf s ILE 312 Cb 0.09 -3.67 -0.05 0.00 0.01 0.00 0.00 42.46 38.84 2waf s ILE 312 CO 0.61 0.46 0.17 -0.62 0.00 0.00 0.00 174.94 175.55 2waf s ASP 313 N -0.12 6.02 0.00 3.58 -1.08 -1.26 0.20 116.67 124.00 2waf s ASP 313 Ca 0.20 0.05 0.00 0.00 -0.52 0.00 0.00 52.55 52.28 2waf s ASP 313 Cb -0.14 -2.10 0.00 0.00 -1.46 0.00 0.00 42.92 39.22 2waf s ASP 313 CO 0.08 0.02 0.95 -0.11 0.52 0.00 0.00 175.17 176.63 2waf n LEU 314 N 4.62 0.00 -0.31 -1.34 7.94 -1.26 -1.76 117.00 124.89 2waf n LEU 314 Ca -0.15 0.95 0.26 0.00 -1.11 0.00 0.00 56.01 55.97 2waf n LEU 314 Cb 0.52 -0.45 0.49 0.00 0.53 0.00 0.00 43.42 44.51 2waf n LEU 314 CO 0.34 -0.45 0.94 0.00 -1.11 0.00 0.00 177.39 177.10 2waf n ALA 315 N -2.61 0.86 -0.03 1.96 0.00 -1.26 0.68 120.51 120.11 2waf n ALA 315 Ca 0.00 0.97 -0.13 0.00 0.00 0.00 0.00 53.44 54.27 2waf n ALA 315 Cb 0.00 -0.91 -0.10 0.00 0.00 0.00 0.00 19.45 18.44 2waf n ALA 315 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2waf h PHE 316 N 0.00 0.08 -0.81 0.00 3.57 -1.82 -0.29 116.94 117.66 2waf h PHE 316 Ca 0.75 -0.03 0.09 0.00 3.53 0.00 0.00 57.97 62.30 2waf h PHE 316 Cb 1.90 -0.01 -0.07 0.00 2.79 0.00 0.00 35.95 40.55 2waf h PHE 316 CO -0.11 0.66 0.47 0.37 -2.23 0.00 0.00 178.31 177.47 2waf h GLN 317 N -0.53 0.77 -0.22 1.11 5.75 0.26 0.12 115.11 122.37 2waf h GLN 317 Ca -0.00 -0.05 0.02 0.00 -0.15 0.00 0.00 58.65 58.47 2waf h GLN 317 Cb 0.66 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 29.02 2waf h GLN 317 CO 0.01 0.51 0.09 -0.44 -2.65 0.00 0.00 178.83 176.35 2waf h ASP 318 N 0.79 0.11 0.72 -0.69 3.32 0.34 -2.45 116.42 118.57 2waf h ASP 318 Ca 0.39 0.02 -0.13 0.00 0.02 0.00 0.00 57.03 57.32 2waf h ASP 318 Cb 0.34 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 2waf h ASP 318 CO -0.24 0.10 -0.63 0.77 -1.72 0.00 0.00 179.24 177.52 2waf h SER 319 N 0.20 0.00 -0.06 6.45 4.64 -0.50 -1.63 113.55 122.65 2waf h SER 319 Ca 0.09 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.43 2waf h SER 319 Cb 0.05 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.14 2waf h SER 319 CO -0.09 0.63 0.04 0.58 -0.87 0.00 0.00 176.83 177.13 2waf h VAL 320 N 0.00 0.90 0.17 0.95 2.07 -0.43 -2.70 116.25 117.20 2waf h VAL 320 Ca -0.01 0.00 -0.27 0.00 0.82 0.00 0.00 66.70 67.24 2waf h VAL 320 Cb 1.16 0.97 0.03 0.00 -1.52 0.00 0.00 31.29 31.93 2waf h VAL 320 CO 0.08 0.00 -1.16 0.44 0.02 0.00 0.00 177.57 176.95 2waf h ASP 321 N 0.00 0.73 -0.57 0.57 3.45 -0.84 -1.47 116.42 118.30 2waf h ASP 321 Ca 0.03 -0.89 -0.01 0.00 0.43 0.00 0.00 57.03 56.59 2waf h ASP 321 Cb 0.11 -0.24 -0.03 0.00 -0.56 0.00 0.00 39.33 38.62 2waf h ASP 321 CO -0.00 1.56 0.31 0.00 -1.57 0.00 0.00 179.24 179.54 2waf h ALA 322 N 0.18 0.73 -0.78 3.45 0.00 -1.53 0.10 119.26 121.42 2waf h ALA 322 Ca -0.19 -0.10 0.18 0.00 0.00 0.00 0.00 54.91 54.79 2waf h ALA 322 Cb 1.89 -0.23 -0.14 0.00 0.00 0.00 0.00 17.79 19.31 2waf h ALA 322 CO 0.22 0.26 -0.02 1.25 0.00 0.00 0.00 179.25 180.95 2waf h LEU 323 N 0.77 -0.42 -0.43 0.00 5.85 -1.23 1.48 115.31 121.33 2waf h LEU 323 Ca 0.20 0.21 -0.00 0.00 0.84 0.00 0.00 57.88 59.13 2waf h LEU 323 Cb 0.06 0.38 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 2waf h LEU 323 CO -0.03 -0.21 0.26 -0.07 -0.34 0.00 0.00 178.44 178.05 2waf h LEU 324 N 0.08 0.52 0.13 2.25 4.07 -0.49 -1.53 115.31 120.34 2waf h LEU 324 Ca 0.42 -0.06 0.00 0.00 0.08 0.00 0.00 57.88 58.33 2waf h LEU 324 Cb 0.74 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.34 2waf h LEU 324 CO -0.71 0.43 -0.12 0.50 -1.08 0.00 0.00 178.44 177.46 2waf h LYS 325 N 0.57 -0.26 -0.36 1.13 3.64 0.25 0.16 116.57 121.70 2waf h LYS 325 Ca 0.16 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.62 2waf h LYS 325 Cb 0.00 0.06 -0.09 0.00 -0.41 0.00 0.00 32.23 31.79 2waf h LYS 325 CO -0.03 -0.17 -0.40 1.03 -2.27 0.00 0.00 179.45 177.60 2waf h SER 326 N -0.27 -1.33 -0.62 4.20 0.87 0.18 0.29 113.55 116.86 2waf h SER 326 Ca 0.00 0.21 -0.07 0.00 -1.23 0.00 0.00 61.79 60.69 2waf h SER 326 Cb 0.25 0.58 -0.03 0.00 -0.44 0.00 0.00 62.40 62.77 2waf h SER 326 CO -0.03 -0.37 0.12 1.88 -0.53 0.00 0.00 176.83 177.90 2waf h TYR 327 N -0.33 1.10 0.18 2.24 0.05 -1.01 -2.10 116.97 117.10 2waf h TYR 327 Ca 0.14 -0.14 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 2waf h TYR 327 Cb 0.58 -0.31 0.00 0.00 1.01 0.00 0.00 36.73 38.01 2waf h TYR 327 CO -0.58 0.92 -0.09 0.35 -1.05 0.00 0.00 178.16 177.71 2waf h PHE 328 N 0.98 -0.23 -1.06 4.88 3.57 0.06 -2.50 116.94 122.64 2waf h PHE 328 Ca 0.20 -0.01 0.28 0.00 3.53 0.00 0.00 57.97 61.98 2waf h PHE 328 Cb 0.41 0.07 -0.08 0.00 2.79 0.00 0.00 35.95 39.14 2waf h PHE 328 CO 0.03 0.10 0.70 -0.91 -2.23 0.00 0.00 178.31 176.01 2waf h ASN 329 N -0.58 0.33 -0.64 0.41 2.35 -0.40 0.27 115.58 117.33 2waf h ASN 329 Ca -0.02 0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 2waf h ASN 329 Cb 0.43 0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.78 2waf h ASN 329 CO 0.04 0.06 0.38 -1.28 -1.65 0.00 0.00 177.43 174.98 2waf h SER 330 N 0.29 0.78 1.59 5.81 0.87 -0.96 0.38 113.55 122.32 2waf h SER 330 Ca 0.58 -0.07 -0.08 0.00 -1.23 0.00 0.00 61.79 60.99 2waf h SER 330 Cb 1.68 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 63.43 2waf h SER 330 CO -0.23 0.62 -0.41 -0.33 -0.53 0.00 0.00 176.83 175.95 2waf h GLU 331 N 0.87 0.00 0.03 2.24 4.39 -0.24 -1.29 114.58 120.58 2waf h GLU 331 Ca 0.23 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.71 2waf h GLU 331 Cb -0.01 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 2waf h GLU 331 CO -0.04 0.36 -1.02 1.25 -1.16 0.00 0.00 179.01 178.41 2waf h LEU 332 N 0.00 0.12 0.35 1.33 5.85 -0.35 0.40 115.31 123.01 2waf h LEU 332 Ca -0.01 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 2waf h LEU 332 Cb 1.29 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.29 2waf h LEU 332 CO 0.05 1.06 -0.17 -0.08 -0.34 0.00 0.00 178.44 178.96 2waf h GLU 333 N 0.03 -0.45 0.00 1.25 4.22 -0.01 -3.21 114.58 116.41 2waf h GLU 333 Ca -0.04 0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.43 2waf h GLU 333 Cb 1.75 0.10 0.00 0.00 0.50 0.00 0.00 28.75 31.10 2waf h GLU 333 CO 0.14 -0.30 0.00 0.27 -2.18 0.00 0.00 179.01 176.95 2waf n ASN 334 N -4.24 0.00 0.00 1.04 0.23 -0.51 -4.85 115.26 106.93 2waf n ASN 334 Ca -0.06 -1.38 0.00 0.00 -0.53 0.00 0.00 54.58 52.61 2waf n ASN 334 Cb 0.18 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.88 2waf n ASN 334 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2waf n GLY 335 N 0.51 0.73 0.28 4.83 0.00 -0.82 -4.92 105.19 105.80 2waf n GLY 335 Ca 0.08 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.25 2waf n GLY 335 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2waf h GLY 336 N 0.00 0.00 -2.01 -0.02 0.00 -0.62 -3.22 103.07 97.21 2waf h GLY 336 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2waf h GLY 336 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 2waf n ALA 337 N -2.28 2.45 -0.32 3.60 0.00 0.08 0.10 120.51 124.14 2waf n ALA 337 Ca -0.02 -0.78 0.11 0.00 0.00 0.00 0.00 53.44 52.74 2waf n ALA 337 Cb 0.16 -0.81 0.24 0.00 0.00 0.00 0.00 19.45 19.04 2waf n ALA 337 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2waf h LYS 338 N 4.54 0.05 -0.54 0.00 3.64 -1.80 0.21 116.57 122.66 2waf h LYS 338 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2waf h LYS 338 Cb 0.98 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 2waf h LYS 338 CO 0.00 0.03 0.00 0.66 -2.27 0.00 0.00 179.45 177.87 2waf n TYR 339 N -5.45 0.71 -2.90 1.91 4.01 -1.26 -4.95 117.16 109.24 2waf n TYR 339 Ca 0.20 -0.36 -0.40 0.00 -0.16 0.00 0.00 57.90 57.18 2waf n TYR 339 Cb 0.65 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.63 2waf n TYR 339 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2waf s SER 340 N -1.27 7.33 0.15 7.72 0.15 0.06 -4.76 113.70 123.08 2waf s SER 340 Ca 0.43 1.59 0.07 0.00 0.70 0.00 0.00 55.95 58.74 2waf s SER 340 Cb 0.24 -2.51 -0.08 0.00 -1.71 0.00 0.00 66.02 61.96 2waf s SER 340 CO 0.33 0.01 1.35 -0.33 1.20 0.00 0.00 173.24 175.80 2waf h GLU 341 N 5.48 0.03 0.00 5.44 3.07 -1.82 -3.44 114.58 123.34 2waf h GLU 341 Ca -0.44 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.37 2waf h GLU 341 Cb 1.21 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.13 2waf h GLU 341 CO 0.71 0.93 0.00 0.41 -1.40 0.00 0.00 179.01 179.66 2waf n GLY 342 N 1.09 -0.54 3.27 -3.84 0.00 -1.26 0.47 105.19 104.38 2waf n GLY 342 Ca -0.01 -0.70 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 2waf n GLY 342 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2waf s VAL 343 N -3.99 -0.01 0.07 1.61 0.11 -0.84 -3.96 120.40 113.39 2waf s VAL 343 Ca 0.00 0.02 0.05 0.00 -2.93 0.00 0.00 61.98 59.12 2waf s VAL 343 Cb 0.00 -0.55 -0.03 0.00 -1.53 0.00 0.00 36.38 34.27 2waf s VAL 343 CO 0.00 0.01 -0.14 -0.31 -3.33 0.00 0.00 175.10 171.33 2waf s TYR 344 N 0.44 1.21 -0.18 1.54 2.02 -0.28 -0.39 117.35 121.73 2waf s TYR 344 Ca -0.02 -0.44 -0.10 0.00 -0.37 0.00 0.00 57.07 56.14 2waf s TYR 344 Cb -0.04 -0.69 0.06 0.00 -0.40 0.00 0.00 41.96 40.89 2waf s TYR 344 CO -0.02 0.05 0.43 0.00 -1.57 0.00 0.00 175.55 174.44 2waf s ALA 345 N -1.21 -1.10 -0.00 3.71 0.00 -0.71 -0.83 121.76 121.61 2waf s ALA 345 Ca -0.02 1.56 0.03 0.00 0.00 0.00 0.00 51.96 53.54 2waf s ALA 345 Cb -0.10 -0.95 -0.01 0.00 0.00 0.00 0.00 23.12 22.07 2waf s ALA 345 CO 0.02 -0.27 -0.09 0.54 0.00 0.00 0.00 175.76 175.96 2waf s VAL 346 N 1.34 0.70 0.09 0.00 0.11 -0.82 -0.67 120.40 121.15 2waf s VAL 346 Ca -0.09 -0.41 0.08 0.00 -2.93 0.00 0.00 61.98 58.63 2waf s VAL 346 Cb -0.08 -0.59 -0.03 0.00 -1.53 0.00 0.00 36.38 34.14 2waf s VAL 346 CO -0.12 0.17 -0.22 0.00 -3.33 0.00 0.00 175.10 171.60 2waf s ALA 347 N -0.26 1.87 0.13 1.54 0.00 0.07 -2.16 121.76 122.96 2waf s ALA 347 Ca 0.03 -1.22 -0.01 0.00 0.00 0.00 0.00 51.96 50.76 2waf s ALA 347 Cb -0.04 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 2waf s ALA 347 CO -0.00 0.40 0.05 -0.51 0.00 0.00 0.00 175.76 175.69 2waf s LEU 348 N -1.69 1.84 -0.32 0.00 1.43 0.18 -1.67 118.68 118.45 2waf s LEU 348 Ca 0.08 -1.20 -0.18 0.00 -1.03 0.00 0.00 54.13 51.80 2waf s LEU 348 Cb -0.10 0.25 -0.01 0.00 0.03 0.00 0.00 46.19 46.36 2waf s LEU 348 CO 0.04 -0.70 0.53 0.21 0.23 0.00 0.00 176.35 176.65 2waf s ASN 349 N -3.06 6.36 0.35 2.29 3.84 0.13 -1.62 114.94 123.22 2waf s ASN 349 Ca 0.24 0.15 0.08 0.00 0.21 0.00 0.00 52.86 53.54 2waf s ASN 349 Cb 0.07 -2.28 0.64 0.00 -0.55 0.00 0.00 41.25 39.13 2waf s ASN 349 CO 0.02 -0.44 1.82 1.55 -2.79 0.00 0.00 177.10 177.26 2waf h PRO 350 N 8.34 0.23 0.07 0.43 0.13 -1.87 0.69 132.00 140.02 2waf h PRO 350 Ca -0.28 -0.08 -0.27 0.00 -0.87 0.00 0.00 66.00 64.50 2waf h PRO 350 Cb 1.13 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 2waf h PRO 350 CO 0.76 0.48 -1.34 0.87 -0.23 0.00 0.00 178.00 178.54 2waf h LYS 351 N 0.21 0.14 0.00 0.86 1.57 -1.88 -3.39 116.57 114.08 2waf h LYS 351 Ca 0.03 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 2waf h LYS 351 Cb 0.57 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.97 2waf h LYS 351 CO 0.04 1.01 -0.94 0.25 -0.57 0.00 0.00 179.45 179.24 2waf n THR 352 N -3.38 0.00 -0.99 -0.16 -2.24 -1.20 -5.00 114.28 101.33 2waf n THR 352 Ca -0.10 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 2waf n THR 352 Cb 1.01 0.61 0.00 0.00 -2.10 0.00 0.00 70.33 69.85 2waf n THR 352 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2waf n GLY 353 N 1.67 0.44 3.78 3.38 0.00 0.24 -4.50 105.19 110.20 2waf n GLY 353 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2waf n GLY 353 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2waf s ALA 354 N -1.97 2.95 -0.11 4.61 0.00 -1.22 -1.19 121.76 124.83 2waf s ALA 354 Ca 0.00 0.81 -0.17 0.00 0.00 0.00 0.00 51.96 52.59 2waf s ALA 354 Cb 0.00 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 2waf s ALA 354 CO 0.00 -0.50 0.45 0.08 0.00 0.00 0.00 175.76 175.79 2waf s VAL 355 N -1.67 5.19 -0.17 0.00 1.01 -1.02 0.21 120.40 123.95 2waf s VAL 355 Ca 0.64 0.90 -0.12 0.00 0.00 0.00 0.00 61.98 63.39 2waf s VAL 355 Cb -0.24 -3.79 -0.22 0.00 0.00 0.00 0.00 36.38 32.13 2waf s VAL 355 CO 0.29 0.35 0.24 0.18 0.00 0.00 0.00 175.10 176.17 2waf n LEU 356 N 3.50 2.32 -3.57 3.92 4.77 -0.67 -3.65 117.00 123.63 2waf n LEU 356 Ca -0.08 0.28 -0.13 0.00 -0.03 0.00 0.00 56.01 56.05 2waf n LEU 356 Cb 0.52 -1.04 -0.06 0.00 -2.33 0.00 0.00 43.42 40.51 2waf n LEU 356 CO 0.42 0.62 0.62 -0.94 -1.33 0.00 0.00 177.39 176.78 2waf s SER 357 N -6.97 -0.52 -0.21 -1.43 1.04 -1.22 -4.24 113.70 100.15 2waf s SER 357 Ca -0.26 0.66 0.00 0.00 0.48 0.00 0.00 55.95 56.83 2waf s SER 357 Cb 0.07 0.55 0.05 0.00 0.10 0.00 0.00 66.02 66.79 2waf s SER 357 CO 0.68 -0.41 -0.06 -0.04 0.98 0.00 0.00 173.24 174.38 2waf s MET 358 N -0.86 1.68 0.27 4.02 1.00 -1.26 -0.75 119.30 123.40 2waf s MET 358 Ca -0.04 -0.87 0.08 0.00 0.00 0.00 0.00 55.69 54.86 2waf s MET 358 Cb -0.01 -2.45 -0.05 0.00 0.00 0.00 0.00 34.83 32.32 2waf s MET 358 CO 0.04 -0.53 -0.12 -1.12 0.00 0.00 0.00 175.02 173.29 2waf s SER 359 N 1.44 2.98 -0.12 3.03 0.01 0.16 -4.75 113.70 116.46 2waf s SER 359 Ca -0.04 -1.11 -0.33 0.00 1.31 0.00 0.00 55.95 55.78 2waf s SER 359 Cb -0.18 -0.21 0.13 0.00 0.21 0.00 0.00 66.02 65.97 2waf s SER 359 CO -0.07 -0.20 1.15 -0.83 0.41 0.00 0.00 173.24 173.70 2waf s GLY 360 N -3.44 -0.34 -0.22 3.44 0.00 -0.98 -1.75 107.32 104.04 2waf s GLY 360 Ca 0.28 1.32 -0.03 0.00 0.00 0.00 0.00 44.72 46.28 2waf s GLY 360 CO 0.12 0.42 0.27 -0.42 0.00 0.00 0.00 173.10 173.48 2waf s ILE 361 N -2.58 -0.40 0.46 0.90 -1.09 0.48 -2.25 121.20 116.73 2waf s ILE 361 Ca 0.09 -0.15 -0.21 0.00 -2.23 0.00 0.00 60.65 58.15 2waf s ILE 361 Cb -0.00 -0.75 -0.09 0.00 -1.58 0.00 0.00 42.46 40.04 2waf s ILE 361 CO -0.05 -0.22 1.01 -0.75 -1.23 0.00 0.00 174.94 173.70 2waf s LYS 362 N 2.38 3.95 -0.12 2.79 2.20 -0.26 -1.98 119.74 128.69 2waf s LYS 362 Ca 0.09 1.31 -0.04 0.00 -0.36 0.00 0.00 55.97 56.97 2waf s LYS 362 Cb -0.15 -2.16 0.05 0.00 -1.51 0.00 0.00 37.83 34.06 2waf s LYS 362 CO -0.16 -0.30 0.11 -1.58 -0.36 0.00 0.00 175.35 173.07 2waf s HIS 363 N -2.00 0.02 -0.30 4.03 5.65 0.18 -2.05 115.29 120.82 2waf s HIS 363 Ca 0.65 0.09 -0.29 0.00 0.25 0.00 0.00 55.06 55.76 2waf s HIS 363 Cb -0.15 -0.51 0.01 0.00 -1.18 0.00 0.00 32.58 30.76 2waf s HIS 363 CO 0.19 -0.39 1.12 0.34 -0.65 0.00 0.00 174.74 175.35 2waf s ASP 364 N 2.20 6.90 0.40 9.88 -1.08 -0.52 -4.63 116.67 129.83 2waf s ASP 364 Ca 0.04 1.14 0.29 0.00 -0.52 0.00 0.00 52.55 53.50 2waf s ASP 364 Cb -0.14 -2.54 1.21 0.00 -1.46 0.00 0.00 42.92 39.99 2waf s ASP 364 CO -0.07 -0.89 1.85 -0.07 0.52 0.00 0.00 175.17 176.51 2waf h LEU 365 N 10.14 0.00 0.00 -1.34 3.38 -1.89 -0.39 115.31 125.22 2waf h LEU 365 Ca -0.22 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 2waf h LEU 365 Cb 1.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 2waf h LEU 365 CO 1.03 0.00 -0.26 0.11 0.09 0.00 0.00 178.44 179.41 2waf h LYS 366 N 0.00 0.00 -0.02 1.13 1.57 -1.96 -3.35 116.57 113.94 2waf h LYS 366 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2waf h LYS 366 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 2waf h LYS 366 CO 0.00 0.91 -0.23 0.25 -0.57 0.00 0.00 179.45 179.81 2waf n THR 367 N -4.59 0.00 0.00 -0.16 -2.24 -1.24 -4.95 114.28 101.10 2waf n THR 367 Ca -0.14 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 2waf n THR 367 Cb 0.48 1.38 0.00 0.00 -2.10 0.00 0.00 70.33 70.09 2waf n THR 367 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2waf n GLY 368 N 1.37 2.35 3.71 3.38 0.00 -0.16 -4.97 105.19 110.87 2waf n GLY 368 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 2waf n GLY 368 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2waf s GLU 369 N 0.00 1.92 -0.16 1.61 2.12 -1.23 -4.61 118.70 118.34 2waf s GLU 369 Ca 0.00 1.87 -0.03 0.00 0.36 0.00 0.00 54.97 57.17 2waf s GLU 369 Cb 0.00 -1.79 -0.02 0.00 0.26 0.00 0.00 34.13 32.57 2waf s GLU 369 CO 0.00 -2.03 -0.06 -0.51 -0.54 0.00 0.00 175.26 172.12 2waf s LEU 370 N -5.27 3.08 0.02 2.70 1.43 -1.26 -1.44 118.68 117.94 2waf s LEU 370 Ca 0.77 -0.21 0.08 0.00 -1.03 0.00 0.00 54.13 53.73 2waf s LEU 370 Cb -0.32 -1.74 -0.02 0.00 0.03 0.00 0.00 46.19 44.14 2waf s LEU 370 CO 0.47 0.14 -0.22 0.42 0.23 0.00 0.00 176.35 177.38 2waf s THR 371 N 0.55 1.78 0.35 5.49 -4.23 -0.87 -5.03 115.64 113.68 2waf s THR 371 Ca -0.04 -1.15 -0.26 0.00 -1.18 0.00 0.00 61.69 59.06 2waf s THR 371 Cb -0.15 -1.52 -0.09 0.00 1.34 0.00 0.00 72.50 72.08 2waf s THR 371 CO 0.03 0.33 1.01 -2.16 -0.54 0.00 0.00 174.62 173.28 2waf s PRO 372 N -0.97 4.42 -0.25 3.99 0.04 -1.26 -1.10 135.00 139.86 2waf s PRO 372 Ca 0.09 1.46 -0.03 0.00 0.04 0.00 0.00 61.00 62.55 2waf s PRO 372 Cb -0.09 -2.74 0.14 0.00 0.04 0.00 0.00 34.50 31.85 2waf s PRO 372 CO 0.01 0.10 0.44 0.34 0.04 0.00 0.00 177.00 177.93 2waf s ASP 373 N -1.51 -0.22 -0.23 6.66 2.15 -0.95 -4.73 116.67 117.85 2waf s ASP 373 Ca 0.53 0.52 0.02 0.00 0.43 0.00 0.00 52.55 54.04 2waf s ASP 373 Cb -0.22 1.41 -0.15 0.00 -0.30 0.00 0.00 42.92 43.66 2waf s ASP 373 CO 0.27 -0.28 -0.19 -1.20 -0.17 0.00 0.00 175.17 173.60 2waf n SER 374 N 5.38 2.19 0.06 -0.34 7.64 -1.26 -2.32 113.62 124.98 2waf n SER 374 Ca -0.04 -0.12 0.21 0.00 1.01 0.00 0.00 58.87 59.93 2waf n SER 374 Cb 0.50 -0.32 0.73 0.00 -1.01 0.00 0.00 64.21 64.11 2waf n SER 374 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2waf h LEU 375 N 0.00 0.00 -1.66 -3.43 3.38 -1.94 -1.96 115.31 109.69 2waf h LEU 375 Ca -0.51 0.00 0.49 0.00 0.09 0.00 0.00 57.88 57.96 2waf h LEU 375 Cb 1.79 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 42.44 2waf h LEU 375 CO -0.08 0.00 1.08 1.23 0.09 0.00 0.00 178.44 180.76 2waf h GLY 376 N 0.00 0.75 1.92 0.83 0.00 -1.94 0.52 103.07 105.15 2waf h GLY 376 Ca 0.22 -0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.45 2waf h GLY 376 CO -0.00 -0.24 -0.14 -0.91 0.00 0.00 0.00 176.54 175.24 2waf h THR 377 N 0.03 1.14 -0.07 4.70 1.35 -1.64 -2.90 112.91 115.52 2waf h THR 377 Ca 0.86 -0.63 0.00 0.00 -0.55 0.00 0.00 66.41 66.10 2waf h THR 377 Cb 3.07 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 70.74 2waf h THR 377 CO -0.25 0.19 0.00 1.33 -0.25 0.00 0.00 175.52 176.54 2waf n VAL 378 N -4.32 0.26 0.00 6.82 0.24 0.18 -1.08 118.33 120.42 2waf n VAL 378 Ca -0.02 -0.63 0.00 0.00 -2.04 0.00 0.00 64.34 61.65 2waf n VAL 378 Cb 0.24 0.99 0.00 0.00 -1.47 0.00 0.00 33.84 33.60 2waf n VAL 378 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2waf n THR 379 N 0.36 0.00 -4.26 3.34 -2.24 -0.96 -2.32 114.28 108.20 2waf n THR 379 Ca 0.05 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.54 2waf n THR 379 Cb 0.24 -0.22 -0.10 0.00 -2.10 0.00 0.00 70.33 68.14 2waf n THR 379 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2waf s ASN 380 N -2.16 4.20 0.07 3.42 0.01 -1.10 -4.83 114.94 114.55 2waf s ASN 380 Ca 0.00 -0.48 0.07 0.00 -0.71 0.00 0.00 52.86 51.74 2waf s ASN 380 Cb 0.00 -0.72 -0.03 0.00 0.41 0.00 0.00 41.25 40.91 2waf s ASN 380 CO 0.00 0.16 -0.20 0.68 -1.51 0.00 0.00 177.10 176.23 2waf s VAL 381 N -1.29 1.63 0.08 1.60 -7.23 -1.26 -4.10 120.40 109.82 2waf s VAL 381 Ca 0.21 -1.36 0.01 0.00 -1.81 0.00 0.00 61.98 59.03 2waf s VAL 381 Cb -0.10 -1.46 -0.04 0.00 0.56 0.00 0.00 36.38 35.34 2waf s VAL 381 CO 0.13 0.05 -0.05 -0.36 -0.31 0.00 0.00 175.10 174.55 2waf s PHE 382 N -1.00 0.73 0.05 2.82 0.08 -0.20 -4.80 117.98 115.66 2waf s PHE 382 Ca 0.06 -0.95 -0.30 0.00 0.12 0.00 0.00 56.93 55.86 2waf s PHE 382 Cb -0.09 -0.46 -0.04 0.00 -0.57 0.00 0.00 43.02 41.85 2waf s PHE 382 CO 0.03 -0.23 1.05 0.14 -0.10 0.00 0.00 175.22 176.10 2waf s VAL 383 N -3.62 4.52 -0.03 -0.44 -7.23 -1.26 -1.25 120.40 111.09 2waf s VAL 383 Ca 0.09 1.87 0.12 0.00 -1.81 0.00 0.00 61.98 62.25 2waf s VAL 383 Cb 0.05 -4.20 -0.21 0.00 0.56 0.00 0.00 36.38 32.59 2waf s VAL 383 CO -0.06 0.18 0.81 1.55 -0.31 0.00 0.00 175.10 177.26 2waf h PRO 384 N 6.50 0.00 0.00 4.82 0.13 -1.77 -3.46 132.00 138.22 2waf h PRO 384 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2waf h PRO 384 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2waf h PRO 384 CO 0.76 0.55 0.00 0.41 -0.23 0.00 0.00 178.00 179.49 2waf n GLY 385 N 1.49 0.23 0.00 1.56 0.00 0.40 -4.05 105.19 104.82 2waf n GLY 385 Ca -0.13 -0.89 0.04 0.00 0.00 0.00 0.00 46.02 45.04 2waf n GLY 385 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2waf n SER 386 N -0.88 0.00 0.00 1.61 7.64 -1.24 -2.92 113.62 117.83 2waf n SER 386 Ca 0.00 0.21 0.10 0.00 1.01 0.00 0.00 58.87 60.19 2waf n SER 386 Cb 0.00 -0.30 0.59 0.00 -1.01 0.00 0.00 64.21 63.49 2waf n SER 386 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2waf n VAL 387 N -1.30 0.07 0.32 0.44 0.24 -1.24 -2.84 118.33 114.02 2waf n VAL 387 Ca 0.03 0.02 0.04 0.00 -2.04 0.00 0.00 64.34 62.39 2waf n VAL 387 Cb 0.06 -0.70 0.03 0.00 -1.47 0.00 0.00 33.84 31.76 2waf n VAL 387 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 2waf n VAL 388 N -1.05 0.00 -0.19 3.34 0.24 -1.15 -4.72 118.33 114.81 2waf n VAL 388 Ca 0.14 -0.49 0.25 0.00 -2.04 0.00 0.00 64.34 62.21 2waf n VAL 388 Cb 0.09 1.15 0.65 0.00 -1.47 0.00 0.00 33.84 34.26 2waf n VAL 388 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 2waf h LYS 389 N 1.40 0.13 0.70 7.34 6.56 -1.79 -2.34 116.57 128.56 2waf h LYS 389 Ca 0.00 -0.01 -0.03 0.00 -1.06 0.00 0.00 60.65 59.55 2waf h LYS 389 Cb 0.31 -0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 31.93 2waf h LYS 389 CO 0.00 0.08 -0.49 0.00 -2.06 0.00 0.00 179.45 176.98 2waf h ALA 390 N 1.58 -1.24 -0.49 3.86 0.00 -1.87 -0.72 119.26 120.39 2waf h ALA 390 Ca 0.43 -0.23 0.10 0.00 0.00 0.00 0.00 54.91 55.21 2waf h ALA 390 Cb 1.50 0.64 -0.09 0.00 0.00 0.00 0.00 17.79 19.84 2waf h ALA 390 CO -0.07 -1.21 -0.13 0.00 0.00 0.00 0.00 179.25 177.85 2waf n ALA 391 N -2.75 0.11 -0.05 0.00 0.00 -0.88 -0.24 120.51 116.70 2waf n ALA 391 Ca -0.14 0.54 -0.15 0.00 0.00 0.00 0.00 53.44 53.69 2waf n ALA 391 Cb 0.48 -0.32 -0.08 0.00 0.00 0.00 0.00 19.45 19.54 2waf n ALA 391 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2waf h THR 392 N 0.00 1.37 -0.57 0.00 2.02 -1.21 -0.44 112.91 114.07 2waf h THR 392 Ca 0.23 -1.62 -0.01 0.00 0.77 0.00 0.00 66.41 65.79 2waf h THR 392 Cb 0.35 2.05 -0.03 0.00 -1.74 0.00 0.00 68.15 68.78 2waf h THR 392 CO -0.50 0.48 0.33 0.40 0.37 0.00 0.00 175.52 176.60 2waf h ILE 393 N 0.08 1.17 0.00 3.11 2.04 0.11 -1.13 117.51 122.89 2waf h ILE 393 Ca -0.00 -0.39 -0.07 0.00 1.00 0.00 0.00 64.86 65.40 2waf h ILE 393 Cb 0.95 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 2waf h ILE 393 CO 0.07 0.18 -0.34 0.28 0.00 0.00 0.00 178.15 178.34 2waf h SER 394 N 0.78 0.00 0.71 1.72 0.02 -0.19 0.20 113.55 116.80 2waf h SER 394 Ca 0.20 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 61.02 2waf h SER 394 Cb -0.01 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 2waf h SER 394 CO -0.04 0.34 -0.65 -1.28 -1.14 0.00 0.00 176.83 174.07 2waf h SER 395 N 0.00 0.00 -0.04 3.07 0.87 -0.12 -2.66 113.55 114.67 2waf h SER 395 Ca -0.00 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.59 2waf h SER 395 Cb 0.83 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.75 2waf h SER 395 CO 0.04 0.65 -0.19 1.23 -0.53 0.00 0.00 176.83 178.03 2waf h GLY 396 N 2.07 -0.23 1.02 5.77 0.00 0.53 -2.32 103.07 109.91 2waf h GLY 396 Ca -0.01 0.23 -0.11 0.00 0.00 0.00 0.00 47.33 47.45 2waf h GLY 396 CO 0.08 -0.18 -0.17 1.49 0.00 0.00 0.00 176.54 177.77 2waf h TRP 397 N -0.29 0.95 -0.02 5.60 6.55 -1.21 0.10 115.95 127.64 2waf h TRP 397 Ca 0.07 -0.23 -0.00 0.00 0.95 0.00 0.00 58.89 59.68 2waf h TRP 397 Cb 0.39 -0.22 -0.00 0.00 -0.86 0.00 0.00 29.16 28.46 2waf h TRP 397 CO -0.26 0.99 0.01 0.93 -1.05 0.00 0.00 178.44 179.06 2waf h GLU 398 N 0.64 0.03 0.00 0.49 5.08 -1.44 -2.16 114.58 117.22 2waf h GLU 398 Ca 0.09 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2waf h GLU 398 Cb 0.72 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2waf h GLU 398 CO 0.05 0.14 0.00 0.09 -1.00 0.00 0.00 179.01 178.29 2waf n ASN 399 N -5.02 0.00 -3.51 1.42 3.02 -0.88 -4.91 115.26 105.38 2waf n ASN 399 Ca -0.07 -1.13 -0.22 0.00 -0.03 0.00 0.00 54.58 53.12 2waf n ASN 399 Cb 0.08 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.34 2waf n ASN 399 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2waf n GLY 400 N 0.65 -0.49 0.08 7.41 0.00 -0.58 -4.92 105.19 107.35 2waf n GLY 400 Ca 0.15 0.21 -0.05 0.00 0.00 0.00 0.00 46.02 46.34 2waf n GLY 400 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2waf n VAL 401 N -4.79 1.19 -4.21 1.61 0.31 0.26 -4.90 118.33 107.80 2waf n VAL 401 Ca -0.05 -0.76 -0.32 0.00 -0.01 0.00 0.00 64.34 63.20 2waf n VAL 401 Cb 0.58 -0.56 -0.08 0.00 -0.91 0.00 0.00 33.84 32.87 2waf n VAL 401 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2waf s LEU 402 N -5.53 3.59 -0.24 7.52 1.43 -1.18 -5.02 118.68 119.26 2waf s LEU 402 Ca -0.07 -0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.04 2waf s LEU 402 Cb 0.08 -2.13 0.06 0.00 0.03 0.00 0.00 46.19 44.23 2waf s LEU 402 CO 0.84 0.25 -0.10 -0.55 0.23 0.00 0.00 176.35 177.01 2waf s SER 403 N -1.78 4.14 0.88 2.29 0.15 -1.26 -4.50 113.70 113.61 2waf s SER 403 Ca 0.22 -1.26 0.00 0.00 0.70 0.00 0.00 55.95 55.61 2waf s SER 403 Cb -0.12 -1.44 0.00 0.00 -1.71 0.00 0.00 66.02 62.75 2waf s SER 403 CO 0.13 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.00 2waf n GLY 404 N 4.51 2.73 3.52 9.45 0.00 -1.26 -3.65 105.19 120.50 2waf n GLY 404 Ca -0.14 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 2waf n GLY 404 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2waf