#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rov n HIS 10 N 0.00 0.00 -4.44 1.61 -0.00 -1.21 -4.81 115.22 106.37 1rov n HIS 10 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.38 1rov n HIS 10 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 29.99 29.85 1rov n HIS 10 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1rov s LYS 11 N -2.17 3.35 -0.11 1.57 1.02 -1.26 -0.72 119.74 121.43 1rov s LYS 11 Ca 0.00 -0.68 -0.27 0.00 0.02 0.00 0.00 55.97 55.04 1rov s LYS 11 Cb 0.00 -2.75 -0.02 0.00 -0.52 0.00 0.00 37.83 34.54 1rov s LYS 11 CO 0.00 0.05 0.88 0.42 -0.92 0.00 0.00 175.35 175.78 1rov s ILE 12 N 0.79 4.88 -0.24 2.17 -1.09 0.11 -4.83 121.20 122.98 1rov s ILE 12 Ca -0.04 1.79 -0.25 0.00 -2.23 0.00 0.00 60.65 59.91 1rov s ILE 12 Cb -0.15 -4.20 -0.00 0.00 -1.58 0.00 0.00 42.46 36.53 1rov s ILE 12 CO 0.01 0.08 0.86 -0.54 -1.23 0.00 0.00 174.94 174.12 1rov s LYS 13 N 1.70 4.19 0.04 2.79 1.02 -0.97 0.37 119.74 128.88 1rov s LYS 13 Ca 0.43 1.00 0.03 0.00 0.02 0.00 0.00 55.97 57.45 1rov s LYS 13 Cb -0.18 -3.65 -0.04 0.00 -0.52 0.00 0.00 37.83 33.45 1rov s LYS 13 CO 0.17 -0.54 0.01 0.20 -0.92 0.00 0.00 175.35 174.27 1rov s GLY 14 N 1.32 1.91 -0.11 -3.33 0.00 0.26 -1.10 107.32 106.27 1rov s GLY 14 Ca 0.36 -1.01 0.01 0.00 0.00 0.00 0.00 44.72 44.08 1rov s GLY 14 CO 0.07 -0.93 -0.14 -1.59 0.00 0.00 0.00 173.10 170.52 1rov s THR 15 N -1.19 1.41 -0.16 0.90 2.01 -0.49 -2.05 115.64 116.06 1rov s THR 15 Ca 0.23 -0.57 -0.03 0.00 0.31 0.00 0.00 61.69 61.63 1rov s THR 15 Cb -0.12 -1.31 -0.02 0.00 0.01 0.00 0.00 72.50 71.06 1rov s THR 15 CO 0.14 0.43 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.74 1rov s VAL 16 N 1.18 3.51 -0.13 3.82 1.01 -0.58 -0.95 120.40 128.26 1rov s VAL 16 Ca -0.03 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.46 1rov s VAL 16 Cb -0.14 -2.53 -0.02 0.00 0.00 0.00 0.00 36.38 33.69 1rov s VAL 16 CO -0.04 0.48 -0.11 -0.69 0.00 0.00 0.00 175.10 174.74 1rov s VAL 17 N 0.65 3.26 0.24 2.92 1.01 -0.08 -1.35 120.40 127.05 1rov s VAL 17 Ca -0.04 -0.59 -0.06 0.00 0.00 0.00 0.00 61.98 61.29 1rov s VAL 17 Cb -0.15 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.84 1rov s VAL 17 CO 0.02 0.53 0.33 -1.48 0.00 0.00 0.00 175.10 174.50 1rov s LEU 18 N 0.21 0.78 -0.05 3.92 -0.00 -0.45 -1.34 118.68 121.76 1rov s LEU 18 Ca -0.07 -1.21 0.03 0.00 -0.00 0.00 0.00 54.13 52.88 1rov s LEU 18 Cb -0.15 1.14 0.01 0.00 -0.00 0.00 0.00 46.19 47.18 1rov s LEU 18 CO 0.05 -1.04 -0.12 -0.04 -0.00 0.00 0.00 176.35 175.20 1rov s MET 19 N -3.95 1.51 0.32 1.48 -1.94 0.11 -0.48 119.30 116.35 1rov s MET 19 Ca 0.31 -0.42 -0.29 0.00 -1.71 0.00 0.00 55.69 53.57 1rov s MET 19 Cb 0.03 -1.30 -0.10 0.00 2.01 0.00 0.00 34.83 35.47 1rov s MET 19 CO 0.12 0.10 1.32 1.03 -0.01 0.00 0.00 175.02 177.59 1rov s ARG 20 N 0.40 4.34 0.31 2.03 0.52 -1.26 -1.12 118.95 124.17 1rov s ARG 20 Ca -0.09 2.22 0.08 0.00 -0.52 0.00 0.00 55.73 57.42 1rov s ARG 20 Cb -0.13 -3.08 0.86 0.00 0.52 0.00 0.00 34.95 33.12 1rov s ARG 20 CO 0.02 -0.22 1.69 -0.22 0.02 0.00 0.00 175.30 176.59 1rov h LYS 21 N 3.66 0.37 0.00 3.54 3.64 -1.94 -0.88 116.57 124.96 1rov h LYS 21 Ca -0.48 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1rov h LYS 21 Cb 1.22 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1rov h LYS 21 CO 0.67 0.25 0.00 -0.91 -2.27 0.00 0.00 179.45 177.19 1rov h ASN 22 N 0.39 0.00 0.07 4.20 2.35 -1.92 0.21 115.58 120.88 1rov h ASN 22 Ca 0.63 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.38 1rov h ASN 22 Cb 1.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.65 1rov h ASN 22 CO -0.56 0.00 -1.17 0.55 -1.65 0.00 0.00 177.43 174.60 1rov n VAL 23 N -2.57 0.02 0.00 2.81 3.14 -0.33 -4.38 118.33 117.02 1rov n VAL 23 Ca -0.02 -0.12 0.00 0.00 -2.96 0.00 0.00 64.34 61.24 1rov n VAL 23 Cb 0.06 0.69 0.00 0.00 -1.06 0.00 0.00 33.84 33.54 1rov n VAL 23 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1rov n LEU 24 N -1.69 0.00 -4.69 6.55 4.77 -0.71 -4.20 117.00 117.02 1rov n LEU 24 Ca 0.02 -0.25 -0.42 0.00 -0.03 0.00 0.00 56.01 55.33 1rov n LEU 24 Cb 0.39 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.45 1rov n LEU 24 CO 0.43 0.00 0.75 -0.62 -1.33 0.00 0.00 177.39 176.62 1rov s ASP 25 N -0.96 7.26 0.32 -1.43 2.15 -0.02 -2.65 116.67 121.34 1rov s ASP 25 Ca 0.00 1.54 0.08 0.00 0.43 0.00 0.00 52.55 54.60 1rov s ASP 25 Cb 0.00 -2.55 0.81 0.00 -0.30 0.00 0.00 42.92 40.88 1rov s ASP 25 CO 0.00 -0.39 1.77 1.62 -0.17 0.00 0.00 175.17 178.00 1rov h VAL 26 N 5.02 0.66 -0.11 1.11 3.04 -1.89 -0.13 116.25 123.95 1rov h VAL 26 Ca -0.34 -0.24 -0.13 0.00 -1.01 0.00 0.00 66.70 64.99 1rov h VAL 26 Cb 1.16 -0.08 -0.01 0.00 -2.01 0.00 0.00 31.29 30.35 1rov h VAL 26 CO 0.83 0.13 -0.52 0.78 -1.01 0.00 0.00 177.57 177.77 1rov h ASN 27 N 0.69 0.33 0.06 3.17 2.35 -1.98 -3.02 115.58 117.17 1rov h ASN 27 Ca 0.58 -0.17 -0.09 0.00 -0.55 0.00 0.00 56.30 56.08 1rov h ASN 27 Cb 1.01 -0.09 0.01 0.00 0.05 0.00 0.00 38.32 39.30 1rov h ASN 27 CO -0.38 0.79 -0.40 0.28 -1.65 0.00 0.00 177.43 176.08 1rov h SER 28 N 0.23 0.18 0.28 5.81 0.02 -1.78 -3.38 113.55 114.92 1rov h SER 28 Ca 0.01 -0.96 -0.03 0.00 -0.84 0.00 0.00 61.79 59.97 1rov h SER 28 Cb 1.00 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 63.48 1rov h SER 28 CO 0.08 1.18 -0.13 0.58 -1.14 0.00 0.00 176.83 177.41 1rov h VAL 29 N -0.75 0.70 0.00 2.27 2.07 -1.07 -3.35 116.25 116.12 1rov h VAL 29 Ca -0.08 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1rov h VAL 29 Cb 1.27 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.35 1rov h VAL 29 CO 0.05 0.12 0.00 0.41 0.02 0.00 0.00 177.57 178.17 1rov n THR 30 N -3.83 0.00 0.00 2.57 -1.04 -1.14 -0.27 114.28 110.56 1rov n THR 30 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1rov n THR 30 Cb 0.23 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.74 1rov n THR 30 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1rov n SER 31 N -2.49 0.00 -3.45 8.00 3.41 -1.26 -4.60 113.62 113.23 1rov n SER 31 Ca 0.00 0.45 -0.09 0.00 -0.26 0.00 0.00 58.87 58.97 1rov n SER 31 Cb 0.00 -0.06 0.09 0.00 -0.26 0.00 0.00 64.21 63.98 1rov n SER 31 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1rov n VAL 32 N -1.17 0.00 -3.27 -3.33 0.31 0.62 -4.79 118.33 106.71 1rov n VAL 32 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 1rov n VAL 32 Cb 0.00 -0.29 0.02 0.00 -0.91 0.00 0.00 33.84 32.66 1rov n VAL 32 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1rov n THR 46 N -3.72 -8.57 0.00 2.52 -1.04 -1.26 -0.58 114.28 101.63 1rov n THR 46 Ca 0.04 -0.47 0.00 0.00 -2.04 0.00 0.00 64.05 61.58 1rov n THR 46 Cb 0.18 -6.01 0.00 0.00 -1.82 0.00 0.00 70.33 62.67 1rov n THR 46 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1rov n LEU 47 N -2.40 0.00 -3.19 -4.42 4.77 -1.26 -4.80 117.00 105.70 1rov n LEU 47 Ca -0.07 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.88 1rov n LEU 47 Cb 0.56 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1rov n LEU 47 CO 0.57 0.00 -0.48 0.47 -1.33 0.00 0.00 177.39 176.62 1rov n ASP 48 N 2.35 -6.54 0.03 -1.43 9.92 -1.26 -5.00 116.55 114.62 1rov n ASP 48 Ca 0.00 0.40 0.12 0.00 -0.53 0.00 0.00 54.79 54.78 1rov n ASP 48 Cb 0.00 -1.74 0.20 0.00 -0.64 0.00 0.00 41.12 38.94 1rov n ASP 48 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1rov n THR 49 N 1.15 0.19 1.20 -3.53 -2.24 -1.26 -4.21 114.28 105.58 1rov n THR 49 Ca -0.01 -0.15 0.13 0.00 -2.27 0.00 0.00 64.05 61.76 1rov n THR 49 Cb 0.49 0.04 0.51 0.00 -2.10 0.00 0.00 70.33 69.27 1rov n THR 49 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1rov n LEU 50 N -1.84 0.41 -0.08 3.22 4.32 -1.26 -3.20 117.00 118.58 1rov n LEU 50 Ca 0.04 0.10 -0.06 0.00 -0.02 0.00 0.00 56.01 56.07 1rov n LEU 50 Cb 0.39 -0.27 0.13 0.00 -1.62 0.00 0.00 43.42 42.06 1rov n LEU 50 CO 0.36 0.08 0.76 0.74 -1.22 0.00 0.00 177.39 178.12 1rov h THR 51 N 0.34 1.26 0.00 -5.08 2.02 -2.01 -2.33 112.91 107.12 1rov h THR 51 Ca 0.00 -1.22 -0.02 0.00 0.77 0.00 0.00 66.41 65.94 1rov h THR 51 Cb 0.44 1.13 -0.00 0.00 -1.74 0.00 0.00 68.15 67.97 1rov h THR 51 CO 0.00 0.41 -0.11 0.00 0.37 0.00 0.00 175.52 176.19 1rov h ALA 52 N 1.17 1.58 0.00 6.16 0.00 -1.87 -0.46 119.26 125.83 1rov h ALA 52 Ca 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1rov h ALA 52 Cb 0.63 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1rov h ALA 52 CO 0.04 0.14 0.00 1.19 0.00 0.00 0.00 179.25 180.62 1rov n PHE 53 N -4.06 0.00 0.50 0.00 3.01 -0.87 -4.35 117.46 111.69 1rov n PHE 53 Ca -0.02 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.49 1rov n PHE 53 Cb 0.20 -0.04 0.02 0.00 -0.01 0.00 0.00 39.48 39.66 1rov n PHE 53 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1rov n LEU 54 N -1.04 1.66 0.00 4.37 4.32 -0.18 -4.18 117.00 121.95 1rov n LEU 54 Ca 0.12 -0.89 0.00 0.00 -0.02 0.00 0.00 56.01 55.23 1rov n LEU 54 Cb 0.07 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.87 1rov n LEU 54 CO 0.10 0.32 0.00 0.61 -1.22 0.00 0.00 177.39 177.20 1rov