#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k6h n LYS 2 N 0.00 0.31 -4.18 2.12 0.00 -1.26 -4.66 118.16 110.50 2k6h n LYS 2 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.20 2k6h n LYS 2 Cb 0.00 -1.29 -0.10 0.00 -0.00 0.00 0.00 35.03 33.64 2k6h n LYS 2 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 2k6h s ARG 3 N -2.00 0.87 0.72 -1.58 1.70 -1.26 -5.07 118.95 112.32 2k6h s ARG 3 Ca 0.09 -1.35 -0.15 0.00 -0.47 0.00 0.00 55.73 53.84 2k6h s ARG 3 Cb 0.04 -0.26 0.03 0.00 -0.57 0.00 0.00 34.95 34.19 2k6h s ARG 3 CO 0.07 -0.01 1.18 -1.50 -1.08 0.00 0.00 175.30 173.96 2k6h s ILE 4 N -3.59 2.52 -0.24 4.99 2.07 -1.26 -5.05 121.20 120.64 2k6h s ILE 4 Ca 0.13 0.25 0.00 0.00 -1.41 0.00 0.00 60.65 59.62 2k6h s ILE 4 Cb 0.05 -2.80 0.03 0.00 0.13 0.00 0.00 42.46 39.88 2k6h s ILE 4 CO -0.04 -0.14 -0.10 0.54 -1.91 0.00 0.00 174.94 173.29 2k6h s VAL 5 N -2.08 2.52 0.58 4.00 0.11 -1.26 -4.96 120.40 119.31 2k6h s VAL 5 Ca 0.72 -1.19 -0.19 0.00 -2.93 0.00 0.00 61.98 58.40 2k6h s VAL 5 Cb -0.27 -2.30 -0.04 0.00 -1.53 0.00 0.00 36.38 32.24 2k6h s VAL 5 CO 0.44 0.20 1.16 -2.16 -3.33 0.00 0.00 175.10 171.41 2k6h s PRO 6 N 1.25 3.13 0.10 1.54 0.04 -1.26 -4.96 135.00 134.84 2k6h s PRO 6 Ca -0.01 1.68 0.07 0.00 0.04 0.00 0.00 61.00 62.78 2k6h s PRO 6 Cb -0.17 -1.97 -0.21 0.00 0.04 0.00 0.00 34.50 32.19 2k6h s PRO 6 CO -0.06 -1.05 1.21 0.87 0.04 0.00 0.00 177.00 178.01 2k6h h LYS 7 N 0.94 0.01 -3.72 4.56 6.56 -1.92 -3.46 116.57 119.53 2k6h h LYS 7 Ca -0.50 -0.01 -0.09 0.00 -1.06 0.00 0.00 60.65 58.99 2k6h h LYS 7 Cb 1.28 0.00 -0.09 0.00 -0.57 0.00 0.00 32.23 32.85 2k6h h LYS 7 CO 0.56 0.95 -0.13 0.12 -2.06 0.00 0.00 179.45 178.88 2k6h s PHE 8 N -2.70 0.47 -0.02 -1.35 5.36 -1.26 -5.18 117.98 113.31 2k6h s PHE 8 Ca 0.00 -0.83 -0.01 0.00 -0.96 0.00 0.00 56.93 55.14 2k6h s PHE 8 Cb 0.10 0.15 0.03 0.00 -0.34 0.00 0.00 43.02 42.95 2k6h s PHE 8 CO 0.82 -1.02 0.04 -0.08 -1.46 0.00 0.00 175.22 173.53 2k6h s THR 9 N -3.84 -0.05 -0.49 0.12 -1.32 -1.26 -4.61 115.64 104.19 2k6h s THR 9 Ca 0.24 0.18 -0.17 0.00 -1.21 0.00 0.00 61.69 60.72 2k6h s THR 9 Cb -0.00 -0.10 0.06 0.00 -1.51 0.00 0.00 72.50 70.95 2k6h s THR 9 CO 0.11 0.07 0.52 -1.61 -2.21 0.00 0.00 174.62 171.50 2k6h s GLU 10 N 0.91 3.06 -0.23 7.08 8.01 -0.52 -5.01 118.70 132.01 2k6h s GLU 10 Ca -0.08 -1.07 -0.07 0.00 0.01 0.00 0.00 54.97 53.76 2k6h s GLU 10 Cb -0.11 -4.10 -0.03 0.00 -4.31 0.00 0.00 34.13 25.58 2k6h s GLU 10 CO -0.03 -1.12 0.07 0.42 0.01 0.00 0.00 175.26 174.61 2k6h s ILE 11 N 2.19 4.39 -0.27 -1.63 1.01 -1.26 -0.50 121.20 125.12 2k6h s ILE 11 Ca 0.10 -0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.60 2k6h s ILE 11 Cb -0.21 -3.03 0.08 0.00 0.01 0.00 0.00 42.46 39.31 2k6h s ILE 11 CO 0.10 0.36 0.03 -0.36 0.00 0.00 0.00 174.94 175.07 2k6h s PHE 12 N 1.35 2.19 -0.33 3.97 0.08 -0.12 -4.96 117.98 120.15 2k6h s PHE 12 Ca 0.05 -1.83 -0.28 0.00 0.12 0.00 0.00 56.93 54.99 2k6h s PHE 12 Cb -0.15 -1.76 -0.02 0.00 -0.57 0.00 0.00 43.02 40.52 2k6h s PHE 12 CO 0.03 -0.82 1.84 -1.25 -0.10 0.00 0.00 175.22 174.93 2k6h s PRO 13 N 1.46 3.28 0.16 0.24 0.05 -1.26 -1.36 135.00 137.56 2k6h s PRO 13 Ca 0.03 1.45 -0.12 0.00 0.05 0.00 0.00 61.00 62.40 2k6h s PRO 13 Cb -0.18 -4.22 0.05 0.00 0.05 0.00 0.00 34.50 30.19 2k6h s PRO 13 CO -0.13 -1.92 1.67 0.28 0.05 0.00 0.00 177.00 176.95 2k6h h VAL 14 N 6.85 1.24 -0.00 -0.36 2.07 -1.13 -3.12 116.25 121.80 2k6h h VAL 14 Ca -0.34 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.33 2k6h h VAL 14 Cb 1.17 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 2k6h h VAL 14 CO 1.03 0.31 -0.05 -0.62 0.02 0.00 0.00 177.57 178.26 2k6h n GLU 15 N -4.42 0.42 -2.74 1.57 1.02 -1.26 -4.49 120.64 110.74 2k6h n GLU 15 Ca 0.02 -0.06 -0.42 0.00 -0.02 0.00 0.00 57.16 56.68 2k6h n GLU 15 Cb 0.22 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.11 2k6h n GLU 15 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2k6h s ASP 16 N -2.62 6.18 -0.98 1.62 2.15 -1.18 -4.95 116.67 116.88 2k6h s ASP 16 Ca 0.26 -0.74 -0.22 0.00 0.43 0.00 0.00 52.55 52.28 2k6h s ASP 16 Cb 0.20 -2.47 -0.11 0.00 -0.30 0.00 0.00 42.92 40.23 2k6h s ASP 16 CO 0.49 -1.58 1.93 0.00 -0.17 0.00 0.00 175.17 175.83 2k6h n ALA 17 N 8.34 2.91 0.00 3.66 0.00 -1.26 -4.30 120.51 129.86 2k6h n ALA 17 Ca -0.01 -3.27 0.00 0.00 0.00 0.00 0.00 53.44 50.16 2k6h n ALA 17 Cb 0.47 -3.58 0.00 0.00 0.00 0.00 0.00 19.45 16.34 2k6h n ALA 17 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2k6h n ASN 18 N 9.89 4.65 -3.88 0.00 2.85 -1.26 -5.06 115.26 122.44 2k6h n ASN 18 Ca 0.48 0.00 -0.11 0.00 -0.11 0.00 0.00 54.58 54.84 2k6h n ASN 18 Cb 0.43 0.69 -0.12 0.00 1.24 0.00 0.00 39.78 42.02 2k6h n ASN 18 CO 0.00 0.00 0.00 -0.72 -2.11 0.00 0.00 177.26 174.43 2k6h s TYR 19 N -1.90 0.03 0.69 1.20 1.13 -1.26 -5.17 117.35 112.07 2k6h s TYR 19 Ca 0.00 -0.06 -0.10 0.00 -1.41 0.00 0.00 57.07 55.50 2k6h s TYR 19 Cb 0.00 -0.05 0.02 0.00 -1.10 0.00 0.00 41.96 40.84 2k6h s TYR 19 CO 0.00 -0.15 1.05 -1.25 -2.51 0.00 0.00 175.55 172.69 2k6h s PRO 20 N -0.74 2.77 0.24 -3.49 0.04 -1.26 -5.00 135.00 127.57 2k6h s PRO 20 Ca -0.08 0.29 -0.05 0.00 0.04 0.00 0.00 61.00 61.20 2k6h s PRO 20 Cb -0.05 -2.08 0.40 0.00 0.04 0.00 0.00 34.50 32.81 2k6h s PRO 20 CO 0.00 -1.01 1.79 1.88 0.04 0.00 0.00 177.00 179.71 2k6h h TYR 21 N -0.57 0.78 -0.83 0.56 0.05 -1.94 -2.20 116.97 112.82 2k6h h TYR 21 Ca -0.45 0.03 0.16 0.00 0.05 0.00 0.00 58.73 58.52 2k6h h TYR 21 Cb 1.26 -0.23 -0.10 0.00 1.01 0.00 0.00 36.73 38.67 2k6h h TYR 21 CO 0.47 0.29 0.38 1.03 -1.05 0.00 0.00 178.16 179.28 2k6h h SER 22 N 0.71 0.41 -0.02 3.88 0.87 -1.94 -1.25 113.55 116.20 2k6h h SER 22 Ca 0.39 0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 61.06 2k6h h SER 22 Cb 0.41 0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.42 2k6h h SER 22 CO -0.27 0.14 0.00 0.00 -0.53 0.00 0.00 176.83 176.17 2k6h h ALA 23 N 1.58 0.03 -0.35 6.23 0.00 -1.78 0.42 119.26 125.39 2k6h h ALA 23 Ca 0.47 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 55.07 2k6h h ALA 23 Cb 0.72 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2k6h h ALA 23 CO -0.41 -0.33 -0.42 0.27 0.00 0.00 0.00 179.25 178.37 2k6h h PHE 24 N -0.23 1.06 -0.85 0.00 -0.00 -1.50 -1.24 116.94 114.18 2k6h h PHE 24 Ca 0.01 -0.33 0.03 0.00 -0.00 0.00 0.00 57.97 57.68 2k6h h PHE 24 Cb 0.28 -0.22 -0.05 0.00 -0.00 0.00 0.00 35.95 35.96 2k6h h PHE 24 CO 0.02 1.14 0.55 0.82 -0.00 0.00 0.00 178.31 180.83 2k6h h ILE 25 N 0.71 1.15 -0.06 0.88 1.08 -1.19 -1.00 117.51 119.07 2k6h h ILE 25 Ca 0.05 -0.37 0.00 0.00 -0.39 0.00 0.00 64.86 64.15 2k6h h ILE 25 Cb 1.00 -0.02 -0.00 0.00 -3.07 0.00 0.00 36.82 34.73 2k6h h ILE 25 CO 0.10 0.20 0.04 0.00 -0.69 0.00 0.00 178.15 177.80 2k6h h ALA 26 N 1.34 0.08 -0.62 1.87 0.00 -0.60 0.66 119.26 121.99 2k6h h ALA 26 Ca 0.33 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.34 2k6h h ALA 26 Cb -0.02 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.67 2k6h h ALA 26 CO -0.11 -0.43 0.21 1.03 0.00 0.00 0.00 179.25 179.96 2k6h h SER 27 N 0.08 0.19 -0.21 0.00 0.87 -0.56 -1.66 113.55 112.27 2k6h h SER 27 Ca 0.02 0.09 -0.05 0.00 -1.23 0.00 0.00 61.79 60.62 2k6h h SER 27 Cb -0.01 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 2k6h h SER 27 CO -0.00 0.11 -0.06 0.58 -0.53 0.00 0.00 176.83 176.92 2k6h h VAL 28 N 0.38 1.29 -0.50 2.23 2.07 -0.92 -3.23 116.25 117.57 2k6h h VAL 28 Ca 0.32 -1.06 -0.03 0.00 0.82 0.00 0.00 66.70 66.75 2k6h h VAL 28 Cb 0.41 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 2k6h h VAL 28 CO -0.33 0.32 0.20 0.08 0.02 0.00 0.00 177.57 177.86 2k6h h ARG 29 N 0.13 0.72 -0.82 1.57 0.11 -0.19 -1.83 114.38 114.06 2k6h h ARG 29 Ca 0.05 -0.10 0.07 0.00 0.10 0.00 0.00 59.98 60.10 2k6h h ARG 29 Cb 0.52 -0.13 -0.05 0.00 1.11 0.00 0.00 29.97 31.41 2k6h h ARG 29 CO 0.02 0.59 0.54 0.87 0.10 0.00 0.00 179.97 182.10 2k6h h LYS 30 N 0.71 0.87 -0.31 0.08 1.79 -1.34 -1.55 116.57 116.82 2k6h h LYS 30 Ca 0.17 -0.05 -0.07 0.00 -2.18 0.00 0.00 60.65 58.52 2k6h h LYS 30 Cb 0.14 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 30.59 2k6h h LYS 30 CO -0.02 0.58 -0.07 0.22 -1.08 0.00 0.00 179.45 179.08 2k6h h ASP 31 N 0.90 0.59 0.05 0.86 3.58 -1.39 -0.66 116.42 120.35 2k6h h ASP 31 Ca 0.36 -0.36 -0.08 0.00 0.42 0.00 0.00 57.03 57.36 2k6h h ASP 31 Cb 0.24 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.12 2k6h h ASP 31 CO -0.13 0.82 -0.26 1.62 -2.88 0.00 0.00 179.24 178.41 