s ASN 405 N -4.00 6.58 0.32 1.61 2.47 -1.26 -4.96 114.94 115.69 2waf s ASN 405 Ca 0.00 -1.73 -0.28 0.00 0.42 0.00 0.00 52.86 51.26 2waf s ASN 405 Cb 0.00 -2.51 -0.10 0.00 -1.45 0.00 0.00 41.25 37.19 2waf s ASN 405 CO 0.00 -1.33 1.16 -1.58 -3.72 0.00 0.00 177.10 171.63 2waf s GLN 406 N 4.13 4.46 -0.25 0.43 2.00 -1.24 -4.62 119.66 124.57 2waf s GLN 406 Ca 0.42 1.90 -0.10 0.00 -2.00 0.00 0.00 55.36 55.58 2waf s GLN 406 Cb -0.01 -3.05 -0.05 0.00 0.80 0.00 0.00 33.01 30.70 2waf s GLN 406 CO -0.09 0.02 0.15 0.99 -0.50 0.00 0.00 175.29 175.86 2waf s THR 407 N -1.22 5.16 0.42 -0.34 2.01 -1.26 -1.74 115.64 118.67 2waf s THR 407 Ca 0.48 0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.59 2waf s THR 407 Cb -0.33 -3.42 0.00 0.00 0.01 0.00 0.00 72.50 68.76 2waf s THR 407 CO 0.43 0.32 0.01 0.18 -0.69 0.00 0.00 174.62 174.87 2waf n LEU 408 N 4.56 0.00 -4.24 4.42 4.77 -0.24 -4.89 117.00 121.38 2waf n LEU 408 Ca -0.15 -2.65 -0.34 0.00 -0.03 0.00 0.00 56.01 52.85 2waf n LEU 408 Cb 0.52 0.29 -0.15 0.00 -2.33 0.00 0.00 43.42 41.75 2waf n LEU 408 CO 0.34 -0.38 -0.47 -0.89 -1.33 0.00 0.00 177.39 174.66 2waf s THR 409 N -2.52 2.66 -0.28 -5.08 2.01 -1.26 0.11 115.64 111.28 2waf s THR 409 Ca 0.00 -0.75 -0.28 0.00 0.31 0.00 0.00 61.69 60.97 2waf s THR 409 Cb -0.00 -2.15 0.01 0.00 0.01 0.00 0.00 72.50 70.37 2waf s THR 409 CO 0.00 0.50 1.01 -0.62 -0.69 0.00 0.00 174.62 174.83 2waf s ASP 410 N 1.08 6.95 0.06 3.53 -1.08 0.68 -4.77 116.67 123.11 2waf s ASP 410 Ca -0.00 1.11 -0.20 0.00 -0.52 0.00 0.00 52.55 52.94 2waf s ASP 410 Cb -0.14 -2.52 0.04 0.00 -1.46 0.00 0.00 42.92 38.84 2waf s ASP 410 CO -0.04 -0.75 0.47 0.00 0.52 0.00 0.00 175.17 175.37 2waf s GLN 411 N 3.36 1.00 0.25 4.34 -2.07 -1.26 -0.99 119.66 124.29 2waf s GLN 411 Ca 0.43 -0.34 -0.30 0.00 -1.82 0.00 0.00 55.36 53.33 2waf s GLN 411 Cb -0.14 0.45 -0.10 0.00 -1.09 0.00 0.00 33.01 32.14 2waf s GLN 411 CO 0.11 -0.36 1.42 -1.12 -1.32 0.00 0.00 175.29 174.02 2waf s SER 412 N -2.10 6.67 -0.30 12.60 0.01 -1.26 -4.87 113.70 124.45 2waf s SER 412 Ca -0.04 2.66 -0.12 0.00 1.31 0.00 0.00 55.95 59.76 2waf s SER 412 Cb -0.00 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.56 2waf s SER 412 CO -0.03 -0.68 0.23 -0.63 0.41 0.00 0.00 173.24 172.53 2waf s ILE 413 N -0.10 5.29 -0.09 1.44 -1.09 0.26 -4.86 121.20 122.05 2waf s ILE 413 Ca 0.58 0.05 0.01 0.00 -2.23 0.00 0.00 60.65 59.07 2waf s ILE 413 Cb -0.41 -3.62 0.02 0.00 -1.58 0.00 0.00 42.46 36.86 2waf s ILE 413 CO 0.44 0.14 -0.12 -0.69 -1.23 0.00 0.00 174.94 173.48 2waf s VAL 414 N 1.78 1.21 0.24 2.92 1.01 -1.26 0.29 120.40 126.58 2waf s VAL 414 Ca 0.07 -0.47 0.07 0.00 0.00 0.00 0.00 61.98 61.66 2waf s VAL 414 Cb -0.16 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 2waf s VAL 414 CO 0.11 0.38 0.15 -0.36 0.00 0.00 0.00 175.10 175.38 2waf s PHE 415 N 1.07 3.05 -0.35 5.22 0.08 -1.26 -2.03 117.98 123.76 2waf s PHE 415 Ca -0.06 -0.11 -0.32 0.00 0.12 0.00 0.00 56.93 56.56 2waf s PHE 415 Cb -0.15 -1.39 -0.14 0.00 -0.57 0.00 0.00 43.02 40.78 2waf s PHE 415 CO -0.02 0.53 1.26 1.04 -0.10 0.00 0.00 175.22 177.94 2waf n GLN 416 N -0.97 0.00 -4.08 0.44 1.13 -1.21 -2.02 117.38 110.67 2waf n GLN 416 Ca -0.08 0.00 -0.35 0.00 -1.94 0.00 0.00 57.00 54.63 2waf n GLN 416 Cb 0.57 -1.04 -0.03 0.00 0.11 0.00 0.00 30.24 29.85 2waf n GLN 416 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2waf n GLY 417 N 3.72 -0.49 3.39 1.08 0.00 -1.26 -4.96 105.19 106.67 2waf n GLY 417 Ca 0.28 0.26 -0.13 0.00 0.00 0.00 0.00 46.02 46.43 2waf n GLY 417 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2waf s SER 418 N -3.98 -0.45 0.27 1.61 1.04 -0.85 -5.15 113.70 106.19 2waf s SER 418 Ca 0.23 0.05 -0.29 0.00 0.48 0.00 0.00 55.95 56.42 2waf s SER 418 Cb -0.11 0.53 -0.14 0.00 0.10 0.00 0.00 66.02 66.39 2waf s SER 418 CO 0.95 -0.82 1.08 0.00 0.98 0.00 0.00 173.24 175.43 2waf n ALA 419 N 0.06 -0.12 -1.10 5.32 0.00 -1.26 -4.35 120.51 119.06 2waf n ALA 419 Ca -0.17 0.40 -0.34 0.00 0.00 0.00 0.00 53.44 53.32 2waf n ALA 419 Cb 0.62 -2.05 0.11 0.00 0.00 0.00 0.00 19.45 18.12 2waf n ALA 419 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2waf n PRO 420 N 0.97 0.13 -4.19 0.00 -0.02 -1.26 -4.63 135.00 126.00 2waf n PRO 420 Ca 0.10 0.10 -0.33 0.00 -2.02 0.00 0.00 63.50 61.36 2waf n PRO 420 Cb 0.31 -2.10 -0.16 0.00 -0.02 0.00 0.00 33.50 31.53 2waf n PRO 420 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2waf s ILE 421 N -2.10 2.14 0.10 4.25 1.01 0.84 -4.93 121.20 122.52 2waf s ILE 421 Ca 0.67 -0.92 0.02 0.00 0.00 0.00 0.00 60.65 60.42 2waf s ILE 421 Cb -0.30 -1.90 -0.04 0.00 0.01 0.00 0.00 42.46 40.24 2waf s ILE 421 CO 0.57 0.53 -0.06 0.20 0.00 0.00 0.00 174.94 176.19 2waf s ASN 422 N 1.23 1.11 0.36 3.58 0.02 -1.26 0.90 114.94 120.88 2waf s ASN 422 Ca 0.03 -1.03 0.02 0.00 -1.02 0.00 0.00 52.86 50.86 2waf s ASN 422 Cb -0.13 0.10 -0.02 0.00 0.02 0.00 0.00 41.25 41.22 2waf s ASN 422 CO -0.11 -0.48 0.56 -0.44 0.02 0.00 0.00 177.10 176.64 2waf s SER 423 N -3.05 6.13 0.19 -1.22 0.01 -1.26 -4.84 113.70 109.65 2waf s SER 423 Ca 0.13 0.29 -0.14 0.00 1.31 0.00 0.00 55.95 57.54 2waf s SER 423 Cb 0.05 -1.78 0.18 0.00 0.21 0.00 0.00 66.02 64.68 2waf s SER 423 CO -0.04 -0.41 1.68 4.11 0.41 0.00 0.00 173.24 178.99 2waf h TRP 424 N 0.71 -0.06 0.00 2.43 5.08 -1.92 0.13 115.95 122.31 2waf h TRP 424 Ca -0.48 0.04 0.00 0.00 1.08 0.00 0.00 58.89 59.52 2waf h TRP 424 Cb 1.23 0.10 0.00 0.00 -3.00 0.00 0.00 29.16 27.50 2waf h TRP 424 CO 0.48 -0.13 0.00 2.48 -1.28 0.00 0.00 178.44 179.99 2waf n TYR 425 N -5.25 0.77 -0.17 0.12 4.11 -1.26 -4.55 117.16 110.94 2waf n TYR 425 Ca 0.05 0.24 0.06 0.00 -0.00 0.00 0.00 57.90 58.25 2waf n TYR 425 Cb 0.26 -0.89 0.35 0.00 -0.00 0.00 0.00 39.34 39.07 2waf n TYR 425 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2waf h THR 426 N 0.00 1.05 0.00 -3.48 1.03 -1.31 -1.96 112.91 108.23 2waf h THR 426 Ca 0.00 -0.26 -0.05 0.00 -0.01 0.00 0.00 66.41 66.09 2waf h THR 426 Cb 0.62 0.22 -0.01 0.00 -1.07 0.00 0.00 68.15 67.91 2waf h THR 426 CO 0.00 0.14 -0.65 1.56 -0.01 0.00 0.00 175.52 176.55 2waf h GLN 427 N 0.76 0.00 0.03 0.00 4.20 -1.80 -3.24 115.11 115.05 2waf h GLN 427 Ca 0.29 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.73 2waf h GLN 427 Cb 0.19 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.94 2waf h GLN 427 CO -0.09 0.15 -1.44 0.00 -0.67 0.00 0.00 178.83 176.78 2waf h ALA 428 N 1.80 0.53 -0.22 3.87 0.00 -1.70 -3.34 119.26 120.20 2waf h ALA 428 Ca -0.03 -1.21 0.00 0.00 0.00 0.00 0.00 54.91 53.67 2waf h ALA 428 Cb 1.18 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.20 2waf h ALA 428 CO 0.02 1.38 0.00 0.66 0.00 0.00 0.00 179.25 181.31 2waf n TYR 429 N -3.24 0.39 -0.01 0.00 4.01 -0.85 -5.05 117.16 112.41 2waf n TYR 429 Ca -0.11 -0.17 0.00 0.00 -0.16 0.00 0.00 57.90 57.45 2waf n TYR 429 Cb 1.01 -0.05 0.00 0.00 -0.31 0.00 0.00 39.34 39.99 2waf n TYR 429 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2waf n GLY 430 N 0.73 0.63 3.91 2.72 0.00 -1.22 -4.66 105.19 107.30 2waf n GLY 430 Ca 0.08 -0.78 -0.30 0.00 0.00 0.00 0.00 46.02 45.03 2waf n GLY 430 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2waf s SER 431 N -4.00 6.43 -0.26 1.61 0.01 -1.24 -4.69 113.70 111.55 2waf s SER 431 Ca 0.00 0.47 -0.38 0.00 1.31 0.00 0.00 55.95 57.35 2waf s SER 431 Cb 0.00 -2.04 0.15 0.00 0.21 0.00 0.00 66.02 64.34 2waf s SER 431 CO 0.00 0.02 1.33 0.72 0.41 0.00 0.00 173.24 175.72 2waf s PHE 432 N -1.74 -0.05 0.67 2.43 -0.71 -0.16 -4.91 117.98 113.50 2waf s PHE 432 Ca 0.39 0.03 -0.08 0.00 -1.04 0.00 0.00 56.93 56.23 2waf s PHE 432 Cb -0.12 0.51 0.03 0.00 -1.21 0.00 0.00 43.02 42.23 2waf s PHE 432 CO 0.27 -0.08 1.00 -1.25 -1.34 0.00 0.00 175.22 173.82 2waf s PRO 433 N -2.16 2.59 -0.30 1.99 0.04 -1.26 0.25 135.00 136.15 2waf s PRO 433 Ca 0.11 0.01 -0.16 0.00 0.04 0.00 0.00 61.00 61.00 2waf s PRO 433 Cb -0.01 -2.17 0.19 0.00 0.04 0.00 0.00 34.50 32.55 2waf s PRO 433 CO -0.03 -1.01 1.16 -1.50 0.04 0.00 0.00 177.00 175.65 2waf s ILE 434 N -3.19 0.00 0.42 0.56 2.07 0.12 -4.77 121.20 116.40 2waf s ILE 434 Ca 0.57 0.00 -0.07 0.00 -1.41 0.00 0.00 60.65 59.74 2waf s ILE 434 Cb -0.11 -1.00 -0.05 0.00 0.13 0.00 0.00 42.46 41.43 2waf s ILE 434 CO 0.47 0.00 0.74 0.42 -1.91 0.00 0.00 174.94 174.66 2waf s THR 435 N 1.13 4.88 0.25 4.00 -4.23 -1.26 -1.07 115.64 119.33 2waf s THR 435 Ca -0.08 0.33 -0.04 0.00 -1.18 0.00 0.00 61.69 60.73 2waf s THR 435 Cb -0.03 -3.79 0.22 0.00 1.34 0.00 0.00 72.50 70.24 2waf s THR 435 CO -0.12 -0.64 1.81 0.00 -0.54 0.00 0.00 174.62 175.13 2waf h ALA 436 N 0.86 1.20 -0.30 3.99 0.00 -1.59 1.37 119.26 124.78 2waf h ALA 436 Ca -0.47 0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.53 2waf h ALA 436 Cb 1.20 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 2waf h ALA 436 CO 0.63 0.09 -0.01 0.28 0.00 0.00 0.00 179.25 180.24 2waf h VAL 437 N 0.78 0.78 -0.69 0.00 2.07 -1.88 -0.82 116.25 116.50 2waf h VAL 437 Ca 0.41 -0.03 -0.05 0.00 0.82 0.00 0.00 66.70 67.85 2waf h VAL 437 Cb 0.40 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 2waf h VAL 437 CO -0.26 0.01 0.23 1.56 0.02 0.00 0.00 177.57 179.13 2waf h GLN 438 N 0.08 1.04 -0.31 1.57 4.20 -1.08 -2.02 115.11 118.58 2waf h GLN 438 Ca 0.14 -0.20 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 2waf h GLN 438 Cb 0.19 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 2waf h GLN 438 CO -0.24 0.88 0.15 0.00 -0.67 0.00 0.00 178.83 178.95 2waf h ALA 439 N 1.24 1.68 -0.04 3.87 0.00 0.30 0.30 119.26 126.60 2waf h ALA 439 Ca 0.23 -0.07 -0.22 0.00 0.00 0.00 0.00 54.91 54.85 2waf h ALA 439 Cb 0.26 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 17.94 2waf h ALA 439 CO -0.01 0.26 -0.82 -0.07 0.00 0.00 0.00 179.25 178.61 2waf h LEU 440 N 0.43 0.80 -0.15 0.00 3.38 -1.00 -1.57 115.31 117.20 2waf h LEU 440 Ca 0.11 -0.71 0.04 0.00 0.09 0.00 0.00 57.88 57.41 2waf h LEU 440 Cb 0.05 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 2waf h LEU 440 CO -0.02 1.39 -0.11 -0.08 0.09 0.00 0.00 178.44 179.72 2waf h GLU 441 N 0.27 -0.12 -0.05 1.13 4.81 0.19 -2.23 114.58 118.59 2waf h GLU 441 Ca -0.09 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 2waf h GLU 441 Cb 1.48 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.89 2waf h GLU 441 CO 0.16 -0.08 0.00 0.66 -0.73 0.00 0.00 179.01 179.03 2waf n TYR 442 N -5.26 0.05 -3.46 0.92 4.01 0.33 -2.59 117.16 111.14 2waf n TYR 442 Ca -0.03 -0.02 -0.18 0.00 -0.16 0.00 0.00 57.90 57.51 2waf n TYR 442 Cb 0.18 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.28 2waf n TYR 442 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2waf n SER 443 N 0.46 -3.09 -4.65 7.72 2.88 -0.70 -4.89 113.62 111.34 2waf n SER 443 Ca 0.18 -0.71 -0.43 0.00 -1.33 0.00 0.00 58.87 56.58 2waf n SER 443 Cb 0.41 -4.81 -0.02 0.00 -0.75 0.00 0.00 64.21 59.03 2waf n SER 443 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2waf s SER 444 N -4.09 6.77 0.06 -3.46 0.15 -0.67 -4.78 113.70 107.68 2waf s SER 444 Ca 0.13 1.80 -0.15 0.00 0.70 0.00 0.00 55.95 58.43 2waf s SER 444 Cb -0.02 -2.54 -0.25 0.00 -1.71 0.00 0.00 66.02 61.50 2waf s SER 444 CO 0.76 -0.90 1.15 0.78 1.20 0.00 0.00 173.24 176.23 2waf h ASN 445 N 8.98 0.84 -0.31 5.45 2.35 -1.90 -3.21 115.58 127.78 2waf h ASN 445 Ca -0.31 -0.77 0.06 0.00 -0.55 0.00 0.00 56.30 54.74 2waf h ASN 445 Cb 1.13 -0.26 -0.08 0.00 0.05 0.00 0.00 38.32 39.16 2waf h ASN 445 CO 0.97 1.51 -0.39 0.74 -1.65 0.00 0.00 177.43 178.62 2waf h THR 446 N 0.28 0.17 -0.80 2.81 2.02 -1.89 0.37 112.91 115.87 2waf h THR 446 Ca -0.14 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.19 2waf h THR 446 Cb 1.69 0.17 -0.10 0.00 -1.74 0.00 0.00 68.15 68.18 2waf h THR 446 CO 0.20 0.00 0.36 0.22 0.37 0.00 0.00 175.52 176.67 2waf h TYR 447 N -0.35 0.62 0.00 3.16 3.20 -1.90 0.71 116.97 122.40 2waf h TYR 447 Ca 0.13 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 62.00 2waf h TYR 447 Cb 0.58 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.69 2waf h TYR 447 CO -0.54 0.10 -0.15 0.52 -1.64 0.00 0.00 178.16 176.44 2waf h MET 448 N 0.51 0.00 0.01 1.82 2.86 -0.51 -0.93 114.93 118.69 2waf h MET 448 Ca 0.44 0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 57.74 2waf h MET 448 Cb 0.67 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.27 2waf h MET 448 CO -0.40 0.15 -2.14 0.28 1.06 0.00 0.00 176.91 175.87 2waf n VAL 449 N -3.60 1.49 -0.01 -2.22 0.31 0.93 -2.45 118.33 112.79 2waf n VAL 449 Ca -0.01 -0.81 -0.01 0.00 -0.01 0.00 0.00 64.34 63.49 2waf n VAL 449 Cb 0.28 -0.79 0.26 0.00 -0.91 0.00 0.00 33.84 32.68 2waf n VAL 449 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 2waf h GLN 450 N 0.00 0.54 -0.06 5.55 4.20 0.38 -1.79 115.11 123.92 2waf h GLN 450 Ca -0.45 -0.14 -0.17 0.00 0.06 0.00 0.00 58.65 57.95 2waf h GLN 450 Cb 2.13 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 29.84 2waf h GLN 450 CO 0.04 0.62 -0.71 1.15 -0.67 0.00 0.00 178.83 179.26 2waf h THR 451 N 0.50 1.40 0.36 -0.54 2.02 -1.24 -2.11 112.91 113.30 2waf h THR 451 Ca 0.10 -2.17 -0.01 0.00 0.77 0.00 0.00 66.41 65.10 2waf h THR 451 Cb 0.43 2.13 -0.00 0.00 -1.74 0.00 0.00 68.15 68.97 2waf h THR 451 CO 0.02 0.64 -0.20 0.00 0.37 0.00 0.00 175.52 176.36 2waf h ALA 452 N 1.03 -0.51 -0.96 6.16 0.00 -1.14 -2.07 119.26 121.78 2waf h ALA 452 Ca -0.02 -0.10 0.25 0.00 0.00 0.00 0.00 54.91 55.03 2waf h ALA 452 Cb 1.27 0.23 -0.18 0.00 0.00 0.00 0.00 17.79 19.11 2waf h ALA 452 CO 0.12 -0.79 -0.01 1.25 0.00 0.00 0.00 179.25 179.81 2waf h LEU 453 N -0.52 -0.51 -0.24 0.00 5.85 -1.26 -0.69 115.31 117.94 2waf h LEU 453 Ca -0.04 0.27 0.06 0.00 0.84 0.00 0.00 57.88 59.00 2waf h LEU 453 Cb 0.41 0.48 -0.06 0.00 0.37 0.00 0.00 40.66 41.87 2waf h LEU 453 CO 0.06 -0.32 -0.13 1.23 -0.34 0.00 0.00 178.44 178.93 2waf h GLY 454 N 0.02 0.07 0.77 3.75 0.00 -0.67 -0.26 103.07 106.75 2waf h GLY 454 Ca 0.56 0.16 0.10 0.00 0.00 0.00 0.00 47.33 48.15 2waf h GLY 454 CO -0.90 -0.15 0.55 1.41 0.00 0.00 0.00 176.54 177.46 2waf h LEU 455 N -0.10 0.73 -0.09 3.11 3.38 -0.88 0.44 115.31 121.89 2waf h LEU 455 Ca 0.13 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2waf h LEU 455 Cb 0.30 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2waf h LEU 455 CO -0.31 0.43 0.00 0.80 0.09 0.00 0.00 178.44 179.45 2waf n MET 456 N -4.52 0.04 -0.20 1.13 1.56 -0.21 -4.82 117.12 110.10 2waf n MET 456 Ca 0.14 0.20 0.00 0.00 -0.27 0.00 0.00 57.70 57.77 2waf n MET 456 Cb 0.32 -1.57 0.00 0.00 2.15 0.00 0.00 33.22 34.12 2waf n MET 456 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2waf n GLY 457 N 0.53 0.82 3.62 -5.12 0.00 0.15 -4.78 105.19 100.41 2waf n GLY 457 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 2waf n GLY 457 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2waf s GLN 458 N -0.80 2.06 0.01 1.61 0.74 -1.09 -5.01 119.66 117.18 2waf s GLN 458 Ca 0.00 -1.72 0.06 0.00 0.05 0.00 0.00 55.36 53.75 2waf s GLN 458 Cb 0.00 -1.94 -0.02 0.00 1.10 0.00 0.00 33.01 32.16 2waf s GLN 458 CO 0.00 0.18 -0.18 0.99 -0.55 0.00 0.00 175.29 175.72 2waf s THR 459 N -2.50 1.45 0.14 -0.34 2.01 -1.26 -3.73 115.64 111.40 2waf s THR 459 Ca 0.34 -0.90 -0.31 0.00 0.31 0.00 0.00 61.69 61.13 2waf s THR 459 Cb -0.01 -1.23 -0.09 0.00 0.01 0.00 0.00 72.50 71.18 2waf s THR 459 CO 0.19 0.31 1.51 -0.47 -0.69 0.00 0.00 174.62 175.47 2waf s TYR 460 N -0.56 3.06 0.08 4.92 5.04 -1.26 -5.02 117.35 123.61 2waf s TYR 460 Ca 0.07 0.71 0.08 0.00 -2.44 0.00 0.00 57.07 55.48 2waf s TYR 460 Cb -0.07 -3.84 -0.03 0.00 0.35 0.00 0.00 41.96 38.36 2waf s TYR 460 CO 0.00 -3.09 -0.21 -0.65 -1.34 0.00 0.00 175.55 170.26 2waf s GLN 461 N 1.30 1.19 0.18 4.97 -1.52 -1.26 -5.11 119.66 119.42 2waf s GLN 461 Ca 0.68 -1.08 -0.33 0.00 -1.95 0.00 0.00 55.36 52.68 2waf s GLN 461 Cb -0.41 -1.40 -0.14 0.00 -0.22 0.00 0.00 33.01 30.84 2waf s GLN 461 CO 0.31 0.34 1.41 -2.30 -0.25 0.00 0.00 175.29 174.79 2waf n PRO 462 N 1.35 1.80 -1.15 2.91 -0.02 -1.26 -2.73 135.00 135.89 2waf n PRO 462 Ca -0.19 0.64 -0.05 0.00 -2.02 0.00 0.00 63.50 61.89 2waf n PRO 462 Cb 0.53 -2.31 -0.02 0.00 -0.02 0.00 0.00 33.50 31.69 2waf n PRO 462 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2waf n ASN 463 N 2.56 -3.54 -4.73 2.55 3.02 -0.86 -4.97 115.26 109.29 2waf n ASN 463 Ca 0.15 0.11 -0.41 0.00 -0.03 0.00 0.00 54.58 54.40 2waf n ASN 463 Cb 0.28 -1.48 -0.04 0.00 -0.61 0.00 0.00 39.78 37.93 2waf n ASN 463 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2waf s MET 464 N -2.43 4.53 0.22 3.52 0.23 -1.11 -3.86 119.30 120.41 2waf s MET 464 Ca 0.00 1.77 -0.30 0.00 -1.03 0.00 0.00 55.69 56.13 2waf s MET 464 Cb 0.00 -3.28 -0.09 0.00 -1.53 0.00 0.00 34.83 29.93 2waf s MET 464 CO 0.00 -0.04 1.24 -0.06 -2.03 0.00 0.00 175.02 174.13 2waf s PHE 465 N 0.07 3.34 -0.21 3.16 0.08 -1.26 -3.30 117.98 119.86 2waf s PHE 465 Ca 0.52 1.38 -0.04 0.00 0.12 0.00 0.00 56.93 58.91 2waf s PHE 465 Cb -0.30 -3.51 -0.01 0.00 -0.57 0.00 0.00 43.02 38.63 2waf s PHE 465 CO 0.34 -1.45 -0.04 0.08 -0.10 0.00 0.00 175.22 174.05 2waf s VAL 466 N -0.24 3.52 -0.13 -0.44 1.01 -1.26 -5.06 120.40 117.81 2waf s VAL 466 Ca 0.53 -0.45 -0.29 0.00 0.00 0.00 0.00 61.98 61.76 2waf s VAL 466 Cb -0.35 -2.59 -0.02 0.00 0.00 0.00 0.00 36.38 33.42 2waf s VAL 466 CO 0.39 0.43 1.18 -0.83 0.00 0.00 0.00 175.10 176.28 2waf s GLY 467 N 1.26 1.89 0.00 4.51 0.00 -1.26 -4.91 107.32 108.81 2waf s GLY 467 Ca 0.03 0.47 0.22 0.00 0.00 0.00 0.00 44.72 45.44 2waf s GLY 467 CO -0.01 2.29 1.61 -1.30 0.00 0.00 0.00 173.10 175.69 2waf n THR 468 N 5.00 0.15 -0.34 0.90 -2.24 -1.26 -4.29 114.28 112.19 2waf n THR 468 Ca 0.12 -0.28 0.21 0.00 -2.27 0.00 0.00 64.05 61.83 2waf n THR 468 Cb 0.46 0.27 0.44 0.00 -2.10 0.00 0.00 70.33 69.39 2waf n THR 468 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2waf h SER 469 N 1.85 0.59 -0.39 3.42 4.64 -1.99 0.22 113.55 121.89 2waf h SER 469 Ca 0.00 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2waf h SER 469 Cb 0.40 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 2waf h SER 469 CO 0.00 0.03 0.00 0.59 -0.87 0.00 0.00 176.83 176.58 2waf n ASN 470 N -4.88 2.27 0.17 4.97 3.02 -1.26 -4.48 115.26 115.06 2waf n ASN 470 Ca 0.28 -2.05 -0.07 0.00 -0.03 0.00 0.00 54.58 52.71 2waf n ASN 470 Cb 0.85 -0.30 -0.04 0.00 -0.61 0.00 0.00 39.78 39.69 2waf n ASN 470 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2waf h LEU 471 N 2.30 -0.41 -0.97 3.41 5.85 -0.87 0.50 115.31 125.12 2waf h LEU 471 Ca 0.00 0.01 0.25 0.00 0.84 0.00 0.00 57.88 58.99 2waf h LEU 471 Cb 0.61 0.11 -0.13 0.00 0.37 0.00 0.00 40.66 41.62 2waf h LEU 471 CO 0.03 -0.05 0.53 -0.33 -0.34 0.00 0.00 178.44 178.28 2waf h GLU 472 N -0.96 0.47 -0.44 1.25 5.08 -1.79 0.51 114.58 118.70 2waf h GLU 472 Ca -0.05 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.14 2waf h GLU 472 Cb 0.37 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2waf h GLU 472 CO 0.08 0.31 -0.28 1.03 -1.00 0.00 0.00 179.01 179.15 2waf h SER 473 N 0.48 1.02 0.06 1.42 0.87 -1.83 -3.07 113.55 112.50 2waf h SER 473 Ca 0.64 -0.42 -0.00 0.00 -1.23 0.00 0.00 61.79 60.77 2waf h SER 473 Cb 1.27 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.94 2waf h SER 473 CO -0.52 1.22 -0.03 0.00 -0.53 0.00 0.00 176.83 176.97 2waf h ALA 474 N 0.83 -0.09 -0.91 6.23 0.00 0.23 -2.50 119.26 123.05 2waf h ALA 474 Ca 0.09 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.85 2waf h ALA 474 Cb 0.87 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 2waf h ALA 474 CO 0.08 -0.38 0.60 1.98 0.00 0.00 0.00 179.25 181.53 2waf h MET 475 N -0.43 1.16 -0.42 0.00 -1.53 -1.03 -0.94 114.93 111.74 2waf h MET 475 Ca -0.01 -0.07 -0.08 0.00 -3.44 0.00 0.00 59.70 56.11 2waf h MET 475 Cb 0.37 -0.26 -0.02 0.00 -0.55 0.00 0.00 31.60 31.14 2waf h MET 475 CO 0.01 0.77 -0.05 1.05 0.14 0.00 0.00 176.91 178.83 2waf h GLU 476 N 1.19 0.72 0.11 0.39 4.11 -1.46 0.73 114.58 120.36 2waf h GLU 476 Ca 0.35 -0.20 -0.01 0.00 0.07 0.00 0.00 59.36 59.57 2waf h GLU 476 Cb -0.07 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.11 2waf h GLU 476 CO -0.09 0.76 -0.05 0.87 0.07 0.00 0.00 179.01 180.57 2waf h LYS 477 N 0.66 -0.14 0.46 1.06 1.57 -0.72 0.29 116.57 119.76 2waf h LYS 477 Ca 0.13 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 2waf h LYS 477 Cb 0.48 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 2waf h LYS 477 CO 0.03 0.08 -0.40 1.25 -0.57 0.00 0.00 179.45 179.84 2waf h LEU 478 N -0.34 -1.07 -1.87 2.94 5.85 -1.43 -2.55 115.31 116.84 2waf h LEU 478 Ca -0.01 0.08 0.19 0.00 0.84 0.00 0.00 57.88 58.97 2waf h LEU 478 Cb 0.28 0.35 -0.04 0.00 0.37 0.00 0.00 40.66 41.63 2waf h LEU 478 CO 0.02 -0.57 0.50 0.03 -0.34 0.00 0.00 178.44 178.08 2waf h ARG 479 N -0.87 0.12 -0.38 1.25 3.08 -0.54 0.35 114.38 117.39 2waf h ARG 479 Ca -0.05 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 59.87 2waf h ARG 479 Cb 0.75 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 2waf h ARG 479 CO -0.03 0.08 -0.25 1.03 -1.07 0.00 0.00 179.97 179.73 2waf h SER 480 N 0.12 0.81 -0.09 7.04 0.87 -0.03 -2.01 113.55 120.25 2waf h SER 480 Ca 0.34 -0.30 -0.03 0.00 -1.23 0.00 0.00 61.79 60.57 2waf h SER 480 Cb 1.18 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.91 2waf h SER 480 CO -0.04 1.02 -0.05 0.74 -0.53 0.00 0.00 176.83 177.97 2waf h THR 481 N 0.68 1.33 -0.83 2.23 2.02 -0.06 -2.82 112.91 115.46 2waf h THR 481 Ca 0.09 -1.08 0.20 0.00 0.77 0.00 0.00 66.41 66.39 2waf h THR 481 Cb 0.77 1.85 -0.12 0.00 -1.74 0.00 0.00 68.15 68.91 2waf h THR 481 CO 0.06 0.30 0.26 -0.26 0.37 0.00 0.00 175.52 176.25 2waf h PHE 482 N -0.17 0.40 0.00 3.16 0.04 -1.22 0.31 116.94 119.46 2waf h PHE 482 Ca 0.02 0.04 -0.03 0.00 2.80 0.00 0.00 57.97 60.81 2waf h PHE 482 Cb 0.50 -0.05 -0.00 0.00 2.20 0.00 0.00 35.95 38.60 2waf h PHE 482 CO 0.07 -0.11 -0.12 0.78 -0.60 0.00 0.00 178.31 178.33 2waf h GLY 483 N 0.29 0.00 1.96 -1.45 0.00 -1.18 -1.10 103.07 101.59 2waf h GLY 483 Ca 0.50 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.74 2waf h GLY 483 CO -0.56 0.00 -0.38 0.83 0.00 0.00 0.00 176.54 176.43 2waf h GLU 484 N 0.00 0.05 0.00 4.80 5.08 -0.13 -2.90 114.58 121.49 2waf h GLU 484 Ca -0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2waf h GLU 484 Cb 0.30 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2waf h GLU 484 CO 0.02 0.42 -0.30 0.66 -1.00 0.00 0.00 179.01 178.81 2waf n TYR 485 N -4.08 0.51 0.00 4.33 4.01 -0.64 -4.78 117.16 116.51 2waf n TYR 485 Ca -0.02 0.15 0.00 0.00 -0.16 0.00 0.00 57.90 57.87 2waf n TYR 485 Cb 0.42 -0.67 0.00 0.00 -0.31 0.00 0.00 39.34 38.78 2waf n TYR 485 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2waf n GLY 486 N 1.38 0.82 3.60 2.72 0.00 -1.05 -2.86 105.19 109.81 2waf n GLY 486 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 2waf n GLY 486 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2waf s LEU 487 N 0.00 3.59 0.00 0.99 1.43 -0.51 -2.95 118.68 121.24 2waf s LEU 487 Ca 0.00 0.77 0.00 0.00 -1.03 0.00 0.00 54.13 53.87 2waf s LEU 487 Cb 0.00 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.68 2waf s LEU 487 CO 0.00 -1.41 0.00 0.61 0.23 0.00 0.00 176.35 175.78 2waf n GLY 488 N 5.04 1.19 3.71 -3.19 0.00 -1.26 -2.77 105.19 107.91 2waf n GLY 488 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 2waf n GLY 488 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2waf s THR 489 N -2.70 3.44 0.42 2.61 -1.32 -1.15 -4.77 115.64 112.17 2waf s THR 489 Ca 0.00 -1.74 -0.26 0.00 -1.21 0.00 0.00 61.69 58.48 2waf s THR 489 Cb 0.00 -2.99 -0.09 0.00 -1.51 0.00 0.00 72.50 67.91 2waf s THR 489 CO 0.00 -0.29 1.37 0.00 -2.21 0.00 0.00 174.62 173.48 2waf s ALA 490 N -2.33 3.28 0.12 11.08 0.00 -1.26 -4.85 121.76 127.79 2waf s ALA 490 Ca 0.34 1.35 -0.09 0.00 0.00 0.00 0.00 51.96 53.57 2waf s ALA 490 Cb -0.05 -3.54 -0.10 0.00 0.00 0.00 0.00 23.12 19.43 2waf s ALA 490 CO 0.22 -0.99 1.33 1.79 0.00 0.00 0.00 175.76 178.11 2waf h THR 491 N 2.44 1.32 0.00 0.00 1.35 -1.94 -3.47 112.91 112.60 2waf h THR 491 Ca -0.50 -2.12 0.00 0.00 -0.55 0.00 0.00 66.41 63.24 2waf h THR 491 Cb 1.25 2.13 0.00 0.00 -1.73 0.00 0.00 68.15 69.80 2waf h THR 491 CO 0.62 0.65 0.00 0.61 -0.25 0.00 0.00 175.52 177.15 2waf n GLY 492 N 0.75 0.72 3.76 5.82 0.00 -1.26 -4.43 105.19 110.55 2waf n GLY 492 Ca -0.07 -0.70 -0.33 0.00 0.00 0.00 0.00 46.02 44.92 2waf n GLY 492 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2waf s ILE 493 N -2.00 3.12 -0.94 -0.61 2.07 -1.26 -4.38 121.20 117.20 2waf s ILE 493 Ca 0.00 0.47 -0.07 0.00 -1.41 0.00 0.00 60.65 59.64 2waf s ILE 493 Cb 0.00 -2.97 -0.05 0.00 0.13 0.00 0.00 42.46 39.57 2waf s ILE 493 CO 0.00 -0.37 2.95 -0.90 -1.91 0.00 0.00 174.94 174.71 2waf n ASP 494 N -2.82 7.31 -4.02 4.50 5.68 -1.20 -4.87 116.55 121.13 2waf n ASP 494 Ca 0.10 -2.81 -0.09 0.00 -0.50 0.00 0.00 54.79 51.50 2waf n ASP 494 Cb 0.52 -1.42 -0.11 0.00 -1.14 0.00 0.00 41.12 38.98 2waf n ASP 494 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 2waf s LEU 495 N -0.89 2.31 0.27 -2.12 1.43 -1.26 -4.88 118.68 113.55 2waf s LEU 495 Ca 0.63 -0.64 -0.00 0.00 -1.03 0.00 0.00 54.13 53.09 2waf s LEU 495 Cb 0.25 0.11 0.61 0.00 0.03 0.00 0.00 46.19 47.19 2waf s LEU 495 CO -0.08 -0.37 1.69 1.55 0.23 0.00 0.00 176.35 179.37 2waf h PRO 496 N 4.24 0.34 -1.83 1.29 0.13 -1.89 -3.39 132.00 130.88 2waf h PRO 496 Ca -0.33 -0.02 -0.17 0.00 -0.87 0.00 0.00 66.00 64.61 2waf h PRO 496 Cb 1.19 -0.08 -0.29 0.00 0.13 0.00 0.00 31.00 31.95 2waf h PRO 496 CO 0.48 0.22 -0.50 0.34 -0.23 0.00 0.00 178.00 178.31 2waf s ASP 497 N -5.21 0.34 -0.04 1.44 2.15 -1.26 -5.11 116.67 108.97 2waf s ASP 497 Ca -0.12 -0.02 -0.19 0.00 0.43 0.00 0.00 52.55 52.65 2waf s ASP 497 Cb 0.23 1.10 -0.05 0.00 -0.30 0.00 0.00 42.92 43.90 2waf s ASP 497 CO 0.77 -0.32 0.53 -1.83 -0.17 0.00 0.00 175.17 174.15 2waf s GLU 498 N 2.54 4.27 0.39 4.34 -1.05 -1.26 -4.92 118.70 123.01 2waf s GLU 498 Ca 0.12 0.60 -0.27 0.00 -0.15 0.00 0.00 54.97 55.27 2waf s GLU 498 Cb -0.14 -3.36 -0.09 0.00 -0.44 0.00 0.00 34.13 30.10 2waf s GLU 498 CO -0.22 0.34 1.34 0.45 0.95 0.00 0.00 175.26 178.13 2waf s SER 499 N -0.04 6.34 -0.52 0.83 0.15 -0.98 -4.96 113.70 114.53 2waf s SER 499 Ca 0.28 2.75 0.02 0.00 0.70 0.00 0.00 55.95 59.70 2waf s SER 499 Cb -0.17 -2.65 0.46 0.00 -1.71 0.00 0.00 66.02 61.96 2waf s SER 499 CO 0.14 -0.84 1.72 0.35 1.20 0.00 0.00 173.24 175.81 2waf n THR 500 N 0.25 3.20 -0.76 6.45 -2.24 -1.26 -4.84 114.28 115.08 2waf n THR 500 Ca 0.03 -3.35 0.00 0.00 -2.27 0.00 0.00 64.05 58.46 2waf n THR 500 Cb 0.42 -1.10 0.00 0.00 -2.10 0.00 0.00 70.33 67.55 2waf n THR 500 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2waf n GLY 501 N -0.86 -2.77 2.53 3.38 0.00 -1.26 -4.51 105.19 101.70 2waf n GLY 501 Ca 0.55 -1.83 -0.27 0.00 0.00 0.00 0.00 46.02 44.47 2waf n GLY 501 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2waf n PHE 502 N -0.24 3.56 -3.18 1.61 7.35 0.15 -4.93 117.46 121.79 2waf n PHE 502 Ca 0.00 -4.20 -0.46 0.00 -0.76 0.00 0.00 57.45 52.04 2waf n PHE 502 Cb 0.00 -0.58 -0.03 0.00 0.35 0.00 0.00 39.48 39.23 2waf n PHE 502 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 2waf s VAL 503 N -2.24 5.21 0.55 -2.13 1.01 -1.26 -3.09 120.40 118.45 2waf s VAL 503 Ca 0.36 -1.93 -0.21 0.00 0.00 0.00 0.00 61.98 60.20 2waf s VAL 503 Cb 0.10 -4.56 -0.05 0.00 0.00 0.00 0.00 36.38 31.88 2waf s VAL 503 CO -0.05 -1.18 1.30 -2.84 0.00 0.00 0.00 175.10 172.34 2waf s PRO 504 N 1.37 3.13 -0.03 2.72 0.02 -1.26 -4.94 135.00 136.01 2waf s PRO 504 Ca 0.21 2.10 0.21 0.00 0.02 0.00 0.00 61.00 63.54 2waf s PRO 504 Cb -0.12 -2.19 -0.29 0.00 0.02 0.00 0.00 34.50 31.92 2waf s PRO 504 CO -0.06 -1.15 0.49 1.63 -0.33 0.00 0.00 177.00 177.57 2waf n LYS 505 N -1.13 0.66 -2.96 5.54 4.76 -1.26 -4.71 118.16 119.06 2waf n LYS 505 Ca 0.11 -0.14 -0.43 0.00 -2.87 0.00 0.00 58.31 54.98 2waf n LYS 505 Cb 0.46 -1.55 -0.05 0.00 -1.84 0.00 0.00 35.03 32.05 2waf n LYS 505 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2waf s GLU 506 N -3.36 3.29 -0.01 1.97 2.56 -1.26 -5.02 118.70 116.86 2waf s GLU 506 Ca -0.07 -0.40 -0.11 0.00 0.00 0.00 0.00 54.97 54.38 2waf s GLU 506 Cb 0.12 -4.04 0.01 0.00 2.00 0.00 0.00 34.13 32.23 2waf s GLU 506 CO 0.89 -1.32 0.23 1.52 -0.56 0.00 0.00 175.26 176.02 2waf s TYR 507 N 3.42 -0.10 0.27 5.30 1.13 -1.26 -5.17 117.35 120.94 2waf s TYR 507 Ca 0.26 0.14 0.04 0.00 -1.41 0.00 0.00 57.07 56.10 2waf s TYR 507 Cb -0.14 0.04 0.05 0.00 -1.10 0.00 0.00 41.96 40.80 2waf s TYR 507 CO 0.18 -0.32 0.37 -1.13 -2.51 0.00 0.00 175.55 172.14 2waf n SER 508 N 1.51 0.95 0.00 -0.18 3.41 -1.26 -4.98 113.62 113.07 2waf n SER 508 Ca -0.21 -1.70 -0.17 0.00 -0.26 0.00 0.00 58.87 56.53 2waf n SER 508 Cb 0.56 -0.20 -0.13 0.00 -0.26 0.00 0.00 64.21 64.18 2waf n SER 508 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 2waf h PHE 509 N 0.01 0.42 -0.72 7.33 3.57 -2.02 -2.26 116.94 123.27 2waf h PHE 509 Ca -0.13 -0.26 0.14 0.00 3.53 0.00 0.00 57.97 61.25 2waf h PHE 509 Cb 0.57 -0.03 -0.14 0.00 2.79 0.00 0.00 35.95 39.14 2waf h PHE 509 CO 0.00 1.14 -0.21 0.00 -2.23 0.00 0.00 178.31 177.00 2waf h ALA 510 N 0.18 0.40 -0.76 2.41 0.00 -2.00 0.13 119.26 119.62 2waf h ALA 510 Ca -0.08 0.27 0.17 0.00 0.00 0.00 0.00 54.91 55.27 2waf h ALA 510 Cb 1.32 0.60 -0.11 0.00 0.00 0.00 0.00 17.79 19.60 2waf h ALA 510 CO 0.10 -0.46 0.21 -0.91 0.00 0.00 0.00 179.25 178.19 2waf h ASN 511 N -0.03 0.06 0.39 0.00 2.35 -1.91 -0.87 115.58 115.58 2waf h ASN 511 Ca 0.34 0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 56.22 2waf h ASN 511 Cb 0.54 0.18 -0.02 0.00 0.05 0.00 0.00 38.32 39.08 2waf h ASN 511 CO -0.75 -0.03 -0.32 0.22 -1.65 0.00 0.00 177.43 174.90 2waf h TYR 512 N 0.29 -0.85 -0.34 1.19 3.20 -0.14 -1.46 116.97 118.86 2waf h TYR 512 Ca 0.44 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 62.21 2waf h TYR 512 Cb 0.75 0.32 -0.02 0.00 1.54 0.00 0.00 36.73 39.33 2waf h TYR 512 CO -0.24 -0.47 -0.17 0.82 -1.64 0.00 0.00 178.16 176.46 2waf h ILE 513 N -0.71 1.26 0.00 1.81 1.08 -0.78 -1.52 117.51 118.64 2waf h ILE 513 Ca -0.03 -1.19 -0.10 0.00 -0.39 0.00 0.00 64.86 63.15 2waf h ILE 513 Cb 0.62 1.18 -0.01 0.00 -3.07 0.00 0.00 36.82 35.54 2waf h ILE 513 CO -0.02 0.39 -0.45 0.71 -0.69 0.00 0.00 178.15 178.09 2waf h THR 514 N 0.56 1.15 0.00 -0.27 1.35 -1.14 -1.94 112.91 112.63 2waf h THR 514 Ca 0.09 -1.65 -0.01 0.00 -0.55 0.00 0.00 66.41 64.29 2waf h THR 514 Cb 0.61 1.94 -0.00 0.00 -1.73 0.00 0.00 68.15 68.97 2waf h THR 514 CO 0.04 0.45 -0.04 -1.13 -0.25 0.00 0.00 175.52 174.59 2waf h ASN 515 N 0.00 0.00 1.19 5.36 -1.24 -0.20 -1.98 115.58 118.70 2waf h ASN 515 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2waf h ASN 515 Cb 0.90 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.95 2waf h ASN 515 CO 0.06 0.04 0.00 0.00 -1.29 0.00 0.00 177.43 176.24 2waf h ALA 516 N 1.96 1.00 0.00 1.57 0.00 -1.09 -2.92 119.26 119.78 2waf h ALA 516 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2waf h ALA 516 Cb 0.29 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2waf h ALA 516 CO 0.01 0.00 -0.16 1.97 0.00 0.00 0.00 179.25 181.07 2waf n PHE 517 N -2.45 0.00 -2.42 0.00 -1.74 -0.91 -4.83 117.46 105.11 2waf n PHE 517 Ca 0.03 -0.86 -0.03 0.00 -0.56 0.00 0.00 57.45 56.03 2waf n PHE 517 Cb 0.35 -0.14 0.01 0.00 1.52 0.00 0.00 39.48 41.22 2waf n PHE 517 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2waf n GLY 518 N -1.11 0.46 0.55 4.97 0.00 -0.99 -3.76 105.19 105.31 2waf n GLY 518 Ca 0.13 -0.44 0.06 0.00 0.00 0.00 0.00 46.02 45.78 2waf n GLY 518 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2waf n GLN 519 N -1.43 0.93 0.00 1.61 1.13 -0.80 0.15 117.38 118.98 2waf n GLN 519 Ca -0.03 -2.42 0.00 0.00 -1.94 0.00 0.00 57.00 52.61 2waf n GLN 519 Cb 0.52 -1.11 0.00 0.00 0.11 0.00 0.00 30.24 29.77 2waf n GLN 519 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2waf n PHE 520 N -0.76 0.00 -1.65 1.08 7.35 -1.26 -4.77 117.46 117.46 2waf n PHE 520 Ca 0.12 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.39 2waf n PHE 520 Cb 0.75 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.59 2waf n PHE 520 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 2waf n ASP 521 N -0.51 1.86 -4.75 -2.13 8.00 -1.26 -4.88 116.55 112.88 2waf n ASP 521 Ca 0.00 1.10 -0.36 0.00 0.71 0.00 0.00 54.79 56.25 2waf n ASP 521 Cb 0.00 -1.41 -0.08 0.00 -0.02 0.00 0.00 41.12 39.61 2waf n ASP 521 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 2waf s ASN 522 N -0.59 5.63 0.11 -2.24 0.02 -1.18 -4.48 114.94 112.21 2waf s ASN 522 Ca 0.61 0.25 0.07 0.00 -1.02 0.00 0.00 52.86 52.77 2waf s ASN 522 Cb -0.57 -1.69 -0.04 0.00 0.02 0.00 0.00 41.25 38.98 2waf s ASN 522 CO 0.58 0.38 -0.18 -0.31 0.02 0.00 0.00 177.10 177.60 2waf s TYR 523 N -0.89 1.58 0.29 2.20 2.02 -0.38 0.35 117.35 122.53 2waf s TYR 523 Ca 0.13 -0.46 -0.20 0.00 -0.37 0.00 0.00 57.07 56.17 2waf s TYR 523 Cb -0.12 -0.85 -0.09 0.00 -0.40 0.00 0.00 41.96 40.50 2waf s TYR 523 CO 0.03 0.18 0.80 0.95 -1.57 0.00 0.00 175.55 175.94 2waf s THR 524 N -1.50 4.50 0.34 -0.71 -4.23 -1.26 -1.04 115.64 111.74 2waf s THR 524 Ca 0.06 1.34 0.07 0.00 -1.18 0.00 0.00 61.69 61.98 2waf s THR 524 Cb -0.08 -3.79 0.31 0.00 1.34 0.00 0.00 72.50 70.28 2waf s THR 524 CO 0.04 0.03 1.86 -0.65 -0.54 0.00 0.00 174.62 175.35 2waf h PRO 525 N 2.88 0.74 -0.75 3.99 0.11 -1.68 -0.79 132.00 136.49 2waf h PRO 525 Ca -0.48 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.55 2waf h PRO 525 Cb 1.19 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 32.10 2waf h PRO 525 CO 0.65 0.49 0.31 1.98 -0.21 0.00 0.00 178.00 181.22 2waf h MET 526 N 0.76 1.12 0.34 1.05 1.85 -1.47 -2.54 114.93 116.05 2waf h MET 526 Ca 0.47 -0.20 -0.00 0.00 -0.61 0.00 0.00 59.70 59.36 2waf h MET 526 Cb 0.68 -0.19 -0.02 0.00 0.43 0.00 0.00 31.60 32.50 2waf h MET 526 CO -0.23 0.90 -0.36 1.96 -0.40 0.00 0.00 176.91 178.78 2waf h GLN 527 N 1.08 -0.71 -0.89 0.39 4.20 -1.44 -2.84 115.11 114.91 2waf h GLN 527 Ca 0.25 0.05 0.13 0.00 0.06 0.00 0.00 58.65 59.14 2waf h GLN 527 Cb 0.19 0.16 -0.14 0.00 0.30 0.00 0.00 27.48 27.99 2waf h GLN 527 CO -0.02 -0.47 -0.42 -0.07 -0.67 0.00 0.00 178.83 177.18 2waf h LEU 528 N -0.73 -1.52 -0.14 1.46 3.38 -1.07 -1.20 115.31 115.50 2waf h LEU 528 Ca -0.02 0.29 0.05 0.00 0.09 0.00 0.00 57.88 58.29 2waf h LEU 528 Cb 0.67 0.75 -0.07 0.00 0.09 0.00 0.00 40.66 42.11 2waf h LEU 528 CO -0.08 -0.29 -0.39 0.00 0.09 0.00 0.00 178.44 177.77 2waf h ALA 529 N 1.09 -0.52 -0.94 1.53 0.00 -1.33 0.18 119.26 119.27 2waf h ALA 529 Ca 0.28 0.00 0.24 0.00 0.00 0.00 0.00 54.91 55.43 2waf h ALA 529 Cb 0.56 0.74 -0.13 0.00 0.00 0.00 0.00 17.79 18.96 2waf h ALA 529 CO -0.90 -0.88 0.47 0.37 0.00 0.00 0.00 179.25 178.31 2waf h GLN 530 N -0.46 0.43 -0.53 0.00 4.15 -1.02 0.16 115.11 117.85 2waf h GLN 530 Ca 0.08 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.46 2waf h GLN 530 Cb 0.60 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.17 2waf h GLN 530 CO -0.39 0.29 0.24 -0.92 -1.93 0.00 0.00 178.83 176.11 2waf h TYR 531 N 0.44 0.77 0.00 3.99 3.20 0.09 0.64 116.97 126.10 2waf h TYR 531 Ca 0.60 -0.05 -0.15 0.00 3.14 0.00 0.00 58.73 62.28 2waf h TYR 531 Cb 1.18 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 39.19 2waf h TYR 531 CO -0.09 0.62 -0.70 -0.24 -1.64 0.00 0.00 178.16 176.12 2waf h VAL 532 N 0.70 1.28 -0.45 1.81 3.04 -0.62 -3.04 116.25 118.98 2waf h VAL 532 Ca 0.18 -2.58 -0.08 0.00 -1.01 0.00 0.00 66.70 63.21 2waf h VAL 532 Cb 0.15 2.48 -0.02 0.00 -2.01 0.00 0.00 31.29 31.89 2waf h VAL 532 CO -0.02 0.68 -0.05 0.00 -1.01 0.00 0.00 177.57 177.17 2waf h ALA 533 N 1.30 1.06 -0.30 3.17 0.00 -0.45 -0.67 119.26 123.38 2waf h ALA 533 Ca -0.01 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 2waf h ALA 533 Cb 1.42 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2waf h ALA 533 CO 0.09 0.58 0.03 1.15 0.00 0.00 0.00 179.25 181.10 2waf h THR 534 N 0.71 1.24 -0.89 0.00 2.02 -0.80 -0.75 112.91 114.44 2waf h THR 534 Ca 0.13 -0.85 0.09 0.00 0.77 0.00 0.00 66.41 66.55 2waf h THR 534 Cb 0.51 1.21 -0.07 0.00 -1.74 0.00 0.00 68.15 68.06 2waf h THR 534 CO 0.03 0.28 0.54 0.40 0.37 0.00 0.00 175.52 177.14 2waf h ILE 535 N 0.32 0.97 0.00 3.11 2.04 -1.38 0.93 117.51 123.51 2waf h ILE 535 Ca 0.09 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.63 2waf h ILE 535 Cb 0.38 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.41 2waf h ILE 535 CO 0.01 0.17 0.00 0.00 0.00 0.00 0.00 178.15 178.33 2waf n ALA 536 N -2.36 1.97 0.85 1.87 0.00 -0.28 -2.34 120.51 120.21 2waf n ALA 536 Ca 0.15 -0.07 0.09 0.00 0.00 0.00 0.00 53.44 53.61 2waf n ALA 536 Cb 0.25 -1.34 -0.00 0.00 0.00 0.00 0.00 19.45 18.37 2waf n ALA 536 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2waf n ASN 537 N -1.48 1.85 -0.48 0.00 5.15 0.20 -4.78 115.26 115.72 2waf n ASN 537 Ca 0.05 -1.42 0.00 0.00 -0.60 0.00 0.00 54.58 52.61 2waf n ASN 537 Cb 0.24 0.46 0.00 0.00 -0.53 0.00 0.00 39.78 39.95 2waf n ASN 537 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2waf n ASN 538 N -0.04 -1.80 -0.41 1.20 3.02 -0.61 -4.10 115.26 112.52 2waf n ASN 538 Ca 0.08 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.58 2waf n ASN 538 Cb 0.41 -0.45 -0.02 0.00 -0.61 0.00 0.00 39.78 39.11 2waf n ASN 538 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2waf n GLY 539 N -0.48 0.63 3.16 7.41 0.00 -0.46 -4.88 105.19 110.58 2waf n GLY 539 Ca 0.00 -0.81 -0.35 0.00 0.00 0.00 0.00 46.02 44.86 2waf n GLY 539 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2waf s VAL 540 N -2.19 2.94 -0.29 1.61 1.01 -1.25 0.19 120.40 122.42 2waf s VAL 540 Ca 0.00 -1.46 -0.26 0.00 0.00 0.00 0.00 61.98 60.26 2waf s VAL 540 Cb 0.00 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.66 2waf s VAL 540 CO 0.00 -0.15 0.89 -0.60 0.00 0.00 0.00 175.10 175.24 2waf s ARG 541 N 1.23 4.06 -0.15 2.72 3.52 -0.02 -4.74 118.95 125.58 2waf s ARG 541 Ca -0.04 0.85 -0.07 0.00 -0.13 0.00 0.00 55.73 56.34 2waf s ARG 541 Cb -0.20 -3.70 -0.04 0.00 -1.56 0.00 0.00 34.95 29.45 2waf s ARG 541 CO -0.02 -0.69 0.09 0.54 -0.81 0.00 0.00 175.30 174.41 2waf s VAL 542 N 3.12 5.06 0.00 7.11 0.11 -1.26 0.78 120.40 135.32 2waf s VAL 542 Ca 0.37 0.05 -0.30 0.00 -2.93 0.00 0.00 61.98 59.17 2waf s VAL 542 Cb -0.14 -3.23 -0.07 0.00 -1.53 0.00 0.00 36.38 31.41 2waf s VAL 542 CO 0.11 0.54 1.70 0.00 -3.33 0.00 0.00 175.10 174.12 2waf s