n GLY 55 N 0.81 -0.08 1.95 -0.72 0.00 -1.26 -4.76 105.19 101.12 1rov n GLY 55 Ca 0.06 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.88 1rov n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rov n ARG 56 N 0.00 2.19 0.11 1.61 1.74 -1.26 -4.62 116.66 116.43 1rov n ARG 56 Ca 0.00 -3.10 -0.24 0.00 -0.77 0.00 0.00 57.85 53.74 1rov n ARG 56 Cb 0.00 -2.09 -0.15 0.00 -1.02 0.00 0.00 32.46 29.20 1rov n ARG 56 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1rov h SER 57 N 1.09 0.73 -3.40 0.55 0.02 -1.83 -3.45 113.55 107.25 1rov h SER 57 Ca 0.52 -0.90 -0.39 0.00 -0.84 0.00 0.00 61.79 60.18 1rov h SER 57 Cb 2.39 -0.24 -0.36 0.00 0.14 0.00 0.00 62.40 64.33 1rov h SER 57 CO 0.94 1.73 -0.76 -0.69 -1.14 0.00 0.00 176.83 176.91 1rov s VAL 58 N -2.59 0.33 0.10 2.27 1.01 -1.26 0.00 120.40 120.26 1rov s VAL 58 Ca -0.12 0.06 0.08 0.00 0.00 0.00 0.00 61.98 62.00 1rov s VAL 58 Cb 0.05 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.96 1rov s VAL 58 CO 0.90 0.21 -0.18 -0.94 0.00 0.00 0.00 175.10 175.09 1rov s SER 59 N 1.35 3.89 0.00 3.32 1.04 0.36 -2.06 113.70 121.60 1rov s SER 59 Ca -0.05 -0.52 0.06 0.00 0.48 0.00 0.00 55.95 55.92 1rov s SER 59 Cb -0.13 -0.57 -0.02 0.00 0.10 0.00 0.00 66.02 65.40 1rov s SER 59 CO -0.02 0.20 -0.19 -0.76 0.98 0.00 0.00 173.24 173.44 1rov s LEU 60 N -1.97 2.08 -0.09 2.42 1.02 0.33 0.51 118.68 122.98 1rov s LEU 60 Ca 0.17 -0.40 -0.02 0.00 0.02 0.00 0.00 54.13 53.90 1rov s LEU 60 Cb -0.11 -0.96 0.03 0.00 0.02 0.00 0.00 46.19 45.17 1rov s LEU 60 CO 0.09 0.20 0.02 -1.58 0.02 0.00 0.00 176.35 175.10 1rov s GLN 61 N -0.69 0.51 0.45 1.70 0.74 0.18 -0.78 119.66 121.77 1rov s GLN 61 Ca 0.07 0.07 -0.20 0.00 0.05 0.00 0.00 55.36 55.35 1rov s GLN 61 Cb -0.08 -1.09 -0.10 0.00 1.10 0.00 0.00 33.01 32.84 1rov s GLN 61 CO 0.00 -0.36 0.97 -0.51 -0.55 0.00 0.00 175.29 174.84 1rov s LEU 62 N 1.99 3.89 -0.07 3.68 1.02 -1.26 0.76 118.68 128.69 1rov s LEU 62 Ca 0.04 1.73 0.03 0.00 0.02 0.00 0.00 54.13 55.95 1rov s LEU 62 Cb -0.13 -4.54 0.01 0.00 0.02 0.00 0.00 46.19 41.55 1rov s LEU 62 CO -0.05 -0.48 -0.14 -0.63 0.02 0.00 0.00 176.35 175.06 1rov s ILE 63 N -2.18 1.31 0.21 -0.59 -1.09 0.97 -1.60 121.20 118.23 1rov s ILE 63 Ca 0.63 -0.58 -0.30 0.00 -2.23 0.00 0.00 60.65 58.17 1rov s ILE 63 Cb -0.11 -1.17 -0.08 0.00 -1.58 0.00 0.00 42.46 39.51 1rov s ILE 63 CO 0.16 0.39 1.19 -0.55 -1.23 0.00 0.00 174.94 174.91 1rov s SER 64 N 0.57 7.09 0.20 3.58 0.15 0.22 -1.39 113.70 124.12 1rov s SER 64 Ca -0.15 2.27 0.23 0.00 0.70 0.00 0.00 55.95 59.01 1rov s SER 64 Cb -0.16 -2.61 0.17 0.00 -1.71 0.00 0.00 66.02 61.70 1rov s SER 64 CO 0.05 -0.35 1.21 0.00 1.20 0.00 0.00 173.24 175.35 1rov h ALA 65 N 4.88 0.58 0.00 5.45 0.00 -0.63 -3.38 119.26 126.15 1rov h ALA 65 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1rov h ALA 65 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1rov h ALA 65 CO 0.73 0.00 0.00 0.25 0.00 0.00 0.00 179.25 180.23 1rov n THR 66 N -2.51 0.00 -4.74 0.00 -2.24 -1.25 -4.23 114.28 99.31 1rov n THR 66 Ca 0.02 -0.48 -0.32 0.00 -2.27 0.00 0.00 64.05 60.99 1rov n THR 66 Cb 0.51 1.01 -0.17 0.00 -2.10 0.00 0.00 70.33 69.58 1rov n THR 66 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1rov s LYS 67 N -0.76 3.03 0.16 -0.78 3.01 -1.26 -4.97 119.74 118.18 1rov s LYS 67 Ca 0.00 -0.85 0.06 0.00 -1.01 0.00 0.00 55.97 54.17 1rov s LYS 67 Cb 0.00 -2.42 -0.04 0.00 -1.01 0.00 0.00 37.83 34.36 1rov s LYS 67 CO 0.00 0.02 0.07 0.00 0.51 0.00 0.00 175.35 175.94 1rov s ALA 68 N 0.74 3.40 1.00 5.17 0.00 -1.26 -1.81 121.76 129.00 1rov s ALA 68 Ca -0.09 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 50.61 1rov s ALA 68 Cb -0.16 -1.20 0.00 0.00 0.00 0.00 0.00 23.12 21.76 1rov s ALA 68 CO -0.00 0.52 0.00 -0.40 0.00 0.00 0.00 175.76 175.88 1rov n ASP 69 N -0.15 -0.37 -0.20 0.00 3.85 0.43 -4.72 116.55 115.39 1rov n ASP 69 Ca -0.09 -0.61 -0.04 0.00 -0.71 0.00 0.00 54.79 53.34 1rov n ASP 69 Cb 0.55 0.00 0.03 0.00 -1.35 0.00 0.00 41.12 40.34 1rov n ASP 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1rov h ALA 70 N -2.00 0.11 -1.18 2.12 0.00 -2.00 -3.20 119.26 113.11 1rov h ALA 70 Ca 0.00 0.19 -0.59 0.00 0.00 0.00 0.00 54.91 54.51 1rov h ALA 70 Cb 0.00 0.67 -0.41 0.00 0.00 0.00 0.00 17.79 18.04 1rov h ALA 70 CO 0.00 -0.59 -0.62 0.27 0.00 0.00 0.00 179.25 178.31 1rov n ASN 71 N -5.44 5.05 0.00 0.00 0.23 -1.26 -4.90 115.26 108.94 1rov n ASN 71 Ca 0.05 -3.74 0.00 0.00 -0.53 0.00 0.00 54.58 50.36 1rov n ASN 71 Cb 0.35 -0.46 0.00 0.00 -2.08 0.00 0.00 39.78 37.58 1rov n ASN 71 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1rov n GLY 72 N -0.59 2.94 3.76 4.83 0.00 -1.21 -5.04 105.19 109.88 1rov n GLY 72 Ca 0.43 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.05 1rov n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rov s LYS 73 N -0.89 4.76 0.37 1.61 1.02 -1.26 -4.00 119.74 121.35 1rov s LYS 73 Ca 0.00 1.38 -0.26 0.00 0.02 0.00 0.00 55.97 57.10 1rov s LYS 73 Cb 0.00 -3.25 -0.12 0.00 -0.52 0.00 0.00 37.83 33.94 1rov s LYS 73 CO 0.00 0.52 1.16 0.41 -0.92 0.00 0.00 175.35 176.52 1rov n GLY 74 N 1.47 0.20 3.77 -3.33 0.00 0.11 0.16 105.19 107.58 1rov n GLY 74 Ca -0.03 0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 1rov n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rov s LYS 75 N -1.93 4.51 -0.15 1.61 1.02 -0.75 -4.60 119.74 119.44 1rov s LYS 75 Ca 0.59 1.69 -0.11 0.00 0.02 0.00 0.00 55.97 58.16 1rov s LYS 75 Cb -0.58 -2.99 -0.05 0.00 -0.52 0.00 0.00 37.83 33.69 1rov s LYS 75 CO 0.59 0.13 0.21 -0.51 -0.92 0.00 0.00 175.35 174.85 1rov s LEU 76 N -1.80 4.28 0.00 3.17 1.02 -1.26 -0.61 118.68 123.48 1rov s LEU 76 Ca 0.48 0.43 0.00 0.00 0.02 0.00 0.00 54.13 55.06 1rov s LEU 76 Cb -0.28 -2.22 0.00 0.00 0.02 0.00 0.00 46.19 43.70 1rov s LEU 76 CO 0.36 0.21 0.00 0.61 0.02 0.00 0.00 176.35 177.55 1rov n GLY 77 N 3.03 -1.79 3.84 -3.19 0.00 -0.63 -5.00 105.19 101.45 1rov n GLY 77 Ca -0.15 -1.49 -0.36 0.00 0.00 0.00 0.00 46.02 44.01 1rov n GLY 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rov s LYS 78 N -0.95 3.99 0.11 1.61 -0.14 -1.26 -4.74 119.74 118.35 1rov s LYS 78 Ca 0.00 0.49 -0.31 0.00 -1.36 0.00 0.00 55.97 54.79 1rov s LYS 78 Cb 0.00 -3.06 -0.08 0.00 -1.68 0.00 0.00 37.83 33.01 1rov s LYS 78 CO 0.00 0.57 1.37 0.00 -0.76 0.00 0.00 175.35 176.53 1rov s ALA 79 N -1.30 3.57 -0.05 5.17 0.00 -1.26 -4.52 121.76 123.36 1rov s ALA 79 Ca 0.32 1.09 0.03 0.00 0.00 0.00 0.00 51.96 53.40 1rov s ALA 79 Cb -0.16 -3.53 0.01 0.00 0.00 0.00 0.00 23.12 19.43 1rov s ALA 79 CO 0.18 -0.61 -0.14 0.99 0.00 0.00 0.00 175.76 176.18 1rov s THR 80 N 1.15 1.26 0.32 0.00 2.01 0.04 -4.94 115.64 115.48 1rov s THR 80 Ca 0.64 -0.59 -0.09 0.00 0.31 0.00 0.00 61.69 61.97 1rov s THR 80 Cb -0.36 -1.11 -0.06 0.00 0.01 0.00 0.00 72.50 70.97 1rov s THR 80 CO 0.30 0.38 0.64 -0.36 -0.69 0.00 0.00 174.62 174.89 1rov s PHE 81 N 0.35 3.45 -0.16 4.92 0.40 -1.26 -0.51 117.98 125.18 1rov s PHE 81 Ca -0.09 0.88 -0.38 0.00 -0.60 0.00 0.00 56.93 56.74 1rov s PHE 81 Cb -0.13 -2.29 -0.15 0.00 0.51 0.00 0.00 43.02 40.96 1rov s PHE 81 CO 0.03 0.10 1.71 1.28 0.70 0.00 0.00 175.22 179.04 1rov n LEU 82 N -0.81 2.58 -3.82 -0.37 4.32 -0.88 -4.78 117.00 113.24 1rov n LEU 82 Ca 0.01 1.06 -0.28 0.00 -0.02 0.00 0.00 56.01 56.77 1rov n LEU 82 Cb 0.53 -1.22 -0.11 0.00 -1.62 0.00 0.00 43.42 41.01 1rov n LEU 82 CO 0.47 -0.42 0.01 1.21 -1.22 0.00 0.00 177.39 177.44 1rov n GLU 83 N 5.17 2.03 0.00 3.23 4.07 0.76 -4.60 120.64 131.30 1rov n GLU 83 Ca 0.24 -4.53 0.00 0.00 -0.06 0.00 0.00 57.16 52.80 1rov n GLU 83 Cb 0.19 -2.29 0.00 0.00 -0.06 0.00 0.00 31.44 29.28 1rov n GLU 83 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1rov n GLY 84 N 1.74 2.88 3.75 8.31 0.00 -1.20 -3.92 105.19 116.75 1rov n GLY 84 Ca 0.22 -1.59 -0.40 0.00 0.00 0.00 0.00 46.02 44.25 1rov n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rov s ILE 85 N -1.22 4.17 -0.29 -0.61 1.01 -1.26 0.24 121.20 123.24 1rov s ILE 85 Ca 0.00 2.00 -0.05 0.00 0.00 0.00 0.00 60.65 62.60 1rov s ILE 85 Cb 0.00 -4.29 0.02 0.00 0.01 0.00 0.00 42.46 38.20 1rov s ILE 85 CO 0.00 0.49 0.04 -0.63 0.00 0.00 0.00 174.94 174.84 1rov s ILE 86 N -1.09 3.59 0.29 2.92 1.01 0.36 -4.72 121.20 123.57 1rov s ILE 86 Ca 0.40 -0.88 0.03 0.00 0.00 0.00 0.00 60.65 60.20 1rov s ILE 86 Cb -0.25 -2.89 0.08 0.00 0.01 0.00 0.00 42.46 39.42 1rov s ILE 86 CO 0.31 0.06 1.75 0.74 0.00 0.00 0.00 174.94 177.80 1rov h THR 87 N 6.02 1.25 -2.43 2.92 2.02 -1.97 -3.37 112.91 117.35 1rov h THR 87 Ca -0.30 -1.18 -0.09 0.00 0.77 0.00 0.00 66.41 65.61 1rov h THR 87 Cb 1.11 1.28 -0.23 0.00 -1.74 0.00 0.00 68.15 68.58 1rov h THR 87 CO 0.59 0.38 -0.08 -0.55 0.37 0.00 0.00 175.52 176.23 1rov s SER 88 N -6.80 -0.56 0.06 4.18 0.15 -1.26 -5.01 113.70 104.46 1rov s SER 88 Ca -0.07 1.07 -0.08 0.00 0.70 0.00 0.00 55.95 57.57 1rov s SER 88 Cb 0.14 1.08 -0.00 0.00 -1.71 0.00 0.00 66.02 65.53 1rov s SER 88 CO 0.78 -0.20 0.17 -0.76 1.20 0.00 0.00 173.24 174.43 1rov s LEU 89 N 