#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d3r s ASP 2 N 0.00 6.96 -0.37 0.00 1.01 -1.26 -5.01 116.67 118.01 2d3r s ASP 2 Ca 0.00 1.92 -0.23 0.00 0.71 0.00 0.00 52.55 54.94 2d3r s ASP 2 Cb 0.00 -2.56 0.01 0.00 1.01 0.00 0.00 42.92 41.38 2d3r s ASP 2 CO 0.00 -0.66 0.80 -0.89 0.21 0.00 0.00 175.17 174.63 2d3r s THR 3 N 2.44 4.71 -0.05 -1.27 2.01 -1.26 -5.01 115.64 117.22 2d3r s THR 3 Ca 0.59 0.90 0.05 0.00 0.31 0.00 0.00 61.69 63.54 2d3r s THR 3 Cb -0.27 -4.23 -0.01 0.00 0.01 0.00 0.00 72.50 68.01 2d3r s THR 3 CO 0.23 -0.46 -0.21 -0.63 -0.69 0.00 0.00 174.62 172.87 2d3r s ILE 4 N 3.15 1.70 -0.10 1.82 -1.09 -1.26 -2.94 121.20 122.48 2d3r s ILE 4 Ca 0.32 -0.87 0.01 0.00 -2.23 0.00 0.00 60.65 57.88 2d3r s ILE 4 Cb -0.13 -1.45 0.02 0.00 -1.58 0.00 0.00 42.46 39.32 2d3r s ILE 4 CO 0.17 0.48 -0.10 -0.69 -1.23 0.00 0.00 174.94 173.57 2d3r s VAL 5 N -0.08 1.10 0.16 2.92 1.01 -0.71 -1.48 120.40 123.33 2d3r s VAL 5 Ca -0.03 -0.39 -0.04 0.00 0.00 0.00 0.00 61.98 61.52 2d3r s VAL 5 Cb -0.12 -1.07 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 2d3r s VAL 5 CO 0.03 0.37 0.17 0.00 0.00 0.00 0.00 175.10 175.66 2d3r s ALA 6 N 1.25 0.61 -0.14 5.51 0.00 -0.22 -1.13 121.76 127.64 2d3r s ALA 6 Ca -0.03 -1.31 0.01 0.00 0.00 0.00 0.00 51.96 50.62 2d3r s ALA 6 Cb -0.14 0.99 0.02 0.00 0.00 0.00 0.00 23.12 23.99 2d3r s ALA 6 CO -0.03 -0.58 -0.14 0.08 0.00 0.00 0.00 175.76 175.08 2d3r s VAL 7 N -4.05 1.55 -0.12 0.00 1.01 0.93 -0.62 120.40 119.10 2d3r s VAL 7 Ca 0.25 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.56 2d3r s VAL 7 Cb 0.06 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 2d3r s VAL 7 CO 0.04 0.45 0.07 -1.83 0.00 0.00 0.00 175.10 173.83 2d3r s GLU 8 N 1.40 3.34 -0.89 2.72 -1.05 -0.07 -1.63 118.70 122.51 2d3r s GLU 8 Ca 0.03 -0.29 -0.01 0.00 -0.15 0.00 0.00 54.97 54.55 2d3r s GLU 8 Cb -0.13 -3.02 0.23 0.00 -0.44 0.00 0.00 34.13 30.77 2d3r s GLU 8 CO -0.09 0.66 0.86 1.28 0.95 0.00 0.00 175.26 178.92 2d3r n LEU 9 N 2.32 4.41 -4.59 1.83 4.32 0.15 -1.73 117.00 123.71 2d3r n LEU 9 Ca -0.19 -5.18 -0.43 0.00 -0.02 0.00 0.00 56.01 50.19 2d3r n LEU 9 Cb 0.54 -1.07 -0.02 0.00 -1.62 0.00 0.00 43.42 41.25 2d3r n LEU 9 CO 0.31 1.64 1.11 -0.62 -1.22 0.00 0.00 177.39 178.60 2d3r s ASP 10 N -0.61 6.48 0.00 -1.43 -1.08 -0.39 -2.77 116.67 116.89 2d3r s ASP 10 Ca 0.30 0.46 0.25 0.00 -0.52 0.00 0.00 52.55 53.04 2d3r s ASP 10 Cb -0.03 -2.55 0.46 0.00 -1.46 0.00 0.00 42.92 39.34 2d3r s ASP 10 CO -0.09 -1.38 1.38 0.35 0.52 0.00 0.00 175.17 175.95 2d3r n THR 11 N 6.88 0.00 -3.83 1.71 -2.24 -0.36 -2.33 114.28 114.11 2d3r n THR 11 Ca 0.12 -0.22 -0.20 0.00 -2.27 0.00 0.00 64.05 61.49 2d3r n THR 11 Cb 0.49 0.81 -0.17 0.00 -2.10 0.00 0.00 70.33 69.36 2d3r n THR 11 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2d3r s TYR 12 N -2.41 0.40 -0.64 4.78 5.04 -1.24 -4.59 117.35 118.70 2d3r s TYR 12 Ca 0.24 -0.01 -0.28 0.00 -2.44 0.00 0.00 57.07 54.58 2d3r s TYR 12 Cb 0.19 -0.57 0.03 0.00 0.35 0.00 0.00 41.96 41.96 2d3r s TYR 12 CO 0.51 -0.21 1.27 -2.14 -1.34 0.00 0.00 175.55 173.63 2d3r s PRO 13 N 1.59 3.34 -1.17 4.97 0.02 -1.26 -4.95 135.00 137.54 2d3r s PRO 13 Ca -0.02 0.09 -0.13 0.00 0.02 0.00 0.00 61.00 60.97 2d3r s PRO 13 Cb -0.13 -4.10 0.20 0.00 0.02 0.00 0.00 34.50 30.49 2d3r s PRO 13 CO -0.03 -1.92 1.33 -0.80 -0.33 0.00 0.00 177.00 175.25 2d3r s ASN 14 N 3.55 7.12 0.59 2.53 -0.87 -1.26 -4.88 114.94 121.72 2d3r s ASN 14 Ca 0.41 -3.12 0.29 0.00 -1.57 0.00 0.00 52.86 48.87 2d3r s ASN 14 Cb -0.08 -2.35 1.64 0.00 -0.02 0.00 0.00 41.25 40.44 2d3r s ASN 14 CO 0.21 -0.63 2.07 0.71 -2.57 0.00 0.00 177.10 176.89 2d3r h THR 15 N 4.43 0.45 0.00 1.60 1.35 -1.85 -1.64 112.91 117.24 2d3r h THR 15 Ca 0.27 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.13 2d3r h THR 15 Cb 0.88 0.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.11 2d3r h THR 15 CO 1.17 0.00 0.00 -2.24 -0.25 0.00 0.00 175.52 174.20 2d3r h ASP 16 N 0.00 0.00 -0.05 5.36 2.03 -1.90 -2.77 116.42 119.10 2d3r h ASP 16 Ca 0.10 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.40 2d3r h ASP 16 Cb 0.58 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.08 2d3r h ASP 16 CO -0.00 0.00 0.00 2.30 -1.03 0.00 0.00 179.24 180.51 2d3r n ILE 17 N -2.55 1.36 0.00 4.15 -5.35 -0.63 -4.99 119.36 111.34 2d3r n ILE 17 Ca 0.01 -1.45 0.00 0.00 -0.27 0.00 0.00 62.75 61.04 2d3r n ILE 17 Cb 0.24 0.22 0.00 0.00 -1.74 0.00 0.00 39.64 38.36 2d3r n ILE 17 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2d3r n GLY 18 N -0.71 0.69 3.75 3.28 0.00 -1.05 -4.69 105.19 106.47 2d3r n GLY 18 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 2d3r n GLY 18 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2d3r s ASP 19 N -2.10 6.37 0.95 1.61 1.11 -1.12 -4.88 116.67 118.62 2d3r s ASP 19 Ca 0.00 2.96 -0.11 0.00 0.18 0.00 0.00 52.55 55.58 2d3r s ASP 19 Cb 0.00 -2.64 0.17 0.00 1.07 0.00 0.00 42.92 41.52 2d3r s ASP 19 CO 0.00 -0.91 1.11 -2.16 1.18 0.00 0.00 175.17 174.39 2d3r s PRO 20 N -0.61 0.74 0.00 8.23 0.04 -1.26 -4.10 135.00 138.03 2d3r s PRO 20 Ca 0.62 1.33 -0.03 0.00 0.04 0.00 0.00 61.00 62.97 2d3r s PRO 20 Cb -0.48 -1.71 -0.13 0.00 0.04 0.00 0.00 34.50 32.23 2d3r s PRO 20 CO 0.49 -2.75 2.61 -1.71 0.04 0.00 0.00 177.00 175.68 2d3r n ASN 21 N -4.30 4.84 -3.50 6.66 2.85 -1.26 -4.67 115.26 115.88 2d3r n ASN 21 Ca 0.10 -2.34 -0.10 0.00 -0.11 0.00 0.00 54.58 52.12 2d3r n ASN 21 Cb 0.53 -1.17 -0.02 0.00 1.24 0.00 0.00 39.78 40.36 2d3r n ASN 21 CO 0.00 0.00 0.00 -0.72 -2.11 0.00 0.00 177.26 174.43 2d3r s TYR 22 N 0.68 -0.43 0.32 1.20 -0.85 -1.26 -5.02 117.35 111.99 2d3r s TYR 22 Ca 0.31 0.22 -0.29 0.00 -0.52 0.00 0.00 57.07 56.79 2d3r s TYR 22 Cb 0.15 0.57 -0.11 0.00 0.38 0.00 0.00 41.96 42.95 2d3r s TYR 22 CO 0.00 -0.77 1.55 -0.65 -1.52 0.00 0.00 175.55 174.16 2d3r s GLN 23 N -3.52 4.12 0.17 -3.49 -0.21 -1.26 -4.52 119.66 110.96 2d3r s GLN 23 Ca 0.04 2.57 -0.16 0.00 0.02 0.00 0.00 55.36 57.82 2d3r s GLN 23 Cb -0.01 -3.01 0.03 0.00 1.00 0.00 0.00 33.01 31.02 2d3r s GLN 23 CO -0.09 -0.59 0.46 -3.38 -2.12 0.00 0.00 175.29 169.57 2d3r s HIS 24 N -0.37 -0.11 0.07 0.91 -3.43 -0.98 -0.19 115.29 111.19 2d3r s HIS 24 Ca 0.60 -0.22 0.01 0.00 -0.80 0.00 0.00 55.06 54.65 2d3r s HIS 24 Cb -0.47 0.31 -0.04 0.00 -1.43 0.00 0.00 32.58 30.95 2d3r s HIS 24 CO 0.53 -0.82 0.16 0.96 -2.00 0.00 0.00 174.74 173.56 2d3r s ILE 25 N -3.85 5.06 0.01 -5.38 -4.36 -0.84 -1.26 121.20 110.57 2d3r s ILE 25 Ca 0.08 -0.54 -0.11 0.00 -0.26 0.00 0.00 60.65 59.82 2d3r s ILE 25 Cb 0.00 -3.46 0.01 0.00 1.25 0.00 0.00 42.46 40.27 2d3r s ILE 25 CO -0.06 0.13 0.22 -0.83 0.24 0.00 0.00 174.94 174.65 2d3r s GLY 26 N -2.47 -0.04 -0.39 6.27 0.00 -0.71 -1.64 107.32 108.35 2d3r s GLY 26 Ca 0.33 0.00 -0.13 0.00 0.00 0.00 0.00 44.72 44.92 2d3r s GLY 26 CO 0.26 -0.17 0.25 -0.42 0.00 0.00 0.00 173.10 173.01 2d3r s ILE 27 N -1.73 4.85 -0.18 0.90 1.01 -0.67 -0.89 121.20 124.48 2d3r s ILE 27 Ca -0.11 -0.81 -0.12 0.00 0.00 0.00 0.00 60.65 59.60 2d3r s ILE 27 Cb -0.05 -3.72 -0.05 0.00 0.01 0.00 0.00 42.46 38.65 2d3r s ILE 27 CO 0.01 -0.29 0.23 0.20 0.00 0.00 0.00 174.94 175.09 2d3r s ASN 28 N 1.64 6.33 -0.25 3.58 0.01 0.20 -1.54 114.94 124.91 2d3r s ASN 28 Ca 0.03 0.38 0.01 0.00 -0.71 0.00 0.00 52.86 52.57 2d3r s ASN 28 Cb -0.19 -2.15 0.07 0.00 0.41 0.00 0.00 41.25 39.39 2d3r s ASN 28 CO 0.08 0.11 -0.04 -0.63 -1.51 0.00 0.00 177.10 175.11 2d3r s ILE 29 N 0.54 1.63 -0.56 0.60 1.01 -1.26 -1.06 121.20 122.10 2d3r s ILE 29 Ca 0.13 -1.38 0.00 0.00 0.00 0.00 0.00 60.65 59.40 2d3r s ILE 29 Cb -0.12 -1.92 0.00 0.00 0.01 0.00 0.00 42.46 40.42 2d3r s ILE 29 CO 0.02 -0.18 0.00 0.29 0.00 0.00 0.00 174.94 175.07 2d3r n LYS 30 N 4.62 -1.85 -3.62 2.79 5.02 -0.55 -4.91 118.16 119.66 2d3r n LYS 30 Ca -0.10 0.65 -0.12 0.00 -2.02 0.00 0.00 58.31 56.72 2d3r n LYS 30 Cb 0.43 -5.02 -0.07 0.00 -0.02 0.00 0.00 35.03 30.36 2d3r n LYS 30 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2d3r s SER 31 N -2.08 -0.59 0.38 4.39 0.15 -1.26 -4.93 113.70 109.76 2d3r s SER 31 Ca 