ALA 543 N -0.32 3.63 0.06 1.54 0.00 -0.82 -4.83 121.76 121.03 2waf s ALA 543 Ca 0.10 1.09 -0.31 0.00 0.00 0.00 0.00 51.96 52.84 2waf s ALA 543 Cb -0.12 -3.74 -0.07 0.00 0.00 0.00 0.00 23.12 19.20 2waf s ALA 543 CO 0.01 -1.31 1.35 -1.25 0.00 0.00 0.00 175.76 174.56 2waf s PRO 544 N 3.59 4.33 0.05 0.00 0.04 -1.26 -4.62 135.00 137.13 2waf s PRO 544 Ca 0.76 1.97 0.05 0.00 0.04 0.00 0.00 61.00 63.81 2waf s PRO 544 Cb -0.37 -3.38 -0.02 0.00 0.04 0.00 0.00 34.50 30.77 2waf s PRO 544 CO 0.32 -0.44 -0.13 -0.98 0.04 0.00 0.00 177.00 175.80 2waf s ARG 545 N 1.54 0.85 -0.02 4.56 1.70 -0.33 -3.27 118.95 123.98 2waf s ARG 545 Ca 0.63 -0.81 0.20 0.00 -0.47 0.00 0.00 55.73 55.28 2waf s ARG 545 Cb -0.33 -0.84 -0.24 0.00 -0.57 0.00 0.00 34.95 32.97 2waf s ARG 545 CO 0.29 0.20 0.53 -0.89 -1.08 0.00 0.00 175.30 174.35 2waf n ILE 546 N 1.68 0.58 -3.52 4.99 5.41 -1.26 -2.43 119.36 124.81 2waf n ILE 546 Ca -0.19 -0.61 -0.37 0.00 1.00 0.00 0.00 62.75 62.57 2waf n ILE 546 Cb 0.55 -0.27 -0.06 0.00 -0.71 0.00 0.00 39.64 39.15 2waf n ILE 546 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2waf s VAL 547 N -3.18 5.17 -0.22 1.39 1.01 -1.26 0.13 120.40 123.44 2waf s VAL 547 Ca -0.06 0.72 -0.17 0.00 0.00 0.00 0.00 61.98 62.46 2waf s VAL 547 Cb 0.11 -3.68 -0.14 0.00 0.00 0.00 0.00 36.38 32.67 2waf s VAL 547 CO 0.86 0.49 -0.04 1.21 0.00 0.00 0.00 175.10 177.63 2waf n GLU 548 N 2.58 0.55 -3.58 2.72 0.00 0.24 -4.70 120.64 118.45 2waf n GLU 548 Ca -0.13 0.46 -0.13 0.00 0.00 0.00 0.00 57.16 57.36 2waf n GLU 548 Cb 0.52 -1.65 -0.05 0.00 0.00 0.00 0.00 31.44 30.26 2waf n GLU 548 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 2waf s GLY 549 N -4.95 -0.41 -0.00 8.31 0.00 -1.10 -1.28 107.32 107.90 2waf s GLY 549 Ca -0.30 0.51 -0.16 0.00 0.00 0.00 0.00 44.72 44.77 2waf s GLY 549 CO 0.50 0.21 0.45 -0.42 0.00 0.00 0.00 173.10 173.84 2waf s ILE 550 N -2.63 4.99 0.01 0.90 1.09 -0.89 -1.03 121.20 123.65 2waf s ILE 550 Ca -0.04 0.93 0.03 0.00 -1.10 0.00 0.00 60.65 60.47 2waf s ILE 550 Cb -0.00 -3.77 -0.01 0.00 -1.06 0.00 0.00 42.46 37.62 2waf s ILE 550 CO -0.03 0.53 -0.10 -0.31 -0.10 0.00 0.00 174.94 174.93 2waf s TYR 551 N -0.81 0.92 0.00 3.97 2.02 -0.85 0.61 117.35 123.21 2waf s TYR 551 Ca 0.25 -0.24 0.00 0.00 -0.37 0.00 0.00 57.07 56.71 2waf s TYR 551 Cb -0.17 -0.57 0.00 0.00 -0.40 0.00 0.00 41.96 40.82 2waf s TYR 551 CO 0.14 -0.01 0.00 0.41 -1.57 0.00 0.00 175.55 174.52 2waf n GLY 552 N 2.46 -0.33 3.50 0.71 0.00 0.33 0.22 105.19 112.08 2waf n GLY 552 Ca -0.16 -1.46 -0.24 0.00 0.00 0.00 0.00 46.02 44.16 2waf n GLY 552 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2waf s ASN 553 N -1.17 3.78 0.52 1.61 0.02 -1.26 -0.47 114.94 117.96 2waf s ASN 553 Ca 0.00 -0.95 0.06 0.00 -1.02 0.00 0.00 52.86 50.95 2waf s ASN 553 Cb 0.00 -0.41 0.03 0.00 0.02 0.00 0.00 41.25 40.89 2waf s ASN 553 CO 0.00 0.03 0.42 0.54 0.02 0.00 0.00 177.10 178.12 2waf s ASN 554 N -3.52 4.71 0.44 -1.22 2.20 -0.72 -4.34 114.94 112.49 2waf s ASN 554 Ca 0.30 -1.15 0.12 0.00 -0.94 0.00 0.00 52.86 51.19 2waf s ASN 554 Cb -0.05 0.25 1.01 0.00 -2.00 0.00 0.00 41.25 40.45 2waf s ASN 554 CO 0.16 -1.04 2.04 0.44 -2.94 0.00 0.00 177.10 175.75 2waf h ASP 555 N 0.77 0.34 0.58 3.54 5.19 -1.97 0.90 116.42 125.78 2waf h ASP 555 Ca -0.37 -0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 55.87 2waf h ASP 555 Cb 1.29 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 40.71 2waf h ASP 555 CO 0.56 0.23 -0.76 0.50 -3.12 0.00 0.00 179.24 176.65 2waf h LYS 556 N 0.40 0.14 0.00 3.56 3.64 -2.00 -3.47 116.57 118.84 2waf h LYS 556 Ca 0.18 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2waf h LYS 556 Cb 0.23 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2waf h LYS 556 CO -0.04 0.84 0.00 0.41 -2.27 0.00 0.00 179.45 178.38 2waf n GLY 557 N 0.63 1.42 2.37 5.01 0.00 0.31 -5.13 105.19 109.80 2waf n GLY 557 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 2waf n GLY 557 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2waf n GLY 558 N -0.39 1.29 3.18 -0.02 0.00 -1.26 -4.73 105.19 103.26 2waf n GLY 558 Ca 0.00 -2.09 -0.53 0.00 0.00 0.00 0.00 46.02 43.40 2waf n GLY 558 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2waf n LEU 559 N 0.00 0.61 0.00 0.99 0.00 -1.26 -1.75 117.00 115.59 2waf n LEU 559 Ca 0.10 0.53 0.00 0.00 0.00 0.00 0.00 56.01 56.64 2waf n LEU 559 Cb 0.36 -0.87 0.00 0.00 0.00 0.00 0.00 43.42 42.91 2waf n LEU 559 CO 0.24 -0.73 0.00 0.61 0.00 0.00 0.00 177.39 177.51 2waf n GLY 560 N 6.95 1.49 2.64 -3.96 0.00 0.38 -4.47 105.19 108.21 2waf n GLY 560 Ca 0.55 -0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.50 2waf n GLY 560 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2waf n ASP 561 N 0.00 -1.49 -4.60 1.61 5.68 -1.25 -4.79 116.55 111.70 2waf n ASP 561 Ca 0.00 -2.20 -0.43 0.00 -0.50 0.00 0.00 54.79 51.66 2waf n ASP 561 Cb 0.00 2.53 -0.03 0.00 -1.14 0.00 0.00 41.12 42.48 2waf n ASP 561 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 2waf n LEU 562 N 0.00 3.33 -0.01 -2.12 7.94 -1.26 0.12 117.00 125.01 2waf n LEU 562 Ca -0.05 0.32 -0.10 0.00 -1.11 0.00 0.00 56.01 55.07 2waf n LEU 562 Cb 0.43 -1.54 -0.08 0.00 0.53 0.00 0.00 43.42 42.76 2waf n LEU 562 CO 0.20 -0.56 0.32 0.40 -1.11 0.00 0.00 177.39 176.64 2waf h ILE 563 N 6.92 0.99 -1.56 1.96 1.08 -0.15 -3.46 117.51 123.30 2waf h ILE 563 Ca -0.42 -1.48 0.11 0.00 -0.39 0.00 0.00 64.86 62.68 2waf h ILE 563 Cb 1.24 1.76 -0.25 0.00 -3.07 0.00 0.00 36.82 36.51 2waf h ILE 563 CO 0.96 0.30 0.29 -1.58 -0.69 0.00 0.00 178.15 177.42 2waf s GLN 564 N -2.71 0.43 0.03 2.37 0.74 -1.10 -5.01 119.66 114.40 2waf s GLN 564 Ca -0.12 0.79 -0.28 0.00 0.05 0.00 0.00 55.36 55.79 2waf s GLN 564 Cb -0.01 0.16 -0.04 0.00 1.10 0.00 0.00 33.01 34.23 2waf s GLN 564 CO 0.45 -0.10 0.91 -0.65 -0.55 0.00 0.00 175.29 175.35 2waf s GLN 565 N 1.59 4.57 -0.20 1.67 -0.21 -1.26 -2.09 119.66 123.73 2waf s GLN 565 Ca -0.08 1.31 -0.29 0.00 0.02 0.00 0.00 55.36 56.32 2waf s GLN 565 Cb -0.04 -3.42 -0.01 0.00 1.00 0.00 0.00 33.01 30.53 2waf s GLN 565 CO -0.16 0.08 1.32 -0.51 -2.12 0.00 0.00 175.29 173.90 2waf s LEU 566 N 0.58 4.09 0.12 2.90 1.43 -0.40 -4.99 118.68 122.40 2waf s LEU 566 Ca 0.47 1.59 -0.10 0.00 -1.03 0.00 0.00 54.13 55.06 2waf s LEU 566 Cb -0.21 -3.54 -0.06 0.00 0.03 0.00 0.00 46.19 42.41 2waf s LEU 566 CO 0.27 -0.89 0.45 -1.10 0.23 0.00 0.00 176.35 175.30 2waf s GLN 567 N 3.80 3.79 0.64 1.70 1.11 -1.26 -4.90 119.66 124.54 2waf s GLN 567 Ca 0.58 0.21 -0.17 0.00 0.01 0.00 0.00 55.36 55.99 2waf s GLN 567 Cb -0.21 -2.92 -0.04 0.00 -1.01 0.00 0.00 33.01 28.83 2waf s GLN 567 CO 0.19 0.50 0.80 -2.30 0.01 0.00 0.00 175.29 174.48 2waf n PRO 568 N 0.64 0.63 -4.27 2.91 -0.02 -1.26 -5.02 135.00 128.60 2waf n PRO 568 Ca -0.06 0.25 -0.25 0.00 -2.02 0.00 0.00 63.50 61.43 2waf n PRO 568 Cb 0.52 -2.02 -0.17 0.00 -0.02 0.00 0.00 33.50 31.81 2waf n PRO 568 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2waf s THR 569 N -1.68 0.98 0.01 3.45 -4.23 -1.26 -5.05 115.64 107.86 2waf s THR 569 Ca 0.73 -0.34 -0.30 0.00 -1.18 0.00 0.00 61.69 60.59 2waf s THR 569 Cb -0.39 -0.95 -0.03 0.00 1.34 0.00 0.00 72.50 72.46 2waf s THR 569 CO 0.51 0.34 1.00 -1.61 -0.54 0.00 0.00 174.62 174.32 2waf s GLU 570 N 1.09 4.55 -0.11 3.99 2.02 -1.26 -1.94 118.70 127.03 2waf s GLU 570 Ca -0.07 1.46 -0.00 0.00 0.02 0.00 0.00 54.97 56.38 2waf s GLU 570 Cb -0.14 -3.44 -0.25 0.00 0.10 0.00 0.00 34.13 30.40 2waf s GLU 570 CO -0.01 -0.06 0.39 -0.12 0.02 0.00 0.00 175.26 175.48 2waf n MET 571 N 3.84 0.72 0.00 1.61 1.56 0.23 -4.93 117.12 120.15 2waf n MET 571 Ca 0.06 0.25 0.00 0.00 -0.27 0.00 0.00 57.70 57.74 2waf n MET 571 Cb 0.50 -1.71 0.00 0.00 2.15 0.00 0.00 33.22 34.16 2waf n MET 571 CO 0.00 0.00 0.00 0.27 -0.73 0.00 0.00 175.97 175.51 2waf n ASN 572 N -3.32 0.00 -4.83 6.12 6.94 -1.24 -4.99 115.26 113.93 2waf n ASN 572 Ca -0.29 0.00 -0.37 0.00 -0.02 0.00 0.00 54.58 53.90 2waf n ASN 572 Cb 1.05 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 38.40 2waf n ASN 572 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 2waf s LYS 573 N -2.00 3.75 -0.29 -3.83 2.20 -1.26 -0.84 119.74 117.47 2waf s LYS 573 Ca 0.00 -0.00 -0.29 0.00 -0.36 0.00 0.00 55.97 55.32 2waf s LYS 573 Cb 0.00 -3.26 -0.01 0.00 -1.51 0.00 0.00 37.83 33.05 2waf s LYS 573 CO 0.00 0.62 1.56 0.08 -0.36 0.00 0.00 175.35 177.25 2waf s VAL 574 N -0.64 3.77 -0.77 4.02 1.01 0.50 -4.93 120.40 123.35 2waf s VAL 574 Ca 0.16 0.83 -0.26 0.00 0.00 0.00 0.00 61.98 62.71 2waf s VAL 574 Cb -0.13 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.39 2waf s VAL 574 CO 0.05 -0.44 1.60 0.54 0.00 0.00 0.00 175.10 176.85 2waf s ASN 575 N 4.31 5.77 0.15 3.32 6.03 -1.26 -4.85 114.94 128.40 2waf s ASN 575 Ca 0.69 -0.39 -0.11 0.00 -1.03 0.00 0.00 52.86 52.01 2waf s ASN 575 Cb -0.21 -2.55 0.00 0.00 -3.03 0.00 0.00 41.25 35.46 2waf s ASN 575 CO 0.30 -2.10 0.31 0.27 -2.03 0.00 0.00 177.10 173.85 2waf s ILE 576 N 7.37 0.08 1.06 0.54 -4.36 -1.26 -4.76 121.20 119.87 2waf s ILE 576 Ca 0.53 -1.15 -0.13 0.00 -0.26 0.00 0.00 60.65 59.63 2waf s ILE 576 Cb -0.08 -1.61 0.18 0.00 1.25 0.00 0.00 42.46 42.20 2waf s ILE 576 CO 0.10 -0.35 0.75 -1.20 0.24 0.00 0.00 174.94 174.48 2waf n SER 577 N -0.20 -1.39 -0.06 4.36 7.64 -1.26 -4.80 113.62 117.91 2waf n SER 577 Ca -0.10 0.07 -0.14 0.00 1.01 0.00 0.00 58.87 59.71 2waf n SER 577 Cb 0.63 -1.25 -0.02 0.00 -1.01 0.00 0.00 64.21 62.56 2waf n SER 577 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2waf h ASP 578 N -2.19 0.91 0.26 6.43 3.32 -1.98 -1.89 116.42 121.28 2waf h ASP 578 Ca -0.52 -0.50 -0.09 0.00 0.02 0.00 0.00 57.03 55.94 2waf h ASP 578 Cb 1.31 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 2waf h ASP 578 CO 0.42 1.28 -0.35 0.77 -1.72 0.00 0.00 179.24 179.64 2waf h SER 579 N 0.62 0.14 -0.03 6.45 4.64 -1.98 1.28 113.55 124.67 2waf h SER 579 Ca 0.01 -0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.27 2waf h SER 579 Cb 1.16 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2waf h SER 579 CO 0.12 0.49 -0.02 0.44 -0.87 0.00 0.00 176.83 177.00 2waf h ASP 580 N 0.12 0.06 -0.79 4.97 3.45 -1.90 -1.95 116.42 120.38 2waf h ASP 580 Ca 0.01 -0.43 0.10 0.00 0.43 0.00 0.00 57.03 57.15 2waf h ASP 580 Cb 0.69 -0.02 -0.06 0.00 -0.56 0.00 0.00 39.33 39.38 2waf h ASP 580 CO 0.05 0.48 0.52 -0.03 -1.57 0.00 0.00 179.24 178.68 2waf h MET 581 N -0.35 0.67 -0.09 3.56 4.05 -0.08 0.26 114.93 122.95 2waf h MET 581 Ca 0.01 -0.04 -0.15 0.00 -0.28 0.00 0.00 59.70 59.23 2waf h MET 581 Cb 0.45 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 31.09 2waf h MET 581 CO 0.00 0.44 -0.61 0.66 0.23 0.00 0.00 176.91 177.64 2waf h SER 582 N 0.69 0.36 -0.78 1.39 4.64 0.15 -1.10 113.55 118.91 2waf h SER 582 Ca 0.37 -0.21 -0.05 0.00 -0.47 0.00 0.00 61.79 61.43 2waf h SER 582 Cb 0.50 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 62.45 2waf h SER 582 CO -0.14 0.89 0.29 0.40 -0.87 0.00 0.00 176.83 177.39 2waf h ILE 583 N 0.24 1.26 -0.92 0.95 2.04 0.19 0.19 117.51 121.46 2waf h ILE 583 Ca -0.01 -0.86 0.01 0.00 1.00 0.00 0.00 64.86 65.00 2waf h ILE 583 Cb 1.13 0.35 -0.05 0.00 -0.74 0.00 0.00 36.82 37.52 2waf h ILE 583 CO 0.10 0.35 0.61 -0.07 0.00 0.00 0.00 178.15 179.14 2waf h LEU 584 N 1.15 1.06 -0.66 1.44 3.38 -0.43 -2.79 115.31 118.47 2waf h LEU 584 Ca 0.26 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 58.06 2waf h LEU 584 Cb 0.25 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2waf h LEU 584 CO -0.02 0.77 -0.48 0.45 0.09 0.00 0.00 178.44 179.25 2waf h HIS 585 N 1.25 0.56 -0.44 1.13 3.86 0.26 -2.31 115.15 119.46 2waf h HIS 585 Ca 0.34 -0.18 -0.02 0.00 -1.16 0.00 0.00 60.37 59.34 2waf h HIS 585 Cb -0.14 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.19 2waf h HIS 585 CO 0.00 0.86 0.19 0.37 0.86 0.00 0.00 177.93 180.21 2waf h GLN 586 N 0.37 0.65 0.33 2.45 5.75 -0.63 -1.15 115.11 122.88 2waf h GLN 586 Ca 0.02 -0.11 -0.00 0.00 -0.15 0.00 0.00 58.65 58.40 2waf h GLN 586 Cb 0.99 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 29.41 2waf h GLN 586 CO 0.09 0.59 -0.28 0.78 -2.65 0.00 0.00 178.83 177.35 2waf h GLY 587 N 0.57 -0.67 1.66 2.39 0.00 -1.21 -0.16 103.07 105.64 2waf h GLY 587 Ca 0.15 0.32 0.05 0.00 0.00 0.00 0.00 47.33 47.85 2waf h GLY 587 CO -0.01 -0.26 0.13 0.74 0.00 0.00 0.00 176.54 177.13 2waf h PHE 588 N -0.63 0.00 -0.19 5.60 -1.00 -1.30 0.28 116.94 119.70 2waf h PHE 588 Ca -0.02 0.00 -0.17 0.00 2.81 0.00 0.00 57.97 60.59 2waf h PHE 588 Cb 0.56 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.11 2waf h PHE 588 CO -0.16 0.00 -0.56 -0.92 -1.61 0.00 0.00 178.31 175.06 2waf h TYR 589 N 0.00 0.74 0.00 -0.55 3.20 -0.14 -2.74 116.97 117.48 2waf h TYR 589 Ca 0.08 -0.27 0.00 0.00 3.14 0.00 0.00 58.73 61.68 2waf h TYR 589 Cb 0.33 