0.23 1.50 0.52 3.45 2.01 -1.26 -5.04 118.68 120.08 1rov s LEU 89 Ca -0.00 -0.55 0.22 0.00 0.01 0.00 0.00 54.13 53.80 1rov s LEU 89 Cb -0.04 0.92 1.38 0.00 0.01 0.00 0.00 46.19 48.46 1rov s LEU 89 CO 0.01 -0.64 2.11 -0.65 1.01 0.00 0.00 176.35 178.20 1rov h PRO 90 N 3.12 0.00 -0.11 1.29 0.11 -2.04 -2.93 132.00 131.44 1rov h PRO 90 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1rov h PRO 90 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1rov h PRO 90 CO 0.53 0.08 0.00 -2.37 -0.21 0.00 0.00 178.00 176.03 1rov n THR 91 N -4.10 0.19 0.00 -1.15 5.66 -1.26 -4.82 114.28 108.80 1rov n THR 91 Ca -0.03 -0.59 0.00 0.00 -3.05 0.00 0.00 64.05 60.38 1rov n THR 91 Cb 0.17 1.18 0.00 0.00 -1.55 0.00 0.00 70.33 70.13 1rov n THR 91 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1rov n LEU 92 N 0.92 0.00 0.00 1.09 0.00 -1.11 -4.99 117.00 112.91 1rov n LEU 92 Ca 0.11 0.91 0.00 0.00 0.00 0.00 0.00 56.01 57.03 1rov n LEU 92 Cb 0.42 -0.41 0.00 0.00 0.00 0.00 0.00 43.42 43.43 1rov n LEU 92 CO 0.10 -0.41 0.00 0.61 0.00 0.00 0.00 177.39 177.70 1rov n GLY 93 N -0.95 1.85 3.63 -3.96 0.00 -1.26 -4.66 105.19 99.83 1rov n GLY 93 Ca 0.00 -1.53 -0.50 0.00 0.00 0.00 0.00 46.02 43.99 1rov n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rov n ALA 94 N 2.00 -0.08 -0.91 4.61 0.00 -1.26 -1.30 120.51 123.57 1rov n ALA 94 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1rov n ALA 94 Cb 0.00 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.26 1rov n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rov n GLY 95 N 2.97 0.56 3.87 0.00 0.00 -1.26 -5.00 105.19 106.33 1rov n GLY 95 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1rov n GLY 95 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rov s GLN 96 N -0.42 3.74 -0.02 1.61 -0.21 -0.42 -4.38 119.66 119.55 1rov s GLN 96 Ca 0.00 0.14 0.06 0.00 0.02 0.00 0.00 55.36 55.57 1rov s GLN 96 Cb 0.00 -3.00 -0.01 0.00 1.00 0.00 0.00 33.01 31.00 1rov s GLN 96 CO 0.00 0.56 -0.19 -1.12 -2.12 0.00 0.00 175.29 172.42 1rov s SER 97 N -1.79 2.24 0.18 5.90 0.01 0.37 -4.89 113.70 115.72 1rov s SER 97 Ca 0.33 -0.35 0.11 0.00 1.31 0.00 0.00 55.95 57.35 1rov s SER 97 Cb -0.14 -0.34 -0.04 0.00 0.21 0.00 0.00 66.02 65.71 1rov s SER 97 CO 0.18 0.22 -0.21 0.00 0.41 0.00 0.00 173.24 173.84 1rov s ALA 98 N -0.34 2.62 -0.10 1.44 0.00 -1.26 -1.34 121.76 122.79 1rov s ALA 98 Ca 0.05 -1.58 -0.05 0.00 0.00 0.00 0.00 51.96 50.37 1rov s ALA 98 Cb -0.08 -0.44 0.04 0.00 0.00 0.00 0.00 23.12 22.65 1rov s ALA 98 CO -0.00 0.45 0.23 -0.06 0.00 0.00 0.00 175.76 176.38 1rov s PHE 99 N -1.63 -0.30 0.42 0.00 0.08 -0.46 -0.49 117.98 115.61 1rov s PHE 99 Ca 0.21 0.73 -0.22 0.00 0.12 0.00 0.00 56.93 57.77 1rov s PHE 99 Cb -0.08 0.03 -0.10 0.00 -0.57 0.00 0.00 43.02 42.29 1rov s PHE 99 CO 0.11 -0.22 0.98 -1.59 -0.10 0.00 0.00 175.22 174.40 1rov s LYS 100 N 1.20 4.21 -0.28 0.44 -2.85 0.14 -1.53 119.74 121.07 1rov s LYS 100 Ca -0.09 1.25 -0.19 0.00 -1.00 0.00 0.00 55.97 55.94 1rov s LYS 100 Cb -0.10 -2.33 0.11 0.00 -2.06 0.00 0.00 37.83 33.45 1rov s LYS 100 CO -0.08 -0.06 0.86 -1.50 0.10 0.00 0.00 175.35 174.67 1rov s ILE 101 N -1.97 0.00 -0.13 3.79 2.07 -0.87 -0.17 121.20 123.92 1rov s ILE 101 Ca 0.60 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.86 1rov s ILE 101 Cb -0.14 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.47 1rov s ILE 101 CO 0.18 0.00 -0.18 0.20 -1.91 0.00 0.00 174.94 173.23 1rov s ASN 102 N 1.08 2.73 -0.22 4.50 0.02 -1.26 0.91 114.94 122.70 1rov s ASN 102 Ca -0.06 -0.51 -0.09 0.00 -1.02 0.00 0.00 52.86 51.19 1rov s ASN 102 Cb -0.05 -1.24 -0.04 0.00 0.02 0.00 0.00 41.25 39.94 1rov s ASN 102 CO -0.13 0.03 0.11 -0.36 0.02 0.00 0.00 177.10 176.78 1rov s PHE 103 N 0.97 3.26 -0.20 2.20 0.08 0.16 -4.91 117.98 119.53 1rov s PHE 103 Ca -0.06 0.07 -0.29 0.00 0.12 0.00 0.00 56.93 56.78 1rov s PHE 103 Cb -0.15 -2.20 -0.04 0.00 -0.57 0.00 0.00 43.02 40.06 1rov s PHE 103 CO -0.03 0.03 1.78 -2.00 -0.10 0.00 0.00 175.22 174.90 1rov s GLU 104 N 0.93 3.67 0.00 0.44 2.12 -1.26 0.09 118.70 124.68 1rov s GLU 104 Ca 0.06 1.81 -0.26 0.00 0.36 0.00 0.00 54.97 56.95 1rov s GLU 104 Cb -0.13 -4.13 0.06 0.00 0.26 0.00 0.00 34.13 30.19 1rov s GLU 104 CO 0.03 -1.46 0.58 -0.46 -0.54 0.00 0.00 175.26 173.41 1rov s TRP 105 N 5.84 -0.51 0.37 5.30 -0.11 0.10 -4.73 118.94 125.18 1rov s TRP 105 Ca 0.79 0.75 -0.05 0.00 1.22 0.00 0.00 56.10 58.81 1rov s TRP 105 Cb -0.28 0.36 0.02 0.00 -1.50 0.00 0.00 33.47 32.07 1rov s TRP 105 CO 0.32 -0.61 0.56 0.16 -4.62 0.00 0.00 176.95 172.76 1rov s ASP 106 N -1.58 0.81 -0.63 5.86 -4.77 -1.26 -3.33 116.67 111.76 1rov s ASP 106 Ca -0.09 -1.46 -0.28 0.00 -3.30 0.00 0.00 52.55 47.43 1rov s ASP 106 Cb -0.01 0.72 0.03 0.00 -1.09 0.00 0.00 42.92 42.57 1rov s ASP 106 CO 0.04 -1.42 1.22 -1.81 0.70 0.00 0.00 175.17 173.90 1rov s ASP 107 N -3.22 6.35 0.00 2.11 1.11 -1.26 -1.47 116.67 120.30 1rov s ASP 107 Ca 0.27 -0.09 0.00 0.00 0.18 0.00 0.00 52.55 52.91 1rov s ASP 107 Cb -0.02 -2.55 0.00 0.00 1.07 0.00 0.00 42.92 41.42 1rov s ASP 107 CO 0.19 -1.59 0.00 0.61 1.18 0.00 0.00 175.17 175.56 1rov n GLY 108 N 5.17 4.13 0.11 0.21 0.00 -1.26 -4.91 105.19 108.63 1rov n GLY 108 Ca 0.07 -0.63 0.13 0.00 0.00 0.00 0.00 46.02 45.58 1rov n GLY 108 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rov n SER 109 N 0.00 0.71 0.00 1.61 7.64 -0.54 -4.95 113.62 118.09 1rov n SER 109 Ca 0.00 0.60 0.00 0.00 1.01 0.00 0.00 58.87 60.48 1rov n SER 109 Cb 0.00 -0.78 0.00 0.00 -1.01 0.00 0.00 64.21 62.42 1rov n SER 109 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rov n GLY 110 N 0.88 -1.07 3.54 0.23 0.00 -1.24 -4.59 105.19 102.94 1rov n GLY 110 Ca 0.05 -1.23 -0.34 0.00 0.00 0.00 0.00 46.02 44.50 1rov n GLY 110 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rov s ILE 111 N 0.00 4.20 0.31 -0.61 1.01 -1.26 -4.88 121.20 119.97 1rov s ILE 111 Ca 0.00 -0.25 -0.29 0.00 0.00 0.00 0.00 60.65 60.11 1rov s ILE 111 Cb 0.00 -2.86 -0.11 0.00 0.01 0.00 0.00 42.46 39.50 1rov s ILE 111 CO 0.00 0.48 1.50 -2.84 0.00 0.00 0.00 174.94 174.08 1rov s PRO 112 N 0.40 4.17 0.00 2.79 0.02 -1.26 0.07 135.00 141.19 1rov s PRO 112 Ca -0.01 2.49 0.00 0.00 0.02 0.00 0.00 61.00 63.49 1rov s PRO 112 Cb -0.14 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.36 1rov s PRO 112 CO 0.02 -0.52 0.00 0.41 -0.33 0.00 0.00 177.00 176.58 1rov n GLY 113 N 1.50 0.99 3.84 0.52 0.00 -0.49 -4.67 105.19 106.89 1rov n GLY 113 Ca 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.00 1rov n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rov s ALA 114 N -0.48 -1.23 0.02 4.61 0.00 -1.16 -1.16 121.76 122.35 1rov s ALA 114 Ca 0.00 -0.30 -0.18 0.00 0.00 0.00 0.00 51.96 51.48 1rov s ALA 114 Cb 0.00 0.81 0.03 0.00 0.00 0.00 0.00 23.12 23.96 1rov s ALA 114 CO 0.00 -1.04 0.40 -0.59 0.00 0.00 0.00 175.76 174.54 1rov s PHE 115 N -3.69 -0.27 -0.09 0.00 -0.12 0.07 -0.02 117.98 113.86 1rov s PHE 115 Ca 0.12 0.29 -0.05 0.00 -0.05 0.00 0.00 56.93 57.23 1rov s PHE 115 Cb -0.05 0.20 -0.04 0.00 -0.63 0.00 0.00 43.02 42.50 1rov s PHE 115 CO 0.07 -0.53 0.12 0.71 -0.05 0.00 0.00 175.22 175.54 1rov s TYR 116 N -2.13 3.51 -0.02 3.49 2.02 0.23 -1.65 117.35 122.80 1rov s TYR 116 Ca -0.07 0.43 0.06 0.00 -0.37 0.00 0.00 57.07 57.11 1rov s TYR 116 Cb -0.02 -1.89 -0.01 0.00 -0.40 0.00 0.00 41.96 39.64 1rov s TYR 116 CO 0.00 0.67 -0.18 -1.50 -1.57 0.00 0.00 175.55 172.97 1rov s ILE 117 N -1.07 1.45 -0.05 2.71 2.07 -0.87 -0.64 121.20 124.80 1rov s ILE 117 Ca 0.17 -0.78 0.03 0.00 -1.41 0.00 0.00 60.65 58.66 1rov s ILE 117 Cb -0.12 -1.21 0.00 0.00 0.13 0.00 0.00 42.46 41.27 1rov s ILE 117 CO 0.07 0.41 -0.15 -0.54 -1.91 0.00 0.00 174.94 172.82 1rov s LYS 118 N -0.41 1.77 -0.27 3.50 1.02 0.18 -3.62 119.74 121.92 1rov s LYS 118 Ca 0.06 -0.52 -0.08 0.00 0.02 0.00 0.00 55.97 55.46 1rov s LYS 118 Cb -0.07 -1.49 -0.01 0.00 -0.52 0.00 0.00 37.83 35.73 1rov s LYS 118 CO -0.01 0.14 0.09 1.21 -0.92 0.00 0.00 175.35 175.86 1rov s ASN 119 N 0.33 5.21 0.00 2.83 2.47 -1.26 -0.48 114.94 124.03 1rov s ASN 119 Ca -0.09 -0.41 0.21 0.00 0.42 0.00 0.00 52.86 52.99 1rov s ASN 119 Cb -0.13 -1.93 0.51 0.00 -1.45 0.00 0.00 41.25 38.25 1rov s ASN 119 CO 0.03 -0.11 1.43 0.49 -3.72 0.00 0.00 177.10 175.22 1rov n PHE 120 N 4.92 0.73 0.17 0.43 3.72 0.10 -1.07 117.46 126.46 1rov n PHE 120 Ca -0.15 -0.41 0.06 0.00 -0.05 0.00 0.00 57.45 56.90 1rov n PHE 120 Cb 0.50 -0.00 0.08 0.00 -0.94 0.00 0.00 39.48 39.11 1rov n PHE 120 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 1rov h MET 121 N 3.95 0.00 0.00 -1.08 2.86 -1.93 -3.48 114.93 115.25 1rov h MET 121 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1rov h MET 121 Cb 0.94 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.60 1rov h MET 121 CO 0.00 0.30 0.00 1.04 1.06 0.00 0.00 176.91 179.31 1rov n GLN 122 N -3.16 0.00 -2.77 1.72 1.13 -1.26 -4.96 117.38 108.07 1rov n GLN 122 Ca 0.03 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.68 1rov n GLN 122 Cb 0.66 0.00 -0.05 