0.00 1.04 0.28 0.00 0.70 0.00 0.00 55.95 57.97 2d3r s SER 31 Cb 0.00 1.03 1.27 0.00 -1.71 0.00 0.00 66.02 66.61 2d3r s SER 31 CO 0.00 -0.26 1.84 -0.29 1.20 0.00 0.00 173.24 175.72 2d3r h ILE 32 N 3.60 0.00 -2.62 6.45 6.09 -1.86 -3.40 117.51 125.77 2d3r h ILE 32 Ca -0.27 -0.22 -0.54 0.00 -1.37 0.00 0.00 64.86 62.46 2d3r h ILE 32 Cb 1.16 0.98 -0.07 0.00 0.47 0.00 0.00 36.82 39.36 2d3r h ILE 32 CO 0.14 0.00 1.06 -0.13 -3.07 0.00 0.00 178.15 176.15 2d3r s ARG 33 N -3.54 3.26 0.32 2.19 0.52 -1.26 -4.98 118.95 115.46 2d3r s ARG 33 Ca 0.01 0.03 -0.29 0.00 -0.52 0.00 0.00 55.73 54.96 2d3r s ARG 33 Cb 0.09 -4.14 -0.10 0.00 0.52 0.00 0.00 34.95 31.31 2d3r s ARG 33 CO 0.38 -2.03 1.40 -1.12 0.02 0.00 0.00 175.30 173.95 2d3r s SER 34 N 3.88 6.62 0.45 0.23 0.01 -1.26 -4.70 113.70 118.93 2d3r s SER 34 Ca 0.41 2.78 0.24 0.00 1.31 0.00 0.00 55.95 60.70 2d3r s SER 34 Cb -0.08 -2.65 0.48 0.00 0.21 0.00 0.00 66.02 63.98 2d3r s SER 34 CO 0.19 -0.68 1.66 0.11 0.41 0.00 0.00 173.24 174.93 2d3r h LYS 35 N 3.80 0.00 -1.88 12.44 1.79 -1.63 -3.44 116.57 127.64 2d3r h LYS 35 Ca -0.49 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.02 2d3r h LYS 35 Cb 1.23 0.00 -0.23 0.00 -1.58 0.00 0.00 32.23 31.65 2d3r h LYS 35 CO 0.69 0.03 0.13 0.00 -1.08 0.00 0.00 179.45 179.22 2d3r s ALA 36 N -3.27 -1.96 0.29 3.86 0.00 -1.25 -5.02 121.76 114.41 2d3r s ALA 36 Ca 0.06 2.31 0.05 0.00 0.00 0.00 0.00 51.96 54.38 2d3r s ALA 36 Cb 0.06 -1.46 -0.06 0.00 0.00 0.00 0.00 23.12 21.66 2d3r s ALA 36 CO 0.66 -0.36 0.00 0.95 0.00 0.00 0.00 175.76 177.01 2d3r s THR 37 N 1.37 1.30 -0.02 0.00 -4.23 -1.26 -1.67 115.64 111.13 2d3r s THR 37 Ca -0.08 -2.05 -0.12 0.00 -1.18 0.00 0.00 61.69 58.26 2d3r s THR 37 Cb -0.05 -2.57 0.02 0.00 1.34 0.00 0.00 72.50 71.24 2d3r s THR 37 CO -0.16 -0.18 0.25 -0.89 -0.54 0.00 0.00 174.62 173.10 2d3r s THR 38 N -3.23 0.06 0.13 3.99 2.01 -0.65 -4.98 115.64 112.95 2d3r s THR 38 Ca 0.32 -0.47 -0.31 0.00 0.31 0.00 0.00 61.69 61.54 2d3r s THR 38 Cb 0.06 -0.53 -0.10 0.00 0.01 0.00 0.00 72.50 71.95 2d3r s THR 38 CO 0.13 -0.26 1.68 -0.60 -0.69 0.00 0.00 174.62 174.88 2d3r s ARG 39 N -1.13 4.18 -0.02 4.92 3.52 -1.26 -1.98 118.95 127.17 2d3r s ARG 39 Ca -0.12 2.44 0.03 0.00 -0.13 0.00 0.00 55.73 57.95 2d3r s ARG 39 Cb -0.05 -3.40 -0.00 0.00 -1.56 0.00 0.00 34.95 29.93 2d3r s ARG 39 CO 0.03 -0.73 -0.10 -0.46 -0.81 0.00 0.00 175.30 173.23 2d3r s TRP 40 N 2.05 1.03 -0.36 5.12 -0.00 0.74 -4.83 118.94 122.69 2d3r s TRP 40 Ca 0.75 -0.24 -0.05 0.00 -0.00 0.00 0.00 56.10 56.55 2d3r s TRP 40 Cb -0.44 -0.71 0.06 0.00 -0.00 0.00 0.00 33.47 32.39 2d3r s TRP 40 CO 0.33 -0.08 0.13 -0.80 -0.00 0.00 0.00 176.95 176.53 2d3r s ASN 41 N 0.03 5.27 0.31 5.86 0.01 -1.26 -3.83 114.94 121.32 2d3r s ASN 41 Ca -0.01 -1.43 -0.29 0.00 -0.71 0.00 0.00 52.86 50.42 2d3r s ASN 41 Cb -0.07 -1.85 -0.11 0.00 0.41 0.00 0.00 41.25 39.63 2d3r s ASN 41 CO 0.00 -0.40 1.52 -0.69 -1.51 0.00 0.00 177.10 176.03 2d3r s VAL 42 N 1.32 2.19 -0.40 1.60 1.01 -1.26 -4.98 120.40 119.88 2d3r s VAL 42 Ca 0.00 0.17 -0.08 0.00 0.00 0.00 0.00 61.98 62.07 2d3r s VAL 42 Cb -0.21 -3.11 0.07 0.00 0.00 0.00 0.00 36.38 33.13 2d3r s VAL 42 CO 0.00 0.03 0.23 -1.10 0.00 0.00 0.00 175.10 174.27 2d3r s GLN 43 N -1.01 2.57 0.21 2.72 -0.21 -1.26 -5.07 119.66 117.61 2d3r s GLN 43 Ca 0.59 -1.43 -0.32 0.00 0.02 0.00 0.00 55.36 54.22 2d3r s GLN 43 Cb -0.46 -3.72 -0.15 0.00 1.00 0.00 0.00 33.01 29.69 2d3r s GLN 43 CO 0.52 -0.91 1.25 -3.47 -2.12 0.00 0.00 175.29 170.56 2d3r n ASP 44 N 4.88 1.94 0.00 5.90 -0.08 -1.26 -2.01 116.55 125.92 2d3r n ASP 44 Ca -0.10 1.15 0.00 0.00 -1.51 0.00 0.00 54.79 54.33 2d3r n ASP 44 Cb 0.43 -1.31 0.00 0.00 2.34 0.00 0.00 41.12 42.58 2d3r n ASP 44 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2d3r n GLY 45 N 1.98 1.35 3.90 0.27 0.00 -0.18 -4.97 105.19 107.53 2d3r n GLY 45 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 2d3r n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2d3r s LYS 46 N -0.15 3.54 -0.22 1.61 -0.14 -0.85 -4.97 119.74 118.56 2d3r s LYS 46 Ca 0.00 -0.18 -0.23 0.00 -1.36 0.00 0.00 55.97 54.20 2d3r s LYS 46 Cb 0.00 -3.03 -0.01 0.00 -1.68 0.00 0.00 37.83 33.11 2d3r s LYS 46 CO 0.00 0.61 0.77 0.08 -0.76 0.00 0.00 175.35 176.05 2d3r s VAL 47 N -1.41 4.90 0.39 3.17 1.01 -1.26 -4.20 120.40 122.99 2d3r s VAL 47 Ca 0.31 1.46 0.08 0.00 0.00 0.00 0.00 61.98 63.83 2d3r s VAL 47 Cb -0.13 -4.07 -0.05 0.00 0.00 0.00 0.00 36.38 32.14 2d3r s VAL 47 CO 0.20 -0.01 0.17 -0.83 0.00 0.00 0.00 175.10 174.64 2d3r s GLY 48 N 1.30 2.18 0.01 4.51 0.00 -0.25 -4.14 107.32 110.94 2d3r s GLY 48 Ca 0.33 -2.00 0.04 0.00 0.00 0.00 0.00 44.72 43.10 2d3r s GLY 48 CO 0.09 -1.85 -0.13 -1.59 0.00 0.00 0.00 173.10 169.62 2d3r s THR 49 N -2.53 1.06 0.08 0.90 2.01 0.34 -0.75 115.64 116.74 2d3r s THR 49 Ca 0.40 -0.75 0.08 0.00 0.31 0.00 0.00 61.69 61.72 2d3r s THR 49 Cb 0.01 -0.92 -0.03 0.00 0.01 0.00 0.00 72.50 71.57 2d3r s THR 49 CO 0.23 0.16 -0.20 0.00 -0.69 0.00 0.00 174.62 174.11 2d3r s ALA 50 N -0.55 1.73 -0.06 7.40 0.00 -0.79 -0.48 121.76 129.00 2d3r s ALA 50 Ca 0.03 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 50.83 2d3r s ALA 50 Cb -0.06 -0.26 0.02 0.00 0.00 0.00 0.00 23.12 22.82 2d3r s ALA 50 CO 0.00 0.35 -0.05 -1.01 0.00 0.00 0.00 175.76 175.06 2d3r s HIS 51 N -1.07 0.93 -0.06 0.00 3.76 0.30 -2.87 115.29 116.29 2d3r s HIS 51 Ca 0.06 -0.32 0.05 0.00 -0.15 0.00 0.00 55.06 54.69 2d3r s HIS 51 Cb -0.10 -0.84 -0.02 0.00 1.11 0.00 0.00 32.58 32.74 2d3r s HIS 51 CO 0.03 -0.28 -0.20 0.42 -0.85 0.00 0.00 174.74 173.86 2d3r s ILE 52 N 1.25 2.52 0.02 0.60 1.01 0.02 -1.34 121.20 125.29 2d3r s ILE 52 Ca -0.05 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 59.70 2d3r s ILE 52 Cb -0.14 -1.96 -0.01 0.00 0.01 0.00 0.00 42.46 40.36 2d3r s ILE 52 CO -0.02 0.57 -0.04 -0.44 0.00 0.00 0.00 174.94 175.02 2d3r s SER 53 N -0.35 0.38 0.13 3.58 0.01 -0.20 -1.41 113.70 115.84 2d3r s SER 53 Ca 0.03 -0.30 -0.24 0.00 1.31 0.00 0.00 55.95 56.74 2d3r s SER 53 Cb -0.12 0.03 0.07 0.00 0.21 0.00 0.00 66.02 66.21 2d3r s SER 53 CO 0.02 -0.13 0.62 -0.47 0.41 0.00 0.00 173.24 173.69 2d3r s TYR 54 N -0.81 -0.55 -0.29 2.43 5.04 -0.85 -1.43 117.35 120.91 2d3r s TYR 54 Ca -0.07 0.41 -0.14 0.00 -2.44 0.00 0.00 57.07 54.83 2d3r s TYR 54 Cb -0.06 0.54 0.11 0.00 0.35 0.00 0.00 41.96 42.90 2d3r s TYR 54 CO -0.00 -0.81 0.73 1.21 -1.34 0.00 0.00 175.55 175.34 2d3r s ASN 55 N -2.57 -0.92 0.09 4.32 3.84 -1.26 -1.69 114.94 116.75 2d3r s ASN 55 Ca -0.00 1.40 0.20 0.00 0.21 0.00 0.00 52.86 54.68 2d3r s ASN 55 Cb -0.01 1.62 0.84 0.00 -0.55 0.00 0.00 41.25 43.15 2d3r s ASN 55 CO -0.10 -0.21 1.64 -1.54 -2.79 0.00 0.00 177.10 174.09 2d3r n SER 56 N 4.57 0.25 -0.09 -4.21 3.41 0.31 -0.96 113.62 116.90 2d3r n SER 56 Ca -0.17 0.55 -0.22 0.00 -0.26 0.00 0.00 58.87 58.77 2d3r n SER 56 Cb 0.56 -0.61 -0.12 0.00 -0.26 0.00 0.00 64.21 63.78 2d3r n SER 56 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2d3r h VAL 57 N 0.00 0.87 -0.30 -3.33 2.07 -1.91 -3.35 116.25 110.29 2d3r h VAL 57 Ca 0.00 -2.20 -0.07 0.00 0.82 0.00 0.00 66.70 65.25 2d3r h VAL 57 Cb 0.37 2.24 -0.02 0.00 -1.52 0.00 0.00 31.29 32.37 2d3r h VAL 57 CO 0.00 0.38 -0.11 0.00 0.02 0.00 0.00 177.57 177.86 2d3r h ALA 58 N -0.43 1.26 -6.19 1.67 0.00 -1.96 -3.47 119.26 110.14 2d3r h ALA 58 Ca -0.36 -0.26 -0.47 0.00 0.00 0.00 0.00 54.91 53.81 2d3r h ALA 58 Cb 1.40 -0.14 -0.11 0.00 0.00 0.00 0.00 17.79 18.94 2d3r h ALA 58 CO -0.18 0.49 -0.72 1.63 0.00 0.00 0.00 179.25 180.47 2d3r n LYS 59 N -4.21 -4.02 -4.27 0.00 5.02 -0.13 -4.98 118.16 105.57 2d3r n LYS 59 Ca 0.01 0.48 -0.29 0.00 -2.02 0.00 0.00 58.31 56.49 2d3r n LYS 59 Cb 0.31 -5.26 -0.17 0.00 -0.02 0.00 0.00 35.03 29.89 2d3r n LYS 59 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2d3r s ARG 60 N -6.54 2.17 -0.23 1.97 3.52 -1.26 -1.82 118.95 116.75 2d3r s ARG 60 Ca 0.62 -0.53 -0.16 0.00 -0.13 0.00 0.00 55.73 55.53 2d3r s ARG 60 Cb -0.32 -1.92 -0.04 0.00 -1.56 0.00 0.00 34.95 31.11 2d3r s ARG 60 CO 0.76 -0.14 0.41 -1.17 -0.81 0.00 