2k6h h VAL 32 N 0.36 1.25 0.00 2.25 3.04 -1.43 -2.07 116.25 119.65 2k6h h VAL 32 Ca 0.08 -1.20 -0.05 0.00 -1.01 0.00 0.00 66.70 64.51 2k6h h VAL 32 Cb 0.55 1.40 -0.01 0.00 -2.01 0.00 0.00 31.29 31.23 2k6h h VAL 32 CO 0.03 0.37 -0.25 0.40 -1.01 0.00 0.00 177.57 177.11 2k6h h ILE 33 N 0.31 0.86 -0.98 3.17 2.04 -0.99 -1.64 117.51 120.28 2k6h h ILE 33 Ca 0.05 -0.96 0.07 0.00 1.00 0.00 0.00 64.86 65.01 2k6h h ILE 33 Cb 0.62 1.57 -0.07 0.00 -0.74 0.00 0.00 36.82 38.21 2k6h h ILE 33 CO 0.04 0.24 0.63 0.50 0.00 0.00 0.00 178.15 179.57 2k6h h LYS 34 N 0.00 1.09 0.00 2.37 3.64 -0.38 -3.19 116.57 120.10 2k6h h LYS 34 Ca -0.00 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.28 2k6h h LYS 34 Cb 0.55 -0.25 -0.07 0.00 -0.41 0.00 0.00 32.23 32.06 2k6h h LYS 34 CO 0.03 0.72 -0.52 -2.39 -2.27 0.00 0.00 179.45 175.02 2k6h n HIS 35 N -4.54 0.00 -1.14 1.91 1.44 -1.07 -5.05 115.22 106.77 2k6h n HIS 35 Ca 0.15 -1.20 -0.30 0.00 -2.01 0.00 0.00 57.72 54.36 2k6h n HIS 35 Cb 0.20 -0.21 0.25 0.00 0.12 0.00 0.00 29.99 30.35 2k6h n HIS 35 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2k6h s THR 37 N -3.09 3.10 -0.15 0.00 2.01 0.20 -4.84 115.64 112.86 2k6h s THR 37 Ca 0.72 -0.85 -0.18 0.00 0.31 0.00 0.00 61.69 61.69 2k6h s THR 37 Cb -0.07 -2.26 -0.04 0.00 0.01 0.00 0.00 72.50 70.14 2k6h s THR 37 CO 0.56 0.49 0.48 -1.81 -0.69 0.00 0.00 174.62 173.64 2k6h s ASP 38 N -1.04 6.61 -0.14 3.53 1.01 -1.26 -1.34 116.67 124.04 2k6h s ASP 38 Ca 0.13 0.73 -0.00 0.00 0.71 0.00 0.00 52.55 54.12 2k6h s ASP 38 Cb -0.11 -2.28 -0.01 0.00 1.01 0.00 0.00 42.92 41.53 2k6h s ASP 38 CO 0.03 -0.06 -0.14 -2.28 0.21 0.00 0.00 175.17 172.93 2k6h s HIS 39 N 1.01 2.80 0.57 4.23 5.65 -1.26 -5.01 115.29 123.27 2k6h s HIS 39 Ca 0.24 -0.73 -0.21 0.00 0.25 0.00 0.00 55.06 54.61 2k6h s HIS 39 Cb -0.15 -1.85 -0.04 0.00 -1.18 0.00 0.00 32.58 29.36 2k6h s HIS 39 CO 0.10 -0.27 1.34 0.15 -0.65 0.00 0.00 174.74 175.40 2k6h s LYS 40 N 0.46 3.03 0.00 2.88 1.02 -1.26 -2.68 119.74 123.19 2k6h s LYS 40 Ca -0.10 2.18 0.00 0.00 0.02 0.00 0.00 55.97 58.07 2k6h s LYS 40 Cb -0.16 -2.17 0.00 0.00 -0.52 0.00 0.00 37.83 34.98 2k6h s LYS 40 CO 0.05 -1.26 0.00 0.41 -0.92 0.00 0.00 175.35 173.63 2k6h n GLY 41 N 0.74 2.56 3.59 -3.33 0.00 -1.26 -4.97 105.19 102.51 2k6h n GLY 41 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 2k6h n GLY 41 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k6h s ILE 42 N -2.25 4.95 -0.03 -0.61 1.01 -1.09 -4.25 121.20 118.93 2k6h s ILE 42 Ca 0.00 0.04 -0.22 0.00 0.00 0.00 0.00 60.65 60.47 2k6h s ILE 42 Cb 0.00 -3.30 -0.15 0.00 0.01 0.00 0.00 42.46 39.02 2k6h s ILE 42 CO 0.00 0.35 0.96 0.15 0.00 0.00 0.00 174.94 176.41 2k6h h PHE 43 N 7.66 -0.32 -4.02 3.97 3.57 -1.94 -3.43 116.94 122.42 2k6h h PHE 43 Ca -0.37 -0.01 -0.51 0.00 3.53 0.00 0.00 57.97 60.61 2k6h h PHE 43 Cb 1.17 0.11 0.07 0.00 2.79 0.00 0.00 35.95 40.09 2k6h h PHE 43 CO 0.66 0.05 0.49 1.14 -2.23 0.00 0.00 178.31 178.41 2k6h s GLN 44 N -3.85 3.60 0.94 1.11 0.00 -1.26 -5.02 119.66 115.18 2k6h s GLN 44 Ca -0.13 1.79 -0.11 0.00 -0.00 0.00 0.00 55.36 56.91 2k6h s GLN 44 Cb 0.01 -2.30 0.12 0.00 0.00 0.00 0.00 33.01 30.84 2k6h s GLN 44 CO 0.46 -0.69 0.92 -2.30 0.00 0.00 0.00 175.29 173.69 2k6h n PRO 45 N -0.72 -0.51 -4.60 9.60 -0.02 -1.26 -4.78 135.00 132.71 2k6h n PRO 45 Ca 0.09 -0.09 -0.26 0.00 -2.02 0.00 0.00 63.50 61.21 2k6h n PRO 45 Cb 0.48 -2.22 -0.14 0.00 -0.02 0.00 0.00 33.50 31.61 2k6h n PRO 45 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2k6h s VAL 46 N -2.56 1.77 0.71 -1.45 1.01 -0.45 -1.80 120.40 117.63 2k6h s VAL 46 Ca 0.64 -1.32 -0.14 0.00 0.00 0.00 0.00 61.98 61.17 2k6h s VAL 46 Cb -0.22 -1.55 0.03 0.00 0.00 0.00 0.00 36.38 34.63 2k6h s VAL 46 CO 0.61 0.17 1.12 -0.76 0.00 0.00 0.00 175.10 176.25 2k6h s LEU 47 N -1.37 3.27 0.99 3.92 1.43 -0.56 -0.63 118.68 125.74 2k6h s LEU 47 Ca 0.08 2.03 -0.12 0.00 -1.03 0.00 0.00 54.13 55.09 2k6h s LEU 47 Cb -0.09 -4.55 0.19 0.00 0.03 0.00 0.00 46.19 41.76 2k6h s LEU 47 CO 0.02 -1.90 1.08 -2.16 0.23 0.00 0.00 176.35 173.62 2k6h s PRO 48 N -4.27 0.45 0.86 1.29 0.04 -1.26 -4.22 135.00 127.89 2k6h s PRO 48 Ca 0.67 0.87 -0.11 0.00 0.04 0.00 0.00 61.00 62.47 2k6h s PRO 48 Cb -0.21 -1.71 0.11 0.00 0.04 0.00 0.00 34.50 32.73 2k6h s PRO 48 CO 0.46 -2.81 1.14 -1.25 0.04 0.00 0.00 177.00 174.58 2k6h s PRO 49 N -4.77 1.41 -1.19 0.56 0.04 -1.26 -4.66 135.00 125.14 2k6h s PRO 49 Ca 0.66 1.50 -0.17 0.00 0.04 0.00 0.00 61.00 63.02 2k6h s PRO 49 Cb -0.21 -1.78 0.11 0.00 0.04 0.00 0.00 34.50 32.67 2k6h s PRO 49 CO 0.59 -2.33 1.52 -2.00 0.04 0.00 0.00 177.00 174.82 2k6h s GLU 50 N -4.62 3.93 0.85 4.56 -6.30 -1.26 -4.95 118.70 110.91 2k6h s GLU 50 Ca 0.66 -2.06 -0.12 0.00 -2.50 0.00 0.00 54.97 50.95 2k6h s GLU 50 Cb -0.22 -5.27 0.10 0.00 0.00 0.00 0.00 34.13 28.74 2k6h s GLU 50 CO 0.56 -2.02 1.10 0.15 0.02 0.00 0.00 175.26 175.07 2k6h s LYS 51 N 3.20 1.62 0.07 4.30 -0.14 -1.26 -4.99 119.74 122.52 2k6h s LYS 51 Ca 0.46 0.71 -0.25 0.00 -1.36 0.00 0.00 55.97 55.53 2k6h s LYS 51 Cb -0.00 -1.86 -0.16 0.00 -1.68 0.00 0.00 37.83 34.13 2k6h s LYS 51 CO 0.01 -1.96 1.62 -0.22 -0.76 0.00 0.00 175.35 174.03 2k6h h LYS 52 N -1.34 -0.13 -4.59 1.68 3.64 -2.06 -3.42 116.57 110.35 2k6h h LYS 52 Ca -0.48 0.01 -0.63 0.00 -1.27 0.00 0.00 60.65 58.28 2k6h h LYS 52 Cb 1.28 0.03 -0.37 0.00 -0.41 0.00 0.00 32.23 32.76 2k6h h LYS 52 CO 0.57 -0.00 -0.80 0.14 -2.27 0.00 0.00 179.45 177.09 2k6h s VAL 53 N -5.78 1.74 -0.25 2.00 -7.23 -1.26 -5.10 120.40 104.53 2k6h s VAL 53 Ca -0.14 -1.23 -0.29 0.00 -1.81 0.00 0.00 61.98 58.51 2k6h s VAL 53 Cb 0.05 -1.88 -0.01 0.00 0.56 0.00 0.00 36.38 35.09 2k6h s VAL 53 CO 0.65 0.04 1.43 -2.16 -0.31 0.00 0.00 175.10 174.75 2k6h s PRO 54 N 1.32 3.91 0.25 4.82 0.04 -1.26 -4.90 135.00 139.18 2k6h s PRO 54 Ca -0.04 1.48 0.24 0.00 0.04 0.00 0.00 61.00 62.72 2k6h s PRO 54 Cb -0.18 -3.93 0.46 0.00 0.04 0.00 0.00 34.50 30.89 2k6h s PRO 54 CO -0.07 -1.13 1.52 1.49 0.04 0.00 0.00 177.00 178.84 2k6h h GLU 55 N 9.74 0.00 -2.78 4.56 4.81 -2.00 -3.43 114.58 125.48 2k6h h GLU 55 Ca -0.29 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.63 2k6h h GLU 55 Cb 1.12 0.00 -0.36 0.00 0.63 0.00 0.00 28.75 30.15 2k6h h GLU 55 CO 1.01 0.00 -0.62 -0.48 -0.73 0.00 0.00 179.01 178.19 2k6h s LEU 56 N -5.02 -0.09 0.28 1.64 0.05 -1.26 -4.92 118.68 109.36 2k6h s LEU 56 Ca 0.07 0.03 -0.10 0.00 0.05 0.00 0.00 54.13 54.18 2k6h s LEU 56 Cb 0.10 0.35 0.00 0.00 -2.05 0.00 0.00 46.19 44.59 2k6h s LEU 56 CO 0.67 -0.29 0.50 -1.66 -0.55 0.00 0.00 176.35 175.02 2k6h s TRP 57 N 2.32 0.52 0.12 3.48 1.48 -1.26 -4.75 118.94 120.84 2k6h s TRP 57 Ca 0.05 -0.87 0.07 0.00 -1.06 0.00 0.00 56.10 54.28 2k6h s TRP 57 Cb -0.14 0.17 -0.04 0.00 -1.16 0.00 0.00 33.47 32.30 2k6h s TRP 57 CO -0.09 -1.07 -0.05 -0.51 -4.06 0.00 0.00 176.95 171.17 2k6h s LEU 58 N -3.07 3.22 -0.11 -4.66 1.43 -1.01 -4.78 118.68 109.71 2k6h s LEU 58 Ca 0.24 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 53.01 2k6h s LEU 58 Cb -0.01 -1.96 0.02 0.00 0.03 0.00 0.00 46.19 44.27 2k6h s LEU 58 CO 0.12 0.15 -0.09 -0.31 0.23 0.00 0.00 176.35 176.45 2k6h s TYR 59 N -1.38 1.54 -0.16 0.29 1.51 -1.26 -0.71 117.35 117.19 2k6h s TYR 59 Ca 0.24 -0.75 0.00 0.00 -1.01 0.00 0.00 57.07 55.56 2k6h s TYR 59 Cb -0.11 -1.23 0.03 0.00 -0.11 0.00 0.00 41.96 40.54 2k6h s TYR 59 CO 0.16 -0.48 -0.11 0.99 -1.11 0.00 0.00 175.55 175.00 2k6h s THR 60 N 1.48 1.46 -0.43 -0.71 2.01 -0.30 -1.44 115.64 117.71 2k6h s THR 60 Ca 0.01 -0.70 -0.09 0.00 0.31 0.00 0.00 61.69 61.22 2k6h s THR 60 Cb -0.13 -1.47 0.09 0.00 0.01 0.00 0.00 72.50 71.00 2k6h s THR 60 CO -0.06 0.31 0.28 -0.70 -0.69 0.00 0.00 174.62 173.76 2k6h s GLU 61 N 1.51 2.58 -0.14 4.92 2.12 0.34 -0.74 118.70 129.30 2k6h s GLU 61 Ca 0.02 -1.52 -0.29 0.00 0.36 0.00 0.00 54.97 53.54 2k6h s GLU 61 Cb -0.14 -3.81 -0.02 0.00 0.26 0.00 0.00 34.13 30.42 2k6h s GLU 61 CO -0.09 -1.00 1.27 -0.51 -0.54 0.00 0.00 175.26 174.38 2k6h s LEU 62 N 1.41 4.21 -0.02 2.70 1.02 -0.91 -0.95 118.68 126.13 2k6h s LEU 62 Ca 0.04 1.74 0.03 0.00 0.02 0.00 0.00 54.13 55.95 2k6h s LEU 62 Cb -0.24 -3.54 -0.03 0.00 0.02 0.00 0.00 46.19 42.40 2k6h s LEU 62 CO 0.02 -0.73 -0.08 -0.75 0.02 0.00 0.00 176.35 174.82 2k6h s LYS 63 N 3.25 2.59 0.28 1.70 2.47 -0.46 -2.24 119.74 127.33 2k6h s LYS 63 Ca 0.56 -0.67 0.03 0.00 -1.56 0.00 0.00 55.97 54.32 2k6h s LYS 63 Cb -0.23 -2.50 -0.01 0.00 -1.46 0.00 0.00 37.83 33.63 2k6h s LYS 63 CO 0.17 0.62 