0.00 0.11 0.00 0.00 30.24 30.96 1rov n GLN 122 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1rov s THR 123 N 0.00 4.52 0.59 5.09 2.01 -1.26 -4.70 115.64 121.89 1rov s THR 123 Ca 0.00 2.00 -0.17 0.00 0.31 0.00 0.00 61.69 63.84 1rov s THR 123 Cb 0.00 -4.29 -0.03 0.00 0.01 0.00 0.00 72.50 68.18 1rov s THR 123 CO 0.00 0.33 1.09 -1.83 -0.69 0.00 0.00 174.62 173.52 1rov s GLU 124 N -0.06 3.21 0.10 4.92 1.03 -1.26 -4.85 118.70 121.80 1rov s GLU 124 Ca 0.45 1.36 -0.00 0.00 0.03 0.00 0.00 54.97 56.81 1rov s GLU 124 Cb -0.23 -2.01 -0.04 0.00 -0.80 0.00 0.00 34.13 31.05 1rov s GLU 124 CO 0.29 -0.92 -0.00 -0.59 -1.33 0.00 0.00 175.26 172.71 1rov s PHE 125 N -2.23 0.80 -0.37 4.83 -0.12 -1.13 -4.01 117.98 115.76 1rov s PHE 125 Ca 0.67 -1.09 -0.14 0.00 -0.05 0.00 0.00 56.93 56.31 1rov s PHE 125 Cb -0.19 -0.49 -0.00 0.00 -0.63 0.00 0.00 43.02 41.71 1rov s PHE 125 CO 0.34 -0.36 0.30 0.12 -0.05 0.00 0.00 175.22 175.58 1rov s PHE 126 N -3.87 3.22 -0.43 3.49 5.36 -0.27 -0.71 117.98 124.76 1rov s PHE 126 Ca 0.16 -0.31 -0.26 0.00 -0.96 0.00 0.00 56.93 55.57 1rov s PHE 126 Cb 0.07 -2.59 0.02 0.00 -0.34 0.00 0.00 43.02 40.18 1rov s PHE 126 CO -0.03 -0.48 0.92 -1.17 -1.46 0.00 0.00 175.22 173.00 1rov s LEU 127 N 1.81 4.00 -0.13 6.12 2.96 0.71 0.09 118.68 134.23 1rov s LEU 127 Ca 0.07 0.27 -0.09 0.00 -0.22 0.00 0.00 54.13 54.16 1rov s LEU 127 Cb -0.18 -3.22 -0.06 0.00 0.50 0.00 0.00 46.19 43.23 1rov s LEU 127 CO 0.11 -0.99 0.03 0.58 -1.32 0.00 0.00 176.35 174.76 1rov h VAL 128 N 6.00 0.30 -3.31 1.68 2.07 -1.49 -0.94 116.25 120.55 1rov h VAL 128 Ca -0.24 -1.29 -0.02 0.00 0.82 0.00 0.00 66.70 65.98 1rov h VAL 128 Cb 1.08 0.62 -0.10 0.00 -1.52 0.00 0.00 31.29 31.37 1rov h VAL 128 CO 1.01 0.10 0.04 -0.94 0.02 0.00 0.00 177.57 177.80 1rov s SER 129 N -5.86 -0.25 -0.05 0.57 1.04 -0.81 -0.21 113.70 108.13 1rov s SER 129 Ca -0.12 -0.52 0.03 0.00 0.48 0.00 0.00 55.95 55.83 1rov s SER 129 Cb 0.01 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.73 1rov s SER 129 CO 0.24 -1.08 -0.14 -0.22 0.98 0.00 0.00 173.24 173.02 1rov s LEU 130 N -2.89 1.79 -0.09 2.42 2.96 -0.78 -0.91 118.68 121.19 1rov s LEU 130 Ca 0.10 -0.30 0.04 0.00 -0.22 0.00 0.00 54.13 53.75 1rov s LEU 130 Cb -0.01 -0.83 -0.01 0.00 0.50 0.00 0.00 46.19 45.84 1rov s LEU 130 CO -0.01 0.09 -0.22 -0.89 -1.32 0.00 0.00 176.35 174.00 1rov s THR 131 N 0.31 2.27 -0.20 3.68 2.01 -0.12 -0.88 115.64 122.70 1rov s THR 131 Ca -0.08 -0.96 -0.01 0.00 0.31 0.00 0.00 61.69 60.95 1rov s THR 131 Cb -0.13 -1.87 0.01 0.00 0.01 0.00 0.00 72.50 70.53 1rov s THR 131 CO 0.02 0.56 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.62 1rov s LEU 132 N 0.14 2.48 -0.04 4.42 1.43 0.10 -1.40 118.68 125.81 1rov s LEU 132 Ca -0.12 -0.57 0.00 0.00 -1.03 0.00 0.00 54.13 52.42 1rov s LEU 132 Cb -0.16 -1.59 -0.03 0.00 0.03 0.00 0.00 46.19 44.44 1rov s LEU 132 CO 0.06 -0.01 -0.01 -1.61 0.23 0.00 0.00 176.35 175.01 1rov s GLU 133 N 1.36 2.86 0.00 1.70 0.41 -0.25 -0.94 118.70 123.84 1rov s GLU 133 Ca 0.05 -0.52 0.00 0.00 -0.41 0.00 0.00 54.97 54.09 1rov s GLU 133 Cb -0.14 -2.71 0.00 0.00 -1.78 0.00 0.00 34.13 29.50 1rov s GLU 133 CO -0.09 0.66 0.00 -3.47 -0.49 0.00 0.00 175.26 171.87 1rov n ASP 134 N 1.78 0.87 0.00 -0.19 2.03 -1.26 -2.28 116.55 117.49 1rov n ASP 134 Ca -0.16 -0.56 0.00 0.00 0.52 0.00 0.00 54.79 54.59 1rov n ASP 134 Cb 0.53 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.93 1rov n ASP 134 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1rov n ILE 135 N -0.32 0.00 0.00 5.18 3.06 -1.26 -4.65 119.36 121.37 1rov n ILE 135 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 1rov n ILE 135 Cb 0.00 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.18 1rov n ILE 135 CO 0.00 0.00 0.00 -2.65 -2.50 0.00 0.00 176.55 171.40 1rov n PRO 136 N 0.00 0.00 -0.42 9.51 -0.01 -1.26 -2.98 135.00 139.83 1rov n PRO 136 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 63.50 63.52 1rov n PRO 136 Cb 0.00 0.00 0.20 0.00 -0.01 0.00 0.00 33.50 33.69 1rov n PRO 136 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 175.50 173.78 1rov n ASN 137 N 0.00 3.23 -4.69 2.55 5.15 -1.26 -4.88 115.26 115.36 1rov n ASN 137 Ca 0.00 -2.43 -0.42 0.00 -0.60 0.00 0.00 54.58 51.13 1rov n ASN 137 Cb 0.00 -0.57 -0.03 0.00 -0.53 0.00 0.00 39.78 38.65 1rov n ASN 137 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 1rov s HIS 138 N -1.84 3.50 1.22 1.20 2.46 -1.16 -5.05 115.29 115.62 1rov s HIS 138 Ca 0.26 1.58 -0.20 0.00 0.47 0.00 0.00 55.06 57.18 1rov s HIS 138 Cb 0.20 -3.20 0.29 0.00 -0.13 0.00 0.00 32.58 29.75 1rov s HIS 138 CO 0.08 -0.26 1.12 0.20 -2.47 0.00 0.00 174.74 173.42 1rov s GLY 139 N 1.11 1.59 0.35 1.59 0.00 -1.26 -4.47 107.32 106.23 1rov s GLY 139 Ca 0.48 -1.02 -0.28 0.00 0.00 0.00 0.00 44.72 43.90 1rov s GLY 139 CO 0.18 -0.11 1.38 1.44 0.00 0.00 0.00 173.10 175.99 1rov n SER 140 N -4.79 3.20 -4.41 1.64 7.64 -1.26 -4.61 113.62 111.03 1rov n SER 140 Ca 0.14 1.21 -0.34 0.00 1.01 0.00 0.00 58.87 60.90 1rov n SER 140 Cb 0.60 -1.54 -0.13 0.00 -1.01 0.00 0.00 64.21 62.12 1rov n SER 140 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1rov s ILE 141 N -1.03 3.47 -0.04 0.44 1.01 -0.11 -4.94 121.20 119.99 1rov s ILE 141 Ca 0.55 -0.50 -0.00 0.00 0.00 0.00 0.00 60.65 60.70 1rov s ILE 141 Cb -0.53 -2.51 -0.03 0.00 0.01 0.00 0.00 42.46 39.39 1rov s ILE 141 CO 0.62 0.49 0.01 -2.28 0.00 0.00 0.00 174.94 173.78 1rov s HIS 142 N 0.57 3.14 -0.08 3.97 2.46 -1.26 0.03 115.29 124.12 1rov s HIS 142 Ca -0.05 0.15 0.01 0.00 0.47 0.00 0.00 55.06 55.63 1rov s HIS 142 Cb -0.15 -1.73 0.02 0.00 -0.13 0.00 0.00 32.58 30.59 1rov s HIS 142 CO 0.03 0.48 -0.09 -0.06 -2.47 0.00 0.00 174.74 172.63 1rov s PHE 143 N -1.02 1.36 -0.27 3.88 0.40 -0.06 -0.98 117.98 121.29 1rov s PHE 143 Ca 0.17 -0.57 -0.07 0.00 -0.60 0.00 0.00 56.93 55.86 1rov s PHE 143 Cb -0.11 -1.08 -0.01 0.00 0.51 0.00 0.00 43.02 42.32 1rov s PHE 143 CO 0.07 -0.37 0.08 0.08 0.70 0.00 0.00 175.22 175.78 1rov s VAL 144 N 1.17 4.19 -0.22 -0.44 1.01 -1.26 -1.86 120.40 122.98 1rov s VAL 144 Ca -0.05 -0.39 -0.10 0.00 0.00 0.00 0.00 61.98 61.43 1rov s VAL 144 Cb -0.14 -3.05 -0.10 0.00 0.00 0.00 0.00 36.38 33.09 1rov s VAL 144 CO -0.02 0.22 -0.28 0.00 0.00 0.00 0.00 175.10 175.02 1rov n ASN 146 N -3.91 -4.04 -3.82 0.00 3.02 -0.45 -4.98 115.26 101.08 1rov n ASN 146 Ca -0.43 -1.31 -0.12 0.00 -0.03 0.00 0.00 54.58 52.68 1rov n ASN 146 Cb 0.82 -1.63 -0.13 0.00 -0.61 0.00 0.00 39.78 38.24 1rov n ASN 146 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1rov s SER 147 N -3.54 -0.15 0.07 6.41 0.15 -0.66 -4.97 113.70 110.99 1rov s SER 147 Ca 0.49 0.30 -0.30 0.00 0.70 0.00 0.00 55.95 57.14 1rov s SER 147 Cb -0.27 0.30 -0.05 0.00 -1.71 0.00 0.00 66.02 64.29 1rov s SER 147 CO 0.98 -0.05 1.08 0.26 1.20 0.00 0.00 173.24 176.70 1rov s TRP 148 N 0.07 3.59 -0.43 3.44 0.52 -1.26 -0.21 118.94 124.66 1rov s TRP 148 Ca -0.00 1.55 -0.12 0.00 0.02 0.00 0.00 56.10 57.56 1rov s TRP 148 Cb -0.01 -3.25 0.07 0.00 -1.15 0.00 0.00 33.47 29.13 1rov s TRP 148 CO 0.00 -0.54 0.30 0.42 0.02 0.00 0.00 176.95 177.15 1rov s ILE 149 N 0.68 4.64 0.86 2.03 1.09 0.11 -4.94 121.20 125.67 1rov s ILE 149 Ca 0.53 -1.18 -0.12 0.00 -1.10 0.00 0.00 60.65 58.78 1rov s ILE 149 Cb -0.26 -3.77 0.13 0.00 -1.06 0.00 0.00 42.46 37.51 1rov s ILE 149 CO 0.30 -0.48 1.21 -0.31 -0.10 0.00 0.00 174.94 175.56 1rov s TYR 150 N 1.52 2.23 0.25 3.97 1.51 -1.26 -2.82 117.35 122.76 1rov s TYR 150 Ca 0.03 0.43 -0.30 0.00 -1.01 0.00 0.00 57.07 56.22 1rov s TYR 150 Cb -0.23 -3.70 -0.14 0.00 -0.11 0.00 0.00 41.96 37.79 1rov s TYR 150 CO 0.05 -2.11 1.26 -1.71 -1.11 0.00 0.00 175.55 171.93 1rov n ASN 151 N -3.43 2.19 0.32 2.29 2.85 -1.26 -4.42 115.26 113.81 1rov n ASN 151 Ca 0.12 1.16 0.21 0.00 -0.11 0.00 0.00 54.58 55.96 1rov n ASN 151 Cb 0.60 -1.37 1.14 0.00 1.24 0.00 0.00 39.78 41.39 1rov n ASN 151 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1rov h ALA 152 N 3.36 1.03 0.00 5.20 0.00 -1.47 -2.42 119.26 124.96 1rov h ALA 152 Ca -0.44 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 1rov h ALA 152 Cb 1.30 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1rov h ALA 152 CO 0.70 -0.03 -0.21 0.87 0.00 0.00 0.00 179.25 180.58 1rov h LYS 153 N 0.00 0.00 0.00 0.00 1.57 -1.89 -2.41 116.57 113.85 1rov h LYS 153 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1rov h LYS 153 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1rov h LYS 153 CO 0.00 0.21 0.00 1.28 -0.57 0.00 0.00 179.45 180.37 1rov n LEU 154 N -3.43 0.14 0.00 2.94 4.77 -0.91 -4.66 117.00 115.85 1rov n LEU 154 Ca -0.00 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.50 1rov n LEU 154 Cb 0.39 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1rov n LEU 154 CO 0.33 -0.20 0.00 0.49 -1.33 0.00 0.00 177.39 176.68 1rov n PHE 155 N -1.64 0.00 0.00 -1.77 3.72 -0.91 -5.04 117.46 111.82 1rov n PHE 155 Ca 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 1rov n PHE 155 Cb 0.25 