0.00 175.30 174.35 2d3r s LEU 61 N 1.21 4.11 0.10 -0.88 2.96 -0.44 -4.41 118.68 121.32 2d3r s LEU 61 Ca -0.02 0.45 0.05 0.00 -0.22 0.00 0.00 54.13 54.39 2d3r s LEU 61 Cb -0.14 -2.51 -0.03 0.00 0.50 0.00 0.00 46.19 44.01 2d3r s LEU 61 CO -0.05 -0.14 -0.14 -0.94 -1.32 0.00 0.00 176.35 173.76 2d3r s SER 62 N 1.29 1.84 0.07 3.68 1.04 -0.51 -0.61 113.70 120.50 2d3r s SER 62 Ca 0.18 -0.75 0.03 0.00 0.48 0.00 0.00 55.95 55.90 2d3r s SER 62 Cb -0.15 -0.05 -0.03 0.00 0.10 0.00 0.00 66.02 65.88 2d3r s SER 62 CO 0.09 -0.13 -0.10 0.00 0.98 0.00 0.00 173.24 174.08 2d3r s ALA 63 N -1.87 0.92 -0.00 5.32 0.00 0.57 -1.03 121.76 125.66 2d3r s ALA 63 Ca 0.05 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.99 2d3r s ALA 63 Cb -0.06 0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.08 2d3r s ALA 63 CO 0.02 -0.01 -0.01 -1.50 0.00 0.00 0.00 175.76 174.26 2d3r s ILE 64 N -1.97 0.11 -0.06 0.00 1.10 -0.45 -1.38 121.20 118.55 2d3r s ILE 64 Ca -0.01 -0.04 -0.00 0.00 -0.51 0.00 0.00 60.65 60.09 2d3r s ILE 64 Cb -0.06 -0.12 0.02 0.00 0.15 0.00 0.00 42.46 42.46 2d3r s ILE 64 CO 0.00 0.04 -0.03 0.54 -2.11 0.00 0.00 174.94 173.38 2d3r s VAL 65 N 0.07 0.52 0.02 4.00 0.11 -0.00 -0.54 120.40 124.58 2d3r s VAL 65 Ca -0.00 -0.04 0.03 0.00 -2.93 0.00 0.00 61.98 59.04 2d3r s VAL 65 Cb -0.02 -0.59 -0.02 0.00 -1.53 0.00 0.00 36.38 34.22 2d3r s VAL 65 CO -0.00 0.25 -0.10 -0.94 -3.33 0.00 0.00 175.10 170.98 2d3r s SER 66 N 1.40 1.16 0.26 3.54 1.04 0.37 -1.20 113.70 120.25 2d3r s SER 66 Ca -0.03 -0.34 0.06 0.00 0.48 0.00 0.00 55.95 56.12 2d3r s SER 66 Cb -0.13 -0.07 -0.03 0.00 0.10 0.00 0.00 66.02 65.88 2d3r s SER 66 CO -0.03 0.01 0.33 -0.31 0.98 0.00 0.00 173.24 174.22 2d3r s TYR 67 N -0.67 3.32 0.96 5.02 2.02 -0.78 -0.51 117.35 126.71 2d3r s TYR 67 Ca -0.00 -0.07 -0.11 0.00 -0.37 0.00 0.00 57.07 56.52 2d3r s TYR 67 Cb -0.06 -1.58 0.13 0.00 -0.40 0.00 0.00 41.96 40.05 2d3r s TYR 67 CO 0.00 0.41 0.91 -2.30 -1.57 0.00 0.00 175.55 173.00 2d3r n PRO 68 N -1.38 -0.63 0.00 -1.71 -0.02 -1.26 -4.32 135.00 125.69 2d3r n PRO 68 Ca -0.08 -0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.28 2d3r n PRO 68 Cb 0.57 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 2d3r n PRO 68 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2d3r n GLY 69 N 0.70 0.77 0.02 -1.23 0.00 -1.26 -4.62 105.19 99.58 2d3r n GLY 69 Ca 0.10 -1.24 -0.02 0.00 0.00 0.00 0.00 46.02 44.85 2d3r n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d3r n GLY 70 N 0.00 -0.16 3.67 -0.02 0.00 -1.26 -5.06 105.19 102.36 2d3r n GLY 70 Ca 0.00 -0.06 -0.48 0.00 0.00 0.00 0.00 46.02 45.48 2d3r n GLY 70 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2d3r n SER 71 N -2.26 3.08 -3.87 1.61 3.41 -1.26 -4.86 113.62 109.47 2d3r n SER 71 Ca -0.07 1.04 -0.11 0.00 -0.26 0.00 0.00 58.87 59.47 2d3r n SER 71 Cb 0.62 -1.36 -0.09 0.00 -0.26 0.00 0.00 64.21 63.12 2d3r n SER 71 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2d3r s SER 72 N 2.52 0.05 -0.05 4.04 0.01 -1.26 -1.87 113.70 117.13 2d3r s SER 72 Ca 0.87 -0.33 -0.04 0.00 1.31 0.00 0.00 55.95 57.76 2d3r s SER 72 Cb -0.74 0.25 0.02 0.00 0.21 0.00 0.00 66.02 65.76 2d3r s SER 72 CO 0.47 -0.48 0.14 0.00 0.41 0.00 0.00 173.24 173.77 2d3r s ALA 73 N -2.15 -0.30 0.17 1.44 0.00 -0.34 -4.98 121.76 115.59 2d3r s ALA 73 Ca -0.08 0.48 0.11 0.00 0.00 0.00 0.00 51.96 52.46 2d3r s ALA 73 Cb -0.03 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 2d3r s ALA 73 CO -0.02 -0.10 -0.23 0.95 0.00 0.00 0.00 175.76 176.36 2d3r s THR 74 N 0.46 2.18 0.02 0.00 -4.23 -1.26 -0.82 115.64 112.00 2d3r s THR 74 Ca -0.03 -1.91 -0.08 0.00 -1.18 0.00 0.00 61.69 58.48 2d3r s THR 74 Cb -0.05 -2.00 0.00 0.00 1.34 0.00 0.00 72.50 71.80 2d3r s THR 74 CO -0.02 -0.10 0.16 0.54 -0.54 0.00 0.00 174.62 174.66 2d3r s VAL 75 N -1.56 0.10 -0.12 2.29 0.11 -0.48 -4.76 120.40 115.98 2d3r s VAL 75 Ca 0.17 -0.85 -0.14 0.00 -2.93 0.00 0.00 61.98 58.23 2d3r s VAL 75 Cb -0.08 -0.74 0.04 0.00 -1.53 0.00 0.00 36.38 34.06 2d3r s VAL 75 CO 0.08 -0.47 0.38 -0.55 -3.33 0.00 0.00 175.10 171.22 2d3r s SER 76 N -1.84 -0.38 -0.08 3.54 0.15 -1.26 -0.32 113.70 113.52 2d3r s SER 76 Ca -0.09 0.68 -0.05 0.00 0.70 0.00 0.00 55.95 57.20 2d3r s SER 76 Cb -0.03 0.72 0.03 0.00 -1.71 0.00 0.00 66.02 65.03 2d3r s SER 76 CO -0.02 -0.19 0.19 -0.47 1.20 0.00 0.00 173.24 173.95 2d3r s TYR 77 N -0.05 -0.22 -0.25 3.44 5.04 0.22 -4.88 117.35 120.65 2d3r s TYR 77 Ca -0.02 0.57 -0.24 0.00 -2.44 0.00 0.00 57.07 54.94 2d3r s TYR 77 Cb -0.03 0.01 -0.01 0.00 0.35 0.00 0.00 41.96 42.28 2d3r s TYR 77 CO 0.01 -0.16 0.81 -0.51 -1.34 0.00 0.00 175.55 174.36 2d3r s ASP 78 N 0.79 6.80 -0.20 4.32 1.01 -1.26 -1.33 116.67 126.79 2d3r s ASP 78 Ca -0.06 0.99 -0.26 0.00 0.71 0.00 0.00 52.55 53.93 2d3r s ASP 78 Cb -0.07 -2.42 0.07 0.00 1.01 0.00 0.00 42.92 41.50 2d3r s ASP 78 CO -0.04 -0.50 0.69 0.54 0.21 0.00 0.00 175.17 176.07 2d3r s VAL 79 N 2.81 0.00 -0.65 -1.27 0.11 -0.76 -4.99 120.40 115.66 2d3r s VAL 79 Ca 0.34 -0.01 -0.19 0.00 -2.93 0.00 0.00 61.98 59.19 2d3r s VAL 79 Cb -0.15 -0.98 0.11 0.00 -1.53 0.00 0.00 36.38 33.83 2d3r s VAL 79 CO 0.08 -0.00 0.78 -0.62 -3.33 0.00 0.00 175.10 172.00 2d3r s ASP 80 N -0.07 6.26 0.00 3.54 -1.08 -1.26 -4.36 116.67 119.70 2d3r s ASP 80 Ca -0.03 -1.52 0.09 0.00 -0.52 0.00 0.00 52.55 50.57 2d3r s ASP 80 Cb -0.04 -2.32 0.44 0.00 -1.46 0.00 0.00 42.92 39.54 2d3r s ASP 80 CO 0.03 -1.12 1.19 0.18 0.52 0.00 0.00 175.17 175.98 2d3r n LEU 81 N 6.37 0.00 -0.19 -1.34 4.77 -1.26 -1.66 117.00 123.69 2d3r n LEU 81 Ca -0.04 0.34 -0.08 0.00 -0.03 0.00 0.00 56.01 56.20 2d3r n LEU 81 Cb 0.44 -0.34 0.02 0.00 -2.33 0.00 0.00 43.42 41.21 2d3r n LEU 81 CO 0.57 -0.24 0.97 -1.13 -1.33 0.00 0.00 177.39 176.23 2d3r h ASN 82 N 0.00 0.75 1.52 -1.43 -0.73 -1.91 -2.34 115.58 111.43 2d3r h ASN 82 Ca 0.00 -0.17 -0.01 0.00 1.87 0.00 0.00 56.30 58.00 2d3r h ASN 82 Cb 0.10 -0.19 -0.00 0.00 0.27 0.00 0.00 38.32 38.50 2d3r h ASN 82 CO 0.00 0.71 -0.03 0.78 -0.37 0.00 0.00 177.43 178.52 2d3r h ASN 83 N 0.74 0.00 0.03 1.15 2.35 -1.75 -3.37 115.58 114.72 2d3r h ASN 83 Ca 0.18 0.00 -0.39 0.00 -0.55 0.00 0.00 56.30 55.54 2d3r h ASN 83 Cb 0.19 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.51 2d3r h ASN 83 CO -0.02 0.03 -2.29 -0.38 -1.65 0.00 0.00 177.43 173.12 2d3r n ILE 84 N -3.11 1.56 -3.94 2.81 2.08 -1.16 -5.00 119.36 112.60 2d3r n ILE 84 Ca 0.02 -0.50 -0.30 0.00 0.56 0.00 0.00 62.75 62.53 2d3r n ILE 84 Cb 0.44 -1.64 -0.04 0.00 -0.75 0.00 0.00 39.64 37.65 2d3r n ILE 84 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 2d3r s LEU 85 N -6.96 4.29 0.72 1.39 1.43 -0.89 -4.98 118.68 113.67 2d3r s LEU 85 Ca -0.33 0.21 -0.16 0.00 -1.03 0.00 0.00 54.13 52.83 2d3r s LEU 85 Cb 0.10 -2.89 0.02 0.00 0.03 0.00 0.00 46.19 43.44 2d3r s LEU 85 CO 0.61 0.14 1.12 -0.81 0.23 0.00 0.00 176.35 177.64 2d3r n PRO 86 N 0.11 0.63 -0.10 1.29 -0.04 -1.26 -4.88 135.00 130.75 2d3r n PRO 86 Ca -0.06 0.28 0.21 0.00 -0.04 0.00 0.00 63.50 63.89 2d3r n PRO 86 Cb 0.52 -2.36 0.65 0.00 -0.04 0.00 0.00 33.50 32.26 2d3r n PRO 86 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2d3r h GLU 87 N -0.14 0.12 -5.56 0.54 4.81 -1.95 -3.40 114.58 108.99 2d3r h GLU 87 Ca -0.48 -0.01 -0.58 0.00 -0.13 0.00 0.00 59.36 58.16 2d3r h GLU 87 Cb 1.33 -0.03 -0.31 0.00 0.63 0.00 0.00 28.75 30.38 2d3r h GLU 87 CO 0.49 0.08 -0.85 -1.58 -0.73 0.00 0.00 179.01 176.42 2d3r s TRP 88 N -5.12 1.80 0.35 0.92 0.52 -1.26 -1.62 118.94 114.52 2d3r s TRP 88 Ca -0.06 -0.46 0.04 0.00 0.02 0.00 0.00 56.10 55.63 2d3r s TRP 88 Cb 0.21 -1.19 -0.01 0.00 -1.15 0.00 0.00 33.47 31.32 2d3r s TRP 88 CO 0.75 -0.13 0.38 0.14 0.02 0.00 0.00 176.95 178.11 2d3r s VAL 89 N -0.14 0.00 0.05 4.03 -7.23 -0.63 -4.25 120.40 112.21 2d3r s VAL 89 Ca -0.00 -1.82 0.05 0.00 -1.81 0.00 0.00 61.98 58.40 2d3r s VAL 89 Cb -0.10 -2.58 -0.02 0.00 0.56 0.00 0.00 36.38 34.23 2d3r s VAL 89 CO 0.01 0.00 -0.14 -0.13 -0.31 0.00 0.00 175.10 174.53 2d3r s ARG 90 N -3.19 0.90 -0.05 4.82 0.52 -0.32 0.28 118.95 121.91 2d3r s ARG 90 Ca 0.36 -0.80 0.00 0.00 -0.52 0.00 0.00 55.73 54.78 2d3r s ARG 90 Cb 0.01 -0.91 -0.03 0.00 0.52 0.00 0.00 34.95 34.54 2d3r s ARG 90 CO 0.25 0.22 -0.03 0.14 0.02 0.00 0.00 175.30 175.91 2d3r s VAL 91 N -0.94 4.01 0.31 3.52 -7.23 -1.26 -2.00 120.40 116.82 2d3r s VAL 91 Ca 0.01 -0.46 -0.02 0.00 -1.81 0.00 0.00 61.98 59.70 2d3r s VAL 91 Cb -0.08 -2.71 -0.01 0.00 0.56 0.00 0.00 36.38 34.14 2d3r s VAL 91 CO 0.01 0.52 0.40 -0.83 -0.31 0.00 0.00 175.10 174.90 2d3r s GLY 92 N -1.09 1.53 -0.08 2.32 0.00 0.17 -1.53 107.32 108.65 2d3r s GLY 92 Ca 0.15 -1.57 0.04 0.00 0.00 0.00 0.00 44.72 43.34 2d3r s GLY 92 CO 0.05 -1.09 -0.20 1.08 0.00 0.00 0.00 173.10 172.94 2d3r s LEU 93 N -3.23 1.95 0.14 0.66 1.43 0.31 -1.32 118.68 118.62 2d3r s LEU 93 Ca 0.32 -0.46 0.06 0.00 -1.03 0.00 0.00 54.13 53.02 2d3r s LEU 93 Cb 0.01 -1.20 -0.04 0.00 0.03 0.00 0.00 46.19 44.99 2d3r s LEU 93 CO 0.19 0.13 -0.13 -0.94 0.23 0.00 0.00 176.35 175.84 2d3r s SER 94 N 0.35 1.98 0.09 2.29 1.04 -0.31 -0.76 113.70 118.37 2d3r s SER 94 Ca -0.15 -0.89 -0.10 0.00 0.48 0.00 0.00 55.95 55.30 2d3r s SER 94 Cb -0.16 -0.06 0.00 0.00 0.10 0.00 0.00 66.02 65.90 2d3r s SER 94 CO 0.06 -0.20 0.21 0.00 0.98 0.00 0.00 173.24 174.29 2d3r s ALA 95 N -2.58 -0.31 0.01 5.32 0.00 -0.03 0.32 121.76 124.48 2d3r s ALA 95 Ca 0.12 -0.53 -0.16 0.00 0.00 0.00 0.00 51.96 51.39 2d3r s ALA 95 Cb -0.02 0.50 0.03 0.00 0.00 0.00 0.00 23.12 23.62 2d3r s ALA 95 CO 0.03 -0.52 0.35 -1.54 0.00 0.00 0.00 175.76 174.08 2d3r s SER 96 N -2.81 -0.22 0.16 0.00 1.04 -1.16 -1.52 113.70 109.20 2d3r s SER 96 Ca 0.04 0.03 0.10 0.00 0.48 0.00 0.00 55.95 56.61 2d3r s SER 96 Cb 0.04 0.36 -0.04 0.00 0.10 0.00 0.00 66.02 66.48 2d3r s SER 96 CO -0.11 -0.54 -0.22 0.42 0.98 0.00 0.00 173.24 173.77 2d3r s THR 97 N -1.85 2.10 0.00 2.02 -4.23 0.82 -1.23 115.64 113.27 2d3r s THR 97 Ca -0.10 -1.90 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 2d3r s THR 97 Cb -0.03 -1.95 0.00 0.00 1.34 0.00 0.00 72.50 71.86 2d3r s THR 97 CO 0.01 -0.14 0.00 0.61 -0.54 0.00 0.00 174.62 174.57 2d3r n GLY 98 N 0.47 1.33 0.16 3.99 0.00 -1.26 -3.00 105.19 106.87 2d3r n GLY 98 Ca -0.14 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.74 2d3r n GLY 98 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2d3r h LEU 99 N 0.00 -0.27-10.00 0.99 5.85 -1.95 -0.27 115.31 109.65 2d3r h LEU 99 Ca 0.00 -0.09 -0.47 0.00 0.84 0.00 0.00 57.88 58.17 2d3r h LEU 99 Cb 0.00 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.11 2d3r h LEU 99 CO 0.00 -0.08 0.38 -0.31 -0.34 0.00 0.00 178.44 178.09 2d3r s TYR 100 N -5.59 3.28 0.24 1.25 2.02 -1.26 -4.79 117.35 112.49 2d3r s TYR 100 Ca -0.15 1.64 0.07 0.00 -0.37 0.00 0.00 57.07 58.27 2d3r s TYR 100 Cb 0.04 -3.01 -0.05 0.00 -0.40 0.00 0.00 41.96 38.54 2d3r s TYR 100 CO 0.62 -0.42 -0.11 -1.59 -1.57 0.00 0.00 175.55 172.49 2d3r s LYS 101 N -2.78 1.43 0.13 -0.62 -2.85 -1.25 -4.12 119.74 109.68 2d3r s LYS 101 Ca 0.60 -1.67 -0.20 0.00 -1.00 0.00 0.00 55.97 53.70 2d3r s LYS 101 Cb -0.17 -1.14 0.05 0.00 -2.06 0.00 0.00 37.83 34.52 2d3r s LYS 101 CO 0.21 0.12 0.50 -1.83 0.10 0.00 0.00 175.35 174.46 2d3r s GLU 102 N -3.68 1.16 0.13 1.78 -1.05 -1.17 -3.99 118.70 111.88 2d3r s GLU 102 Ca 0.26 -0.55 -0.30 0.00 -0.15 0.00 0.00 54.97 54.23 2d3r s GLU 102 Cb 0.01 0.52 -0.07 0.00 -0.44 0.00 0.00 34.13 34.16 2d3r s GLU 102 CO 0.09 -0.48 1.14 0.95 0.95 0.00 0.00 175.26 177.92 2d3r s THR 103 N -3.62 3.93 -0.82 1.83 -4.23 -0.67 -4.69 115.64 107.37 2d3r s THR 103 Ca 0.01 1.54 0.00 0.00 -1.18 0.00 0.00 61.69 62.07 2d3r s THR 103 Cb 0.00 -3.99 0.20 0.00 1.34 0.00 0.00 72.50 70.06 2d3r s THR 103 CO -0.11 0.21 0.67 0.20 -0.54 0.00 0.00 174.62 175.05 2d3r s ASN 104 N 0.37 5.60 -0.18 3.99 0.02 -1.26 -3.74 114.94 119.73 2d3r s ASN 104 Ca 0.53 -3.71 -0.08 0.00 -1.02 0.00 0.00 52.86 48.58 2d3r s ASN 104 Cb -0.29 -1.82 -0.04 0.00 0.02 0.00 0.00 41.25 39.11 2d3r s ASN 104 CO 0.33 -0.16 0.07 -0.89 0.02 0.00 0.00 177.10 176.47 2d3r s THR 105 N -1.30 4.89 -0.16 1.60 2.01 -1.18 -2.39 115.64 119.11 2d3r s THR 105 Ca 0.26 -0.00 -0.05 0.00 0.31 0.00 0.00 61.69 62.21 2d3r s THR 105 Cb -0.07 -3.20 -0.03 0.00 0.01 0.00 0.00 72.50 69.20 2d3r s THR 105 CO -0.13 0.46 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.63 2d3r s ILE 106 N 0.31 4.18 -0.08 1.82 -1.09 0.31 -1.32 121.20 125.33 2d3r s ILE 106 Ca 0.04 -0.26 0.16 0.00 -2.23 0.00 0.00 60.65 58.36 2d3r s ILE 106 Cb -0.12 -2.84 -0.24 0.00 -1.58 0.00 0.00 42.46 37.68 2d3r s ILE 106 CO -0.00 0.49 0.38 0.18 -1.23 0.00 0.00 174.94 174.76 2d3r n LEU 107 N 3.44 0.06 -3.49 2.97 4.32 -0.37 -0.95 117.00 122.99 2d3r n LEU 107 Ca -0.17 -0.04 -0.15 0.00 -0.02 0.00 0.00 56.01 55.63 2d3r n LEU 107 Cb 0.52 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.28 2d3r n LEU 107 CO 0.33 0.01 0.40 -0.94 -1.22 0.00 0.00 177.39 175.98 2d3r s SER 108 N -3.73 -0.60 -0.19 -1.43 1.04 -1.24 -4.33 113.70 103.22 2d3r s SER 108 Ca -0.05 0.38 -0.26 0.00 0.48 0.00 0.00 55.95 56.51 2d3r s SER 108 Cb 0.10 0.55 0.07 0.00 0.10 0.00 0.00 66.02 66.84 2d3r s SER 108 CO 0.66 -0.76 0.67 0.86 0.98 0.00 0.00 173.24 175.66 2d3r s TRP 109 N -2.30 -0.71 0.04 5.02 -0.00 0.81 -2.05 118.94 119.76 2d3r s TRP 109 Ca -0.06 1.59 -0.21 0.00 -0.00 0.00 0.00 56.10 57.42 2d3r s TRP 109 Cb -0.00 0.29 0.05 0.00 -0.00 0.00 0.00 33.47 33.81 2d3r s TRP 109 CO -0.00 -0.43 0.49 -1.54 -0.00 0.00 0.00 176.95 175.46 2d3r s SER 110 N -0.13 -0.39 -0.13 5.86 1.04 0.72 0.96 113.70 121.63 2d3r s SER 110 Ca -0.04 0.13 -0.05 0.00 0.48 0.00 0.00 55.95 56.47 2d3r s SER 110 Cb -0.03 0.47 0.06 0.00 0.10 0.00 0.00 66.02 66.62 2d3r s SER 110 CO 0.04 -0.70 0.28 0.12 0.98 0.00 0.00 173.24 173.96 2d3r s PHE 111 N -2.43 -0.45 -0.13 5.02 5.36 -0.50 -1.49 117.98 123.36 2d3r s PHE 111 Ca -0.05 1.01 -0.04 0.00 -0.96 0.00 0.00 56.93 56.88 2d3r s PHE 111 Cb -0.01 0.02 -0.03 0.00 -0.34 0.00 0.00 43.02 42.66 2d3r s PHE 111 CO -0.02 -0.34 0.01 0.99 -1.46 0.00 0.00 175.22 174.39 2d3r s THR 112 N 2.18 4.31 -0.05 0.12 2.01 -0.56 -2.17 115.64 121.49 2d3r s THR 112 Ca -0.01 -0.22 0.03 0.00 0.31 0.00 0.00 61.69 61.79 2d3r s THR 112 Cb -0.12 -2.87 0.01 0.00 0.01 0.00 0.00 72.50 69.53 2d3r s THR 112 CO -0.09 0.54 -0.13 -0.55 -0.69 0.00 0.00 174.62 173.70 2d3r s SER 113 N -0.21 1.71 0.03 3.53 0.15 -0.17 -0.80 113.70 117.93 2d3r s SER 113 Ca 0.05 -0.28 0.06 0.00 0.70 0.00 0.00 55.95 56.49 2d3r s SER 113 Cb -0.12 -0.62 -0.02 0.00 -1.71 0.00 0.00 66.02 63.54 2d3r s SER 113 CO 0.02 0.07 -0.19 -0.54 1.20 0.00 0.00 173.24 173.80 2d3r s LYS 114 N 0.38 1.34 -0.20 5.44 1.02 0.79 -1.17 119.74 127.34 2d3r s LYS 114 Ca -0.09 -0.82 -0.01 0.00 0.02 0.00 0.00 55.97 55.08 2d3r s LYS 114 Cb -0.13 -1.39 0.01 0.00 -0.52 0.00 0.00 37.83 35.81 2d3r s LYS 114 CO 0.02 0.36 -0.14 -0.51 -0.92 0.00 0.00 175.35 174.17 2d3r s LEU 115 N -0.94 2.49 0.15 3.17 2.01 0.54 -1.22 118.68 124.88 2d3r s LEU 115 Ca 0.06 -0.60 0.06 0.00 0.01 0.00 0.00 54.13 53.67 2d3r s LEU 115 Cb -0.08 -1.58 -0.04 0.00 0.01 0.00 0.00 46.19 44.50 2d3r s LEU 115 CO 0.01 -0.02 0.00 -0.75 1.01 0.00 0.00 176.35 176.60 2d3r s LYS 116 N 1.35 2.46 0.00 1.70 2.20 0.94 -0.60 119.74 127.79 2d3r s LYS 116 Ca 0.05 -1.01 0.00 0.00 -0.36 0.00 0.00 55.97 54.65 2d3r s LYS 116 Cb -0.14 -2.43 0.00 0.00 -1.51 0.00 0.00 37.83 33.76 2d3r s LYS 116 CO -0.09 0.48 0.00 -2.37 -0.36 0.00 0.00 175.35 173.01 2d3r n THR 117 N 0.11 0.00 -1.76 3.43 5.66 -1.26 -0.86 114.28 119.59 2d3r n THR 117 Ca -0.10 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.48 2d3r n THR 117 Cb 0.54 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 69.32 2d3r n THR 117 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 2d3r n ASN 118 N 0.00 4.44 0.00 1.09 3.02 -1.26 -4.76 115.26 117.79 2d3r n ASN 118 Ca 0.00 -2.85 0.00 0.00 -0.03 0.00 0.00 54.58 51.70 2d3r n ASN 118 Cb 0.00 -1.63 0.00 0.00 -0.61 0.00 0.00 39.78 37.54 2d3r n ASN 118 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2d3r n SER 119 N 5.61 0.00 -0.00 6.41 2.88 -1.26 -4.95 113.62 122.30 2d3r n SER 119 Ca 0.53 