0.10 0.25 0.16 0.00 0.00 175.35 176.65 2k6h n THR 64 N 1.85 0.00 -0.04 3.43 -2.24 -0.18 -0.44 114.28 116.66 2k6h n THR 64 Ca -0.16 -1.67 -0.08 0.00 -2.27 0.00 0.00 64.05 59.87 2k6h n THR 64 Cb 0.53 0.61 -0.02 0.00 -2.10 0.00 0.00 70.33 69.34 2k6h n THR 64 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2k6h h ARG 65 N 0.00 -0.19 0.09 -0.78 9.65 -1.99 -3.33 114.38 117.83 2k6h h ARG 65 Ca -0.22 0.01 -0.36 0.00 -1.10 0.00 0.00 59.98 58.31 2k6h h ARG 65 Cb 0.85 0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 29.44 2k6h h ARG 65 CO 0.35 -0.13 -2.08 2.41 2.80 0.00 0.00 179.97 183.32 2k6h n THR 66 N -5.34 1.70 -3.78 0.20 -1.04 -1.26 -5.05 114.28 99.70 2k6h n THR 66 Ca -0.01 -0.66 -0.06 0.00 -2.04 0.00 0.00 64.05 61.28 2k6h n THR 66 Cb 0.26 -1.58 -0.01 0.00 -1.82 0.00 0.00 70.33 67.18 2k6h n THR 66 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2k6h n SER 67 N -3.38 -0.52 -3.81 8.00 7.64 -1.25 -5.14 113.62 115.16 2k6h n SER 67 Ca -0.33 -1.75 -0.09 0.00 1.01 0.00 0.00 58.87 57.70 2k6h n SER 67 Cb 1.04 0.98 -0.04 0.00 -1.01 0.00 0.00 64.21 65.18 2k6h n SER 67 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2k6h s SER 68 N -1.86 -0.24 -0.01 6.43 1.04 -1.26 -1.01 113.70 116.80 2k6h s SER 68 Ca 0.12 -0.58 0.02 0.00 0.48 0.00 0.00 55.95 55.98 2k6h s SER 68 Cb -0.00 0.62 -0.00 0.00 0.10 0.00 0.00 66.02 66.73 2k6h s SER 68 CO 0.08 -1.14 -0.05 0.27 0.98 0.00 0.00 173.24 173.39 2k6h s ILE 69 N -3.91 0.40 -0.62 -1.02 -4.36 -0.95 -3.88 121.20 106.86 2k6h s ILE 69 Ca 0.12 -0.20 -0.20 0.00 -0.26 0.00 0.00 60.65 60.11 2k6h s ILE 69 Cb -0.02 -0.35 0.10 0.00 1.25 0.00 0.00 42.46 43.44 2k6h s ILE 69 CO 0.02 0.12 0.78 -0.89 0.24 0.00 0.00 174.94 175.20 2k6h s THR 70 N -0.05 4.71 -0.07 8.37 2.01 -1.13 -2.15 115.64 127.33 2k6h s THR 70 Ca 0.01 -0.87 -0.30 0.00 0.31 0.00 0.00 61.69 60.84 2k6h s THR 70 Cb -0.03 -4.54 -0.02 0.00 0.01 0.00 0.00 72.50 67.91 2k6h s THR 70 CO -0.00 -1.22 1.11 -1.48 -0.69 0.00 0.00 174.62 172.34 2k6h s LEU 71 N 2.99 4.27 -0.25 4.42 2.34 0.08 -1.39 118.68 131.15 2k6h s LEU 71 Ca 0.14 1.70 -0.13 0.00 0.06 0.00 0.00 54.13 55.90 2k6h s LEU 71 Cb -0.22 -3.56 -0.04 0.00 -0.56 0.00 0.00 46.19 41.81 2k6h s LEU 71 CO 0.07 -0.51 0.29 0.00 -1.06 0.00 0.00 176.35 175.14 2k6h s ALA 72 N 2.04 3.56 -0.37 1.48 0.00 -0.29 -1.15 121.76 127.03 2k6h s ALA 72 Ca 0.53 -0.84 -0.07 0.00 0.00 0.00 0.00 51.96 51.57 2k6h s ALA 72 Cb -0.22 -2.57 0.05 0.00 0.00 0.00 0.00 23.12 20.39 2k6h s ALA 72 CO 0.21 -0.48 0.17 0.42 0.00 0.00 0.00 175.76 176.08 2k6h s ILE 73 N 1.66 3.94 -0.35 0.00 -1.09 0.12 -1.80 121.20 123.68 2k6h s ILE 73 Ca 0.12 -1.25 -0.29 0.00 -2.23 0.00 0.00 60.65 57.01 2k6h s ILE 73 Cb -0.15 -3.32 -0.01 0.00 -1.58 0.00 0.00 42.46 37.40 2k6h s ILE 73 CO 0.09 -0.32 1.68 -0.60 -1.23 0.00 0.00 174.94 174.56 2k6h s ARG 74 N 1.40 3.42 0.46 2.79 3.52 -0.08 -2.39 118.95 128.07 2k6h s ARG 74 Ca 0.01 1.30 0.12 0.00 -0.13 0.00 0.00 55.73 57.03 2k6h s ARG 74 Cb -0.21 -4.14 1.06 0.00 -1.56 0.00 0.00 34.95 30.10 2k6h s ARG 74 CO 0.02 -1.75 2.09 0.00 -0.81 0.00 0.00 175.30 174.86 2k6h h MET 75 N 12.16 0.28 0.00 5.12 -0.00 -1.87 -1.09 114.93 129.54 2k6h h MET 75 Ca -0.32 -0.02 -0.00 0.00 -0.00 0.00 0.00 59.70 59.36 2k6h h MET 75 Cb 1.15 -0.06 -0.00 0.00 -0.00 0.00 0.00 31.60 32.69 2k6h h MET 75 CO 1.04 0.19 -0.02 -0.44 -0.00 0.00 0.00 176.91 177.68 2k6h h ASP 76 N 0.29 0.00 0.00 -0.10 5.19 -1.90 -1.86 116.42 118.03 2k6h h ASP 76 Ca 0.10 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.51 2k6h h ASP 76 Cb 0.03 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.54 2k6h h ASP 76 CO -0.02 0.02 0.00 0.59 -3.12 0.00 0.00 179.24 176.71 2k6h n ASN 77 N -3.26 0.56 -3.96 6.45 5.03 -1.14 -4.75 115.26 114.20 2k6h n ASN 77 Ca -0.02 -1.25 -0.33 0.00 0.87 0.00 0.00 54.58 53.85 2k6h n ASN 77 Cb 0.14 0.00 0.01 0.00 -1.02 0.00 0.00 39.78 38.91 2k6h n ASN 77 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2k6h n LEU 78 N -0.12 -0.14 -4.27 3.41 4.77 -0.46 -4.97 117.00 115.21 2k6h n LEU 78 Ca 0.00 -0.92 -0.27 0.00 -0.03 0.00 0.00 56.01 54.80 2k6h n LEU 78 Cb 0.37 -1.11 -0.14 0.00 -2.33 0.00 0.00 43.42 40.21 2k6h n LEU 78 CO 0.00 0.57 -0.53 -0.47 -1.33 0.00 0.00 177.39 175.63 2k6h s TYR 79 N -3.88 1.94 -0.86 -1.77 5.04 -0.93 -4.91 117.35 111.97 2k6h s TYR 79 Ca 0.33 -0.38 -0.23 0.00 -2.44 0.00 0.00 57.07 54.35 2k6h s TYR 79 Cb -0.19 -1.15 0.06 0.00 0.35 0.00 0.00 41.96 41.04 2k6h s TYR 79 CO 0.69 0.10 1.25 -1.17 -1.34 0.00 0.00 175.55 175.08 2k6h s LEU 80 N -1.21 3.89 0.19 6.97 0.20 -1.26 -0.91 118.68 126.56 2k6h s LEU 80 Ca 0.08 -1.23 0.04 0.00 0.69 0.00 0.00 54.13 53.72 2k6h s LEU 80 Cb -0.09 -2.50 0.09 0.00 -0.43 0.00 0.00 46.19 43.25 2k6h s LEU 80 CO 0.02 -1.49 1.44 -0.37 -0.29 0.00 0.00 176.35 175.66 2k6h h VAL 81 N 6.26 1.48 -2.10 1.68 -1.51 -1.74 -3.45 116.25 116.86 2k6h h VAL 81 Ca -0.02 -2.46 0.26 0.00 -1.23 0.00 0.00 66.70 63.25 2k6h h VAL 81 Cb 1.03 2.34 -0.07 0.00 -2.13 0.00 0.00 31.29 32.46 2k6h h VAL 81 CO 1.28 0.72 0.72 -0.83 -1.23 0.00 0.00 177.57 178.23 2k6h s GLY 82 N -4.47 -0.14 0.03 5.19 0.00 -1.25 -0.80 107.32 105.87 2k6h s GLY 82 Ca -0.03 0.11 0.01 0.00 0.00 0.00 0.00 44.72 44.81 2k6h s GLY 82 CO 0.81 2.31 -0.05 -0.11 0.00 0.00 0.00 173.10 176.06 2k6h s PHE 83 N -2.37 0.45 -0.07 1.90 -0.12 0.11 -1.14 117.98 116.74 2k6h s PHE 83 Ca 0.20 -0.48 -0.19 0.00 -0.05 0.00 0.00 56.93 56.41 2k6h s PHE 83 Cb 0.00 -0.29 -0.05 0.00 -0.63 0.00 0.00 43.02 42.06 2k6h s PHE 83 CO 0.01 -0.13 0.52 0.50 -0.05 0.00 0.00 175.22 176.07 2k6h s ARG 84 N -1.42 4.30 0.77 1.99 3.52 -0.48 -0.89 118.95 126.73 2k6h s ARG 84 Ca -0.12 0.55 -0.11 0.00 -0.13 0.00 0.00 55.73 55.91 2k6h s ARG 84 Cb -0.09 -3.39 0.05 0.00 -1.56 0.00 0.00 34.95 29.96 2k6h s ARG 84 CO -0.00 0.26 1.10 0.95 -0.81 0.00 0.00 175.30 176.79 2k6h s THR 85 N 0.26 3.21 0.10 4.11 -4.23 -0.67 -2.85 115.64 115.57 2k6h s THR 85 Ca 0.28 0.39 -0.28 0.00 -1.18 0.00 0.00 61.69 60.91 2k6h s THR 85 Cb -0.16 -3.22 -0.12 0.00 1.34 0.00 0.00 72.50 70.34 2k6h s THR 85 CO 0.13 -0.51 1.65 -0.65 -0.54 0.00 0.00 174.62 174.70 2k6h h PRO 86 N -0.94 -0.47 -0.45 3.99 0.11 -1.79 -3.34 132.00 129.10 2k6h h PRO 86 Ca -0.46 0.03 -0.32 0.00 0.11 0.00 0.00 66.00 65.36 2k6h h PRO 86 Cb 1.26 0.11 -0.37 0.00 0.11 0.00 0.00 31.00 32.11 2k6h h PRO 86 CO 0.61 -0.32 -0.93 0.41 -0.21 0.00 0.00 178.00 177.56 2k6h n GLY 87 N -1.36 3.81 0.00 -0.55 0.00 -1.26 -4.96 105.19 100.88 2k6h n GLY 87 Ca -0.08 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.27 2k6h n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k6h n GLY 88 N -0.57 1.90 3.82 -0.02 0.00 -1.25 -5.09 105.19 103.98 2k6h n GLY 88 Ca 0.22 -0.14 -0.08 0.00 0.00 0.00 0.00 46.02 46.02 2k6h n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k6h s VAL 89 N 1.87 0.00 -0.10 1.61 0.11 -1.26 -4.93 120.40 117.71 2k6h s VAL 89 Ca 0.00 -0.96 -0.28 0.00 -2.93 0.00 0.00 61.98 57.81 2k6h s VAL 89 Cb 0.00 -2.79 -0.02 0.00 -1.53 0.00 0.00 36.38 32.04 2k6h s VAL 89 CO 0.00 0.00 0.91 0.26 -3.33 0.00 0.00 175.10 172.94 2k6h s TRP 90 N -2.46 3.53 0.00 1.54 0.51 -1.26 -1.67 118.94 119.13 2k6h s TRP 90 Ca 0.16 1.48 -0.10 0.00 -2.12 0.00 0.00 56.10 55.51 2k6h s TRP 90 Cb -0.05 -3.07 -0.05 0.00 -0.81 0.00 0.00 33.47 29.49 2k6h s TRP 90 CO 0.10 -0.14 0.33 -1.58 -0.51 0.00 0.00 176.95 175.15 2k6h s TRP 91 N 1.67 3.64 0.06 -1.98 0.52 -0.07 -2.87 118.94 119.90 2k6h s TRP 91 Ca 0.45 0.77 0.05 0.00 0.02 0.00 0.00 56.10 57.39 2k6h s TRP 91 Cb -0.18 -2.13 -0.03 0.00 -1.15 0.00 0.00 33.47 29.98 2k6h s TRP 91 CO 0.19 0.62 -0.14 -2.00 0.02 0.00 0.00 176.95 175.63 2k6h s GLU 92 N -1.44 0.88 0.18 4.98 2.12 -0.07 -0.72 118.70 124.64 2k6h s GLU 92 Ca 0.25 -0.88 -0.30 0.00 0.36 0.00 0.00 54.97 54.41 2k6h s GLU 92 Cb -0.14 -0.90 -0.08 0.00 0.26 0.00 0.00 34.13 33.27 2k6h s GLU 92 CO 0.14 0.21 0.94 -0.06 -0.54 0.00 0.00 175.26 175.95 2k6h s PHE 93 N -1.09 3.91 -5.00 5.30 0.40 0.02 -0.40 117.98 121.13 2k6h s PHE 93 Ca -0.00 1.86 0.00 0.00 -0.60 0.00 0.00 56.93 58.19 2k6h s PHE 93 Cb -0.09 -3.01 0.00 0.00 0.51 0.00 0.00 43.02 40.43 2k6h s PHE 93 CO 0.02 0.35 0.00 0.41 0.70 0.00 0.00 175.22 176.70 2k6h n GLY 94 N 1.81 1.01 3.44 4.36 0.00 -1.20 -4.88 105.19 109.74 2k6h n GLY 94 Ca -0.00 -1.94 -0.09 0.00 0.00 0.00 0.00 46.02 43.99 2k6h n GLY 94 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k6h s LYS 95 N -1.30 0.55 0.00 1.61 2.36 -1.26 -0.81 119.74 120.88 2k6h s LYS 95 Ca 0.00 0.97 0.00 0.00 -2.55 0.00 0.00 55.97 54.39 2k6h s LYS 95 Cb 0.00 0.07 0.00 0.00 -1.05 0.00 0.00 37.83 36.85 2k6h s LYS 95 CO 0.00 -0.15 0.00 -3.47 1.55 0.00 0.00 175.35 173.28 2k6h n ASP 96 N 4.15 0.00 -4.14 1.43 2.03 -1.26 -4.56 116.55 114.21 2k6h n ASP 96 Ca -0.21 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 54.72 2k6h n ASP 96 Cb 0.57 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.88 2k6h n ASP 96 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2k6h s GLY 97 N 0.00 2.38 0.03 0.27 0.00 -1.26 -5.05 107.32 103.69 2k6h s GLY 97 Ca 0.00 -3.05 0.02 0.00 0.00 0.00 0.00 44.72 41.68 2k6h s GLY 97 CO 0.00 1.11 -0.06 0.99 0.00 0.00 0.00 173.10 175.14 2k6h s ASP 98 N 1.27 0.63 -1.42 1.64 1.01 -1.26 -5.06 116.67 113.48 2k6h s ASP 98 Ca 0.14 -0.41 -0.15 0.00 0.71 0.00 0.00 52.55 52.85 2k6h s ASP 98 Cb -0.20 0.02 0.05 0.00 1.01 0.00 0.00 42.92 43.80 2k6h s ASP 98 CO -0.04 -0.15 2.12 0.41 0.21 0.00 0.00 175.17 177.72 2k6h n THR 99 N 1.90 3.59 -1.81 -1.27 -1.04 -1.26 -4.98 114.28 109.41 2k6h n THR 99 Ca -0.20 -3.28 -0.38 0.00 -2.04 0.00 0.00 64.05 58.14 2k6h n THR 99 Cb 0.56 -2.55 0.04 0.00 -1.82 0.00 0.00 70.33 66.55 2k6h n THR 99 CO 0.00 0.00 0.00 -1.38 -0.64 0.00 0.00 175.07 173.05 2k6h s HIS 100 N 3.26 2.33 0.00 -1.42 -3.43 -1.26 -4.96 115.29 109.82 2k6h s HIS 100 Ca 0.48 1.37 0.00 0.00 -0.80 0.00 0.00 55.06 56.11 2k6h s HIS 100 Cb 0.12 -3.80 0.00 0.00 -1.43 0.00 0.00 32.58 27.47 2k6h s HIS 100 CO -0.05 -2.84 0.09 1.47 -2.00 0.00 0.00 174.74 171.40 2k6h n LEU 101 N -0.89 0.00 -4.72 5.38 -0.00 -1.26 -5.08 117.00 110.43 2k6h n LEU 101 Ca 0.10 -0.00 -0.34 0.00 -0.00 0.00 0.00 56.01 55.76 2k6h n LEU 101 Cb 0.45 0.00 0.10 0.00 -0.00 0.00 0.00 43.42 43.96 2k6h n LEU 101 CO 0.53 0.01 0.81 -0.76 -0.00 0.00 0.00 177.39 177.98 2k6h s LEU 102 N 0.00 3.32 -0.19 1.47 2.01 -1.26 -4.88 118.68 119.14 2k6h s LEU 102 Ca 0.00 2.40 -0.04 0.00 0.01 0.00 0.00 54.13 56.50 2k6h s LEU 102 Cb 0.00 -4.59 -0.05 0.00 0.01 0.00 0.00 46.19 41.55 2k6h s LEU 102 CO 0.00 -2.32 2.87 0.61 1.01 0.00 0.00 176.35 178.53 2k6h n GLY 103 N 0.49 3.52 0.00 -3.19 0.00 -1.26 -4.71 105.19 100.04 2k6h n GLY 103 Ca 0.14 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.93 2k6h n GLY 103 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2k6h n ASP 104 N 1.51 3.42 -4.30 1.61 2.03 -1.26 -4.98 116.55 114.59 2k6h n ASP 104 Ca 0.36 0.00 -0.45 0.00 0.52 0.00 0.00 54.79 55.22 2k6h n ASP 104 Cb 0.69 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 41.05 2k6h n ASP 104 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2k6h s ASN 105 N 1.93 6.41 1.10 1.67 2.47 -1.26 -5.04 114.94 122.23 2k6h s ASN 105 Ca 0.00 -2.40 -0.19 0.00 0.42 0.00 0.00 52.86 50.69 2k6h s ASN 105 Cb 0.00 -2.17 0.26 0.00 -1.45 0.00 0.00 41.25 37.89 2k6h s ASN 105 CO 0.00 -0.64 1.26 -2.84 -3.72 0.00 0.00 177.10 171.15 2k6h s PRO 106 N 0.63 -0.50 0.06 0.43 0.02 -1.26 -4.91 135.00 129.46 2k6h s PRO 106 Ca 0.13 -0.40 0.02 0.00 0.02 0.00 0.00 61.00 60.76 2k6h s PRO 106 Cb -0.18 -1.71 -0.03 0.00 0.02 0.00 0.00 34.50 32.60 2k6h s PRO 106 CO -0.05 -3.17 -0.07 -0.98 -0.33 0.00 0.00 177.00 172.40 2k6h s ARG 107 N -5.78 0.61 0.45 5.54 3.03 -1.14 -5.05 118.95 116.61 2k6h s ARG 107 Ca 0.75 -0.94 -0.15 0.00 2.03 0.00 0.00 55.73 57.41 2k6h s ARG 107 Cb -0.04 -0.22 -0.08 0.00 -1.03 0.00 0.00 34.95 33.58 2k6h s ARG 107 CO 0.55 0.02 0.89 1.67 -1.13 0.00 0.00 175.30 177.29 2k6h s TRP 108 N -2.18 3.43 0.21 5.89 1.48 -1.26 -0.89 118.94 125.62 2k6h s TRP 108 Ca -0.03 1.33 0.08 0.00 -1.06 0.00 0.00 56.10 56.42 2k6h s TRP 108 Cb -0.05 -2.67 0.13 0.00 -1.16 0.00 0.00 33.47 29.72 2k6h s TRP 108 CO -0.02 -0.21 1.47 -0.07 -4.06 0.00 0.00 176.95 174.07 2k6h h LEU 109 N 1.28 0.06 0.00 -4.66 3.38 -0.82 -3.44 115.31 111.11 2k6h h LEU 109 Ca -0.47 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.45 2k6h h LEU 109 Cb 1.18 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2k6h h LEU 109 CO 0.63 0.80 0.00 0.61 0.09 0.00 0.00 178.44 180.57 2k6h n GLY 110 N 0.67 0.74 3.14 0.83 0.00 0.01 -5.03 105.19 105.54 2k6h n GLY 110 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 2k6h n GLY 110 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2k6h s PHE 111 N -2.25 0.36 0.49 1.61 0.08 -1.11 -4.77 117.98 112.39 2k6h s PHE 111 Ca 0.00 -0.85 0.07 0.00 0.12 0.00 0.00 56.93 56.27 2k6h s PHE 111 Cb 0.00 -0.25 0.02 0.00 -0.57 0.00 0.00 43.02 42.22 2k6h s PHE 111 CO 0.00 -0.44 0.46 0.20 -0.10 0.00 0.00 175.22 175.34 2k6h s GLY 112 N -2.86 2.15 -0.68 4.36 0.00 -1.26 -3.28 107.32 105.75 2k6h s GLY 112 Ca 0.06 -1.71 -0.17 0.00 0.00 0.00 0.00 44.72 42.89 2k6h s GLY 112 CO -0.10 -1.78 0.75 -0.32 0.00 0.00 0.00 173.10 171.65 2k6h s GLY 113 N -4.28 2.02 -0.01 0.20 0.00 -1.26 -4.95 107.32 99.04 2k6h s GLY 113 Ca 0.46 -2.57 -0.09 0.00 0.00 0.00 0.00 44.72 42.52 2k6h s GLY 113 CO 0.27 1.52 0.19 1.09 0.00 0.00 0.00 173.10 176.17 2k6h s ARG 114 N 2.02 0.49 0.31 2.90 3.03 -1.26 -5.07 118.95 121.38 2k6h s ARG 114 Ca 0.14 -0.25 0.03 0.00 2.03 0.00 0.00 55.73 57.69 2k6h s ARG 114 Cb -0.19 0.21 0.62 0.00 -1.03 0.00 0.00 34.95 34.56 2k6h s ARG 114 CO 0.01 -0.12 1.88 0.10 -1.13 0.00 0.00 175.30 176.03 2k6h h TYR 115 N 4.41 1.01 0.00 5.89 -0.00 -1.98 -1.55 116.97 124.75 2k6h h TYR 115 Ca -0.30 0.03 -0.01 0.00 -0.00 0.00 0.00 58.73 58.45 2k6h h TYR 115 Cb 1.19 -0.33 -0.00 0.00 -0.00 0.00 0.00 36.73 37.59 2k6h h TYR 115 CO 0.55 0.45 -0.04 0.37 -0.00 0.00 0.00 178.16 179.49 2k6h h GLN 116 N 0.92 0.00 0.00 0.10 4.15 -1.87 -2.05 115.11 116.36 2k6h h GLN 116 Ca 0.44 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.86 2k6h h GLN 116 Cb 0.44 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.13 2k6h h GLN 116 CO -0.20 0.04 0.00 -3.47 -1.93 0.00 0.00 178.83 173.27 2k6h n ASP 117 N -3.75 0.46 0.00 -0.69 2.03 -0.58 -1.93 116.55 112.08 2k6h n ASP 117 Ca -0.03 0.59 0.00 0.00 0.52 0.00 0.00 54.79 55.87 2k6h n ASP 117 Cb 0.13 -0.69 0.00 0.00 -0.72 0.00 0.00 41.12 39.84 2k6h n ASP 117 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2k6h n LEU 118 N -1.98 0.37 -0.03 -2.67 4.77 -0.77 -4.70 117.00 112.00 2k6h n LEU 118 Ca 0.04 0.63 0.00 0.00 -0.03 0.00 0.00 56.01 56.65 2k6h n LEU 118 Cb 0.27 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2k6h n LEU 118 CO 0.21 -0.27 0.31 2.30 -1.33 0.00 0.00 177.39 178.62 2k6h n ILE 119 N -1.30 0.25 0.00 -0.08 -0.00 -1.26 -4.85 119.36 112.13 2k6h n ILE 119 Ca 0.00 -0.26 0.00 0.00 -0.00 0.00 0.00 62.75 62.49 2k6h n ILE 119 Cb 0.00 0.84 0.00 0.00 -0.00 0.00 0.00 39.64 40.48 2k6h n ILE 119 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2k6h n GLY 120 N -0.13 1.71 0.13 3.28 0.00 -0.81 -4.33 105.19 105.03 2k6h n GLY 120 Ca 0.00 0.10 -0.04 0.00 0.00 0.00 0.00 46.02 46.09 2k6h n GLY 120 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2k6h h ASN 121 N 0.00 0.11 -1.62 1.61 4.21 -1.96 -3.45 115.58 114.48 2k6h h ASN 121 Ca 0.00 -0.07 -0.59 0.00 1.21 0.00 0.00 56.30 56.85 2k6h h ASN 121 Cb 0.00 -0.03 -0.10 0.00 -1.12 0.00 0.00 38.32 37.07 2k6h h ASN 121 CO 0.00 0.77 -0.53 -0.54 -1.29 0.00 0.00 177.43 175.84 2k6h s LYS 122 N -3.48 2.14 0.00 0.81 3.01 -1.26 -5.17 119.74 115.79 2k6h s LYS 122 Ca -0.02 -1.93 0.00 0.00 -1.01 0.00 0.00 55.97 53.01 2k6h s LYS 122 Cb 0.12 -1.87 0.00 0.00 -1.01 0.00 0.00 37.83 35.07 2k6h s LYS 122 CO 0.79 -0.09 0.00 0.41 0.51 0.00 0.00 175.35 176.97 2k6h n GLY 123 N -1.15 3.24 0.00 -3.33 0.00 -1.26 -4.45 105.19 98.25 2k6h n GLY 123 Ca -0.02 -2.14 0.10 0.00 0.00 0.00 0.00 46.02 43.96 2k6h n GLY 123 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2k6h n LEU 124 N 0.00 0.00 0.06 0.99 -0.00 -1.26 -4.07 117.00 112.72 2k6h n LEU 124 Ca 0.00 0.47 0.13 0.00 -0.00 0.00 0.00 56.01 56.61 2k6h n LEU 124 Cb 0.00 -0.47 0.32 0.00 -0.00 0.00 0.00 43.42 43.27 2k6h n LEU 124 CO 0.00 -0.13 0.64 -1.84 -0.00 0.00 0.00 177.39 176.06 2k6h n GLU 125 N -1.47 0.22 0.00 1.47 -0.00 -1.26 -3.40 120.64 116.20 2k6h n GLU 125 Ca 0.06 0.12 0.15 0.00 -0.00 0.00 0.00 57.16 57.48 2k6h n GLU 125 Cb 0.24 -1.69 0.85 0.00 -0.00 0.00 0.00 31.44 30.84 2k6h n GLU 125 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 2k6h n THR 126 N -2.04 0.02 -4.96 3.84 -2.24 -1.26 -4.66 114.28 102.98 2k6h n THR 126 Ca 0.05 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.51 2k6h n THR 126 Cb 0.41 -0.53 -0.14 0.00 -2.10 0.00 0.00 70.33 67.98 2k6h n THR 126 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2k6h s VAL 127 N -2.17 2.75 0.52 