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 38.64 1rov n PHE 155 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1rov n LYS 156 N -2.23 0.00 -4.91 -1.08 3.00 -1.26 -4.96 118.16 106.72 1rov n LYS 156 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 58.31 58.04 1rov n LYS 156 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 35.03 34.87 1rov n LYS 156 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1rov s SER 157 N 0.00 2.30 0.79 3.14 1.04 -1.26 -5.13 113.70 114.58 1rov s SER 157 Ca 0.00 -0.38 -0.13 0.00 0.48 0.00 0.00 55.95 55.93 1rov s SER 157 Cb 0.00 -0.63 0.07 0.00 0.10 0.00 0.00 66.02 65.56 1rov s SER 157 CO 0.00 0.17 1.16 -1.81 0.98 0.00 0.00 173.24 173.74 1rov s ASP 158 N -0.01 3.92 0.03 7.02 1.01 -1.26 -4.92 116.67 122.47 1rov s ASP 158 Ca -0.03 2.18 -0.30 0.00 0.71 0.00 0.00 52.55 55.10 1rov s ASP 158 Cb -0.12 -2.57 -0.07 0.00 1.01 0.00 0.00 42.92 41.17 1rov s ASP 158 CO 0.02 -2.44 1.62 -0.13 0.21 0.00 0.00 175.17 174.46 1rov s ARG 159 N -4.33 4.21 -0.08 8.23 1.81 -1.24 -4.89 118.95 122.66 1rov s ARG 159 Ca 0.69 2.25 0.01 0.00 -1.72 0.00 0.00 55.73 56.96 1rov s ARG 159 Cb -0.24 -3.70 -0.03 0.00 -0.45 0.00 0.00 34.95 30.53 1rov s ARG 159 CO 0.51 -0.74 -0.09 -1.50 -0.68 0.00 0.00 175.30 172.80 1rov s ILE 160 N 2.97 3.49 -0.01 1.52 2.07 -1.26 -2.04 121.20 127.94 1rov s ILE 160 Ca 0.73 -0.55 0.04 0.00 -1.41 0.00 0.00 60.65 59.46 1rov s ILE 160 Cb -0.37 -2.43 -0.01 0.00 0.13 0.00 0.00 42.46 39.78 1rov s ILE 160 CO 0.31 0.57 -0.12 -0.36 -1.91 0.00 0.00 174.94 173.43 1rov s PHE 161 N -0.49 1.13 0.17 3.50 0.08 -0.66 -5.00 117.98 116.71 1rov s PHE 161 Ca 0.07 -0.22 0.05 0.00 0.12 0.00 0.00 56.93 56.94 1rov s PHE 161 Cb -0.12 -0.73 -0.04 0.00 -0.57 0.00 0.00 43.02 41.56 1rov s PHE 161 CO 0.02 -0.03 0.18 -0.06 -0.10 0.00 0.00 175.22 175.23 1rov s PHE 162 N -0.23 3.22 0.99 0.36 0.08 -1.26 -0.75 117.98 120.39 1rov s PHE 162 Ca 0.04 -0.00 -0.12 0.00 0.12 0.00 0.00 56.93 56.96 1rov s PHE 162 Cb -0.05 -1.53 0.18 0.00 -0.57 0.00 0.00 43.02 41.05 1rov s PHE 162 CO -0.00 0.52 1.09 0.00 -0.10 0.00 0.00 175.22 176.72 1rov s ALA 163 N -1.80 0.99 0.33 5.36 0.00 -0.31 -4.51 121.76 121.83 1rov s ALA 163 Ca 0.32 -0.28 0.29 0.00 0.00 0.00 0.00 51.96 52.28 1rov s ALA 163 Cb -0.10 -3.14 1.07 0.00 0.00 0.00 0.00 23.12 20.95 1rov s ALA 163 CO 0.25 -2.80 1.00 -1.71 0.00 0.00 0.00 175.76 172.50 1rov n ASN 164 N -4.16 0.04 -4.66 0.00 4.05 -0.15 -4.82 115.26 105.55 1rov n ASN 164 Ca 0.05 0.72 -0.43 0.00 0.45 0.00 0.00 54.58 55.37 1rov n ASN 164 Cb 0.57 -0.36 -0.02 0.00 1.23 0.00 0.00 39.78 41.20 1rov n ASN 164 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 1rov s GLN 165 N -4.33 4.22 0.17 1.20 1.11 -1.26 -1.97 119.66 118.80 1rov s GLN 165 Ca -0.04 1.85 -0.30 0.00 0.01 0.00 0.00 55.36 56.88 1rov s GLN 165 Cb 0.18 -3.83 -0.07 0.00 -1.01 0.00 0.00 33.01 28.28 1rov s GLN 165 CO 0.56 -0.74 0.95 -0.08 0.01 0.00 0.00 175.29 175.99 1rov s THR 166 N 3.61 4.30 -0.06 -0.19 -1.32 -1.26 -4.90 115.64 115.81 1rov s THR 166 Ca 0.61 2.08 -0.03 0.00 -1.21 0.00 0.00 61.69 63.15 1rov s THR 166 Cb -0.26 -4.33 0.04 0.00 -1.51 0.00 0.00 72.50 66.44 1rov s THR 166 CO 0.20 0.40 0.13 -0.31 -2.21 0.00 0.00 174.62 172.83 1rov s TYR 167 N -0.55 -0.13 0.73 9.09 2.02 -0.26 -4.94 117.35 123.31 1rov s TYR 167 Ca 0.44 0.45 -0.13 0.00 -0.37 0.00 0.00 57.07 57.47 1rov s TYR 167 Cb -0.25 -0.15 0.04 0.00 -0.40 0.00 0.00 41.96 41.20 1rov s TYR 167 CO 0.31 -0.18 1.11 -0.51 -1.57 0.00 0.00 175.55 174.71 1rov s LEU 168 N 1.42 3.19 0.00 -1.29 1.43 -1.26 -4.03 118.68 118.14 1rov s LEU 168 Ca -0.06 1.97 0.00 0.00 -1.03 0.00 0.00 54.13 55.01 1rov s LEU 168 Cb -0.12 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.56 1rov s LEU 168 CO -0.05 -1.97 0.27 -2.65 0.23 0.00 0.00 176.35 172.18 1rov n PRO 169 N -3.04 0.32 0.00 1.29 -0.02 -1.26 -1.64 135.00 130.64 1rov n PRO 169 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1rov n PRO 169 Cb 0.52 -1.04 0.00 0.00 -0.02 0.00 0.00 33.50 32.96 1rov n PRO 169 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1rov n SER 170 N -0.26 0.00 -3.86 2.55 2.88 -1.26 -4.75 113.62 108.92 1rov n SER 170 Ca 0.00 0.01 -0.31 0.00 -1.33 0.00 0.00 58.87 57.24 1rov n SER 170 Cb 0.02 -0.01 0.01 0.00 -0.75 0.00 0.00 64.21 63.48 1rov n SER 170 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1rov n GLU 171 N -0.70 -0.60 -0.00 -1.46 1.02 -0.65 -4.65 120.64 113.60 1rov n GLU 171 Ca 0.00 0.05 -0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1rov n GLU 171 Cb 0.16 -1.52 -0.00 0.00 -0.02 0.00 0.00 31.44 30.06 1rov n GLU 171 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1rov h THR 172 N -0.80 0.00 -1.65 2.62 2.02 -1.83 -3.33 112.91 109.94 1rov h THR 172 Ca -0.51 0.00 -0.70 0.00 0.77 0.00 0.00 66.41 65.98 1rov h THR 172 Cb 1.02 0.00 0.04 0.00 -1.74 0.00 0.00 68.15 67.47 1rov h THR 172 CO 0.35 0.00 0.63 -2.65 0.37 0.00 0.00 175.52 174.22 1rov n PRO 173 N -2.74 1.19 -0.22 6.66 -0.02 -1.26 -4.80 135.00 133.80 1rov n PRO 173 Ca -0.00 0.43 0.02 0.00 -2.02 0.00 0.00 63.50 61.93 1rov n PRO 173 Cb 0.01 -2.09 0.14 0.00 -0.02 0.00 0.00 33.50 31.53 1rov n PRO 173 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rov h ALA 174 N 5.59 0.83 0.00 3.55 0.00 -1.85 -0.55 119.26 126.83 1rov h ALA 174 Ca -0.47 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1rov h ALA 174 Cb 1.33 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1rov h ALA 174 CO 0.85 -0.27 0.00 -2.30 0.00 0.00 0.00 179.25 177.53 1rov n PRO 175 N -5.08 0.14 0.00 0.00 -0.02 -1.26 -2.00 135.00 126.78 1rov n PRO 175 Ca 0.11 0.18 0.04 0.00 -2.02 0.00 0.00 63.50 61.81 1rov n PRO 175 Cb 0.35 -1.50 -0.00 0.00 -0.02 0.00 0.00 33.50 32.33 1rov n PRO 175 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1rov n LEU 176 N -1.24 1.07 0.08 2.45 4.32 -0.24 0.10 117.00 123.54 1rov n LEU 176 Ca 0.04 -0.75 -0.12 0.00 -0.02 0.00 0.00 56.01 55.16 1rov n LEU 176 Cb 0.06 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 41.79 1rov n LEU 176 CO 0.06 0.22 0.82 0.58 -1.22 0.00 0.00 177.39 177.84 1rov h VAL 177 N 0.89 0.82 -0.15 4.08 2.07 -1.17 -0.93 116.25 121.86 1rov h VAL 177 Ca 0.00 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 1rov h VAL 177 Cb 0.29 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1rov h VAL 177 CO 0.00 0.00 -0.24 0.11 0.02 0.00 0.00 177.57 177.46 1rov h LYS 178 N -0.17 0.26 -0.13 1.57 1.57 -1.85 -2.18 116.57 115.64 1rov h LYS 178 Ca 0.01 -0.08 -0.11 0.00 -1.87 0.00 0.00 60.65 58.60 1rov h LYS 178 Cb 0.17 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1rov h LYS 178 CO -0.03 0.50 -0.39 1.88 -0.57 0.00 0.00 179.45 180.84 1rov h TYR 179 N 0.24 0.32 -0.01 -1.35 0.05 -1.68 -0.29 116.97 114.25 1rov h TYR 179 Ca 0.04 -0.08 -0.00 0.00 0.05 0.00 0.00 58.73 58.73 1rov h TYR 179 Cb 0.56 -0.07 -0.00 0.00 1.01 0.00 0.00 36.73 38.23 1rov h TYR 179 CO 0.01 0.63 0.00 -0.09 -1.05 0.00 0.00 178.16 177.66 1rov h ARG 180 N 0.23 0.02 -0.22 4.88 2.43 -0.85 -2.28 114.38 118.60 1rov h ARG 180 Ca 0.02 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 1rov h ARG 180 Cb 0.79 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.33 1rov h ARG 180 CO 0.06 0.31 0.04 0.93 -1.51 0.00 0.00 179.97 179.80 1rov h GLU 181 N -0.26 0.36 -0.64 0.20 5.08 -1.22 -2.97 114.58 115.12 1rov h GLU 181 Ca 0.00 -0.09 0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1rov h GLU 181 Cb 0.30 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 1rov h GLU 181 CO 0.00 0.50 0.42 1.49 -1.00 0.00 0.00 179.01 180.42 1rov h GLU 182 N 0.16 0.76 -0.64 2.33 4.81 -1.10 -0.86 114.58 120.04 1rov h GLU 182 Ca 0.07 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.17 1rov h GLU 182 Cb 0.31 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 1rov h GLU 182 CO 0.00 0.50 0.09 1.49 -0.73 0.00 0.00 179.01 180.36 1rov h GLU 183 N 0.78 1.07 -0.42 1.92 4.57 -1.32 0.85 114.58 122.04 1rov h GLU 183 Ca 0.25 -0.30 -0.11 0.00 -1.18 0.00 0.00 59.36 58.02 1rov h GLU 183 Cb 0.04 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.50 1rov h GLU 183 CO -0.07 1.00 -0.19 -0.07 -1.18 0.00 0.00 179.01 178.51 1rov h LEU 184 N 0.99 0.88 -0.79 1.64 4.07 -1.32 0.32 115.31 121.09 1rov h LEU 184 Ca 0.19 -0.40 0.07 0.00 0.08 0.00 0.00 57.88 57.83 1rov h LEU 184 Cb 0.46 -0.24 -0.06 0.00 1.08 0.00 0.00 40.66 41.89 1rov h LEU 184 CO 0.02 1.08 0.46 -0.74 -1.08 0.00 0.00 178.44 178.18 1rov h HIS 185 N 0.68 0.85 -0.37 1.13 2.76 -0.52 -0.40 115.15 119.29 1rov h HIS 185 Ca 0.09 0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 58.18 1rov h HIS 185 Cb 0.74 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 29.43 1rov h HIS 185 CO 0.06 0.40 -0.19 -0.91 -1.30 0.00 0.00 177.93 175.98 1rov h ASN 186 N 0.82 0.80 -0.46 3.26 2.35 -0.21 -2.19 115.58 119.96 1rov h ASN 186 Ca 0.36 -0.41 -0.02 0.00 -0.55 0.00 0.00 56.30 55.68 1rov h ASN 186 Cb 0.24 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 1rov h ASN 186 CO -0.20 1.04 0.24 -0.07 -1.65 0.00 0.00 177.43 176.79 