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 58.14 2d3r n SER 119 Cb 0.37 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.74 2d3r n SER 119 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2d3r n THR 120 N 1.81 0.00 -1.52 2.46 -1.04 -1.26 -4.85 114.28 109.89 2d3r n THR 120 Ca 0.00 -0.15 -0.40 0.00 -2.04 0.00 0.00 64.05 61.46 2d3r n THR 120 Cb 0.00 0.93 -0.08 0.00 -1.82 0.00 0.00 70.33 69.36 2d3r n THR 120 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2d3r n ALA 121 N -1.42 0.65 -1.67 2.41 0.00 -1.26 -4.89 120.51 114.33 2d3r n ALA 121 Ca 0.03 -0.57 -0.46 0.00 0.00 0.00 0.00 53.44 52.44 2d3r n ALA 121 Cb 0.26 -2.77 -0.04 0.00 0.00 0.00 0.00 19.45 16.90 2d3r n ALA 121 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2d3r n ASP 122 N 13.05 3.20 -0.22 0.00 8.00 -1.26 -4.40 116.55 134.91 2d3r n ASP 122 Ca 0.48 1.07 -0.04 0.00 0.71 0.00 0.00 54.79 57.02 2d3r n ASP 122 Cb 0.31 -1.44 0.07 0.00 -0.02 0.00 0.00 41.12 40.04 2d3r n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2d3r h ALA 123 N 6.21 0.83 -2.14 2.24 0.00 -1.16 -3.45 119.26 121.80 2d3r h ALA 123 Ca -0.45 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.38 2d3r h ALA 123 Cb 1.25 -0.18 -0.20 0.00 0.00 0.00 0.00 17.79 18.66 2d3r h ALA 123 CO 0.90 0.12 0.07 -1.14 0.00 0.00 0.00 179.25 179.20 2d3r s GLN 124 N -6.12 0.89 0.06 0.00 0.74 -1.11 -5.02 119.66 109.11 2d3r s GLN 124 Ca -0.13 0.43 -0.26 0.00 0.05 0.00 0.00 55.36 55.45 2d3r s GLN 124 Cb 0.15 0.42 0.08 0.00 1.10 0.00 0.00 33.01 34.76 2d3r s GLN 124 CO 0.76 -0.22 0.69 -1.54 -0.55 0.00 0.00 175.29 174.43 2d3r s SER 125 N -0.64 -0.54 0.01 6.67 1.04 -1.26 -0.34 113.70 118.64 2d3r s SER 125 Ca -0.07 0.20 0.01 0.00 0.48 0.00 0.00 55.95 56.57 2d3r s SER 125 Cb -0.02 0.53 -0.01 0.00 0.10 0.00 0.00 66.02 66.62 2d3r s SER 125 CO 0.06 -0.78 -0.04 -0.22 0.98 0.00 0.00 173.24 173.24 2d3r s LEU 126 N -2.22 2.09 -0.17 2.42 2.96 -0.32 -5.01 118.68 118.43 2d3r s LEU 126 Ca -0.01 -0.21 -0.06 0.00 -0.22 0.00 0.00 54.13 53.62 2d3r s LEU 126 Cb -0.01 -0.12 0.08 0.00 0.50 0.00 0.00 46.19 46.65 2d3r s LEU 126 CO -0.06 -0.06 0.36 -2.28 -1.32 0.00 0.00 176.35 172.99 2d3r s HIS 127 N -0.52 -0.66 0.09 5.38 5.65 -1.26 -1.00 115.29 122.97 2d3r s HIS 127 Ca -0.03 1.30 0.06 0.00 0.25 0.00 0.00 55.06 56.64 2d3r s HIS 127 Cb -0.04 0.17 -0.03 0.00 -1.18 0.00 0.00 32.58 31.50 2d3r s HIS 127 CO -0.00 -0.44 -0.16 -0.59 -0.65 0.00 0.00 174.74 172.90 2d3r s PHE 128 N 2.54 1.40 -0.04 3.88 -0.12 -0.92 -5.00 117.98 119.72 2d3r s PHE 128 Ca -0.00 -0.46 -0.01 0.00 -0.05 0.00 0.00 56.93 56.40 2d3r s PHE 128 Cb -0.12 -0.77 0.03 0.00 -0.63 0.00 0.00 43.02 41.53 2d3r s PHE 128 CO -0.11 0.11 0.08 0.99 -0.05 0.00 0.00 175.22 176.24 2d3r s THR 129 N -1.37 -0.08 -0.10 -4.49 2.01 -1.26 -1.41 115.64 108.94 2d3r s THR 129 Ca 0.02 0.25 0.03 0.00 0.31 0.00 0.00 61.69 62.30 2d3r s THR 129 Cb -0.09 -0.16 -0.01 0.00 0.01 0.00 0.00 72.50 72.25 2d3r s THR 129 CO 0.03 0.10 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.50 2d3r s PHE 130 N 1.38 2.62 0.00 4.92 0.08 0.27 -4.96 117.98 122.29 2d3r s PHE 130 Ca -0.06 -0.84 0.00 0.00 0.12 0.00 0.00 56.93 56.15 2d3r s PHE 130 Cb -0.12 -1.73 0.00 0.00 -0.57 0.00 0.00 43.02 40.60 2d3r s PHE 130 CO -0.04 -0.30 0.00 0.09 -0.10 0.00 0.00 175.22 174.87 2d3r n ASN 131 N 3.37 3.68 -3.94 1.36 3.02 -1.26 -0.13 115.26 121.36 2d3r n ASN 131 Ca -0.18 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.18 2d3r n ASN 131 Cb 0.53 0.55 -0.16 0.00 -0.61 0.00 0.00 39.78 40.09 2d3r n ASN 131 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 2d3r s GLN 132 N -1.61 0.76 -0.26 3.52 2.00 -1.26 -4.55 119.66 118.25 2d3r s GLN 132 Ca 0.00 -0.17 -0.15 0.00 -2.00 0.00 0.00 55.36 53.03 2d3r s GLN 132 Cb 0.00 -0.75 -0.04 0.00 0.80 0.00 0.00 33.01 33.03 2d3r s GLN 132 CO 0.00 0.02 0.40 -0.06 -0.50 0.00 0.00 175.29 175.14 2d3r s PHE 133 N 0.48 3.26 0.86 1.67 0.08 -1.03 -5.06 117.98 118.24 2d3r s PHE 133 Ca -0.06 0.46 -0.12 0.00 0.12 0.00 0.00 56.93 57.32 2d3r s PHE 133 Cb -0.10 -2.59 0.09 0.00 -0.57 0.00 0.00 43.02 39.85 2d3r s PHE 133 CO 0.00 -0.22 1.03 -1.13 -0.10 0.00 0.00 175.22 174.80 2d3r n SER 134 N 5.31 0.22 0.00 1.36 3.41 -1.26 -4.31 113.62 118.36 2d3r n SER 134 Ca -0.08 0.49 0.03 0.00 -0.26 0.00 0.00 58.87 59.05 2d3r n SER 134 Cb 0.51 -1.44 0.15 0.00 -0.26 0.00 0.00 64.21 63.17 2d3r n SER 134 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2d3r n GLN 135 N -3.26 0.08 -2.82 4.33 7.27 -1.26 -3.60 117.38 118.12 2d3r n GLN 135 Ca 0.12 0.23 -0.11 0.00 0.07 0.00 0.00 57.00 57.31 2d3r n GLN 135 Cb 0.51 -1.50 0.03 0.00 2.41 0.00 0.00 30.24 31.70 2d3r n GLN 135 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 2d3r n ASN 136 N -1.29 -2.37 -4.57 1.69 5.15 -1.26 -4.75 115.26 107.86 2d3r n ASN 136 Ca 0.03 -3.23 -0.41 0.00 -0.60 0.00 0.00 54.58 50.37 2d3r n ASN 136 Cb 0.05 1.44 -0.03 0.00 -0.53 0.00 0.00 39.78 40.71 2d3r n ASN 136 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2d3r s PRO 137 N 0.36 3.03 0.00 1.20 0.04 -1.24 -4.83 135.00 133.56 2d3r s PRO 137 Ca 0.32 0.86 0.22 0.00 0.04 0.00 0.00 61.00 62.44 2d3r s PRO 137 Cb 0.22 -4.26 1.00 0.00 0.04 0.00 0.00 34.50 31.51 2d3r s PRO 137 CO -0.22 -2.24 1.72 1.63 0.04 0.00 0.00 177.00 177.93 2d3r n LYS 138 N 8.78 0.08 0.00 4.56 4.76 -1.26 -2.20 118.16 132.88 2d3r n LYS 138 Ca 0.19 0.11 0.12 0.00 -2.87 0.00 0.00 58.31 55.86 2d3r n LYS 138 Cb 0.50 -1.50 0.25 0.00 -1.84 0.00 0.00 35.03 32.43 2d3r n LYS 138 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2d3r n ASP 139 N -1.45 1.70 -4.52 4.39 5.75 -1.26 -4.90 116.55 116.27 2d3r n ASP 139 Ca 0.07 -1.35 -0.34 0.00 -0.01 0.00 0.00 54.79 53.16 2d3r n ASP 139 Cb 0.24 0.20 -0.12 0.00 -1.03 0.00 0.00 41.12 40.41 2d3r n ASP 139 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2d3r s LEU 140 N -2.33 3.05 -0.56 -2.12 1.43 -0.94 -0.16 118.68 117.06 2d3r s LEU 140 Ca 0.25 -0.11 -0.21 0.00 -1.03 0.00 0.00 54.13 53.03 2d3r s LEU 140 Cb 0.19 -1.68 0.06 0.00 0.03 0.00 0.00 46.19 44.80 2d3r s LEU 140 CO 0.47 0.30 0.77 -0.63 0.23 0.00 0.00 176.35 177.49 2d3r s ILE 141 N -0.41 4.65 -0.14 -0.59 1.01 0.11 -4.89 121.20 120.96 2d3r s ILE 141 Ca 0.06 -0.35 -0.19 0.00 0.00 0.00 0.00 60.65 60.17 2d3r s ILE 141 Cb -0.12 -4.45 -0.04 0.00 0.01 0.00 0.00 42.46 37.86 2d3r s ILE 141 CO 0.02 -1.04 0.53 -0.76 0.00 0.00 0.00 174.94 173.69 2d3r s LEU 142 N 3.21 4.24 0.16 2.97 1.43 -1.26 -1.37 118.68 128.06 2d3r s LEU 142 Ca 0.20 0.84 0.09 0.00 -1.03 0.00 0.00 54.13 54.22 2d3r s LEU 142 Cb -0.18 -2.77 -0.04 0.00 0.03 0.00 0.00 46.19 43.23 2d3r s LEU 142 CO 0.13 -0.08 -0.20 -1.10 0.23 0.00 0.00 176.35 175.33 2d3r s GLN 143 N 0.98 1.32 4.78 1.70 -0.21 -0.37 -4.99 119.66 122.86 2d3r s GLN 143 Ca 0.27 -1.40 0.00 0.00 0.02 0.00 0.00 55.36 54.25 2d3r s GLN 143 Cb -0.16 -1.48 0.00 0.00 1.00 0.00 0.00 33.01 32.37 2d3r s GLN 143 CO 0.11 0.31 0.00 0.41 -2.12 0.00 0.00 175.29 174.01 2d3r n GLY 144 N 0.41 1.73 0.00 3.09 0.00 -1.26 -2.06 105.19 107.09 2d3r n GLY 144 Ca -0.14 -0.56 0.13 0.00 0.00 0.00 0.00 46.02 45.45 2d3r n GLY 144 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2d3r n ASP 145 N -0.52 0.00 -4.74 1.61 9.92 0.37 -4.90 116.55 118.29 2d3r n ASP 145 Ca 0.00 -0.69 -0.41 0.00 -0.53 0.00 0.00 54.79 53.16 2d3r n ASP 145 Cb 0.00 -0.05 -0.02 0.00 -0.64 0.00 0.00 41.12 40.41 2d3r n ASP 145 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2d3r s ALA 146 N -2.09 3.67 0.32 2.24 0.00 -0.85 -4.33 121.76 120.73 2d3r s ALA 146 Ca 0.36 1.38 -0.15 0.00 0.00 0.00 0.00 51.96 53.55 2d3r s ALA 146 Cb 0.18 -3.58 0.03 0.00 0.00 0.00 0.00 23.12 19.74 2d3r s ALA 146 CO 0.31 -0.79 0.68 -1.54 0.00 0.00 0.00 175.76 174.42 2d3r s SER 147 N 0.52 0.01 -0.14 0.00 1.04 -0.74 -4.69 113.70 109.70 2d3r s SER 147 Ca 0.62 -0.98 -0.00 0.00 0.48 0.00 0.00 55.95 56.07 2d3r s SER 147 Cb -0.43 0.75 -0.01 0.00 0.10 0.00 0.00 66.02 66.42 2d3r s SER 147 CO 0.42 -1.45 -0.13 0.42 0.98 0.00 0.00 173.24 173.48 2d3r s THR 148 N -3.19 3.04 1.01 2.02 -4.23 -1.26 -0.99 115.64 112.04 2d3r s THR 148 Ca 