2.28 -7.23 -1.22 -5.13 120.40 110.20 2k6h s VAL 127 Ca 0.40 -0.90 -0.13 0.00 -1.81 0.00 0.00 61.98 59.54 2k6h s VAL 127 Cb 0.20 -2.06 -0.06 0.00 0.56 0.00 0.00 36.38 35.02 2k6h s VAL 127 CO 0.38 0.55 0.93 -0.89 -0.31 0.00 0.00 175.10 175.76 2k6h s THR 128 N -0.73 4.67 0.49 5.32 2.01 -1.26 -4.71 115.64 121.43 2k6h s THR 128 Ca 0.12 0.90 0.04 0.00 0.31 0.00 0.00 61.69 63.06 2k6h s THR 128 Cb -0.10 -3.78 0.04 0.00 0.01 0.00 0.00 72.50 68.67 2k6h s THR 128 CO 0.01 -0.79 0.35 0.23 -0.69 0.00 0.00 174.62 173.73 2k6h n MET 129 N -1.89 0.78 0.00 4.92 2.81 -0.22 -4.92 117.12 118.60 2k6h n MET 129 Ca 0.05 -3.05 0.00 0.00 -1.81 0.00 0.00 57.70 52.89 2k6h n MET 129 Cb 0.54 0.34 0.00 0.00 -0.71 0.00 0.00 33.22 33.39 2k6h n MET 129 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2k6h n GLY 130 N -0.85 2.05 0.25 3.03 0.00 -1.26 -3.61 105.19 104.80 2k6h n GLY 130 Ca -0.02 -2.10 0.13 0.00 0.00 0.00 0.00 46.02 44.02 2k6h n GLY 130 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2k6h h ARG 131 N 0.00 0.00 -0.10 1.61 0.11 -1.92 0.65 114.38 114.72 2k6h h ARG 131 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2k6h h ARG 131 Cb 0.00 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.07 2k6h h ARG 131 CO 0.00 0.15 0.06 0.00 0.10 0.00 0.00 179.97 180.28 2k6h h ALA 132 N 1.85 0.13 -0.12 0.08 0.00 -1.91 0.81 119.26 120.09 2k6h h ALA 132 Ca -0.00 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 2k6h h ALA 132 Cb 0.53 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2k6h h ALA 132 CO 0.02 -0.39 -0.67 0.93 0.00 0.00 0.00 179.25 179.14 2k6h h GLU 133 N 0.13 0.50 -0.29 0.00 4.39 -1.53 -1.17 114.58 116.61 2k6h h GLU 133 Ca 0.04 -0.38 -0.01 0.00 0.34 0.00 0.00 59.36 59.36 2k6h h GLU 133 Cb -0.00 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 2k6h h GLU 133 CO -0.02 1.00 0.16 1.98 -1.16 0.00 0.00 179.01 180.97 2k6h h MET 134 N 0.36 0.40 -0.45 2.33 4.05 -0.79 0.54 114.93 121.37 2k6h h MET 134 Ca -0.02 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.34 2k6h h MET 134 Cb 1.24 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.94 2k6h h MET 134 CO 0.12 0.34 0.23 1.15 0.23 0.00 0.00 176.91 178.98 2k6h h THR 135 N 0.35 1.18 0.09 -0.77 2.02 -0.69 0.73 112.91 115.81 2k6h h THR 135 Ca 0.10 -0.49 0.02 0.00 0.77 0.00 0.00 66.41 66.81 2k6h h THR 135 Cb 0.06 0.67 -0.04 0.00 -1.74 0.00 0.00 68.15 67.11 2k6h h THR 135 CO -0.02 0.19 -0.26 0.03 0.37 0.00 0.00 175.52 175.84 2k6h h ARG 136 N 0.59 -0.44 0.68 6.66 3.08 -1.07 -2.69 114.38 121.18 2k6h h ARG 136 Ca 0.16 0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.21 2k6h h ARG 136 Cb 0.10 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.25 2k6h h ARG 136 CO -0.02 -0.29 -0.38 0.00 -1.07 0.00 0.00 179.97 178.21 2k6h h ALA 137 N 0.30 -0.99 -0.86 0.04 0.00 -0.37 -1.00 119.26 116.38 2k6h h ALA 137 Ca 0.04 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.76 2k6h h ALA 137 Cb 0.49 0.44 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 2k6h h ALA 137 CO -0.17 -1.07 0.57 -0.24 0.00 0.00 0.00 179.25 178.35 2k6h h VAL 138 N -0.98 1.20 -0.22 0.00 3.04 -0.93 -0.63 116.25 117.74 2k6h h VAL 138 Ca -0.09 -0.39 -0.04 0.00 -1.01 0.00 0.00 66.70 65.17 2k6h h VAL 138 Cb 0.78 -0.04 -0.01 0.00 -2.01 0.00 0.00 31.29 30.01 2k6h h VAL 138 CO 0.12 0.21 -0.02 0.78 -1.01 0.00 0.00 177.57 177.65 2k6h h ASN 139 N 1.15 0.40 -0.35 3.17 2.35 -1.35 0.73 115.58 121.68 2k6h h ASN 139 Ca 0.32 -0.33 -0.06 0.00 -0.55 0.00 0.00 56.30 55.68 2k6h h ASN 139 Cb -0.10 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 2k6h h ASN 139 CO -0.08 0.64 0.02 -0.78 -1.65 0.00 0.00 177.43 175.58 2k6h h ASP 140 N 0.16 0.67 -0.15 5.81 3.58 -0.57 -0.46 116.42 125.45 2k6h h ASP 140 Ca 0.06 -0.14 -0.07 0.00 0.42 0.00 0.00 57.03 57.30 2k6h h ASP 140 Cb 0.44 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.31 2k6h h ASP 140 CO 0.01 0.72 -0.18 -0.07 -2.88 0.00 0.00 179.24 176.85 2k6h h LEU 141 N 0.67 0.42 -1.03 2.28 3.38 -1.10 -3.26 115.31 116.67 2k6h h LEU 141 Ca 0.14 -0.50 0.07 0.00 0.09 0.00 0.00 57.88 57.68 2k6h h LEU 141 Cb 0.38 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.94 2k6h h LEU 141 CO 0.01 0.83 0.64 0.00 0.09 0.00 0.00 178.44 180.02 2k6h h ALA 142 N 0.60 1.43 0.00 1.53 0.00 -0.24 -1.56 119.26 121.02 2k6h h ALA 142 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k6h h ALA 142 Cb 0.72 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2k6h h ALA 142 CO 0.04 0.41 0.00 0.36 0.00 0.00 0.00 179.25 180.07 2k6h n LYS 143 N -4.51 0.78 0.00 0.00 2.85 -0.24 -3.85 118.16 113.19 2k6h n LYS 143 Ca 0.16 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.42 2k6h n LYS 143 Cb 0.20 -1.29 0.00 0.00 -0.65 0.00 0.00 35.03 33.29 2k6h n LYS 143 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2k6h n LYS 144 N -0.79 0.48 -1.63 -1.58 5.02 -0.59 -4.84 118.16 114.23 2k6h n LYS 144 Ca 0.11 0.00 -0.47 0.00 -2.02 0.00 0.00 58.31 55.93 2k6h n LYS 144 Cb 0.05 -1.25 -0.05 0.00 -0.02 0.00 0.00 35.03 33.77 2k6h n LYS 144 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2k6h n LYS 145 N 0.47 2.04 -1.99 1.97 5.02 -1.25 -1.42 118.16 122.99 2k6h n LYS 145 Ca 0.00 0.70 -0.07 0.00 -2.02 0.00 0.00 58.31 56.92 2k6h n LYS 145 Cb 0.17 -2.76 -0.01 0.00 -0.02 0.00 0.00 35.03 32.41 2k6h n LYS 145 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2k6h n LYS 146 N 7.35 -2.03 -4.47 1.97 2.85 -1.26 -4.95 118.16 117.61 2k6h n LYS 146 Ca 0.26 0.37 -0.21 0.00 -1.05 0.00 0.00 58.31 57.68 2k6h n LYS 146 Cb 0.32 -4.77 -0.14 0.00 -0.65 0.00 0.00 35.03 29.79 2k6h n LYS 146 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 2k6h s MET 147 N -4.11 1.04 -0.24 -1.58 -1.94 -0.51 -5.11 119.30 106.85 2k6h s MET 147 Ca 0.00 -0.69 -0.03 0.00 -1.71 0.00 0.00 55.69 53.26 2k6h s MET 147 Cb 0.00 -1.05 0.12 0.00 2.01 0.00 0.00 34.83 35.91 2k6h s MET 147 CO 0.00 0.27 0.30 -1.17 -0.01 0.00 0.00 175.02 174.41 2k6h s LEU 148 N -0.89 -0.36 -0.49 -0.03 2.96 -1.26 -4.75 118.68 113.86 2k6h s LEU 148 Ca 0.03 -0.17 0.01 0.00 -0.22 0.00 0.00 54.13 53.78 2k6h s LEU 148 Cb -0.07 0.71 0.13 0.00 0.50 0.00 0.00 46.19 47.46 2k6h s LEU 148 CO 0.01 -0.33 0.26 -1.61 -1.32 0.00 0.00 176.35 173.36 2k6h s GLU 149 N 2.42 2.06 0.59 1.98 0.41 -1.26 -4.98 118.70 119.92 2k6h s GLU 149 Ca 0.10 -2.30 0.29 0.00 -0.41 0.00 0.00 54.97 52.64 2k6h s GLU 149 Cb -0.15 -3.47 1.71 0.00 -1.78 0.00 0.00 34.13 30.44 2k6h s GLU 149 CO -0.18 -1.09 2.17 -1.35 -0.49 0.00 0.00 175.26 174.32 2k6h h PRO 150 N 7.17 0.00 0.00 0.39 0.11 -2.02 -1.48 132.00 136.17 2k6h h PRO 150 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 2k6h h PRO 150 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 2k6h h PRO 150 CO 0.67 0.00 0.00 1.96 -0.21 0.00 0.00 178.00 180.42 2k6h h GLN 151 N 0.00 0.00 -7.08 1.05 4.20 -2.05 -3.45 115.11 107.78 2k6h h GLN 151 Ca 0.05 0.00 -0.47 0.00 0.06 0.00 0.00 58.65 58.28 2k6h h GLN 151 Cb 0.26 0.00 0.05 0.00 0.30 0.00 0.00 27.48 28.09 2k6h h GLN 151 CO -0.00 0.00 0.15 0.00 -0.67 0.00 0.00 178.83 178.31 2k6h s ALA 152 N -3.31 3.34 -0.62 3.87 0.00 -0.56 -5.00 121.76 119.49 2k6h s ALA 152 Ca 0.06 -0.72 0.09 0.00 0.00 0.00 0.00 51.96 51.39 2k6h s ALA 152 Cb 0.09 -2.57 0.50 0.00 0.00 0.00 0.00 23.12 21.14 2k6h s ALA 152 CO 0.54 -0.76 1.26 -0.40 0.00 0.00 0.00 175.76 176.40 2k6h n ASP 153 N -2.54 3.81 -0.32 0.00 5.75 -1.26 -4.52 116.55 117.48 2k6h n ASP 153 Ca 0.04 -2.54 0.20 0.00 -0.01 0.00 0.00 54.79 52.48 2k6h n ASP 153 Cb 0.58 -0.60 0.46 0.00 -1.03 0.00 0.00 41.12 40.53 2k6h n ASP 153 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 2k6h h THR 154 N 2.44 0.59 -0.59 2.12 1.35 -1.95 0.21 112.91 117.08 2k6h h THR 154 Ca 0.00 -0.17 -0.07 0.00 -0.55 0.00 0.00 66.41 65.63 2k6h h THR 154 Cb 1.36 0.06 -0.02 0.00 -1.73 0.00 0.00 68.15 67.81 2k6h h THR 154 CO 0.29 0.09 0.11 0.50 -0.25 0.00 0.00 175.52 176.25 2k6h h LYS 155 N 0.49 0.97 -0.71 4.72 1.63 -1.94 -2.62 116.57 119.11 2k6h h LYS 155 Ca 0.58 -0.25 0.03 0.00 -0.85 0.00 0.00 60.65 60.16 2k6h h LYS 155 Cb 1.31 -0.12 -0.05 0.00 -0.60 0.00 0.00 32.23 32.78 2k6h h LYS 155 CO -0.31 0.91 0.45 1.03 -3.45 0.00 0.00 179.45 178.08 2k6h h SER 156 N 0.87 0.73 -0.00 4.20 0.87 -1.30 -1.93 113.55 116.99 2k6h h SER 156 Ca 0.18 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.77 2k6h h SER 156 Cb 0.40 -0.16 -0.05 0.00 -0.44 0.00 0.00 62.40 62.15 2k6h h SER 156 CO 0.01 0.50 -0.39 0.11 -0.53 0.00 0.00 176.83 176.54 2k6h h