1rov h LEU 187 N 0.57 0.61 -0.47 1.61 -0.00 -0.65 -3.08 115.31 113.89 1rov h LEU 187 Ca 0.08 -0.05 -0.17 0.00 -0.00 0.00 0.00 57.88 57.74 1rov h LEU 187 Cb 0.74 -0.15 -0.00 0.00 -0.00 0.00 0.00 40.66 41.24 1rov h LEU 187 CO 0.06 0.52 -0.61 0.03 -0.00 0.00 0.00 178.44 178.44 1rov h ARG 188 N 0.68 0.52 0.00 1.13 3.08 -0.75 -0.16 114.38 118.89 1rov h ARG 188 Ca 0.17 -0.36 0.00 0.00 0.07 0.00 0.00 59.98 59.86 1rov h ARG 188 Cb 0.07 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1rov h ARG 188 CO -0.02 0.97 0.00 0.41 -1.07 0.00 0.00 179.97 180.26 1rov n GLY 189 N 0.35 0.07 7.00 0.04 0.00 -0.85 -4.49 105.19 107.31 1rov n GLY 189 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1rov n GLY 189 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1rov n ASP 190 N -0.84 -4.47 -2.46 1.61 2.03 -1.26 -4.63 116.55 106.53 1rov n ASP 190 Ca 0.00 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.30 1rov n ASP 190 Cb 0.42 0.00 0.06 0.00 -0.72 0.00 0.00 41.12 40.88 1rov n ASP 190 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1rov n GLY 191 N 0.00 1.65 3.23 0.27 0.00 -1.26 -4.79 105.19 104.30 1rov n GLY 191 Ca 0.00 -0.67 -0.13 0.00 0.00 0.00 0.00 46.02 45.22 1rov n GLY 191 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rov s THR 192 N -1.79 0.64 0.00 2.61 -4.23 -1.26 -5.13 115.64 106.48 1rov s THR 192 Ca 0.20 -1.97 0.00 0.00 -1.18 0.00 0.00 61.69 58.74 1rov s THR 192 Cb 0.34 -2.09 0.00 0.00 1.34 0.00 0.00 72.50 72.09 1rov s THR 192 CO -0.08 -0.50 0.00 0.61 -0.54 0.00 0.00 174.62 174.11 1rov n GLY 193 N -0.22 2.26 3.72 3.99 0.00 -1.26 -4.96 105.19 108.71 1rov n GLY 193 Ca -0.07 -1.73 -0.42 0.00 0.00 0.00 0.00 46.02 43.80 1rov n GLY 193 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1rov s GLU 194 N -4.03 4.57 0.09 1.61 2.12 -1.22 -3.98 118.70 117.85 1rov s GLU 194 Ca 0.00 1.50 -0.30 0.00 0.36 0.00 0.00 54.97 56.53 1rov s GLU 194 Cb 0.00 -3.42 -0.05 0.00 0.26 0.00 0.00 34.13 30.92 1rov s GLU 194 CO 0.00 -0.03 0.98 1.03 -0.54 0.00 0.00 175.26 176.71 1rov s ARG 195 N 0.76 4.65 0.24 4.30 1.81 -1.26 -4.79 118.95 124.65 1rov s ARG 195 Ca 0.52 1.48 0.07 0.00 -1.72 0.00 0.00 55.73 56.08 1rov s ARG 195 Cb -0.23 -3.39 -0.04 0.00 -0.45 0.00 0.00 34.95 30.84 1rov s ARG 195 CO 0.29 0.13 0.16 0.15 -0.68 0.00 0.00 175.30 175.34 1rov s LYS 196 N 0.23 2.83 0.26 3.54 -0.14 -1.26 -4.68 119.74 120.52 1rov s LYS 196 Ca 0.49 -1.07 -0.03 0.00 -1.36 0.00 0.00 55.97 54.00 1rov s LYS 196 Cb -0.23 -2.52 0.52 0.00 -1.68 0.00 0.00 37.83 33.91 1rov s LYS 196 CO 0.30 0.41 1.71 1.49 -0.76 0.00 0.00 175.35 178.50 1rov h GLU 197 N 1.70 0.40 0.00 1.68 4.81 -1.96 -1.96 114.58 119.24 1rov h GLU 197 Ca -0.48 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1rov h GLU 197 Cb 1.23 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1rov h GLU 197 CO 0.61 0.26 0.00 -2.67 -0.73 0.00 0.00 179.01 176.48 1rov n TRP 198 N -5.04 0.15 -2.32 0.92 4.27 -1.26 -4.44 117.44 109.72 1rov n TRP 198 Ca 0.16 0.05 -0.31 0.00 -3.89 0.00 0.00 57.50 53.51 1rov n TRP 198 Cb 0.47 -0.58 -0.02 0.00 -1.36 0.00 0.00 31.31 29.83 1rov n TRP 198 CO 0.00 0.00 0.00 -1.21 -2.29 0.00 0.00 177.69 174.19 1rov s GLU 199 N -3.03 3.77 -0.56 -2.67 2.02 -0.74 -4.87 118.70 112.62 1rov s GLU 199 Ca 0.11 0.74 0.06 0.00 0.02 0.00 0.00 54.97 55.91 1rov s GLU 199 Cb 0.15 -2.18 0.23 0.00 0.10 0.00 0.00 34.13 32.43 1rov s GLU 199 CO 0.46 -0.33 0.61 0.54 0.02 0.00 0.00 175.26 176.57 1rov n ARG 200 N -1.98 1.71 -3.81 1.61 1.74 -1.26 -1.96 116.66 112.70 1rov n ARG 200 Ca 0.05 -4.11 -0.26 0.00 -0.77 0.00 0.00 57.85 52.77 1rov n ARG 200 Cb 0.54 -1.92 -0.17 0.00 -1.02 0.00 0.00 32.46 29.89 1rov n ARG 200 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1rov s ILE 201 N -1.73 0.68 -0.21 0.55 1.01 -1.26 -4.39 121.20 115.85 1rov s ILE 201 Ca 0.36 -0.28 -0.09 0.00 0.00 0.00 0.00 60.65 60.64 1rov s ILE 201 Cb 0.12 -0.91 -0.04 0.00 0.01 0.00 0.00 42.46 41.64 1rov s ILE 201 CO -0.08 0.13 0.10 -0.31 0.00 0.00 0.00 174.94 174.78 1rov s TYR 202 N 1.83 3.28 0.20 3.97 1.51 -0.07 -4.66 117.35 123.40 1rov s TYR 202 Ca 0.03 0.12 -0.23 0.00 -1.01 0.00 0.00 57.07 55.97 1rov s TYR 202 Cb -0.14 -2.15 0.06 0.00 -0.11 0.00 0.00 41.96 39.62 1rov s TYR 202 CO -0.07 0.11 0.95 0.34 -1.11 0.00 0.00 175.55 175.78 1rov s ASP 203 N 0.64 -0.10 0.12 2.29 -1.08 -1.26 -4.50 116.67 112.79 1rov s ASP 203 Ca 0.05 -0.59 0.06 0.00 -0.52 0.00 0.00 52.55 51.55 1rov s ASP 203 Cb -0.13 0.55 -0.04 0.00 -1.46 0.00 0.00 42.92 41.84 1rov s ASP 203 CO 0.01 -1.05 0.01 -0.31 0.52 0.00 0.00 175.17 174.36 1rov s TYR 204 N -2.87 2.96 0.22 -5.34 1.51 -1.26 -0.44 117.35 112.13 1rov s TYR 204 Ca 0.16 -0.06 -0.17 0.00 -1.01 0.00 0.00 57.07 55.99 1rov s TYR 204 Cb -0.02 -1.49 0.02 0.00 -0.11 0.00 0.00 41.96 40.36 1rov s TYR 204 CO 0.05 0.49 0.53 0.34 -1.11 0.00 0.00 175.55 175.85 1rov s ASP 205 N -2.58 -0.21 0.41 2.29 -1.08 -0.83 -4.48 116.67 110.19 1rov s ASP 205 Ca 0.27 -0.61 0.03 0.00 -0.52 0.00 0.00 52.55 51.71 1rov s ASP 205 Cb -0.11 0.59 -0.00 0.00 -1.46 0.00 0.00 42.92 41.94 1rov s ASP 205 CO 0.19 -1.10 0.60 -0.69 0.52 0.00 0.00 175.17 174.68 1rov s VAL 206 N -3.92 3.99 -1.29 1.11 1.01 -1.26 -0.31 120.40 119.73 1rov s VAL 206 Ca 0.13 -0.70 -0.16 0.00 0.00 0.00 0.00 61.98 61.24 1rov s VAL 206 Cb -0.01 -3.44 -0.00 0.00 0.00 0.00 0.00 36.38 32.92 1rov s VAL 206 CO 0.01 -0.25 2.11 -1.22 0.00 0.00 0.00 175.10 175.75 1rov n TYR 207 N -1.92 3.25 -1.14 5.22 4.02 -0.81 -4.61 117.16 121.18 1rov n TYR 207 Ca 0.01 -2.67 -0.07 0.00 -0.01 0.00 0.00 57.90 55.16 1rov n TYR 207 Cb 0.58 -2.38 0.26 0.00 -0.02 0.00 0.00 39.34 37.78 1rov n TYR 207 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 1rov n ASN 208 N 6.85 4.17 -0.01 7.72 2.04 -1.26 -2.10 115.26 132.67 1rov n ASN 208 Ca 0.51 -3.35 0.00 0.00 -0.44 0.00 0.00 54.58 51.30 1rov n ASN 208 Cb 0.40 -0.72 0.00 0.00 -2.53 0.00 0.00 39.78 36.93 1rov n ASN 208 CO 0.00 0.00 0.00 -0.90 -0.44 0.00 0.00 177.26 175.92 1rov n ASP 209 N -0.52 1.21 0.06 0.53 3.85 -1.26 -1.53 116.55 118.88 1rov n ASP 209 Ca 0.41 -1.64 0.00 0.00 -0.71 0.00 0.00 54.79 52.85 1rov n ASP 209 Cb 1.33 -0.01 -0.06 0.00 -1.35 0.00 0.00 41.12 41.03 1rov n ASP 209 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.20 176.12 1rov h LEU 210 N 0.00 0.00-10.53 -2.12 4.07 -1.87 -3.46 115.31 101.39 1rov h LEU 210 Ca 0.00 0.00 -0.47 0.00 0.08 0.00 0.00 57.88 57.49 1rov h LEU 210 Cb 0.72 0.00 0.08 0.00 1.08 0.00 0.00 40.66 42.53 1rov h LEU 210 CO 0.00 0.57 0.27 -0.83 -1.08 0.00 0.00 178.44 177.37 1rov s GLY 211 N -4.71 1.65 -0.45 0.83 0.00 -1.26 -0.77 107.32 102.60 1rov s GLY 211 Ca -0.01 -0.76 0.08 0.00 0.00 0.00 0.00 44.72 44.03 1rov s GLY 211 CO 0.80 -0.37 0.59 1.34 0.00 0.00 0.00 173.10 175.45 1rov n ASP 212 N -2.92 1.11 0.23 1.64 -0.08 -0.23 -4.81 116.55 111.49 1rov n ASP 212 Ca 0.07 -2.89 0.11 0.00 -1.51 0.00 0.00 54.79 50.56 1rov n ASP 212 Cb 0.59 -0.65 0.51 0.00 2.34 0.00 0.00 41.12 43.92 1rov n ASP 212 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1rov h PRO 213 N 3.99 0.00 -0.97 -0.67 0.13 -1.74 0.19 132.00 132.93 1rov h PRO 213 Ca 0.10 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.28 1rov h PRO 213 Cb 0.83 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.90 1rov h PRO 213 CO 0.56 0.20 0.63 -0.44 -0.23 0.00 0.00 178.00 178.72 1rov h ASP 214 N 0.00 1.02 0.00 1.44 5.19 -1.95 -1.54 116.42 120.57 1rov h ASP 214 Ca -0.00 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1rov h ASP 214 Cb 0.67 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.96 1rov h ASP 214 CO 0.03 0.68 0.00 1.17 -3.12 0.00 0.00 179.24 177.99 1rov n LYS 215 N -4.47 0.66 0.00 3.56 4.81 0.65 -4.94 118.16 118.43 1rov n LYS 215 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 1rov n LYS 215 Cb 0.14 -1.49 0.00 0.00 0.02 0.00 0.00 35.03 33.71 1rov n LYS 215 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1rov n GLY 216 N 0.31 4.02 0.19 3.14 0.00 -0.58 -4.91 105.19 107.36 1rov n GLY 216 Ca 0.15 -1.54 0.15 0.00 0.00 0.00 0.00 46.02 44.78 1rov n GLY 216 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1rov n GLU 217 N -1.53 1.14 0.27 1.61 4.07 -1.26 -1.51 120.64 123.43 1rov n GLU 217 Ca 0.00 -0.37 0.16 0.00 -0.06 0.00 0.00 57.16 56.89 1rov n GLU 217 Cb 0.00 -1.49 0.70 0.00 -0.06 0.00 0.00 31.44 30.59 1rov n GLU 217 CO 0.00 0.00 0.00 -0.97 -0.06 0.00 0.00 177.13 176.10 1rov h ASN 218 N 0.91 0.00 -0.01 4.31 -0.73 -1.93 -3.13 115.58 114.99 1rov h ASN 218 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1rov h ASN 218 Cb 0.25 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.84 1rov h ASN 218 CO 0.00 0.04 -0.37 1.41 -0.37 0.00 0.00 177.43 178.14 1rov n HIS 219 N -3.17 0.00 -2.13 0.67 8.25 -0.57 -4.98 115.22 113.29 1rov n HIS 219 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.08 1rov n HIS 219 Cb 0.30 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.41 1rov n HIS 219 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1rov s ALA 220 N -2.01 3.01 