0.17 -0.66 -0.16 0.00 -1.18 0.00 0.00 61.69 59.85 2d3r s THR 148 Cb -0.04 -2.28 0.21 0.00 1.34 0.00 0.00 72.50 71.73 2d3r s THR 148 CO 0.11 0.52 1.26 1.51 -0.54 0.00 0.00 174.62 177.47 2d3r s ASP 149 N 0.44 2.70 0.00 3.99 1.47 -0.37 -4.93 116.67 119.98 2d3r s ASP 149 Ca -0.10 0.41 0.16 0.00 1.18 0.00 0.00 52.55 54.21 2d3r s ASP 149 Cb -0.16 -0.54 0.98 0.00 -0.34 0.00 0.00 42.92 42.86 2d3r s ASP 149 CO 0.05 -3.00 1.53 -1.54 0.68 0.00 0.00 175.17 172.89 2d3r n SER 150 N -3.97 0.00 0.04 2.11 3.41 -1.26 -2.39 113.62 111.56 2d3r n SER 150 Ca 0.14 -1.21 0.11 0.00 -0.26 0.00 0.00 58.87 57.65 2d3r n SER 150 Cb 0.59 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.56 2d3r n SER 150 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2d3r n ASP 151 N -0.80 0.61 -0.22 4.04 8.00 -1.26 -4.95 116.55 121.97 2d3r n ASP 151 Ca 0.12 -0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.56 2d3r n ASP 151 Cb 0.06 0.76 0.00 0.00 -0.02 0.00 0.00 41.12 41.92 2d3r n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2d3r n GLY 152 N 1.32 0.89 3.79 0.44 0.00 -1.00 -4.93 105.19 105.70 2d3r n GLY 152 Ca 0.01 -0.58 -0.22 0.00 0.00 0.00 0.00 46.02 45.23 2d3r n GLY 152 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2d3r s ASN 153 N -2.75 5.26 -0.33 1.61 0.01 -1.26 -2.47 114.94 115.00 2d3r s ASN 153 Ca 0.00 -0.39 -0.03 0.00 -0.71 0.00 0.00 52.86 51.73 2d3r s ASN 153 Cb 0.00 -1.20 0.06 0.00 0.41 0.00 0.00 41.25 40.52 2d3r s ASN 153 CO 0.00 -0.09 0.06 -0.22 -1.51 0.00 0.00 177.10 175.34 2d3r s LEU 154 N -3.84 4.28 -0.70 0.60 2.96 -0.12 -1.23 118.68 120.62 2d3r s LEU 154 Ca 0.34 -1.41 -0.18 0.00 -0.22 0.00 0.00 54.13 52.65 2d3r s LEU 154 Cb -0.07 -1.77 0.13 0.00 0.50 0.00 0.00 46.19 44.98 2d3r s LEU 154 CO 0.24 -0.33 0.81 -1.10 -1.32 0.00 0.00 176.35 174.65 2d3r s GLN 155 N 1.26 3.24 0.25 1.98 -1.52 -0.16 -0.53 119.66 124.19 2d3r s GLN 155 Ca -0.02 -1.56 -0.04 0.00 -1.95 0.00 0.00 55.36 51.79 2d3r s GLN 155 Cb -0.20 -4.42 0.35 0.00 -0.22 0.00 0.00 33.01 28.52 2d3r s GLN 155 CO -0.01 -1.57 1.87 -0.07 -0.25 0.00 0.00 175.29 175.27 2d3r h LEU 156 N 9.80 0.96 -9.44 2.90 3.38 -1.70 -1.98 115.31 119.23 2d3r h LEU 156 Ca -0.14 0.01 -0.61 0.00 0.09 0.00 0.00 57.88 57.23 2d3r h LEU 156 Cb 1.07 -0.20 -0.12 0.00 0.09 0.00 0.00 40.66 41.50 2d3r h LEU 156 CO 1.05 0.63 -0.68 0.42 0.09 0.00 0.00 178.44 179.95 2d3r s THR 157 N -6.06 3.50 0.53 0.22 -4.23 -1.26 -2.00 115.64 106.34 2d3r s THR 157 Ca -0.13 -1.57 -0.22 0.00 -1.18 0.00 0.00 61.69 58.60 2d3r s THR 157 Cb 0.19 -2.76 -0.05 0.00 1.34 0.00 0.00 72.50 71.22 2d3r s THR 157 CO 0.80 -0.14 1.27 -0.13 -0.54 0.00 0.00 174.62 175.89 2d3r s ARG 158 N -2.99 3.29 -0.17 3.99 1.81 -1.26 -4.70 118.95 118.92 2d3r s ARG 158 Ca 0.27 2.03 -0.05 0.00 -1.72 0.00 0.00 55.73 56.26 2d3r s ARG 158 Cb -0.09 -2.24 0.09 0.00 -0.45 0.00 0.00 34.95 32.26 2d3r s ARG 158 CO 0.17 -1.01 0.29 0.08 -0.68 0.00 0.00 175.30 174.16 2d3r s VAL 159 N -1.42 -0.46 -0.35 3.52 1.01 -1.26 -1.64 120.40 119.79 2d3r s VAL 159 Ca 0.70 0.13 -0.05 0.00 0.00 0.00 0.00 61.98 62.76 2d3r s VAL 159 Cb -0.35 -0.58 0.06 0.00 0.00 0.00 0.00 36.38 35.51 2d3r s VAL 159 CO 0.41 0.00 0.12 -0.44 0.00 0.00 0.00 175.10 175.20 2d3r s SER 160 N 2.45 5.25 -1.06 3.32 0.01 0.51 -4.70 113.70 119.48 2d3r s SER 160 Ca 0.04 -1.37 -0.06 0.00 1.31 0.00 0.00 55.95 55.87 2d3r s SER 160 Cb -0.13 -1.84 0.01 0.00 0.21 0.00 0.00 66.02 64.26 2d3r s SER 160 CO -0.11 -0.38 0.92 0.59 0.41 0.00 0.00 173.24 174.67 2d3r n ASN 161 N 4.75 -4.91 0.00 2.44 5.03 -1.26 -1.73 115.26 119.57 2d3r n ASN 161 Ca -0.11 -0.44 0.00 0.00 0.87 0.00 0.00 54.58 54.90 2d3r n ASN 161 Cb 0.43 -4.13 0.00 0.00 -1.02 0.00 0.00 39.78 35.07 2d3r n ASN 161 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2d3r n GLY 162 N -1.61 3.03 3.60 7.41 0.00 -1.26 -5.03 105.19 111.34 2d3r n GLY 162 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 2d3r n GLY 162 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2d3r s SER 163 N -1.21 5.70 0.63 1.61 0.15 -0.70 -5.06 113.70 114.83 2d3r s SER 163 Ca 0.00 0.03 -0.17 0.00 0.70 0.00 0.00 55.95 56.51 2d3r s SER 163 Cb 0.00 -2.01 -0.01 0.00 -1.71 0.00 0.00 66.02 62.29 2d3r s SER 163 CO 0.00 0.09 1.19 -2.16 1.20 0.00 0.00 173.24 173.56 2d3r s PRO 164 N 0.88 2.76 0.08 5.44 0.04 -1.26 0.19 135.00 143.13 2d3r s PRO 164 Ca 0.05 1.74 0.06 0.00 0.04 0.00 0.00 61.00 62.89 2d3r s PRO 164 Cb -0.13 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 2d3r s PRO 164 CO 0.03 -1.35 -0.09 -0.65 0.04 0.00 0.00 177.00 174.98 2d3r s GLN 165 N -3.58 2.24 0.70 4.56 -1.52 -0.65 -4.79 119.66 116.62 2d3r s GLN 165 Ca 0.75 -0.95 -0.11 0.00 -1.95 0.00 0.00 55.36 53.10 2d3r s GLN 165 Cb -0.28 -2.36 0.01 0.00 -0.22 0.00 0.00 33.01 30.16 2d3r s GLN 165 CO 0.37 0.53 1.08 -1.12 -0.25 0.00 0.00 175.29 175.90 2d3r s SER 166 N -2.04 5.45 -1.36 5.90 0.01 -1.26 -4.32 113.70 116.08 2d3r s SER 166 Ca 0.21 1.29 -0.04 0.00 1.31 0.00 0.00 55.95 58.72 2d3r s SER 166 Cb -0.11 -2.14 -0.00 0.00 0.21 0.00 0.00 66.02 63.98 2d3r s SER 166 CO 0.13 -1.36 0.50 0.59 0.41 0.00 0.00 173.24 173.51 2d3r n ASN 167 N -3.04 -1.13 -4.21 2.44 3.02 -0.11 -4.95 115.26 107.28 2d3r n ASN 167 Ca 0.07 -1.00 -0.30 0.00 -0.03 0.00 0.00 54.58 53.32 2d3r n ASN 167 Cb 0.56 -3.16 -0.17 0.00 -0.61 0.00 0.00 39.78 36.41 2d3r n ASN 167 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2d3r s SER 168 N -4.23 2.82 0.02 6.41 0.15 -1.16 -4.95 113.70 112.76 2d3r s SER 168 Ca 0.08 -0.49 0.05 0.00 0.70 0.00 0.00 55.95 56.29 2d3r s SER 168 Cb -0.03 -1.03 -0.02 0.00 -1.71 0.00 0.00 66.02 63.23 2d3r s SER 168 CO 0.88 0.18 -0.16 0.68 1.20 0.00 0.00 173.24 176.01 2d3r s VAL 169 N 0.15 1.30 -0.02 4.45 -7.23 -1.26 -0.13 120.40 117.65 2d3r s VAL 169 Ca -0.11 -0.95 -0.04 0.00 -1.81 0.00 0.00 61.98 59.07 2d3r s VAL 169 Cb -0.15 -1.13 0.01 0.00 0.56 0.00 0.00 36.38 35.66 2d3r s VAL 169 CO 0.06 0.16 0.10 -0.83 -0.31 0.00 0.00 175.10 174.28 2d3r s GLY 170 N -0.91 -0.02 0.13 2.32 0.00 -0.58 0.14 107.32 108.40 2d3r s GLY 170 Ca 0.05 0.12 0.04 0.00 0.00 0.00 0.00 44.72 44.92 2d3r s GLY 170 CO 0.01 0.06 -0.09 0.50 0.00 0.00 0.00 173.10 173.57 2d3r s ARG 171 N -0.38 0.98 -0.20 2.90 0.52 -0.88 -0.85 118.95 121.04 2d3r s ARG 171 Ca -0.05 -1.39 -0.06 0.00 -0.52 0.00 0.00 55.73 53.72 2d3r s ARG 171 Cb -0.03 -0.53 0.10 0.00 0.52 0.00 0.00 34.95 35.01 2d3r s ARG 171 CO 0.00 0.06 0.39 0.00 0.02 0.00 0.00 175.30 175.77 2d3r s ALA 172 N -3.26 -1.08 -0.02 2.13 0.00 0.06 -1.24 121.76 118.35 2d3r s ALA 172 Ca 0.14 1.32 0.07 0.00 0.00 0.00 0.00 51.96 53.49 2d3r s ALA 172 Cb 0.02 -1.37 -0.02 0.00 0.00 0.00 0.00 23.12 21.75 2d3r s ALA 172 CO -0.01 -0.85 -0.22 -0.51 0.00 0.00 0.00 175.76 174.18 2d3r s LEU 173 N 2.58 2.32 0.34 0.00 1.43 -0.47 -0.53 118.68 124.34 2d3r s LEU 173 Ca 0.02 -0.39 -0.29 0.00 -1.03 0.00 0.00 54.13 52.45 2d3r s LEU 173 Cb -0.13 -1.42 -0.10 0.00 0.03 0.00 0.00 46.19 44.57 2d3r s LEU 173 CO -0.13 0.32 1.36 -0.47 0.23 0.00 0.00 176.35 177.66 2d3r s TYR 174 N -0.68 2.92 0.17 0.29 5.04 -0.58 0.10 117.35 124.60 2d3r s TYR 174 Ca 0.11 1.34 -0.14 0.00 -2.44 0.00 0.00 57.07 55.94 2d3r s TYR 174 Cb -0.10 -3.78 0.05 0.00 0.35 0.00 0.00 41.96 38.48 2d3r s TYR 174 CO 0.00 -2.19 1.79 -0.92 -1.34 0.00 0.00 175.55 172.90 2d3r h TYR 175 N 3.31 0.69 -3.52 4.97 3.20 -0.90 -3.43 116.97 121.29 2d3r h TYR 175 Ca -0.49 -0.01 -0.52 0.00 3.14 0.00 0.00 58.73 60.85 2d3r h TYR 175 Cb 1.23 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 39.25 2d3r h TYR 175 CO 0.55 0.48 0.35 0.00 -1.64 0.00 0.00 178.16 177.90 2d3r s ALA 176 N -5.95 3.23 0.45 1.82 0.00 -1.26 -4.99 121.76 115.06 2d3r s ALA 176 Ca -0.13 0.54 -0.24 0.00 0.00 0.00 0.00 51.96 52.13 2d3r s ALA 176 Cb 0.12 -3.27 -0.07 0.00 0.00 0.00 0.00 23.12 19.89 2d3r s ALA 176 CO 0.75 -0.07 1.25 -2.14 0.00 0.00 0.00 175.76 175.56 2d3r s PRO 177 N 0.24 3.74 -0.13 0.00 0.02 -1.26 -4.78 135.00 132.82 2d3r s PRO 177 Ca 0.47 2.01 -0.04 0.00 0.02 0.00 0.00 61.00 63.46 2d3r s PRO 177 Cb -0.23 -2.53 -0.04 0.00 0.02 0.00 0.00 34.50 31.73 2d3r