LYS 157 N 0.87 -0.52 -0.46 2.24 1.79 -1.06 -1.62 116.57 117.81 2k6h h LYS 157 Ca 0.29 0.04 -0.10 0.00 -2.18 0.00 0.00 60.65 58.69 2k6h h LYS 157 Cb 0.03 0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.78 2k6h h LYS 157 CO -0.11 -0.35 -0.11 1.37 -1.08 0.00 0.00 179.45 179.17 2k6h h LEU 158 N -0.54 0.83 -0.87 2.94 8.10 -1.24 -2.85 115.31 121.69 2k6h h LEU 158 Ca 0.05 -0.26 -0.09 0.00 0.11 0.00 0.00 57.88 57.69 2k6h h LEU 158 Cb 0.63 -0.23 -0.02 0.00 -0.44 0.00 0.00 40.66 40.60 2k6h h LEU 158 CO -0.30 0.96 -0.15 0.58 -4.11 0.00 0.00 178.44 175.42 2k6h h VAL 159 N 0.76 1.26 -0.56 0.15 2.07 -0.99 0.76 116.25 119.69 2k6h h VAL 159 Ca 0.12 -1.18 -0.05 0.00 0.82 0.00 0.00 66.70 66.41 2k6h h VAL 159 Cb 0.62 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 2k6h h VAL 159 CO 0.04 0.39 0.14 0.07 0.02 0.00 0.00 177.57 178.23 2k6h h LYS 160 N 0.61 0.87 -0.26 1.57 2.10 -1.18 -0.89 116.57 119.38 2k6h h LYS 160 Ca 0.10 -0.18 -0.01 0.00 -2.00 0.00 0.00 60.65 58.56 2k6h h LYS 160 Cb 0.61 -0.13 -0.01 0.00 -0.90 0.00 0.00 32.23 31.79 2k6h h LYS 160 CO 0.04 0.78 0.14 -0.07 -2.00 0.00 0.00 179.45 178.34 2k6h h LEU 161 N 0.84 0.33 0.15 7.07 3.38 -1.11 -1.75 115.31 124.21 2k6h h LEU 161 Ca 0.18 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.08 2k6h h LEU 161 Cb 0.30 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 2k6h h LEU 161 CO -0.00 0.32 -0.33 0.58 0.09 0.00 0.00 178.44 179.10 2k6h h VAL 162 N 0.31 0.31 -0.59 1.22 2.07 -0.27 0.57 116.25 119.87 2k6h h VAL 162 Ca 0.09 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.53 2k6h h VAL 162 Cb 0.07 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 2k6h h VAL 162 CO -0.01 0.00 0.06 -0.37 0.02 0.00 0.00 177.57 177.27 2k6h h VAL 163 N -0.57 1.26 -0.14 2.57 -1.51 -1.15 0.12 116.25 116.82 2k6h h VAL 163 Ca 0.02 -1.04 -0.06 0.00 -1.23 0.00 0.00 66.70 64.39 2k6h h VAL 163 Cb 0.59 0.79 -0.01 0.00 -2.13 0.00 0.00 31.29 30.52 2k6h h VAL 163 CO -0.17 0.38 -0.20 -0.03 -1.23 0.00 0.00 177.57 176.32 2k6h h MET 164 N 0.89 0.24 0.00 5.19 -1.53 -1.05 -2.84 114.93 115.83 2k6h h MET 164 Ca 0.17 -0.07 0.00 0.00 -3.44 0.00 0.00 59.70 56.37 2k6h h MET 164 Cb 0.46 -0.03 0.00 0.00 -0.55 0.00 0.00 31.60 31.49 2k6h h MET 164 CO 0.02 0.44 0.00 0.28 0.14 0.00 0.00 176.91 177.78 2k6h n VAL 165 N -4.21 0.00 0.03 -5.77 0.31 0.17 -4.51 118.33 104.35 2k6h n VAL 165 Ca -0.01 0.02 -0.12 0.00 -0.01 0.00 0.00 64.34 64.22 2k6h n VAL 165 Cb 0.32 -0.91 -0.07 0.00 -0.91 0.00 0.00 33.84 32.27 2k6h n VAL 165 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2k6h h GLU 167 N 0.02 0.80 -0.35 0.00 4.39 -1.10 -3.09 114.58 115.25 2k6h h GLU 167 Ca 0.01 -0.54 0.06 0.00 0.34 0.00 0.00 59.36 59.23 2k6h h GLU 167 Cb -0.00 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 2k6h h GLU 167 CO -0.00 1.17 0.24 0.78 -1.16 0.00 0.00 179.01 180.03 2k6h h GLY 168 N 0.56 0.25 0.77 -3.84 0.00 -1.21 0.16 103.07 99.76 2k6h h GLY 168 Ca -0.00 -0.08 0.08 0.00 0.00 0.00 0.00 47.33 47.33 2k6h h GLY 168 CO 0.12 0.06 0.59 -2.00 0.00 0.00 0.00 176.54 175.32 2k6h h LEU 169 N 0.20 0.88 0.08 3.11 5.85 -0.86 -2.67 115.31 121.91 2k6h h LEU 169 Ca 0.16 0.02 -0.18 0.00 0.84 0.00 0.00 57.88 58.71 2k6h h LEU 169 Cb 0.36 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.22 2k6h h LEU 169 CO -0.03 0.54 -0.89 0.03 -0.34 0.00 0.00 178.44 177.75 2k6h h ARG 170 N 0.99 0.17 -3.60 1.25 3.08 -1.18 -3.43 114.38 111.65 2k6h h ARG 170 Ca 0.41 -0.30 -0.76 0.00 0.07 0.00 0.00 59.98 59.40 2k6h h ARG 170 Cb 0.29 0.11 -0.30 0.00 0.08 0.00 0.00 29.97 30.16 2k6h h ARG 170 CO -0.17 1.14 0.11 -0.06 -1.07 0.00 0.00 179.97 179.92 2k6h s PHE 171 N -2.39 3.91 0.02 3.04 0.40 0.40 -0.39 117.98 122.97 2k6h s PHE 171 Ca -0.19 -2.53 0.31 0.00 -0.60 0.00 0.00 56.93 53.92 2k6h s PHE 171 Cb 0.02 -3.62 1.49 0.00 0.51 0.00 0.00 43.02 41.41 2k6h s PHE 171 CO 0.75 -0.91 1.94 -0.91 0.70 0.00 0.00 175.22 176.79 2k6h h ASN 172 N 6.96 0.00 -0.28 1.36 -0.26 -1.21 -1.42 115.58 120.72 2k6h h ASN 172 Ca 0.12 0.00 0.05 0.00 -0.56 0.00 0.00 56.30 55.92 2k6h h ASN 172 Cb 0.93 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 38.14 2k6h h ASN 172 CO 0.85 0.00 -0.04 0.74 -1.06 0.00 0.00 177.43 177.92 2k6h h THR 173 N 0.00 0.75 -0.13 2.81 2.02 -1.84 0.31 112.91 116.84 2k6h h THR 173 Ca 0.00 -0.01 -0.10 0.00 0.77 0.00 0.00 66.41 67.07 2k6h h THR 173 Cb 0.24 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 2k6h h THR 173 CO 0.00 0.01 -0.31 1.62 0.37 0.00 0.00 175.52 177.21 2k6h h VAL 174 N 0.04 1.38 -0.49 3.16 3.04 -1.58 0.13 116.25 121.91 2k6h h VAL 174 Ca 0.14 -1.60 -0.01 0.00 -1.01 0.00 0.00 66.70 64.22 2k6h h VAL 174 Cb 0.20 2.08 -0.02 0.00 -2.01 0.00 0.00 31.29 31.53 2k6h h VAL 174 CO -0.26 0.47 0.27 0.77 -1.01 0.00 0.00 177.57 177.81 2k6h h SER 175 N 0.02 0.61 0.79 3.17 4.64 -1.56 -0.37 113.55 120.86 2k6h h SER 175 Ca -0.00 -0.09 -0.08 0.00 -0.47 0.00 0.00 61.79 61.14 2k6h h SER 175 Cb 0.91 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.83 2k6h h SER 175 CO 0.07 0.53 -0.39 0.03 -0.87 0.00 0.00 176.83 176.19 2k6h h ARG 176 N 0.65 0.00 0.15 4.77 3.08 -0.88 0.35 114.38 122.50 2k6h h ARG 176 Ca 0.17 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 2k6h h ARG 176 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 2k6h h ARG 176 CO -0.03 0.39 -0.07 1.15 -1.07 0.00 0.00 179.97 180.34 2k6h h THR 177 N 0.00 0.90 0.00 2.04 2.02 -0.50 -1.60 112.91 115.77 2k6h h THR 177 Ca -0.00 -0.22 -0.04 0.00 0.77 0.00 0.00 66.41 66.92 2k6h h THR 177 Cb 0.89 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 2k6h h THR 177 CO 0.05 0.05 -0.19 0.58 0.37 0.00 0.00 175.52 176.38 2k6h h VAL 178 N -0.30 0.63 -0.35 3.16 2.07 -0.52 -1.55 116.25 119.40 2k6h h VAL 178 Ca -0.02 -0.85 -0.11 0.00 0.82 0.00 0.00 66.70 66.53 2k6h h VAL 178 Cb 0.24 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 2k6h h VAL 178 CO 0.03 0.19 -0.23 -0.78 0.02 0.00 0.00 177.57 176.80 2k6h h ASP 179 N 0.00 0.80 -0.80 0.57 3.58 -0.16 0.26 116.42 120.68 2k6h h ASP 179 Ca -0.00 -0.43 0.00 0.00 0.42 0.00 0.00 57.03 57.02 2k6h h ASP 179 Cb 0.54 -0.22 -0.04 0.00 1.72 0.00 0.00 39.33 41.32 2k6h h ASP 179 CO 0.02 1.06 0.51 0.00 -2.88 0.00 0.00 179.24 177.96 2k6h h ALA 180 N 0.77 1.02 -0.32 -0.78 0.00 -0.85 -2.76 119.26 116.34 2k6h h ALA 180 Ca 0.07 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2k6h h ALA 180 Cb 0.79 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2k6h h ALA 180 CO 0.06 0.45 -0.04 0.78 0.00 0.00 0.00 179.25 180.50 2k6h h GLY 181 N 1.09 0.54 1.96 0.00 0.00 -0.84 -3.14 103.07 102.68 2k6h h GLY 181 Ca 0.29 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.29 2k6h h GLY 181 CO -0.06 0.31 0.02 -2.75 0.00 0.00 0.00 176.54 174.06 2k6h h PHE 182 N 0.48 0.05 0.00 5.60 3.57 -0.18 -0.45 116.94 126.01 2k6h h PHE 182 Ca 0.10 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.54 2k6h h PHE 182 Cb 0.37 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 2k6h h PHE 182 CO 0.01 0.04 -0.29 -0.97 -2.23 0.00 0.00 178.31 174.87 2k6h h ASN 183 N 0.06 0.00 -3.79 0.41 -1.24 -1.59 -3.43 115.58 106.00 2k6h h ASN 183 Ca 0.02 0.00 -0.49 0.00 0.71 0.00 0.00 56.30 56.54 2k6h h ASN 183 Cb 0.01 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.04 2k6h h ASN 183 CO -0.00 0.29 0.38 -0.55 -1.29 0.00 0.00 177.43 176.26 2k6h s SER 184 N -6.45 7.50 0.46 1.15 0.15 -0.18 -4.96 113.70 111.37 2k6h s SER 184 Ca -0.01 2.00 0.22 0.00 0.70 0.00 0.00 55.95 58.86 2k6h s SER 184 Cb 0.12 -2.61 1.10 0.00 -1.71 0.00 0.00 66.02 62.92 2k6h s SER 184 CO 0.66 0.05 1.94 0.06 1.20 0.00 0.00 173.24 177.15 2k6h h GLN 185 N 3.90 0.00 -0.02 5.44 3.07 -1.83 -2.96 115.11 122.72 2k6h h GLN 185 Ca -0.46 0.00 -0.18 0.00 0.09 0.00 0.00 58.65 58.11 2k6h h GLN 185 Cb 1.20 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.75 2k6h h GLN 185 CO 0.67 0.22 -0.78 1.25 0.09 0.00 0.00 178.83 180.28 2k6h h HIS 186 N 0.00 0.24 0.00 0.06 2.76 -1.93 -3.47 115.15 112.80 2k6h h HIS 186 Ca -0.00 -0.12 0.00 0.00 -2.20 0.00 0.00 60.37 58.05 2k6h h HIS 186 Cb 0.53 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.46 2k6h h HIS 186 CO 0.00 0.88 0.00 0.41 -1.30 0.00 0.00 177.93 177.92 2k6h n GLY 187 N 0.67 -1.62 3.17 5.26 0.00 -1.12 -4.83 105.19 106.73 2k6h n GLY 187 Ca -0.03 -1.46 -0.09 0.00 0.00 0.00 0.00 46.02 44.44 2k6h n GLY 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k6h s VAL 188 N 0.00 0.12 -0.25 1.61 0.11 -1.24 -4.86 120.40 115.88 2k6h s