0.05 -1.41 0.00 -1.19 -1.06 121.76 119.15 1rov s ALA 220 Ca 0.14 1.07 0.01 0.00 0.00 0.00 0.00 51.96 53.18 1rov s ALA 220 Cb 0.14 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 1rov s ALA 220 CO 0.44 -0.82 -0.06 1.03 0.00 0.00 0.00 175.76 176.35 1rov s ARG 221 N -2.62 0.56 0.51 0.00 0.52 -1.26 -4.89 118.95 111.76 1rov s ARG 221 Ca 0.63 -0.91 -0.19 0.00 -0.52 0.00 0.00 55.73 54.75 1rov s ARG 221 Cb -0.33 -0.14 -0.08 0.00 0.52 0.00 0.00 34.95 34.93 1rov s ARG 221 CO 0.40 -0.00 1.02 -1.25 0.02 0.00 0.00 175.30 175.49 1rov s PRO 222 N -2.31 3.77 0.21 3.54 0.04 -1.26 -4.76 135.00 134.23 1rov s PRO 222 Ca -0.05 1.24 -0.30 0.00 0.04 0.00 0.00 61.00 61.94 1rov s PRO 222 Cb -0.05 -2.10 -0.08 0.00 0.04 0.00 0.00 34.50 32.31 1rov s PRO 222 CO -0.02 -0.44 1.08 0.54 0.04 0.00 0.00 177.00 178.20 1rov s VAL 223 N -2.19 3.79 -0.23 -0.36 0.11 -1.26 -4.89 120.40 115.36 1rov s VAL 223 Ca 0.65 1.64 -0.00 0.00 -2.93 0.00 0.00 61.98 61.34 1rov s VAL 223 Cb -0.14 -4.05 0.03 0.00 -1.53 0.00 0.00 36.38 30.69 1rov s VAL 223 CO 0.24 0.33 -0.11 -0.76 -3.33 0.00 0.00 175.10 171.47 1rov s LEU 224 N -0.76 2.96 0.00 2.54 1.02 -0.89 -4.80 118.68 118.75 1rov s LEU 224 Ca 0.47 -0.91 0.00 0.00 0.02 0.00 0.00 54.13 53.71 1rov s LEU 224 Cb -0.30 -1.59 0.00 0.00 0.02 0.00 0.00 46.19 44.32 1rov s LEU 224 CO 0.36 -0.10 0.00 0.61 0.02 0.00 0.00 176.35 177.24 1rov n GLY 225 N 4.61 2.75 2.26 -3.19 0.00 0.32 -1.93 105.19 110.02 1rov n GLY 225 Ca -0.17 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 43.97 1rov n GLY 225 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rov n GLY 226 N 0.52 0.48 3.26 -0.02 0.00 -1.26 -4.88 105.19 103.29 1rov n GLY 226 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1rov n GLY 226 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rov s ASN 227 N -2.10 0.09 0.07 1.61 2.20 -1.26 -5.08 114.94 110.46 1rov s ASN 227 Ca 0.00 -0.77 0.25 0.00 -0.94 0.00 0.00 52.86 51.40 1rov s ASN 227 Cb 0.00 0.38 0.49 0.00 -2.00 0.00 0.00 41.25 40.12 1rov s ASN 227 CO 0.00 -0.80 1.42 0.47 -2.94 0.00 0.00 177.10 175.25 1rov n ASP 228 N -0.13 0.57 -0.06 3.54 8.00 -1.26 -3.04 116.55 124.16 1rov n ASP 228 Ca -0.11 0.03 -0.12 0.00 0.71 0.00 0.00 54.79 55.29 1rov n ASP 228 Cb 0.63 0.11 -0.11 0.00 -0.02 0.00 0.00 41.12 41.73 1rov n ASP 228 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1rov h THR 229 N 0.00 1.57 -2.26 -3.53 2.02 -1.98 -3.41 112.91 105.32 1rov h THR 229 Ca 0.00 -2.15 -0.61 0.00 0.77 0.00 0.00 66.41 64.42 1rov h THR 229 Cb 0.63 2.95 -0.41 0.00 -1.74 0.00 0.00 68.15 69.58 1rov h THR 229 CO 0.00 0.53 -0.50 0.49 0.37 0.00 0.00 175.52 176.41 1rov n PHE 230 N -4.64 3.72 -1.81 3.16 3.72 -1.26 -4.59 117.46 115.76 1rov n PHE 230 Ca -0.09 -3.99 -0.34 0.00 -0.05 0.00 0.00 57.45 52.98 1rov n PHE 230 Cb 0.42 -0.59 0.05 0.00 -0.94 0.00 0.00 39.48 38.42 1rov n PHE 230 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1rov s PRO 231 N -2.90 2.78 -0.07 -1.08 0.04 -1.17 0.12 135.00 132.71 1rov s PRO 231 Ca 0.43 1.58 -0.30 0.00 0.04 0.00 0.00 61.00 62.75 1rov s PRO 231 Cb 0.19 -1.93 0.12 0.00 0.04 0.00 0.00 34.50 32.92 1rov s PRO 231 CO -0.05 -1.30 0.98 -0.47 0.04 0.00 0.00 177.00 176.19 1rov s TYR 232 N -2.04 -0.30 0.83 0.56 5.04 -1.26 -4.54 117.35 115.64 1rov s TYR 232 Ca 0.71 0.25 -0.11 0.00 -2.44 0.00 0.00 57.07 55.49 1rov s TYR 232 Cb -0.25 0.52 0.09 0.00 0.35 0.00 0.00 41.96 42.67 1rov s TYR 232 CO 0.38 -0.43 1.10 -2.14 -1.34 0.00 0.00 175.55 173.12 1rov s PRO 233 N -2.60 1.81 0.66 4.97 0.02 -1.26 -4.62 135.00 133.99 1rov s PRO 233 Ca 0.05 1.11 -0.09 0.00 0.02 0.00 0.00 61.00 62.10 1rov s PRO 233 Cb -0.01 -1.85 0.02 0.00 0.02 0.00 0.00 34.50 32.68 1rov s PRO 233 CO -0.06 -1.94 1.01 1.03 -0.33 0.00 0.00 177.00 176.71 1rov s ARG 234 N -4.88 2.73 0.44 5.54 1.81 -0.72 -4.75 118.95 119.12 1rov s ARG 234 Ca 0.62 0.15 0.03 0.00 -1.72 0.00 0.00 55.73 54.81 1rov s ARG 234 Cb -0.18 -2.14 -0.02 0.00 -0.45 0.00 0.00 34.95 32.16 1rov s ARG 234 CO 0.57 -0.96 0.10 -0.98 -0.68 0.00 0.00 175.30 173.34 1rov s ARG 235 N -5.21 2.01 0.11 3.54 1.04 0.57 -4.18 118.95 116.83 1rov s ARG 235 Ca 0.57 -2.24 -0.31 0.00 -1.04 0.00 0.00 55.73 52.70 1rov s ARG 235 Cb -0.11 -0.84 -0.09 0.00 -2.04 0.00 0.00 34.95 31.88 1rov s ARG 235 CO 0.48 -0.46 1.55 0.20 -0.04 0.00 0.00 175.30 177.03 1rov s GLY 236 N -3.68 1.65 0.30 3.88 0.00 -1.26 -1.96 107.32 106.25 1rov s GLY 236 Ca 0.19 1.23 -0.29 0.00 0.00 0.00 0.00 44.72 45.85 1rov s GLY 236 CO 0.12 2.66 1.22 -1.60 0.00 0.00 0.00 173.10 175.49 1rov s ARG 237 N 1.74 4.48 -0.06 2.90 3.52 0.42 -4.70 118.95 127.26 1rov s ARG 237 Ca 0.70 2.03 0.04 0.00 -0.13 0.00 0.00 55.73 58.37 1rov s ARG 237 Cb -0.40 -3.13 -0.00 0.00 -1.56 0.00 0.00 34.95 29.86 1rov s ARG 237 CO 0.31 -0.02 -0.18 -0.08 -0.81 0.00 0.00 175.30 174.52 1rov s THR 238 N -1.06 1.54 -0.72 4.11 -1.32 -1.26 -4.78 115.64 112.15 1rov s THR 238 Ca 0.48 -0.76 0.02 0.00 -1.21 0.00 0.00 61.69 60.22 1rov s THR 238 Cb -0.36 -1.33 0.35 0.00 -1.51 0.00 0.00 72.50 69.65 1rov s THR 238 CO 0.47 0.44 1.41 0.61 -2.21 0.00 0.00 174.62 175.34 1rov n GLY 239 N 3.27 5.83 3.80 6.08 0.00 -1.26 -4.79 105.19 118.12 1rov n GLY 239 Ca -0.19 -2.68 -0.29 0.00 0.00 0.00 0.00 46.02 42.86 1rov n GLY 239 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rov s ARG 240 N -3.83 0.69 0.43 1.61 0.52 -1.26 -3.43 118.95 113.68 1rov s ARG 240 Ca 0.46 0.06 -0.21 0.00 -0.52 0.00 0.00 55.73 55.52 1rov s ARG 240 Cb 0.31 -1.81 -0.11 0.00 0.52 0.00 0.00 34.95 33.86 1rov s ARG 240 CO -0.19 -2.46 0.95 -1.59 0.02 0.00 0.00 175.30 172.03 1rov s LYS 241 N -5.46 4.21 0.28 3.54 -2.85 -1.26 -4.74 119.74 113.46 1rov s LYS 241 Ca 0.67 1.10 -0.29 0.00 -1.00 0.00 0.00 55.97 56.45 1rov s LYS 241 Cb -0.11 -2.18 -0.10 0.00 -2.06 0.00 0.00 37.83 33.38 1rov s LYS 241 CO 0.53 -0.04 1.18 -1.25 0.10 0.00 0.00 175.35 175.88 1rov s PRO 242 N -3.22 4.53 0.44 1.78 0.04 -1.26 -0.11 135.00 137.20 1rov s PRO 242 Ca 0.62 1.95 -0.16 0.00 0.04 0.00 0.00 61.00 63.45 1rov s PRO 242 Cb -0.09 -3.16 -0.13 0.00 0.04 0.00 0.00 34.50 31.16 1rov s PRO 242 CO 0.14 0.04 -0.11 2.41 0.04 0.00 0.00 177.00 179.52 1rov n THR 243 N 1.27 0.01 -0.03 1.26 -1.04 -0.87 -4.48 114.28 110.39 1rov n THR 243 Ca 0.00 -0.45 -0.13 0.00 -2.04 0.00 0.00 64.05 61.43 1rov n THR 243 Cb 0.44 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.85 1rov n THR 243 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 1rov h ARG 244 N 0.00 0.11 0.00 -2.82 2.47 -1.94 -3.31 114.38 108.89 1rov h ARG 244 Ca -0.37 -0.07 -0.04 0.00 -1.26 0.00 0.00 59.98 58.24 1rov h ARG 244 Cb 1.29 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.62 1rov h ARG 244 CO 0.37 0.66 -0.21 0.87 0.56 0.00 0.00 179.97 182.23 1rov h LYS 245 N -0.42 0.00 -2.66 0.04 1.57 -1.93 -3.43 116.57 109.73 1rov h LYS 245 Ca 0.00 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.56 1rov h LYS 245 Cb 0.66 0.00 -0.33 0.00 0.08 0.00 0.00 32.23 32.64 1rov h LYS 245 CO 0.02 0.21 -0.54 0.34 -0.57 0.00 0.00 179.45 178.91 1rov s ASP 246 N -6.16 0.53 0.00 0.86 3.68 -1.25 -5.02 116.67 109.31 1rov s ASP 246 Ca 0.02 0.40 0.25 0.00 2.13 0.00 0.00 52.55 55.35 1rov s ASP 246 Cb 0.09 0.71 1.50 0.00 -1.45 0.00 0.00 42.92 43.77 1rov s ASP 246 CO 0.64 -0.26 1.91 -0.81 0.13 0.00 0.00 175.17 176.78 1rov n PRO 247 N 5.35 0.91 0.00 4.34 -0.04 -1.26 -2.70 135.00 141.60 1rov n PRO 247 Ca -0.06 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.51 1rov n PRO 247 Cb 0.50 -1.43 -0.01 0.00 -0.04 0.00 0.00 33.50 32.52 1rov n PRO 247 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1rov n ASN 248 N -0.93 1.95 -4.88 3.54 4.13 -1.26 -4.90 115.26 112.91 1rov n ASN 248 Ca 0.19 -1.47 -0.24 0.00 1.68 0.00 0.00 54.58 54.73 1rov n ASN 248 Cb 0.09 0.48 -0.04 0.00 -1.54 0.00 0.00 39.78 38.77 1rov n ASN 248 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1rov s SER 249 N -2.36 5.91 -0.14 6.41 0.01 -1.10 -4.78 113.70 117.64 1rov s SER 249 Ca 0.17 -0.03 -0.05 0.00 1.31 0.00 0.00 55.95 57.35 1rov s SER 249 Cb 0.17 -1.65 -0.04 0.00 0.21 0.00 0.00 66.02 64.72 1rov s SER 249 CO 0.54 0.01 0.02 -0.70 0.41 0.00 0.00 173.24 173.52 1rov s GLU 250 N -3.49 3.56 0.47 12.44 2.12 -0.58 -2.05 118.70 131.17 1rov s GLU 250 Ca 0.33 -0.39 -0.21 0.00 0.36 0.00 0.00 54.97 55.06 1rov s GLU 250 Cb -0.10 -3.01 -0.12 0.00 0.26 0.00 0.00 34.13 31.17 1rov s GLU 250 CO 0.26 0.43 0.49 0.43 -0.54 0.00 0.00 175.26 176.33 1rov n SER 251 N 3.00 -1.15 -4.86 -1.70 7.64 0.84 -4.58 113.62 112.81 1rov n SER 251 Ca -0.18 0.84 -0.31 0.00 1.01 0.00 0.00 58.87 60.23 1rov n SER 251 Cb 0.53 -1.11 -0.00 0.00 -1.01 0.00 0.00 64.21 62.62 1rov n SER 251 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1rov s ARG 252 N -1.67 3.71 0.02 1.43 0.52 -1.26 -4.86 118.95 116.84 1rov s ARG 252 Ca 0.64 0.81 -0.07 0.00 -0.52 0.00 0.00 55.73 56.58 1rov s ARG 252 Cb -0.55 -2.10 -0.00 0.00 0.52 0.00 0.00 34.95 32.82 1rov s ARG 252 CO 0.58 -0.47 0.14 0.45 0.02 0.00 0.00 175.30 176.02 1rov s SER 253 N -3.83 0.07 0.03 