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.46 2waf h TYR 589 CO 0.00 1.01 -0.55 1.96 -1.64 0.00 0.00 178.16 178.94 2waf h GLN 590 N 0.45 0.00 0.00 1.82 4.20 0.12 -2.01 115.11 119.69 2waf h GLN 590 Ca 0.01 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 2waf h GLN 590 Cb 1.11 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.89 2waf h GLN 590 CO 0.11 0.00 -0.01 0.28 -0.67 0.00 0.00 178.83 178.54 2waf h VAL 591 N 0.00 0.07 0.00 -0.54 2.07 -0.75 -1.57 116.25 115.53 2waf h VAL 591 Ca 0.00 -0.13 -0.21 0.00 0.82 0.00 0.00 66.70 67.17 2waf h VAL 591 Cb 0.76 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.62 2waf h VAL 591 CO 0.00 0.01 -1.81 0.00 0.02 0.00 0.00 177.57 175.79 2waf n ALA 592 N -2.11 1.70 0.19 1.67 0.00 -1.13 -1.53 120.51 119.29 2waf n ALA 592 Ca -0.02 -0.68 0.07 0.00 0.00 0.00 0.00 53.44 52.80 2waf n ALA 592 Cb 0.13 0.10 0.11 0.00 0.00 0.00 0.00 19.45 19.79 2waf n ALA 592 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2waf n HIS 593 N -2.71 0.25 -1.13 0.00 8.25 -0.77 -4.26 115.22 114.86 2waf n HIS 593 Ca -0.23 -0.23 -0.31 0.00 -0.26 0.00 0.00 57.72 56.69 2waf n HIS 593 Cb 0.82 -0.01 0.11 0.00 1.12 0.00 0.00 29.99 32.03 2waf n HIS 593 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2waf s GLY 594 N -1.05 1.68 -0.11 -1.41 0.00 -0.60 -4.98 107.32 100.85 2waf s GLY 594 Ca 0.21 0.32 0.14 0.00 0.00 0.00 0.00 44.72 45.40 2waf s GLY 594 CO 0.17 0.69 1.13 -1.30 0.00 0.00 0.00 173.10 173.79 2waf n THR 595 N -3.70 1.47 -3.19 0.90 -2.24 -1.26 -4.95 114.28 101.31 2waf n THR 595 Ca 0.10 -1.85 -0.32 0.00 -2.27 0.00 0.00 64.05 59.71 2waf n THR 595 Cb 0.53 -0.05 -0.05 0.00 -2.10 0.00 0.00 70.33 68.66 2waf n THR 595 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2waf s SER 596 N -2.49 6.66 0.28 3.42 0.15 -1.26 -4.93 113.70 115.53 2waf s SER 596 Ca 0.26 1.11 0.21 0.00 0.70 0.00 0.00 55.95 58.23 2waf s SER 596 Cb 0.23 -2.30 1.05 0.00 -1.71 0.00 0.00 66.02 63.29 2waf s SER 596 CO 0.01 -0.20 1.63 0.61 1.20 0.00 0.00 173.24 176.49 2waf n GLY 597 N -0.50 -0.94 0.01 9.45 0.00 -1.26 -2.14 105.19 109.80 2waf n GLY 597 Ca 0.02 0.16 0.09 0.00 0.00 0.00 0.00 46.02 46.29 2waf n GLY 597 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2waf n LEU 598 N -2.20 0.34 -4.56 0.99 4.77 -1.26 -5.00 117.00 110.08 2waf n LEU 598 Ca -0.00 -0.19 -0.50 0.00 -0.03 0.00 0.00 56.01 55.28 2waf n LEU 598 Cb 0.08 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.12 2waf n LEU 598 CO 0.11 0.08 0.69 0.41 -1.33 0.00 0.00 177.39 177.36 2waf n THR 599 N -1.90 0.71 0.03 -5.08 -1.04 -0.91 -4.52 114.28 101.57 2waf n THR 599 Ca -0.01 -0.18 0.02 0.00 -2.04 0.00 0.00 64.05 61.85 2waf n THR 599 Cb 0.43 -0.69 -0.08 0.00 -1.82 0.00 0.00 70.33 68.16 2waf n THR 599 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2waf n THR 600 N 1.57 0.99 -2.31 12.58 -2.24 -1.07 -4.66 114.28 119.14 2waf n THR 600 Ca 0.16 -0.66 -0.11 0.00 -2.27 0.00 0.00 64.05 61.17 2waf n THR 600 Cb 0.22 -0.58 0.05 0.00 -2.10 0.00 0.00 70.33 67.91 2waf n THR 600 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2waf n GLY 601 N 1.37 4.32 0.01 3.38 0.00 -0.59 -4.71 105.19 108.98 2waf n GLY 601 Ca -0.09 -1.88 0.02 0.00 0.00 0.00 0.00 46.02 44.07 2waf n GLY 601 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2waf n ARG 602 N -0.63 0.01 0.03 1.61 1.74 -1.21 -1.33 116.66 116.87 2waf n ARG 602 Ca 0.26 0.46 -0.01 0.00 -0.77 0.00 0.00 57.85 57.80 2waf n ARG 602 Cb 0.90 -1.53 0.28 0.00 -1.02 0.00 0.00 32.46 31.09 2waf n ARG 602 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2waf h ALA 603 N 2.10 1.30 -0.57 7.54 0.00 -1.87 -2.33 119.26 125.44 2waf h ALA 603 Ca 0.00 -0.25 0.11 0.00 0.00 0.00 0.00 54.91 54.77 2waf h ALA 603 Cb 0.05 -0.13 -0.09 0.00 0.00 0.00 0.00 17.79 17.63 2waf h ALA 603 CO 0.00 0.46 0.05 0.74 0.00 0.00 0.00 179.25 180.51 2waf h PHE 604 N 0.41 0.06 0.00 0.00 0.04 -1.53 -2.90 116.94 113.02 2waf h PHE 604 Ca 0.08 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.89 2waf h PHE 604 Cb 0.46 0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.67 2waf h PHE 604 CO 0.01 -0.10 -0.05 0.43 -0.60 0.00 0.00 178.31 178.01 2waf n SER 605 N -5.21 0.21 -4.56 2.17 7.64 -0.89 -4.54 113.62 108.45 2waf n SER 605 Ca 0.08 0.46 -0.41 0.00 1.01 0.00 0.00 58.87 60.01 2waf n SER 605 Cb 0.32 -0.50 -0.03 0.00 -1.01 0.00 0.00 64.21 62.99 2waf n SER 605 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2waf s ASN 606 N -3.33 6.03 0.00 6.43 2.47 -1.10 -3.32 114.94 122.12 2waf s ASN 606 Ca 0.13 0.01 0.00 0.00 0.42 0.00 0.00 52.86 53.42 2waf s ASN 606 Cb 0.17 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 37.43 2waf s ASN 606 CO 0.56 -1.84 0.00 0.61 -3.72 0.00 0.00 177.10 172.71 2waf n GLY 607 N 5.36 0.54 3.82 1.21 0.00 -1.26 -5.05 105.19 109.80 2waf n GLY 607 Ca 0.10 -0.85 -0.33 0.00 0.00 0.00 0.00 46.02 44.93 2waf n GLY 607 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2waf s ALA 608 N -2.00 2.99 -2.16 4.61 0.00 -1.21 -4.96 121.76 119.03 2waf s ALA 608 Ca 0.00 0.43 0.24 0.00 0.00 0.00 0.00 51.96 52.63 2waf s ALA 608 Cb 0.00 -3.18 0.22 0.00 0.00 0.00 0.00 23.12 20.16 2waf s ALA 608 CO 0.00 -0.05 1.24 1.28 0.00 0.00 0.00 175.76 178.23 2waf n LEU 609 N -0.86 1.97 -3.87 0.00 4.77 -1.26 -4.94 117.00 112.81 2waf n LEU 609 Ca 0.08 -0.69 -0.09 0.00 -0.03 0.00 0.00 56.01 55.28 2waf n LEU 609 Cb 0.54 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.56 2waf n LEU 609 CO 0.39 0.36 0.27 0.68 -1.33 0.00 0.00 177.39 177.76 2waf s VAL 610 N -2.38 0.01 -0.17 4.08 -7.23 -1.26 -5.01 120.40 108.43 2waf s VAL 610 Ca 0.22 -1.09 -0.29 0.00 -1.81 0.00 0.00 61.98 59.01 2waf s VAL 610 Cb 0.19 -1.92 -0.01 0.00 0.56 0.00 0.00 36.38 35.20 2waf s VAL 610 CO 0.51 -0.05 1.22 -0.55 -0.31 0.00 0.00 175.10 175.91 2waf s SER 611 N -2.94 6.98 -0.08 4.85 0.15 -1.26 -4.99 113.70 116.41 2waf s SER 611 Ca 0.15 1.63 0.02 0.00 0.70 0.00 0.00 55.95 58.45 2waf s SER 611 Cb -0.02 -2.54 -0.02 0.00 -1.71 0.00 0.00 66.02 61.73 2waf s SER 611 CO 0.04 -0.74 -0.12 -0.63 1.20 0.00 0.00 173.24 172.99 2waf s ILE 612 N 3.39 3.23 -0.04 6.45 1.01 -1.26 -0.28 121.20 133.70 2waf s ILE 612 Ca 0.53 -0.64 0.06 0.00 0.00 0.00 0.00 60.65 60.60 2waf s ILE 612 Cb -0.20 -2.31 -0.02 0.00 0.01 0.00 0.00 42.46 39.94 2waf s ILE 612 CO 0.13 0.57 -0.24 -0.44 0.00 0.00 0.00 174.94 174.97 2waf s SER 613 N -0.40 3.22 0.00 3.58 0.01 -1.07 -4.72 113.70 114.32 2waf s SER 613 Ca 0.05 -0.44 0.00 0.00 1.31 0.00 0.00 55.95 56.87 2waf s SER 613 Cb -0.12 -0.63 0.00 0.00 0.21 0.00 0.00 66.02 65.48 2waf s SER 613 CO 0.02 0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.57 2waf n GLY 614 N 2.64 2.73 3.41 3.44 0.00 -1.04 -0.68 105.19 115.69 2waf n GLY 614 Ca -0.17 -1.08 -0.09 0.00 0.00 0.00 0.00 46.02 44.69 2waf n GLY 614 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2waf s LYS 615 N -1.15 0.49 0.37 1.61 2.47 0.36 -4.57 119.74 119.33 2waf s LYS 615 Ca 0.00 0.99 0.06 0.00 -1.56 0.00 0.00 55.97 55.47 2waf s LYS 615 Cb 0.00 0.12 -0.00 0.00 -1.46 0.00 0.00 37.83 36.49 2waf s LYS 615 CO 0.00 -0.17 0.52 0.95 0.16 0.00 0.00 175.35 176.81 2waf s THR 616 N 1.70 3.74 -0.10 3.43 -4.23 -1.26 -1.85 115.64 117.07 2waf s THR 616 Ca -0.09 -0.96 -0.08 0.00 -1.18 0.00 0.00 61.69 59.38 2waf s THR 616 Cb -0.08 -3.29 0.03 0.00 1.34 0.00 0.00 72.50 70.50 2waf s THR 616 CO -0.15 -0.12 0.25 -0.83 -0.54 0.00 0.00 174.62 173.23 2waf s GLY 617 N -4.23 -0.18 0.00 3.99 0.00 -0.66 -3.71 107.32 102.53 2waf s GLY 617 Ca 0.48 0.75 0.00 0.00 0.00 0.00 0.00 44.72 45.96 2waf s GLY 617 CO 0.32 0.70 -0.01 -1.08 0.00 0.00 0.00 173.10 173.04 2waf s THR 618 N 0.29 0.05 0.07 0.90 -1.32 -1.25 -3.10 115.64 111.27 2waf s THR 618 Ca -0.01 -0.05 0.01 0.00 -1.21 0.00 0.00 61.69 60.42 2waf s THR 618 Cb -0.03 -0.06 -0.04 0.00 -1.51 0.00 0.00 72.50 70.87 2waf s THR 618 CO -0.01 0.00 -0.05 0.00 -2.21 0.00 0.00 174.62 172.35 2waf s ALA 619 N -0.05 0.68 0.18 11.08 0.00 -1.21 -3.60 121.76 128.84 2waf s ALA 619 Ca -0.00 -1.17 0.02 0.00 0.00 0.00 0.00 51.96 50.81 2waf s ALA 619 Cb -0.00 0.19 -0.01 0.00 0.00 0.00 0.00 23.12 23.30 2waf s ALA 619 CO -0.00 -0.26 0.07 0.39 0.00 0.00 0.00 175.76 175.97 2waf n GLU 620 N 0.33 0.73 -0.88 0.00 1.02 -1.26 0.23 120.64 120.81 2waf n GLU 620 Ca -0.15 -1.58 0.00 0.00 -0.02 0.00 0.00 57.16 55.41 2waf n GLU 620 Cb 0.60 0.89 0.00 0.00 -0.02 0.00 0.00 31.44 32.91 2waf n GLU 620 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2waf n SER 621 N -1.86 0.00 -2.18 1.62 3.41 0.35 -4.89 113.62 110.08 2waf n SER 621 Ca -0.02 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.39 2waf n SER 621 Cb 0.28 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.24 2waf n SER 621 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2waf n TYR 622 N 9.00 -1.93 -2.72 7.33 9.36 -1.26 -2.97 117.16 133.97 2waf n TYR 622 Ca 0.00 0.15 0.02 0.00 3.32 0.00 0.00 57.90 61.39 2waf n TYR 622 Cb 0.00 -0.84 0.01 0.00 -0.63 0.00 0.00 39.34 37.88 2waf n TYR 622 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2waf s VAL 623 N -1.05 -0.13 0.00 2.97 0.11 -1.23 -4.63 120.40 116.44 2waf s VAL 623 Ca 0.27 -0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.32 2waf s VAL 623 Cb -0.21 0.00 0.00 0.00 -1.53 0.00 0.00 36.38 34.64 2waf s VAL 623 CO 0.38 0.00 0.00 0.00 -3.33 0.00 0.00 175.10 172.15 2waf n ALA 624 N 3.60 0.00 -1.70 1.54 0.00 -1.26 -3.30 120.51 119.39 2waf n ALA 624 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.23 2waf n ALA 624 Cb 0.64 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.04 2waf n ALA 624 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2waf s ASP 625 N -4.00 4.42 0.01 0.00 1.11 -1.26 -4.65 116.67 112.30 2waf s ASP 625 Ca 0.00 0.32 -0.29 0.00 0.18 0.00 0.00 52.55 52.76 2waf s ASP 625 Cb 0.00 -2.53 0.10 0.00 1.07 0.00 0.00 42.92 41.56 2waf s ASP 625 CO 0.00 -3.20 1.11 -0.83 1.18 0.00 0.00 175.17 173.43 2waf s GLY 626 N 10.56 -0.34 0.00 0.21 0.00 -1.21 -5.11 107.32 111.43 2waf s GLY 626 Ca 0.88 0.71 0.00 0.00 0.00 0.00 0.00 44.72 46.31 2waf s GLY 626 CO 0.14 0.18 0.00 -0.18 0.00 0.00 0.00 173.10 173.25 2waf n GLN 627 N -0.38 0.00 -3.38 2.90 -0.06 -1.26 -4.66 117.38 110.54 2waf n GLN 627 Ca -0.06 0.00 -0.38 0.00 -2.00 0.00 0.00 57.00 54.56 2waf n GLN 627 Cb 0.61 0.00 -0.06 0.00 -4.06 0.00 0.00 30.24 26.73 2waf n GLN 627 CO 0.00 0.00 0.00 1.14 -0.20 0.00 0.00 177.06 178.00 2waf s GLN 628 N -3.60 4.17 0.27 3.69 -2.07 -1.26 -3.57 119.66 117.29 2waf s GLN 628 Ca 0.00 0.48 -0.19 0.00 -1.82 0.00 0.00 55.36 53.83 2waf s GLN 628 Cb 0.00 -3.32 0.02 0.00 -1.09 0.00 0.00 33.01 28.61 2waf s GLN 628 CO 0.00 0.43 0.66 0.00 -1.32 0.00 0.00 175.29 175.07 2waf s ALA 629 N -0.29 -1.03 0.17 2.60 0.00 -1.16 -4.96 121.76 117.11 2waf s ALA 629 Ca 0.26 -0.40 -0.11 0.00 0.00 0.00 0.00 51.96 51.71 2waf s ALA 629 Cb -0.16 0.89 -0.00 0.00 0.00 0.00 0.00 23.12 23.85 2waf s ALA 629 CO 0.13 -0.99 0.34 0.95 0.00 0.00 0.00 175.76 176.19 2waf s THR 630 N -3.93 0.06 0.11 0.00 -4.23 -0.69 -0.49 115.64 106.46 2waf s THR 630 Ca 0.13 -1.25 -0.10 0.00 -1.18 0.00 0.00 61.69 59.30 2waf s THR 630 Cb -0.05 -1.78 -0.06 0.00 1.34 0.00 0.00 72.50 71.96 2waf s THR 630 CO 0.07 -0.26 0.43 0.20 -0.54 0.00 0.00 174.62 174.52 2waf s ASN 631 N -2.94 6.65 -0.48 3.99 0.01 0.14 0.69 114.94 122.99 2waf s ASN 631 Ca 0.15 0.82 0.08 0.00 -0.71 0.00 0.00 52.86 53.20 2waf s ASN 631 Cb 0.02 -2.19 0.37 0.00 0.41 0.00 0.00 41.25 39.86 2waf s ASN 631 CO -0.01 0.12 0.92 0.35 -1.51 0.00 0.00 177.10 176.97 2waf n THR 632 N 0.68 1.89 -1.43 1.60 -2.24 -1.03 -3.32 114.28 110.43 2waf n THR 632 Ca -0.06 -4.98 -0.31 0.00 -2.27 0.00 0.00 64.05 56.43 2waf n THR 632 Cb 0.52 -0.88 0.08 0.00 -2.10 0.00 0.00 70.33 67.95 2waf n THR 632 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2waf s ASN 633 N -3.17 4.81 -0.26 3.42 0.01 -1.18 -3.29 114.94 115.29 2waf s ASN 633 Ca 0.44 1.64 -0.18 0.00 -0.71 0.00 0.00 52.86 54.06 2waf s ASN 633 Cb 0.33 -2.42 0.07 0.00 0.41 0.00 0.00 41.25 39.64 2waf s ASN 633 CO -0.12 -1.81 0.65 0.00 -1.51 0.00 0.00 177.10 174.32 2waf s ALA 634 N -3.00 -1.71 0.14 0.60 0.00 0.97 -1.66 121.76 117.11 2waf s ALA 634 Ca 0.60 2.13 0.09 0.00 0.00 0.00 0.00 51.96 54.78 2waf s ALA 634 Cb -0.15 -1.25 -0.04 0.00 0.00 0.00 0.00 23.12 21.67 2waf s ALA 634 CO 0.55 -0.34 -0.13 0.14 0.00 0.00 0.00 175.76 175.98 2waf s VAL 635 N 1.14 3.08 -0.02 0.00 -7.23 -0.77 -0.49 120.40 116.10 2waf s VAL 635 Ca -0.06 -1.53 -0.30 0.00 -1.81 0.00 0.00 61.98 58.27 2waf s VAL 635 Cb -0.05 -2.47 0.11 0.00 0.56 0.00 0.00 36.38 34.53 2waf s VAL 635 CO -0.11 0.01 1.05 0.00 -0.31 0.00 0.00 175.10 175.74 2waf s ALA 636 N -1.40 -1.92 0.35 1.32 0.00 -0.35 -0.48 121.76 119.26 2waf s ALA 636 Ca 0.22 0.94 -0.02 0.00 0.00 0.00 0.00 51.96 53.10 2waf s ALA 636 Cb -0.10 0.31 0.00 0.00 