VAL 188 Ca 0.00 -1.78 0.02 0.00 -2.93 0.00 0.00 61.98 57.29 2k6h s VAL 188 Cb 0.00 -1.90 0.06 0.00 -1.53 0.00 0.00 36.38 33.02 2k6h s VAL 188 CO 0.00 -0.54 -0.07 0.42 -3.33 0.00 0.00 175.10 171.58 2k6h s THR 189 N -4.01 1.88 0.94 5.04 -4.23 -1.26 -1.05 115.64 112.94 2k6h s THR 189 Ca 0.19 -1.50 -0.11 0.00 -1.18 0.00 0.00 61.69 59.10 2k6h s THR 189 Cb 0.07 -2.08 0.15 0.00 1.34 0.00 0.00 72.50 71.98 2k6h s THR 189 CO -0.01 -0.10 1.11 -1.48 -0.54 0.00 0.00 174.62 173.59 2k6h s LEU 190 N 1.22 2.41 0.43 4.79 2.34 -1.26 -5.07 118.68 123.55 2k6h s LEU 190 Ca -0.06 1.91 0.01 0.00 0.06 0.00 0.00 54.13 56.05 2k6h s LEU 190 Cb -0.19 -4.25 -0.00 0.00 -0.56 0.00 0.00 46.19 41.18 2k6h s LEU 190 CO -0.06 -3.07 0.64 0.28 -1.06 0.00 0.00 176.35 173.08 2k6h s THR 191 N -2.70 4.00 0.25 5.48 -1.32 -1.26 -4.74 115.64 115.36 2k6h s THR 191 Ca 0.66 -0.58 -0.04 0.00 -1.21 0.00 0.00 61.69 60.52 2k6h s THR 191 Cb -0.22 -3.47 0.25 0.00 -1.51 0.00 0.00 72.50 67.56 2k6h s THR 191 CO 0.59 -0.30 1.88 1.62 -2.21 0.00 0.00 174.62 176.19 2k6h h VAL 192 N 0.48 1.09 -0.97 5.08 3.04 -1.97 -2.51 116.25 120.49 2k6h h VAL 192 Ca -0.46 -0.39 0.07 0.00 -1.01 0.00 0.00 66.70 64.92 2k6h h VAL 192 Cb 1.25 -0.13 -0.07 0.00 -2.01 0.00 0.00 31.29 30.33 2k6h h VAL 192 CO 0.57 0.21 0.61 0.74 -1.01 0.00 0.00 177.57 178.69 2k6h h THR 193 N 1.13 1.05 0.25 3.17 2.02 -1.95 0.44 112.91 119.02 2k6h h THR 193 Ca 0.40 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 67.20 2k6h h THR 193 Cb 0.13 -0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.40 2k6h h THR 193 CO -0.16 0.20 -0.12 1.56 0.37 0.00 0.00 175.52 177.37 2k6h h GLN 194 N 1.09 -0.33 -0.92 6.66 4.20 -1.73 -2.30 115.11 121.79 2k6h h GLN 194 Ca 0.43 0.02 0.16 0.00 0.06 0.00 0.00 58.65 59.31 2k6h h GLN 194 Cb 0.22 0.07 -0.10 0.00 0.30 0.00 0.00 27.48 27.97 2k6h h GLN 194 CO -0.19 -0.07 0.52 0.78 -0.67 0.00 0.00 178.83 179.20 2k6h h GLY 195 N -0.55 1.55 0.91 3.46 0.00 -1.15 -1.64 103.07 105.66 2k6h h GLY 195 Ca -0.03 -0.31 -0.04 0.00 0.00 0.00 0.00 47.33 46.94 2k6h h GLY 195 CO 0.06 -0.01 -0.44 0.50 0.00 0.00 0.00 176.54 176.64 2k6h h LYS 196 N 0.73 -1.18 -0.15 4.80 1.57 -0.81 -3.08 116.57 118.44 2k6h h LYS 196 Ca 0.50 0.08 0.03 0.00 -1.87 0.00 0.00 60.65 59.39 2k6h h LYS 196 Cb 0.70 0.27 -0.03 0.00 0.08 0.00 0.00 32.23 33.25 2k6h h LYS 196 CO -0.35 -0.79 -0.02 -0.56 -0.57 0.00 0.00 179.45 177.16 2k6h h GLN 197 N -1.23 0.02 -0.28 3.15 3.07 -0.96 -3.02 115.11 115.87 2k6h h GLN 197 Ca -0.13 -0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.59 2k6h h GLN 197 Cb 0.94 -0.01 -0.02 0.00 0.08 0.00 0.00 27.48 28.48 2k6h h GLN 197 CO 0.20 0.02 0.05 -0.39 0.09 0.00 0.00 178.83 178.80 2k6h h VAL 198 N 0.02 1.14 0.00 1.86 -1.51 -1.37 -2.21 116.25 114.18 2k6h h VAL 198 Ca 0.07 -0.52 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 2k6h h VAL 198 Cb 0.10 0.88 0.00 0.00 -2.13 0.00 0.00 31.29 30.14 2k6h h VAL 198 CO -0.14 0.18 -0.28 1.67 -1.23 0.00 0.00 177.57 177.77 2k6h n GLN 199 N -4.37 0.17 -2.82 5.19 7.27 -1.15 -4.14 117.38 117.53 2k6h n GLN 199 Ca 0.01 0.09 -0.22 0.00 0.07 0.00 0.00 57.00 56.95 2k6h n GLN 199 Cb 0.18 -1.65 -0.02 0.00 2.41 0.00 0.00 30.24 31.16 2k6h n GLN 199 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 2k6h n LYS 200 N -1.91 2.52 0.15 3.69 3.00 -0.83 -4.87 118.16 119.90 2k6h n LYS 200 Ca 0.05 -4.22 0.17 0.00 -0.00 0.00 0.00 58.31 54.32 2k6h n LYS 200 Cb 0.40 -1.98 0.77 0.00 0.00 0.00 0.00 35.03 34.22 2k6h n LYS 200 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.40 179.75 2k6h h TRP 201 N 2.87 0.00 -0.84 5.64 7.01 -1.72 -1.67 115.95 127.25 2k6h h TRP 201 Ca 0.14 0.00 0.10 0.00 2.11 0.00 0.00 58.89 61.24 2k6h h TRP 201 Cb 0.82 0.00 -0.06 0.00 -2.10 0.00 0.00 29.16 27.82 2k6h h TRP 201 CO 0.71 0.00 0.54 -0.44 -2.79 0.00 0.00 178.44 176.46 2k6h h ASP 202 N 0.00 0.70 0.66 2.65 3.32 -1.93 0.02 116.42 121.84 2k6h h ASP 202 Ca 0.13 0.02 -0.19 0.00 0.02 0.00 0.00 57.03 57.01 2k6h h ASP 202 Cb 0.62 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 2k6h h ASP 202 CO -0.00 0.41 -0.84 -0.09 -1.72 0.00 0.00 179.24 177.00 2k6h h ARG 203 N 0.77 0.13 -0.04 3.56 9.65 -1.70 -2.27 114.38 124.48 2k6h h ARG 203 Ca 0.39 -0.14 -0.00 0.00 -1.10 0.00 0.00 59.98 59.13 2k6h h ARG 203 Cb 0.47 0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 29.09 2k6h h ARG 203 CO -0.16 0.89 0.01 0.82 2.80 0.00 0.00 179.97 184.34 2k6h h ILE 204 N 0.07 1.17 -0.29 1.20 1.08 -1.13 -0.49 117.51 119.12 2k6h h ILE 204 Ca -0.03 -0.50 -0.03 0.00 -0.39 0.00 0.00 64.86 63.91 2k6h h ILE 204 Cb 1.46 1.44 -0.01 0.00 -3.07 0.00 0.00 36.82 36.64 2k6h h ILE 204 CO 0.12 0.14 0.08 0.77 -0.69 0.00 0.00 178.15 178.57 2k6h h SER 205 N -0.14 0.43 -0.44 1.72 4.64 -1.08 0.13 113.55 118.81 2k6h h SER 205 Ca 0.01 -0.22 -0.05 0.00 -0.47 0.00 0.00 61.79 61.06 2k6h h SER 205 Cb 0.21 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.16 2k6h h SER 205 CO -0.00 0.53 0.10 0.07 -0.87 0.00 0.00 176.83 176.66 2k6h h LYS 206 N 0.30 0.79 -0.38 4.77 2.10 -1.45 -1.66 116.57 121.04 2k6h h LYS 206 Ca 0.09 -0.17 -0.04 0.00 -2.00 0.00 0.00 60.65 58.54 2k6h h LYS 206 Cb 0.26 -0.11 -0.02 0.00 -0.90 0.00 0.00 32.23 31.46 2k6h h LYS 206 CO -0.00 0.73 0.10 0.00 -2.00 0.00 0.00 179.45 178.28 2k6h h ALA 207 N 1.35 0.50 -0.58 0.07 0.00 -0.60 0.34 119.26 120.35 2k6h h ALA 207 Ca 0.16 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.90 2k6h h ALA 207 Cb 0.32 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2k6h h ALA 207 CO 0.00 0.17 0.37 0.00 0.00 0.00 0.00 179.25 179.80 2k6h h ALA 208 N 0.94 0.73 -0.41 0.00 0.00 -0.51 0.12 119.26 120.15 2k6h h ALA 208 Ca 0.12 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2k6h h ALA 208 Cb 0.30 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2k6h h ALA 208 CO 0.00 0.14 0.16 0.35 0.00 0.00 0.00 179.25 179.89 2k6h h PHE 209 N 0.75 0.62 -0.70 0.00 3.57 -1.16 -1.92 116.94 118.10 2k6h h PHE 209 Ca 0.22 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 2k6h h PHE 209 Cb -0.05 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.47 2k6h h PHE 209 CO -0.04 0.56 0.40 1.49 -2.23 0.00 0.00 178.31 178.48 2k6h h GLU 210 N 0.51 0.97 0.00 1.11 4.81 -0.41 -0.98 114.58 120.59 2k6h h GLU 210 Ca 0.13 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2k6h h GLU 210 Cb 0.20 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.39 2k6h h GLU 210 CO -0.01 0.72 0.00 0.91 -0.73 0.00 0.00 179.01 179.90 2k6h n TRP 211 N -4.51 0.00 0.08 0.92 8.01 0.39 -1.15 117.44 121.18 2k6h n TRP 211 Ca 0.06 0.00 -0.09 0.00 -1.31 0.00 0.00 57.50 56.16 2k6h n TRP 211 Cb 0.08 -0.40 -0.08 0.00 -2.01 0.00 0.00 31.31 28.89 2k6h n TRP 211 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2k6h h ALA 212 N 2.67 0.36 0.19 6.99 0.00 -0.35 -3.15 119.26 125.97 2k6h h ALA 212 Ca 0.00 -0.84 -0.34 0.00 0.00 0.00 0.00 54.91 53.73 2k6h h ALA 212 Cb 0.23 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.94 2k6h h ALA 212 CO 0.00 1.07 -1.65 0.22 0.00 0.00 0.00 179.25 178.89 2k6h h ASP 213 N 0.05 0.61 -3.14 0.00 3.58 -1.07 -3.42 116.42 113.03 2k6h h ASP 213 Ca -0.05 -0.84 -0.61 0.00 0.42 0.00 0.00 57.03 55.95 2k6h h ASP 213 Cb 1.72 -0.20 -0.40 0.00 1.72 0.00 0.00 39.33 42.17 2k6h h ASP 213 CO 0.15 1.70 -0.76 -1.00 -2.88 0.00 0.00 179.24 176.45 2k6h s HIS 214 N -2.59 2.09 0.24 0.28 3.76 -0.30 -5.02 115.29 113.74 2k6h s HIS 214 Ca -0.13 -2.58 -0.05 0.00 -0.15 0.00 0.00 55.06 52.15 2k6h s HIS 214 Cb 0.05 -1.82 0.38 0.00 1.11 0.00 0.00 32.58 32.30 2k6h s HIS 214 CO 0.87 -0.74 1.79 -1.35 -0.85 0.00 0.00 174.74 174.46 2k6h h PRO 215 N 6.22 0.67 -0.00 8.40 0.11 -1.80 -2.94 132.00 142.65 2k6h h PRO 215 Ca 0.09 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.16 2k6h h PRO 215 Cb 0.89 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.85 2k6h h PRO 215 CO 0.50 0.44 -0.12 -2.37 -0.21 0.00 0.00 178.00 176.24 2k6h n THR 216 N -4.81 0.00 -1.10 -1.15 5.66 -1.26 -4.79 114.28 106.83 2k6h n THR 216 Ca 0.13 -0.07 -0.30 0.00 -3.05 0.00 0.00 64.05 60.76 2k6h n THR 216 Cb 0.28 -0.06 0.15 0.00 -1.55 0.00 0.00 70.33 69.16 2k6h n THR 216 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2k6h s ALA 217 N -2.48 1.28 0.08 1.79 0.00 -1.11 -5.08 121.76 116.24 2k6h s ALA 217 Ca 0.28 -0.05 0.09 0.00 0.00 0.00 0.00 51.96 52.29 2k6h s ALA 217 Cb 0.20 -3.21 -0.03 0.00 0.00 0.00 0.00 23.12 20.08 2k6h s ALA 217 CO 0.48 -2.58 -0.25 0.54 0.00 0.00 0.00 175.76 173.95 2k6h s VAL 