s PRO 177 CO 0.29 -0.63 0.03 0.08 -0.33 0.00 0.00 177.00 176.43 2d3r s VAL 178 N -1.38 4.49 -0.70 3.83 1.01 0.14 -4.93 120.40 122.87 2d3r s VAL 178 Ca 0.62 -0.16 -0.25 0.00 0.00 0.00 0.00 61.98 62.19 2d3r s VAL 178 Cb -0.35 -2.96 0.04 0.00 0.00 0.00 0.00 36.38 33.12 2d3r s VAL 178 CO 0.43 0.54 1.15 -2.28 0.00 0.00 0.00 175.10 174.94 2d3r s HIS 179 N -0.24 2.45 0.04 5.22 2.46 -1.26 -1.61 115.29 122.35 2d3r s HIS 179 Ca 0.07 -0.21 0.01 0.00 0.47 0.00 0.00 55.06 55.40 2d3r s HIS 179 Cb -0.12 -4.48 -0.26 0.00 -0.13 0.00 0.00 32.58 27.59 2d3r s HIS 179 CO 0.02 -1.88 0.99 0.28 -2.47 0.00 0.00 174.74 171.68 2d3r h VAL 180 N 6.01 1.31 -2.73 0.89 2.07 -1.60 -3.46 116.25 118.75 2d3r h VAL 180 Ca -0.28 -2.99 -0.10 0.00 0.82 0.00 0.00 66.70 64.16 2d3r h VAL 180 Cb 1.06 2.77 -0.19 0.00 -1.52 0.00 0.00 31.29 33.41 2d3r h VAL 180 CO 1.23 0.83 -0.13 -1.66 0.02 0.00 0.00 177.57 177.87 2d3r s TRP 181 N -2.64 -0.33 0.17 1.57 1.48 -1.22 -4.72 118.94 113.24 2d3r s TRP 181 Ca -0.05 0.51 0.09 0.00 -1.06 0.00 0.00 56.10 55.60 2d3r s TRP 181 Cb 0.08 0.20 -0.04 0.00 -1.16 0.00 0.00 33.47 32.54 2d3r s TRP 181 CO 0.85 -0.47 -0.20 0.34 -4.06 0.00 0.00 176.95 173.40 2d3r s ASP 182 N -1.34 2.91 0.33 -2.66 -1.08 -1.26 -4.73 116.67 108.83 2d3r s ASP 182 Ca -0.12 -0.85 0.01 0.00 -0.52 0.00 0.00 52.55 51.07 2d3r s ASP 182 Cb -0.03 -0.19 0.55 0.00 -1.46 0.00 0.00 42.92 41.79 2d3r s ASP 182 CO 0.05 0.02 1.94 0.07 0.52 0.00 0.00 175.17 177.78 2d3r h LYS 183 N 3.32 0.82 -0.00 4.34 5.09 -2.02 -2.66 116.57 125.45 2d3r h LYS 183 Ca -0.44 -0.09 0.00 0.00 0.09 0.00 0.00 60.65 60.21 2d3r h LYS 183 Cb 1.20 -0.16 0.00 0.00 0.10 0.00 0.00 32.23 33.37 2d3r h LYS 183 CO 0.49 0.62 -0.01 -1.13 -2.09 0.00 0.00 179.45 177.33 2d3r n SER 184 N -4.38 0.33 -4.82 7.07 3.41 -1.26 -4.88 113.62 109.09 2d3r n SER 184 Ca 0.05 -1.03 -0.32 0.00 -0.26 0.00 0.00 58.87 57.32 2d3r n SER 184 Cb 0.11 -0.02 0.03 0.00 -0.26 0.00 0.00 64.21 64.07 2d3r n SER 184 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2d3r s ALA 185 N -2.06 2.78 -0.12 7.33 0.00 -1.01 -4.96 121.76 123.73 2d3r s ALA 185 Ca 0.44 0.18 -0.01 0.00 0.00 0.00 0.00 51.96 52.56 2d3r s ALA 185 Cb 0.22 -3.18 -0.07 0.00 0.00 0.00 0.00 23.12 20.09 2d3r s ALA 185 CO 0.37 -0.95 -0.12 0.28 0.00 0.00 0.00 175.76 175.35 2d3r n VAL 186 N -2.59 0.66 -4.29 0.00 0.31 -0.04 -4.96 118.33 107.42 2d3r n VAL 186 Ca 0.08 -0.23 -0.18 0.00 -0.01 0.00 0.00 64.34 63.99 2d3r n VAL 186 Cb 0.53 -1.12 -0.13 0.00 -0.91 0.00 0.00 33.84 32.21 2d3r n VAL 186 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2d3r s VAL 187 N -2.23 0.92 -0.06 2.52 1.01 -1.20 -4.92 120.40 116.45 2d3r s VAL 187 Ca -0.16 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 60.94 2d3r s VAL 187 Cb 0.05 -0.85 0.02 0.00 0.00 0.00 0.00 36.38 35.60 2d3r s VAL 187 CO 0.25 -0.03 -0.05 0.00 0.00 0.00 0.00 175.10 175.28 2d3r s ALA 188 N -0.81 0.80 0.03 5.51 0.00 -1.26 -0.04 121.76 125.99 2d3r s ALA 188 Ca -0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 51.96 51.77 2d3r s ALA 188 Cb -0.07 -0.55 -0.02 0.00 0.00 0.00 0.00 23.12 22.48 2d3r s ALA 188 CO 0.01 -0.13 0.05 -1.54 0.00 0.00 0.00 175.76 174.15 2d3r s SER 189 N 1.17 0.23 0.04 0.00 1.04 -0.35 -0.53 113.70 115.29 2d3r s SER 189 Ca -0.07 -0.59 -0.06 0.00 0.48 0.00 0.00 55.95 55.72 2d3r s SER 189 Cb -0.14 0.20 -0.01 0.00 0.10 0.00 0.00 66.02 66.17 2d3r s SER 189 CO -0.01 -0.47 0.11 0.72 0.98 0.00 0.00 173.24 174.56 2d3r s PHE 190 N -2.53 0.17 0.01 5.02 -0.12 -0.68 -0.15 117.98 119.71 2d3r s PHE 190 Ca -0.06 -0.45 -0.01 0.00 -0.05 0.00 0.00 56.93 56.37 2d3r s PHE 190 Cb -0.02 -0.12 -0.01 0.00 -0.63 0.00 0.00 43.02 42.24 2d3r s PHE 190 CO -0.04 -0.37 -0.01 -0.51 -0.05 0.00 0.00 175.22 174.24 2d3r s ASP 191 N -2.08 0.17 -0.00 1.98 1.01 0.02 -2.00 116.67 115.78 2d3r s ASP 191 Ca -0.06 -0.38 -0.02 0.00 0.71 0.00 0.00 52.55 52.81 2d3r s ASP 191 Cb -0.02 0.10 -0.01 0.00 1.01 0.00 0.00 42.92 44.01 2d3r s ASP 191 CO -0.04 -0.25 0.04 0.00 0.21 0.00 0.00 175.17 175.13 2d3r s ALA 192 N -1.18 -0.08 -0.00 5.23 0.00 -0.50 -1.49 121.76 123.74 2d3r s ALA 192 Ca -0.13 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 51.65 2d3r s ALA 192 Cb -0.08 0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.09 2d3r s ALA 192 CO -0.01 -0.12 -0.01 0.99 0.00 0.00 0.00 175.76 176.62 2d3r s THR 193 N -0.84 0.11 0.03 0.00 2.01 -0.56 -0.80 115.64 115.60 2d3r s THR 193 Ca -0.09 -0.04 -0.10 0.00 0.31 0.00 0.00 61.69 61.76 2d3r s THR 193 Cb -0.06 -0.12 0.01 0.00 0.01 0.00 0.00 72.50 72.34 2d3r s THR 193 CO -0.00 0.04 0.22 0.72 -0.69 0.00 0.00 174.62 174.91 2d3r s PHE 194 N 0.09 0.01 -0.08 4.92 -0.71 -1.14 -0.20 117.98 120.87 2d3r s PHE 194 Ca -0.01 -0.17 0.03 0.00 -1.04 0.00 0.00 56.93 55.74 2d3r s PHE 194 Cb -0.02 0.00 -0.02 0.00 -1.21 0.00 0.00 43.02 41.77 2d3r s PHE 194 CO -0.00 -0.43 -0.17 0.95 -1.34 0.00 0.00 175.22 174.23 2d3r s THR 195 N -2.36 2.72 0.32 -4.49 -4.23 -0.87 -1.88 115.64 104.86 2d3r s THR 195 Ca -0.07 -0.81 0.04 0.00 -1.18 0.00 0.00 61.69 59.67 2d3r s THR 195 Cb -0.02 -2.08 -0.06 0.00 1.34 0.00 0.00 72.50 71.68 2d3r s THR 195 CO -0.03 0.56 0.04 0.72 -0.54 0.00 0.00 174.62 175.37 2d3r s PHE 196 N -0.12 1.96 -0.28 3.99 -0.12 0.07 -1.23 117.98 122.24 2d3r s PHE 196 Ca -0.03 -0.91 -0.01 0.00 -0.05 0.00 0.00 56.93 55.93 2d3r s PHE 196 Cb -0.14 -1.26 0.13 0.00 -0.63 0.00 0.00 43.02 41.12 2d3r s PHE 196 CO 0.04 0.05 0.27 -1.17 -0.05 0.00 0.00 175.22 174.37 2d3r s LEU 197 N -3.48 -0.16 -0.31 -1.99 2.96 -0.43 -1.09 118.68 114.18 2d3r s LEU 197 Ca 0.35 -0.76 -0.15 0.00 -0.22 0.00 0.00 54.13 53.35 2d3r s LEU 197 Cb 0.08 0.42 -0.02 0.00 0.50 0.00 0.00 46.19 47.17 2d3r s LEU 197 CO 0.15 -0.39 0.39 -0.63 -1.32 0.00 0.00 176.35 174.55 2d3r s ILE 198 N 2.34 5.15 0.18 6.68 1.09 -1.26 -3.09 121.20 132.28 2d3r s ILE 198 Ca 0.09 0.36 0.07 0.00 -1.10 0.00 0.00 60.65 60.07 2d3r s ILE 198 Cb -0.14 -3.78 -0.05 0.00 -1.06 0.00 0.00 42.46 37.43 2d3r s ILE 198 CO -0.32 0.02 -0.13 -0.75 -0.10 0.00 0.00 174.94 173.66 2d3r s LYS 199 N 2.11 1.23 -0.30 2.79 2.20 -1.25 -1.01 119.74 125.52 2d3r s LYS 199 Ca 0.14 -1.52 -0.28 0.00 -0.36 0.00 0.00 55.97 53.95 2d3r s LYS 199 Cb -0.16 -0.98 0.20 0.00 -1.51 0.00 0.00 37.83 35.38 2d3r s LYS 199 CO 0.11 0.16 1.40 0.45 -0.36 0.00 0.00 175.35 177.11 2d3r s SER 200 N -3.19 -0.01 0.36 1.43 0.15 -1.26 -1.68 113.70 109.50 2d3r s SER 200 Ca 0.20 0.02 0.19 0.00 0.70 0.00 0.00 55.95 57.06 2d3r s SER 200 Cb -0.00 0.01 0.39 0.00 -1.71 0.00 0.00 66.02 64.71 2d3r s SER 200 CO 0.05 -0.01 1.60 0.74 1.20 0.00 0.00 173.24 176.81 2d3r h THR 201 N 2.17 0.59 -3.44 6.45 2.02 -1.97 -3.44 112.91 115.30 2d3r h THR 201 Ca -0.10 -1.64 -0.54 0.00 0.77 0.00 0.00 66.41 64.90 2d3r h THR 201 Cb 1.19 2.14 -0.03 0.00 -1.74 0.00 0.00 68.15 69.70 2d3r h THR 201 CO 0.21 0.31 0.12 -1.81 0.37 0.00 0.00 175.52 174.72 2d3r s ASP 202 N -6.32 7.29 0.34 4.18 1.01 -1.26 -4.98 116.67 116.92 2d3r s ASP 202 Ca 0.04 1.52 0.09 0.00 0.71 0.00 0.00 52.55 54.91 2d3r s ASP 202 Cb 0.08 -2.46 0.60 0.00 1.01 0.00 0.00 42.92 42.15 2d3r s ASP 202 CO 0.70 0.21 1.78 0.77 0.21 0.00 0.00 175.17 178.84 2d3r h SER 203 N 4.48 0.16 -3.56 0.27 4.64 -1.99 -3.40 113.55 114.14 2d3r h SER 203 Ca -0.48 -0.06 -0.62 0.00 -0.47 0.00 0.00 61.79 60.17 2d3r h SER 203 Cb 1.21 -0.04 -0.12 0.00 -0.31 0.00 0.00 62.40 63.14 2d3r h SER 203 CO 0.66 0.50 0.38 -0.62 -0.87 0.00 0.00 176.83 176.87 2d3r s ASP 204 N -6.90 6.51 0.18 4.97 -1.08 -1.26 -5.04 116.67 114.05 2d3r s ASP 204 Ca -0.04 0.22 0.09 0.00 -0.52 0.00 0.00 52.55 52.30 2d3r s ASP 204 Cb 0.14 -2.39 -0.04 0.00 -1.46 0.00 0.00 42.92 39.16 2d3r s ASP 204 CO 0.75 -0.79 -0.20 0.27 0.52 0.00 0.00 175.17 175.72 2d3r s ILE 205 N 3.17 2.00 0.03 4.11 -0.00 -1.26 -4.62 121.20 124.63 2d3r s ILE 205 Ca 0.31 -1.98 -0.17 0.00 -0.00 0.00 0.00 60.65 58.82 2d3r s ILE 205 Cb -0.13 -1.95 0.03 0.00 -0.00 0.00 0.00 42.46 40.42 2d3r s ILE 205 CO 0.19 -0.27 0.37 0.00 -0.00 0.00 0.00 174.94 175.23 2d3r s ALA 206 N -1.98 -0.90 0.00 2.27 0.00 -1.26 -4.16 121.76 115.74 2d3r s