0.00 0.00 0.00 23.12 23.33 2waf s ALA 636 CO 0.13 -0.79 0.47 1.52 0.00 0.00 0.00 175.76 177.09 2waf s TYR 637 N -2.85 1.10 0.00 0.00 -0.85 0.15 -0.55 117.35 114.35 2waf s TYR 637 Ca 0.09 -1.32 0.00 0.00 -0.52 0.00 0.00 57.07 55.33 2waf s TYR 637 Cb -0.00 -0.11 0.00 0.00 0.38 0.00 0.00 41.96 42.23 2waf s TYR 637 CO -0.05 -1.13 0.00 0.00 -1.52 0.00 0.00 175.55 172.85 2waf n ALA 638 N -0.57 0.00 -1.16 9.51 0.00 -0.59 -2.61 120.51 125.10 2waf n ALA 638 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.12 2waf n ALA 638 Cb 0.62 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.18 2waf n ALA 638 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2waf s PRO 639 N -2.00 1.80 0.17 0.00 0.04 -1.26 0.16 135.00 133.92 2waf s PRO 639 Ca 0.00 1.67 -0.14 0.00 0.04 0.00 0.00 61.00 62.57 2waf s PRO 639 Cb 0.00 -1.80 0.06 0.00 0.04 0.00 0.00 34.50 32.79 2waf s PRO 639 CO 0.00 -2.07 1.78 0.77 0.04 0.00 0.00 177.00 177.52 2waf h SER 640 N -0.82 0.65 0.12 6.66 0.02 -0.90 -1.47 113.55 117.81 2waf h SER 640 Ca -0.46 -0.08 0.02 0.00 -0.84 0.00 0.00 61.79 60.43 2waf h SER 640 Cb 1.28 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 63.62 2waf h SER 640 CO 0.47 0.55 -0.30 -0.78 -1.14 0.00 0.00 176.83 175.63 2waf h ASP 641 N 0.71 -0.86 -2.26 3.07 1.82 -1.97 -3.39 116.42 113.53 2waf h ASP 641 Ca 0.19 0.10 -0.58 0.00 -0.39 0.00 0.00 57.03 56.35 2waf h ASP 641 Cb 0.03 0.33 -0.39 0.00 0.68 0.00 0.00 39.33 39.99 2waf h ASP 641 CO -0.03 -0.39 -1.00 -3.20 -1.61 0.00 0.00 179.24 173.01 2waf n ASN 642 N -5.41 -0.09 -4.57 2.28 5.15 -0.99 -5.11 115.26 106.52 2waf n ASN 642 Ca -0.07 -2.52 -0.50 0.00 -0.60 0.00 0.00 54.58 50.89 2waf n ASN 642 Cb 0.32 -0.59 -0.06 0.00 -0.53 0.00 0.00 39.78 38.92 2waf n ASN 642 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 2waf n PRO 643 N 2.30 1.53 -0.00 1.20 -0.02 -0.59 -4.13 135.00 135.29 2waf n PRO 643 Ca 0.27 0.49 0.04 0.00 -2.02 0.00 0.00 63.50 62.28 2waf n PRO 643 Cb 0.49 -2.58 -0.05 0.00 -0.02 0.00 0.00 33.50 31.34 2waf n PRO 643 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2waf n GLN 644 N 7.50 3.60 -3.78 -0.52 6.02 0.43 -4.67 117.38 125.96 2waf n GLN 644 Ca 0.32 -0.01 -0.13 0.00 -0.01 0.00 0.00 57.00 57.17 2waf n GLN 644 Cb 0.27 -0.94 -0.13 0.00 1.02 0.00 0.00 30.24 30.46 2waf n GLN 644 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 177.06 174.55 2waf s ILE 645 N -1.91 -0.02 -0.07 5.09 2.07 -0.01 -4.43 121.20 121.91 2waf s ILE 645 Ca 0.02 0.07 0.03 0.00 -1.41 0.00 0.00 60.65 59.36 2waf s ILE 645 Cb 0.06 -0.28 0.01 0.00 0.13 0.00 0.00 42.46 42.37 2waf s ILE 645 CO 0.33 0.03 -0.17 0.00 -1.91 0.00 0.00 174.94 173.21 2waf s ALA 646 N 0.55 1.64 0.04 1.50 0.00 -0.64 -1.54 121.76 123.31 2waf s ALA 646 Ca -0.04 -0.67 0.01 0.00 0.00 0.00 0.00 51.96 51.27 2waf s ALA 646 Cb -0.05 -0.65 -0.02 0.00 0.00 0.00 0.00 23.12 22.40 2waf s ALA 646 CO -0.03 0.21 -0.06 0.54 0.00 0.00 0.00 175.76 176.42 2waf s VAL 647 N 0.44 0.43 -0.00 0.00 0.11 0.29 -0.65 120.40 121.02 2waf s VAL 647 Ca -0.14 -1.13 0.01 0.00 -2.93 0.00 0.00 61.98 57.79 2waf s VAL 647 Cb -0.16 -0.63 -0.00 0.00 -1.53 0.00 0.00 36.38 34.06 2waf s VAL 647 CO 0.05 -0.47 -0.03 0.00 -3.33 0.00 0.00 175.10 171.32 2waf s ALA 648 N -1.66 0.24 -0.08 1.54 0.00 -0.92 -1.21 121.76 119.66 2waf s ALA 648 Ca -0.09 -0.12 0.02 0.00 0.00 0.00 0.00 51.96 51.76 2waf s ALA 648 Cb -0.08 -0.06 0.02 0.00 0.00 0.00 0.00 23.12 22.99 2waf s ALA 648 CO -0.01 0.06 -0.11 0.08 0.00 0.00 0.00 175.76 175.78 2waf s VAL 649 N -0.06 1.14 -0.18 0.00 1.01 0.36 -1.95 120.40 120.72 2waf s VAL 649 Ca 0.01 -0.45 -0.00 0.00 0.00 0.00 0.00 61.98 61.54 2waf s VAL 649 Cb -0.01 -1.07 0.01 0.00 0.00 0.00 0.00 36.38 35.31 2waf s VAL 649 CO -0.00 0.36 -0.15 -0.69 0.00 0.00 0.00 175.10 174.62 2waf s VAL 650 N 0.92 2.52 -0.46 2.92 1.01 -0.01 -0.02 120.40 127.27 2waf s VAL 650 Ca -0.10 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.12 2waf s VAL 650 Cb -0.15 -2.08 0.16 0.00 0.00 0.00 0.00 36.38 34.31 2waf s VAL 650 CO 0.01 0.51 0.33 0.12 0.00 0.00 0.00 175.10 176.07 2waf s PHE 651 N 1.17 1.60 0.68 5.22 2.19 -1.26 -1.12 117.98 126.46 2waf s PHE 651 Ca 0.02 -2.42 -0.11 0.00 0.33 0.00 0.00 56.93 54.75 2waf s PHE 651 Cb -0.14 -1.37 -0.00 0.00 -1.31 0.00 0.00 43.02 40.20 2waf s PHE 651 CO -0.07 -0.77 1.06 -1.25 1.83 0.00 0.00 175.22 176.02 2waf s PRO 652 N -0.02 3.08 -0.77 10.12 0.04 -1.25 -2.47 135.00 143.73 2waf s PRO 652 Ca 0.27 0.71 -0.16 0.00 0.04 0.00 0.00 61.00 61.86 2waf s PRO 652 Cb -0.06 -2.03 0.02 0.00 0.04 0.00 0.00 34.50 32.48 2waf s PRO 652 CO -0.13 -0.93 0.31 0.72 0.04 0.00 0.00 177.00 177.00 2waf n HIS 653 N -2.98 -0.79 -2.81 0.56 8.25 -1.26 -4.38 115.22 111.81 2waf n HIS 653 Ca 0.07 0.10 -0.36 0.00 -0.26 0.00 0.00 57.72 57.27 2waf n HIS 653 Cb 0.55 -1.63 -0.07 0.00 1.12 0.00 0.00 29.99 29.96 2waf n HIS 653 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2waf s ASN 654 N -4.06 7.21 -0.08 0.41 3.84 0.22 -3.31 114.94 119.17 2waf s ASN 654 Ca 0.22 1.77 -0.07 0.00 0.21 0.00 0.00 52.86 55.00 2waf s ASN 654 Cb -0.13 -2.56 -0.28 0.00 -0.55 0.00 0.00 41.25 37.74 2waf s ASN 654 CO 0.58 -0.15 0.53 0.00 -2.79 0.00 0.00 177.10 175.28 2waf h THR 655 N 2.41 0.79 -0.05 -5.21 1.03 0.47 -1.84 112.91 110.51 2waf h THR 655 Ca -0.47 -2.46 -0.08 0.00 -0.01 0.00 0.00 66.41 63.38 2waf h THR 655 Cb 1.19 2.61 -0.01 0.00 -1.07 0.00 0.00 68.15 70.87 2waf h THR 655 CO 0.64 0.86 -0.33 0.78 -0.01 0.00 0.00 175.52 177.46 2waf h ASN 656 N 0.08 0.10 0.00 0.00 2.35 -1.90 -3.45 115.58 112.77 2waf h ASN 656 Ca -0.37 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.34 2waf h ASN 656 Cb 2.06 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 40.40 2waf h ASN 656 CO 0.13 0.43 0.00 -0.11 -1.65 0.00 0.00 177.43 176.22 2waf n LEU 657 N -4.12 0.00 0.00 1.61 7.94 -1.26 -4.55 117.00 116.62 2waf n LEU 657 Ca -0.02 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.88 2waf n LEU 657 Cb 0.39 -0.36 0.00 0.00 0.53 0.00 0.00 43.42 43.98 2waf n LEU 657 CO 0.39 0.00 0.00 1.07 -1.11 0.00 0.00 177.39 177.74 2waf n THR 658 N -1.78 0.00 -3.84 1.96 5.66 -1.26 -4.82 114.28 110.19 2waf n THR 658 Ca 0.00 0.38 -0.35 0.00 -3.05 0.00 0.00 64.05 61.02 2waf n THR 658 Cb 0.00 -1.29 -0.13 0.00 -1.55 0.00 0.00 70.33 67.37 2waf n THR 658 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 2waf s ASN 659 N -2.98 5.09 0.17 1.09 0.01 -1.26 -5.08 114.94 111.98 2waf s ASN 659 Ca 0.00 -1.82 -0.32 0.00 -0.71 0.00 0.00 52.86 50.02 2waf s ASN 659 Cb 0.00 -1.77 -0.11 0.00 0.41 0.00 0.00 41.25 39.78 2waf s ASN 659 CO 0.00 -0.44 1.68 -0.83 -1.51 0.00 0.00 177.10 176.00 2waf s GLY 660 N 1.54 1.37 0.00 0.66 0.00 -1.26 -4.88 107.32 104.75 2waf s GLY 660 Ca 0.05 1.47 0.17 0.00 0.00 0.00 0.00 44.72 46.40 2waf s GLY 660 CO -0.04 2.84 1.39 3.33 0.00 0.00 0.00 173.10 180.62 2waf n VAL 661 N 4.15 0.59 0.01 1.40 0.24 -1.26 -4.33 118.33 119.12 2waf n VAL 661 Ca 0.15 -0.62 -0.13 0.00 -2.04 0.00 0.00 64.34 61.70 2waf n VAL 661 Cb 0.37 0.39 -0.09 0.00 -1.47 0.00 0.00 33.84 33.04 2waf n VAL 661 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2waf h GLY 662 N 4.91 -0.03 0.98 7.63 0.00 -1.88 -0.74 103.07 113.94 2waf h GLY 662 Ca 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.31 2waf h GLY 662 CO 0.00 -0.01 -0.31 -0.56 0.00 0.00 0.00 176.54 175.66 2waf h PRO 663 N -0.40 -0.81 -0.67 4.80 0.13 -1.79 -2.60 132.00 130.66 2waf h PRO 663 Ca -0.00 0.06 0.14 0.00 -0.87 0.00 0.00 66.00 65.33 2waf h PRO 663 Cb 0.38 0.18 -0.12 0.00 0.13 0.00 0.00 31.00 31.58 2waf h PRO 663 CO 0.00 -0.54 -0.02 1.03 -0.23 0.00 0.00 178.00 178.24 2waf h SER 664 N -0.84 -0.35 -0.18 1.44 0.87 -1.79 0.30 113.55 113.00 2waf h SER 664 Ca -0.08 0.17 0.04 0.00 -1.23 0.00 0.00 61.79 60.70 2waf h SER 664 Cb 0.66 0.31 -0.05 0.00 -0.44 0.00 0.00 62.40 62.88 2waf h SER 664 CO 0.12 -0.15 -0.11 0.40 -0.53 0.00 0.00 176.83 176.56 2waf h ILE 665 N 0.10 0.66 -0.58 2.23 2.04 -1.11 -2.39 117.51 118.45 2waf h ILE 665 Ca 0.35 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 66.15 2waf h ILE 665 Cb 0.58 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 2waf h ILE 665 CO -0.59 0.00 0.13 0.00 0.00 0.00 0.00 178.15 177.69 2waf h ALA 666 N 1.03 1.13 -0.26 1.87 0.00 -0.16 -0.88 119.26 121.99 2waf h ALA 666 Ca 0.10 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.85 2waf h ALA 666 Cb 0.27 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 2waf h ALA 666 CO -0.25 0.58 -0.14 -0.09 0.00 0.00 0.00 179.25 179.36 2waf h ARG 667 N 0.87 -0.10 0.00 0.00 2.43 -0.55 -0.73 114.38 116.30 2waf h ARG 667 Ca 0.19 0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.28 2waf h ARG 667 Cb 0.33 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 2waf h ARG 667 CO 0.00 -0.07 -0.42 -0.44 -1.51 0.00 0.00 179.97 177.53 2waf h ASP 668 N -0.11 0.00 0.89 -3.80 3.45 -0.73 0.40 116.42 116.52 2waf h ASP 668 Ca 0.14 0.00 -0.04 0.00 0.43 0.00 0.00 57.03 57.56 2waf h ASP 668 Cb 0.32 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.09 2waf h ASP 668 CO -0.33 0.42 -0.47 0.40 -1.57 0.00 0.00 179.24 177.69 2waf h ILE 669 N 0.00 0.06 -0.12 0.35 2.04 -0.80 0.45 117.51 119.48 2waf h ILE 669 Ca -0.00 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.90 2waf h ILE 669 Cb 0.77 0.06 -0.06 0.00 -0.74 0.00 0.00 36.82 36.84 2waf h ILE 669 CO 0.05 0.00 -0.40 0.40 0.00 0.00 0.00 178.15 178.21 2waf h ILE 670 N -1.24 0.18 -0.78 -0.67 2.04 -0.47 -0.70 117.51 115.87 2waf h ILE 670 Ca -0.12 0.00 0.18 0.00 1.00 0.00 0.00 64.86 65.92 2waf h ILE 670 Cb 0.97 0.18 -0.14 0.00 -0.74 0.00 0.00 36.82 37.09 2waf h ILE 670 CO 0.17 0.00 -0.03 0.78 0.00 0.00 0.00 178.15 179.08 2waf h ASN 671 N -0.48 -0.42 -0.91 1.72 2.35 -0.20 0.27 115.58 117.91 2waf h ASN 671 Ca 0.08 0.21 0.14 0.00 -0.55 0.00 0.00 56.30 56.17 2waf h ASN 671 Cb 0.61 0.38 -0.09 0.00 0.05 0.00 0.00 38.32 39.27 2waf h ASN 671 CO -0.38 -0.21 0.53 -0.07 -1.65 0.00 0.00 177.43 175.65 2waf h LEU 672 N 0.08 0.71 -0.10 1.61 3.38 0.88 -1.43 115.31 120.44 2waf h LEU 672 Ca 0.42 0.07 -0.12 0.00 0.09 0.00 0.00 57.88 58.35 2waf h LEU 672 Cb 0.74 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2waf h LEU 672 CO -0.71 0.34 -0.40 0.22 0.09 0.00 0.00 178.44 177.98 2waf h TYR 673 N 0.78 0.60 0.00 1.13 3.20 0.91 -2.65 116.97 120.95 2waf h TYR 673 Ca 0.48 -0.25 -0.10 0.00 3.14 0.00 0.00 58.73 62.00 2waf h TYR 673 Cb 0.60 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 2waf h TYR 673 CO -0.05 1.00 -0.48 0.37 -1.64 0.00 0.00 178.16 177.37 2waf h GLN 674 N 0.03 0.00 0.00 1.82 -0.00 -1.08 0.19 115.11 116.07 2waf h GLN 674 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.63 2waf h GLN 674 Cb 1.03 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.51 2waf h GLN 674 CO 0.08 0.48 0.00 1.17 0.00 0.00 0.00 178.83 180.57 2waf n LYS 675 N -3.79 0.02 -0.10 1.69 4.81 -0.55 -2.39 118.16 117.86 2waf n LYS 675 Ca -0.01 0.22 -0.11 0.00 -0.87 0.00 0.00 58.31 57.55 2waf n LYS 675 Cb 0.53 -1.50 -0.15 0.00 0.02 0.00 0.00 35.03 33.93 2waf n LYS 675 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 2waf n TYR 676 N -1.48 0.00 -2.81 5.64 9.36 0.29 -4.85 117.16 123.31 2waf n TYR 676 Ca 0.04 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.19 2waf n TYR 676 Cb 0.18 -0.97 0.02 0.00 -0.63 0.00 0.00 39.34 37.94 2waf n TYR 676 CO 0.00 0.00 0.00 1.58 0.22 0.00 0.00 176.86 178.66 2waf n HIS 677 N -2.78 -3.38 -1.60 2.98 -0.00 0.39 -5.09 115.22 105.74 2waf n HIS 677 Ca -0.33 -1.69 -0.50 0.00 -0.00 0.00 0.00 57.72 55.19 2waf n HIS 677 Cb 1.12 1.39 -0.05 0.00 -0.00 0.00 0.00 29.99 32.44 2waf n HIS 677 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 2waf n PRO 678 N 2.39 1.28 -0.04 1.57 -0.02 -1.00 -4.55 135.00 134.62 2waf n PRO 678 Ca 0.15 0.46 -0.00 0.00 -2.02 0.00 0.00 63.50 62.09 2waf n PRO 678 Cb 0.58 -2.07 -0.12 0.00 -0.02 0.00 0.00 33.50 31.87 2waf n PRO 678 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 2waf n MET 679 N 2.33 1.06 -1.88 -0.52 2.81 -1.26 -4.94 117.12 114.72 2waf n MET 679 Ca 0.17 -0.07 -0.33 0.00 -1.81 0.00 0.00 57.70 55.65 2waf n MET 679 Cb 0.22 -1.39 0.04 0.00 -0.71 0.00 0.00 33.22 31.38 2waf n MET 679 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2waf s ASN 680 N -4.42 5.27 0.00 7.83 2.20 -1.26 -4.85 114.94 119.71 2waf s ASN 680 Ca -0.07 2.03 0.00 0.00 -0.94 0.00 0.00 52.86 53.88 2waf s ASN 680 Cb 0.07 -2.56 0.00 0.00 -2.00 0.00 0.00 41.25 36.76 2waf s ASN 680 CO 0.65 -1.52 0.00 1.41 -2.94 0.00 0.00 177.10 174.70 2waf n HIS 681 N -2.15 0.00 0.00 1.54 8.25 -1.26 -5.23 115.22 116.38 2waf n HIS 681 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 2waf n HIS 681 Cb 0.52 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.63 2waf n HIS 681 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59