218 N -2.87 2.06 -0.33 0.00 0.11 -1.26 -4.80 120.40 113.30 2k6h s VAL 218 Ca 0.64 -1.50 0.01 0.00 -2.93 0.00 0.00 61.98 58.21 2k6h s VAL 218 Cb -0.19 -1.79 0.09 0.00 -1.53 0.00 0.00 36.38 32.95 2k6h s VAL 218 CO 0.58 0.20 0.04 -0.63 -3.33 0.00 0.00 175.10 171.97 2k6h s ILE 219 N -0.93 2.59 0.41 7.04 1.01 -1.26 -4.99 121.20 125.07 2k6h s ILE 219 Ca 0.11 -1.99 0.11 0.00 0.00 0.00 0.00 60.65 58.89 2k6h s ILE 219 Cb -0.10 -2.74 0.17 0.00 0.01 0.00 0.00 42.46 39.80 2k6h s ILE 219 CO 0.04 -0.43 1.94 1.55 0.00 0.00 0.00 174.94 178.04 2k6h h PRO 220 N 7.80 0.14 -0.64 2.79 0.13 -1.96 -1.17 132.00 139.10 2k6h h PRO 220 Ca -0.12 -0.03 0.06 0.00 -0.87 0.00 0.00 66.00 65.05 2k6h h PRO 220 Cb 1.04 -0.02 -0.06 0.00 0.13 0.00 0.00 31.00 32.09 2k6h h PRO 220 CO 0.55 0.30 0.33 -0.44 -0.23 0.00 0.00 178.00 178.52 2k6h h ASP 221 N 0.13 0.48 0.39 1.44 5.19 -1.97 -2.46 116.42 119.62 2k6h h ASP 221 Ca 0.03 0.04 -0.08 0.00 -0.62 0.00 0.00 57.03 56.39 2k6h h ASP 221 Cb 0.36 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.81 2k6h h ASP 221 CO 0.02 0.31 -0.40 -0.03 -3.12 0.00 0.00 179.24 176.02 2k6h h MET 222 N 0.62 0.01 0.00 3.56 4.05 -1.49 -1.43 114.93 120.24 2k6h h MET 222 Ca 0.29 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.71 2k6h h MET 222 Cb 0.22 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.02 2k6h h MET 222 CO -0.20 0.41 0.00 1.96 0.23 0.00 0.00 176.91 179.31 2k6h h GLN 223 N 0.01 0.00 0.00 0.39 4.20 -1.04 0.60 115.11 119.26 2k6h h GLN 223 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2k6h h GLN 223 Cb 0.71 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.49 2k6h h GLN 223 CO 0.05 0.00 0.00 1.63 -0.67 0.00 0.00 178.83 179.84 2k6h n LYS 224 N -3.07 0.04 -0.00 1.46 4.76 -0.54 -2.58 118.16 118.23 2k6h n LYS 224 Ca -0.01 0.09 0.11 0.00 -2.87 0.00 0.00 58.31 55.63 2k6h n LYS 224 Cb 0.23 -1.56 -0.15 0.00 -1.84 0.00 0.00 35.03 31.71 2k6h n LYS 224 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2k6h n LEU 225 N -1.64 0.22 0.00 -0.35 7.99 0.04 -4.90 117.00 118.36 2k6h n LEU 225 Ca 0.06 -0.08 0.00 0.00 -0.01 0.00 0.00 56.01 55.98 2k6h n LEU 225 Cb 0.32 -0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.62 2k6h n LEU 225 CO 0.25 0.04 0.00 0.61 -1.51 0.00 0.00 177.39 176.78 2k6h n GLY 226 N 1.30 1.72 3.83 -0.72 0.00 -0.26 -4.01 105.19 107.06 2k6h n GLY 226 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 2k6h n GLY 226 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k6h s ILE 227 N -2.19 4.51 0.00 -0.61 1.01 -1.15 -4.89 121.20 117.88 2k6h s ILE 227 Ca 0.00 1.26 0.00 0.00 0.00 0.00 0.00 60.65 61.91 2k6h s ILE 227 Cb 0.00 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.83 2k6h s ILE 227 CO 0.00 -0.41 0.00 2.29 0.00 0.00 0.00 174.94 176.82 2k6h n LYS 228 N -0.89 2.39 -4.11 2.79 2.85 -1.26 -2.35 118.16 117.58 2k6h n LYS 228 Ca 0.06 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.23 2k6h n LYS 228 Cb 0.54 -0.79 -0.10 0.00 -0.65 0.00 0.00 35.03 34.02 2k6h n LYS 228 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 2k6h s ASP 229 N -1.86 0.79 0.46 -5.58 2.15 -1.26 -4.29 116.67 107.08 2k6h s ASP 229 Ca 0.00 -0.92 0.12 0.00 0.43 0.00 0.00 52.55 52.18 2k6h s ASP 229 Cb 0.00 0.13 1.05 0.00 -0.30 0.00 0.00 42.92 43.80 2k6h s ASP 229 CO 0.00 -0.48 2.08 0.07 -0.17 0.00 0.00 175.17 176.67 2k6h h LYS 230 N 3.31 0.31 -0.16 4.34 2.10 -1.87 -0.11 116.57 124.49 2k6h h LYS 230 Ca -0.35 -0.02 -0.09 0.00 -2.00 0.00 0.00 60.65 58.19 2k6h h LYS 230 Cb 1.16 -0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 32.41 2k6h h LYS 230 CO 0.61 0.20 -0.30 -2.95 -2.00 0.00 0.00 179.45 175.01 2k6h h ASN 231 N 0.32 0.32 -0.24 7.07 7.08 -1.96 0.18 115.58 128.35 2k6h h ASN 231 Ca 0.12 -0.11 -0.04 0.00 -3.08 0.00 0.00 56.30 53.19 2k6h h ASN 231 Cb 0.10 -0.09 -0.01 0.00 -2.08 0.00 0.00 38.32 36.24 2k6h h ASN 231 CO -0.03 0.62 -0.00 -0.08 -2.08 0.00 0.00 177.43 175.86 2k6h h GLU 232 N 0.28 0.42 -0.37 4.14 4.57 -1.46 -1.38 114.58 120.78 2k6h h GLU 232 Ca 0.04 -0.14 0.05 0.00 -1.18 0.00 0.00 59.36 58.13 2k6h h GLU 232 Cb 0.68 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.19 2k6h h GLU 232 CO 0.05 0.60 0.12 0.00 -1.18 0.00 0.00 179.01 178.60 2k6h h ALA 233 N 0.80 0.42 -0.66 2.92 0.00 -0.96 -0.94 119.26 120.84 2k6h h ALA 233 Ca 0.07 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2k6h h ALA 233 Cb 0.42 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2k6h h ALA 233 CO 0.01 -0.28 0.39 0.00 0.00 0.00 0.00 179.25 179.37 2k6h h ALA 234 N 1.25 1.44 0.00 0.00 0.00 -0.76 -0.85 119.26 120.34 2k6h h ALA 234 Ca 0.17 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 2k6h h ALA 234 Cb 0.16 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2k6h h ALA 234 CO -0.19 0.48 -0.78 0.07 0.00 0.00 0.00 179.25 178.83 2k6h h ARG 235 N 0.91 0.00 0.19 0.00 0.11 -0.94 -3.36 114.38 111.29 2k6h h ARG 235 Ca 0.24 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.31 2k6h h ARG 235 Cb -0.02 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.06 2k6h h ARG 235 CO -0.04 0.71 -0.09 0.82 0.10 0.00 0.00 179.97 181.47 2k6h h ILE 236 N 0.00 0.76 -2.91 0.08 5.03 -0.59 -3.44 117.51 116.44 2k6h h ILE 236 Ca -0.02 -1.06 -0.57 0.00 -0.12 0.00 0.00 64.86 63.10 2k6h h ILE 236 Cb 1.58 1.27 -0.03 0.00 -3.03 0.00 0.00 36.82 36.61 2k6h h ILE 236 CO 0.09 0.19 -0.38 0.68 -0.68 0.00 0.00 178.15 178.06 2k6h s VAL 237 N -3.46 5.25 -0.04 1.67 -7.23 -0.38 -1.81 120.40 114.39 2k6h s VAL 237 Ca -0.12 -0.30 -0.15 0.00 -1.81 0.00 0.00 61.98 59.60 2k6h s VAL 237 Cb 0.01 -3.68 -0.31 0.00 0.56 0.00 0.00 36.38 32.95 2k6h s VAL 237 CO 0.45 -0.04 0.74 0.00 -0.31 0.00 0.00 175.10 175.95 2k6h h ALA 238 N 2.46 0.05 -2.60 1.32 0.00 -0.99 -3.44 119.26 116.06 2k6h h ALA 238 Ca -0.47 -1.01 -0.34 0.00 0.00 0.00 0.00 54.91 53.09 2k6h h ALA 238 Cb 1.18 0.35 -0.14 0.00 0.00 0.00 0.00 17.79 19.18 2k6h h ALA 238 CO 0.71 0.81 -0.57 -0.51 0.00 0.00 0.00 179.25 179.69 2k6h s LEU 239 N -7.51 1.45 0.17 0.00 1.02 -1.26 -4.09 118.68 108.46 2k6h s LEU 239 Ca -0.15 -1.52 0.07 0.00 0.02 0.00 0.00 54.13 52.55 2k6h s LEU 239 Cb 0.04 0.35 -0.04 0.00 0.02 0.00 0.00 46.19 46.56 2k6h s LEU 239 CO 0.85 -0.90 -0.14 0.68 0.02 0.00 0.00 176.35 176.86 2k6h s VAL 240 N -3.83 1.55 0.91 -1.59 -7.23 -0.74 -4.95 120.40 104.51 2k6h s VAL 240 Ca 0.39 -2.03 -0.12 0.00 -1.81 0.00 0.00 61.98 58.41 2k6h s VAL 240 Cb 0.05 -1.86 0.09 0.00 0.56 0.00 0.00 36.38 35.22 2k6h s VAL 240 CO 0.17 -0.55 0.84 1.17 -0.31 0.00 0.00 175.10 176.43 2k6h n LYS 241 N -0.05 -0.28 -1.78 4.82 4.81 -1.26 -1.50 118.16 122.92 2k6h n LYS 241 Ca -0.11 -0.02 -0.42 0.00 -0.87 0.00 0.00 58.31 56.89 2k6h n LYS 241 Cb 0.59 -2.16 -0.03 0.00 0.02 0.00 0.00 35.03 33.45 2k6h n LYS 241 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 2k6h s ASN 242 N -2.27 6.52 -0.27 3.14 3.84 -1.26 -4.35 114.94 120.28 2k6h s ASN 242 Ca 0.64 2.54 0.09 0.00 0.21 0.00 0.00 52.86 56.33 2k6h s ASN 242 Cb -0.24 -2.53 0.46 0.00 -0.55 0.00 0.00 41.25 38.39 2k6h s ASN 242 CO 0.61 -1.01 1.32 0.00 -2.79 0.00 0.00 177.10 175.22 2k6h n GLN 243 N 7.41 2.16 -0.08 0.43 1.13 -1.26 -4.76 117.38 122.40 2k6h n GLN 243 Ca 0.19 -3.47 0.08 0.00 -1.94 0.00 0.00 57.00 51.86 2k6h n GLN 243 Cb 0.42 -1.85 0.44 0.00 0.11 0.00 0.00 30.24 29.36 2k6h n GLN 243 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 2k6h h THR 244 N 1.27 0.99 -2.20 5.09 2.02 -1.93 -3.41 112.91 114.73 2k6h h THR 244 Ca 0.17 -0.18 -0.56 0.00 0.77 0.00 0.00 66.41 66.61 2k6h h THR 244 Cb 1.31 0.41 0.01 0.00 -1.74 0.00 0.00 68.15 68.13 2k6h h THR 244 CO 0.35 0.10 1.36 -0.89 0.37 0.00 0.00 175.52 176.80 2k6h s THR 245 N -5.49 3.04 -0.30 3.16 2.01 -1.26 -4.88 115.64 111.91 2k6h s THR 245 Ca -0.08 0.04 0.27 0.00 0.31 0.00 0.00 61.69 62.23 2k6h s THR 245 Cb 0.19 -3.04 0.29 0.00 0.01 0.00 0.00 72.50 69.96 2k6h s THR 245 CO 0.75 -0.02 1.80 0.00 -0.69 0.00 0.00 174.62 176.46 2k6h h ALA 246 N 12.79 1.00 -2.68 7.40 0.00 -2.02 -3.38 119.26 132.37 2k6h h ALA 246 Ca -0.45 0.00 -0.72 0.00 0.00 0.00 0.00 54.91 53.74 2k6h h ALA 246 Cb 1.24 0.00 -0.28 0.00 0.00 0.00 0.00 17.79 18.75 2k6h h ALA 246 CO 0.95 0.00 -0.43 0.00 0.00 0.00 0.00 179.25 179.77 2k6h s ALA 247 N -3.42 3.35 -2.24 0.00 0.00 -1.26 -5.16 121.76 113.03 2k6h s ALA 247 Ca 0.03 -2.24 0.30 0.00 0.00 0.00 0.00 51.96 50.05 2k6h s ALA 247 Cb 0.09 -2.75 1.49 0.00 0.00 0.00 0.00 23.12 21.95 2k6h s ALA 247 CO 0.45 -1.73 1.99 0.00 0.00 0.00 0.00 175.76 176.47