ALA 206 Ca 0.18 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.40 2d3r s ALA 206 Cb -0.06 0.28 0.00 0.00 0.00 0.00 0.00 23.12 23.34 2d3r s ALA 206 CO 0.08 -0.41 0.00 -0.25 0.00 0.00 0.00 175.76 175.18 2d3r n ASP 207 N 0.67 3.92 0.00 0.00 8.00 -0.37 -3.03 116.55 125.74 2d3r n ASP 207 Ca -0.19 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.31 2d3r n ASP 207 Cb 0.59 0.61 0.00 0.00 -0.02 0.00 0.00 41.12 42.30 2d3r n ASP 207 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2d3r n GLY 208 N 2.18 0.20 3.04 0.44 0.00 -1.21 -1.23 105.19 108.61 2d3r n GLY 208 Ca 0.00 -1.77 -0.14 0.00 0.00 0.00 0.00 46.02 44.12 2d3r n GLY 208 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2d3r s ILE 209 N -1.74 0.51 0.07 -0.61 1.01 -1.11 -2.98 121.20 116.34 2d3r s ILE 209 Ca 0.00 -0.88 0.04 0.00 0.00 0.00 0.00 60.65 59.80 2d3r s ILE 209 Cb 0.00 -0.55 -0.03 0.00 0.01 0.00 0.00 42.46 41.89 2d3r s ILE 209 CO 0.00 -0.27 -0.11 0.00 0.00 0.00 0.00 174.94 174.56 2d3r s ALA 210 N -1.09 0.96 -0.07 9.38 0.00 0.15 0.31 121.76 131.40 2d3r s ALA 210 Ca -0.07 -0.97 0.01 0.00 0.00 0.00 0.00 51.96 50.93 2d3r s ALA 210 Cb -0.08 -0.02 -0.03 0.00 0.00 0.00 0.00 23.12 22.99 2d3r s ALA 210 CO 0.00 0.05 -0.09 0.12 0.00 0.00 0.00 175.76 175.84 2d3r s PHE 211 N -1.61 2.86 0.05 0.00 5.36 -0.64 -1.16 117.98 122.84 2d3r s PHE 211 Ca -0.03 -0.08 -0.05 0.00 -0.96 0.00 0.00 56.93 55.81 2d3r s PHE 211 Cb -0.08 -1.70 -0.01 0.00 -0.34 0.00 0.00 43.02 40.88 2d3r s PHE 211 CO 0.01 0.25 0.09 -0.59 -1.46 0.00 0.00 175.22 173.52 2d3r s PHE 212 N -0.68 0.25 0.06 10.12 -0.71 -0.43 -0.05 117.98 126.54 2d3r s PHE 212 Ca 0.10 -0.63 0.10 0.00 -1.04 0.00 0.00 56.93 55.46 2d3r s PHE 212 Cb -0.11 -0.17 -0.03 0.00 -1.21 0.00 0.00 43.02 41.50 2d3r s PHE 212 CO 0.01 -0.41 -0.26 0.42 -1.34 0.00 0.00 175.22 173.65 2d3r s ILE 213 N -3.13 2.20 0.18 -4.49 1.01 -0.28 -0.65 121.20 116.03 2d3r s ILE 213 Ca -0.01 -1.47 -0.21 0.00 0.00 0.00 0.00 60.65 58.97 2d3r s ILE 213 Cb 0.02 -1.89 0.05 0.00 0.01 0.00 0.00 42.46 40.66 2d3r s ILE 213 CO -0.07 0.30 0.57 0.00 0.00 0.00 0.00 174.94 175.74 2d3r s ALA 214 N -0.87 -1.34 0.55 9.38 0.00 -0.85 -1.73 121.76 126.90 2d3r s ALA 214 Ca 0.12 0.19 -0.19 0.00 0.00 0.00 0.00 51.96 52.09 2d3r s ALA 214 Cb -0.10 0.85 -0.08 0.00 0.00 0.00 0.00 23.12 23.79 2d3r s ALA 214 CO 0.03 -0.79 0.69 0.27 0.00 0.00 0.00 175.76 175.96 2d3r n ASN 215 N -0.36 -0.34 -0.31 0.00 6.94 -1.15 -1.18 115.26 118.86 2d3r n ASN 215 Ca -0.14 0.80 0.01 0.00 -0.02 0.00 0.00 54.58 55.23 2d3r n ASN 215 Cb 0.64 -1.24 0.19 0.00 -2.36 0.00 0.00 39.78 37.01 2d3r n ASN 215 CO 0.00 0.00 0.00 0.71 -1.03 0.00 0.00 177.26 176.94 2d3r h THR 216 N 0.49 1.17 -0.14 5.53 1.35 -1.85 -1.78 112.91 117.69 2d3r h THR 216 Ca -0.46 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.01 2d3r h THR 216 Cb 1.38 -0.09 0.00 0.00 -1.73 0.00 0.00 68.15 67.72 2d3r h THR 216 CO 0.49 0.21 0.00 -0.90 -0.25 0.00 0.00 175.52 175.08 2d3r n ASP 217 N -4.43 1.02 -4.64 5.36 5.75 -1.26 -4.76 116.55 113.59 2d3r n ASP 217 Ca 0.12 -1.74 -0.58 0.00 -0.01 0.00 0.00 54.79 52.58 2d3r n ASP 217 Cb 0.08 -0.09 -0.07 0.00 -1.03 0.00 0.00 41.12 40.01 2d3r n ASP 217 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 2d3r n SER 218 N -0.05 1.47 -4.44 -1.12 2.88 -0.67 -4.98 113.62 106.72 2d3r n SER 218 Ca 0.12 1.13 -0.22 0.00 -1.33 0.00 0.00 58.87 58.57 2d3r n SER 218 Cb 0.20 -1.07 -0.10 0.00 -0.75 0.00 0.00 64.21 62.49 2d3r n SER 218 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2d3r s SER 219 N 1.77 2.82 -0.28 -3.46 1.04 -1.26 -5.08 113.70 109.25 2d3r s SER 219 Ca 0.94 -1.20 -0.32 0.00 0.48 0.00 0.00 55.95 55.85 2d3r s SER 219 Cb -1.15 -0.18 -0.09 0.00 0.10 0.00 0.00 66.02 64.71 2d3r s SER 219 CO 0.61 -0.34 2.19 -0.38 0.98 0.00 0.00 173.24 176.30 2d3r n ILE 220 N -0.60 0.27 -1.64 -1.02 5.41 -1.26 -4.94 119.36 115.58 2d3r n ILE 220 Ca -0.05 -0.34 -0.34 0.00 1.00 0.00 0.00 62.75 63.02 2d3r n ILE 220 Cb 0.63 -2.04 0.07 0.00 -0.71 0.00 0.00 39.64 37.59 2d3r n ILE 220 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 2d3r s PRO 221 N 6.18 2.49 0.16 0.38 0.02 -1.26 -4.93 135.00 138.05 2d3r s PRO 221 Ca 1.05 1.64 -0.31 0.00 0.02 0.00 0.00 61.00 63.40 2d3r s PRO 221 Cb -0.63 -1.89 -0.11 0.00 0.02 0.00 0.00 34.50 31.89 2d3r s PRO 221 CO 0.43 -1.54 1.80 -1.58 -0.33 0.00 0.00 177.00 175.78 2d3r s HIS 222 N -2.04 2.45 -1.10 6.54 2.46 -1.26 -2.84 115.29 119.50 2d3r s HIS 222 Ca 0.72 0.11 -0.01 0.00 0.47 0.00 0.00 55.06 56.35 2d3r s HIS 222 Cb -0.26 -4.18 0.00 0.00 -0.13 0.00 0.00 32.58 28.01 2d3r s HIS 222 CO 0.42 -4.71 0.18 0.41 -2.47 0.00 0.00 174.74 168.57 2d3r n GLY 223 N 4.14 -0.15 2.34 1.59 0.00 -1.26 -4.67 105.19 107.18 2d3r n GLY 223 Ca 0.17 -0.26 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 2d3r n GLY 223 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2d3r n SER 224 N -0.80 7.20 -0.98 1.61 3.41 -1.13 -4.84 113.62 118.09 2d3r n SER 224 Ca -0.12 -3.79 0.08 0.00 -0.26 0.00 0.00 58.87 54.78 2d3r n SER 224 Cb 0.60 -0.88 0.27 0.00 -0.26 0.00 0.00 64.21 63.94 2d3r n SER 224 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d3r n GLY 225 N -0.84 4.02 0.00 5.00 0.00 -1.26 -0.56 105.19 111.54 2d3r n GLY 225 Ca 0.59 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 45.56 2d3r n GLY 225 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d3r n GLY 226 N -0.47 2.44 0.13 -0.02 0.00 -1.26 -4.37 105.19 101.64 2d3r n GLY 226 Ca 0.23 -0.09 0.05 0.00 0.00 0.00 0.00 46.02 46.21 2d3r n GLY 226 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2d3r n ARG 227 N 0.00 0.07 -0.07 1.61 1.85 -1.26 -0.07 116.66 118.78 2d3r n ARG 227 Ca 0.00 0.52 0.12 0.00 -1.00 0.00 0.00 57.85 57.49 2d3r n ARG 227 Cb 0.00 -2.03 0.22 0.00 -1.05 0.00 0.00 32.46 29.60 2d3r n ARG 227 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2d3r n LEU 228 N -1.91 2.83 -3.54 2.89 4.77 -1.26 -4.97 117.00 115.82 2d3r n LEU 228 Ca -0.01 -1.07 -0.25 0.00 -0.03 0.00 0.00 56.01 54.65 2d3r n LEU 228 Cb 0.31 -0.10 -0.01 0.00 -2.33 0.00 0.00 43.42 41.29 2d3r n LEU 228 CO 0.05 0.54 -0.04 0.18 -1.33 0.00 0.00 177.39 176.78 2d3r n LEU 229 N 1.15 -1.45 -0.82 2.23 4.77 0.89 -0.49 117.00 123.29 2d3r n LEU 229 Ca 0.17 -0.50 -0.11 0.00 -0.03 0.00 0.00 56.01 55.54 2d3r n LEU 229 Cb 0.54 -2.02 -0.05 0.00 -2.33 0.00 0.00 43.42 39.57 2d3r n LEU 229 CO 0.15 0.17 -0.10 0.61 -1.33 0.00 0.00 177.39 176.89 2d3r n GLY 230 N -1.17 1.11 0.09 -0.72 0.00 0.27 -4.38 105.19 100.39 2d3r n GLY 230 Ca 0.01 -0.16 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 2d3r n GLY 230 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2d3r n LEU 231 N -1.21 2.85 -4.29 0.99 4.77 0.36 -4.49 117.00 115.98 2d3r n LEU 231 Ca -0.11 -0.10 -0.26 0.00 -0.03 0.00 0.00 56.01 55.52 2d3r n LEU 231 Cb 0.49 -0.60 -0.14 0.00 -2.33 0.00 0.00 43.42 40.84 2d3r n LEU 231 CO 0.16 0.79 -0.53 -0.36 -1.33 0.00 0.00 177.39 176.12 2d3r s PHE 232 N -2.37 1.94 0.11 -1.77 0.08 -1.22 -4.76 117.98 109.99 2d3r s PHE 232 Ca -0.24 -0.39 -0.15 0.00 0.12 0.00 0.00 56.93 56.27 2d3r s PHE 232 Cb 0.06 -1.12 -0.04 0.00 -0.57 0.00 0.00 43.02 41.35 2d3r s PHE 232 CO 0.43 0.16 1.52 -1.00 -0.10 0.00 0.00 175.22 176.23 2d3r h PRO 233 N 4.53 0.68 0.00 0.24 0.13 -1.88 -3.38 132.00 132.32 2d3r h PRO 233 Ca -0.45 -0.26 0.00 0.00 -0.87 0.00 0.00 66.00 64.42 2d3r h PRO 233 Cb 1.16 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2d3r h PRO 233 CO 0.42 0.84 0.00 -0.40 -0.23 0.00 0.00 178.00 178.63 2d3r n ASP 234 N -4.41 0.74 -0.10 1.44 5.68 -1.26 -4.62 116.55 114.02 2d3r n ASP 234 Ca -0.02 -0.08 0.07 0.00 -0.50 0.00 0.00 54.79 54.26 2d3r n ASP 234 Cb 0.34 0.00 0.10 0.00 -1.14 0.00 0.00 41.12 40.42 2d3r n ASP 234 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2d3r n ALA 235 N -3.00 2.22 0.93 2.12 0.00 -1.26 -4.78 120.51 116.74 2d3r n ALA 235 Ca 0.00 -2.12 0.07 0.00 0.00 0.00 0.00 53.44 51.40 2d3r n ALA 235 Cb 0.00 -0.29 0.44 0.00 0.00 0.00 0.00 19.45 19.61 2d3r n ALA 235 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59