0.23 0.15 -1.26 -5.00 113.70 104.09 1rov s SER 253 Ca 0.56 -0.35 0.27 0.00 0.70 0.00 0.00 55.95 57.12 1rov s SER 253 Cb -0.11 0.24 1.11 0.00 -1.71 0.00 0.00 66.02 65.55 1rov s SER 253 CO 0.47 -0.47 1.85 0.59 1.20 0.00 0.00 173.24 176.88 1rov n ASN 254 N 1.00 0.10 -3.98 5.45 3.02 -1.26 -4.62 115.26 114.97 1rov n ASN 254 Ca -0.20 0.51 -0.31 0.00 -0.03 0.00 0.00 54.58 54.55 1rov n ASN 254 Cb 0.57 -0.54 -0.15 0.00 -0.61 0.00 0.00 39.78 39.05 1rov n ASN 254 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1rov s ASP 255 N -3.19 4.13 -0.22 6.41 1.01 -1.26 -5.08 116.67 118.47 1rov s ASP 255 Ca 0.13 -1.36 -0.10 0.00 0.71 0.00 0.00 52.55 51.93 1rov s ASP 255 Cb 0.17 -1.32 -0.05 0.00 1.01 0.00 0.00 42.92 42.73 1rov s ASP 255 CO 0.50 -0.24 0.14 0.68 0.21 0.00 0.00 175.17 176.46 1rov s VAL 256 N 1.27 5.35 0.33 -1.27 -7.23 -1.26 -5.05 120.40 112.54 1rov s VAL 256 Ca -0.04 0.17 -0.28 0.00 -1.81 0.00 0.00 61.98 60.02 1rov s VAL 256 Cb -0.19 -3.47 -0.09 0.00 0.56 0.00 0.00 36.38 33.18 1rov s VAL 256 CO -0.07 0.39 1.15 -0.47 -0.31 0.00 0.00 175.10 175.79 1rov s TYR 257 N 0.75 3.34 0.02 2.82 6.14 -1.26 -5.01 117.35 124.15 1rov s TYR 257 Ca 0.08 1.61 -0.06 0.00 0.64 0.00 0.00 57.07 59.34 1rov s TYR 257 Cb -0.12 -3.36 -0.01 0.00 0.42 0.00 0.00 41.96 38.88 1rov s TYR 257 CO 0.02 -0.96 0.11 -0.48 0.64 0.00 0.00 175.55 174.88 1rov s LEU 258 N -1.85 1.72 0.26 6.97 2.34 -1.26 -4.84 118.68 122.02 1rov s LEU 258 Ca 0.49 -0.41 -0.31 0.00 0.06 0.00 0.00 54.13 53.97 1rov s LEU 258 Cb -0.32 0.61 -0.13 0.00 -0.56 0.00 0.00 46.19 45.79 1rov s LEU 258 CO 0.41 -0.45 1.43 -2.65 -1.06 0.00 0.00 176.35 174.03 1rov n PRO 259 N 1.06 2.17 -1.17 1.48 -0.02 -1.26 -4.82 135.00 132.44 1rov n PRO 259 Ca -0.21 0.77 -0.31 0.00 -2.02 0.00 0.00 63.50 61.74 1rov n PRO 259 Cb 0.57 -2.44 0.12 0.00 -0.02 0.00 0.00 33.50 31.73 1rov n PRO 259 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1rov s ARG 260 N -0.59 1.75 0.00 -0.52 6.06 -0.83 -0.10 118.95 124.73 1rov s ARG 260 Ca 0.66 1.10 0.00 0.00 -2.50 0.00 0.00 55.73 54.99 1rov s ARG 260 Cb -0.61 -1.84 0.00 0.00 0.06 0.00 0.00 34.95 32.55 1rov s ARG 260 CO 0.51 -1.98 0.00 -0.25 -2.50 0.00 0.00 175.30 171.08 1rov n ASP 261 N -3.74 0.00 0.04 -2.12 9.92 -1.26 -4.51 116.55 114.88 1rov n ASP 261 Ca 0.09 0.00 0.10 0.00 -0.53 0.00 0.00 54.79 54.44 1rov n ASP 261 Cb 0.54 0.00 0.40 0.00 -0.64 0.00 0.00 41.12 41.42 1rov n ASP 261 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1rov n GLU 262 N 0.00 0.07 -3.40 -1.24 -0.58 0.86 -4.73 120.64 111.62 1rov n GLU 262 Ca 0.00 0.26 -0.42 0.00 -0.42 0.00 0.00 57.16 56.58 1rov n GLU 262 Cb 0.00 -1.62 -0.09 0.00 -0.57 0.00 0.00 31.44 29.16 1rov n GLU 262 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1rov s ALA 263 N -3.09 3.46 0.21 0.62 0.00 -1.26 -4.17 121.76 117.54 1rov s ALA 263 Ca 0.07 -1.49 -0.22 0.00 0.00 0.00 0.00 51.96 50.32 1rov s ALA 263 Cb 0.11 -2.92 -0.08 0.00 0.00 0.00 0.00 23.12 20.23 1rov s ALA 263 CO 0.35 -1.38 0.76 -0.06 0.00 0.00 0.00 175.76 175.43 1rov s PHE 264 N 1.94 3.74 0.56 0.00 0.40 -1.26 -5.07 117.98 118.29 1rov s PHE 264 Ca 0.09 1.51 0.09 0.00 -0.60 0.00 0.00 56.93 58.02 1rov s PHE 264 Cb -0.18 -2.70 0.07 0.00 0.51 0.00 0.00 43.02 40.73 1rov s PHE 264 CO 0.12 0.38 0.70 0.20 0.70 0.00 0.00 175.22 177.32 1rov s GLY 265 N -1.48 1.88 -0.02 4.36 0.00 -1.26 -5.09 107.32 105.72 1rov s GLY 265 Ca 0.41 -1.93 -0.15 0.00 0.00 0.00 0.00 44.72 43.05 1rov s GLY 265 CO 0.23 -1.74 0.31 0.30 0.00 0.00 0.00 173.10 172.20 1rov s HIS 266 N -2.69 -0.18 -0.06 1.90 0.09 -1.08 -5.06 115.29 108.21 1rov s HIS 266 Ca 0.55 0.28 0.12 0.00 -0.00 0.00 0.00 55.06 56.01 1rov s HIS 266 Cb -0.05 0.10 -0.04 0.00 -0.00 0.00 0.00 32.58 32.59 1rov s HIS 266 CO 0.35 -0.39 1.38 -0.07 -0.00 0.00 0.00 174.74 176.01 1rov h LEU 267 N 3.89 0.00 -9.05 0.89 -0.00 -1.86 -3.40 115.31 105.77 1rov h LEU 267 Ca -0.30 0.00 -0.66 0.00 -0.00 0.00 0.00 57.88 56.92 1rov h LEU 267 Cb 1.18 0.00 -0.19 0.00 -0.00 0.00 0.00 40.66 41.65 1rov h LEU 267 CO 0.40 0.68 -0.66 -0.54 -0.00 0.00 0.00 178.44 178.32 1rov s LYS 268 N -2.87 3.20 0.09 1.13 1.02 -1.26 -4.86 119.74 116.18 1rov s LYS 268 Ca 0.03 -0.49 -0.31 0.00 0.02 0.00 0.00 55.97 55.21 1rov s LYS 268 Cb 0.08 -2.78 -0.09 0.00 -0.52 0.00 0.00 37.83 34.53 1rov s LYS 268 CO 0.77 0.50 1.62 0.45 -0.92 0.00 0.00 175.35 177.78 1rov s SER 269 N -0.35 6.61 0.00 2.83 0.15 0.25 -1.86 113.70 121.33 1rov s SER 269 Ca 0.06 2.49 0.00 0.00 0.70 0.00 0.00 55.95 59.20 1rov s SER 269 Cb -0.12 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 1rov s SER 269 CO 0.02 -0.86 0.00 -0.24 1.20 0.00 0.00 173.24 173.36 1rov n SER 270 N 5.22 0.00 -0.42 5.45 2.88 -1.26 -4.82 113.62 120.67 1rov n SER 270 Ca 0.15 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.82 1rov n SER 270 Cb 0.40 0.00 0.30 0.00 -0.75 0.00 0.00 64.21 64.17 1rov n SER 270 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1rov n ASP 271 N 0.00 1.54 -3.83 -3.46 8.00 -0.78 -4.58 116.55 113.45 1rov n ASP 271 Ca 0.00 -1.27 -0.42 0.00 0.71 0.00 0.00 54.79 53.81 1rov n ASP 271 Cb 0.00 0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.27 1rov n ASP 271 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1rov n PHE 272 N -0.13 3.25 0.04 1.24 3.72 -1.26 -4.80 117.46 119.53 1rov n PHE 272 Ca 0.13 -2.88 -0.03 0.00 -0.05 0.00 0.00 57.45 54.62 1rov n PHE 272 Cb 0.40 -2.22 0.21 0.00 -0.94 0.00 0.00 39.48 36.93 1rov n PHE 272 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1rov h LEU 273 N 8.88 0.41 -1.87 4.37 3.38 -1.97 -2.10 115.31 126.42 1rov h LEU 273 Ca 0.47 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.27 1rov h LEU 273 Cb 0.64 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 1rov h LEU 273 CO 1.73 0.70 -0.09 0.71 0.09 0.00 0.00 178.44 181.58 1rov h THR 274 N 0.35 0.34 0.23 0.22 1.35 -1.94 -1.53 112.91 111.94 1rov h THR 274 Ca 0.05 -0.53 -0.01 0.00 -0.55 0.00 0.00 66.41 65.37 1rov h THR 274 Cb 0.71 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 1rov h THR 274 CO 0.05 0.09 -0.11 0.22 -0.25 0.00 0.00 175.52 175.52 1rov h TYR 275 N 0.00 -0.29 -0.67 4.73 3.20 -1.79 -1.53 116.97 120.62 1rov h TYR 275 Ca -0.00 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 61.99 1rov h TYR 275 Cb 0.38 0.10 -0.09 0.00 1.54 0.00 0.00 36.73 38.65 1rov h TYR 275 CO 0.00 0.04 0.19 0.78 -1.64 0.00 0.00 178.16 177.53 1rov h GLY 276 N -0.64 0.92 0.93 1.82 0.00 -1.22 -0.00 103.07 104.89 1rov h GLY 276 Ca -0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 1rov h GLY 276 CO 0.05 -0.12 -0.20 1.41 0.00 0.00 0.00 176.54 177.68 1rov h LEU 277 N 0.32 -0.49 -1.49 3.11 -0.00 -1.07 -2.16 115.31 113.53 1rov h LEU 277 Ca 0.36 0.03 0.11 0.00 -0.00 0.00 0.00 57.88 58.38 1rov h LEU 277 Cb 0.55 0.14 -0.05 0.00 -0.00 0.00 0.00 40.66 41.30 1rov h LEU 277 CO -0.42 -0.32 0.48 0.50 -0.00 0.00 0.00 178.44 178.68 1rov h LYS 278 N -0.52 0.53 0.00 1.13 3.64 -1.13 -2.24 116.57 117.98 1rov h LYS 278 Ca -0.04 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1rov h LYS 278 Cb 0.42 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1rov h LYS 278 CO 0.05 0.35 0.00 0.77 -2.27 0.00 0.00 179.45 178.35 1rov h SER 279 N 0.55 0.00 -0.54 4.20 0.02 -0.79 -0.42 113.55 116.57 1rov h SER 279 Ca 0.35 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.19 1rov h SER 279 Cb 0.60 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 1rov h SER 279 CO -0.12 0.00 -0.08 0.58 -1.14 0.00 0.00 176.83 176.07 1rov h VAL 280 N 0.00 1.27 0.00 2.27 2.07 -0.75 0.13 116.25 121.24 1rov h VAL 280 Ca 0.00 -1.22 -0.29 0.00 0.82 0.00 0.00 66.70 66.00 1rov h VAL 280 Cb 0.72 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 1rov h VAL 280 CO 0.00 0.44 -1.61 -1.54 0.02 0.00 0.00 177.57 174.88 1rov n SER 281 N -4.16 1.89 0.00 0.57 3.41 -1.20 0.37 113.62 114.50 1rov n SER 281 Ca 0.02 0.39 0.09 0.00 -0.26 0.00 0.00 58.87 59.11 1rov n SER 281 Cb 0.38 -0.93 0.41 0.00 -0.26 0.00 0.00 64.21 63.81 1rov n SER 281 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rov n GLN 282 N -4.36 0.09 0.00 4.33 6.02 -0.17 -4.43 117.38 118.86 1rov n GLN 282 Ca -0.38 0.17 0.00 0.00 -0.01 0.00 0.00 57.00 56.78 1rov n GLN 282 Cb 0.74 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.50 1rov n GLN 282 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1rov n ASN 283 N -1.42 -0.00 0.12 1.08 3.02 -0.90 -4.94 115.26 112.21 1rov n ASN 283 Ca 0.06 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.59 1rov n ASN 283 Cb 0.19 0.13 0.15 0.00 -0.61 0.00 0.00 39.78 39.63 1rov n ASN 283 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1rov h VAL 284 N 0.00 1.45 0.14 2.41 2.07 0.13 -3.27 116.25 119.18 1rov h VAL 284 Ca 0.00 -2.17 -0.01 0.00 0.82 0.00 0.00 66.70 65.34 1rov h VAL 284 Cb 0.00 2.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 1rov h VAL 284 CO 0.00 0.62 -0.07 0.25 0.02 0.00 0.00 177.57 178.40 1rov h LEU 285 N 0.03 -0.16 -1.17 2.57 5.85 -0.30 -2.61 115.31 119.52 1rov h LEU 285 Ca -0.01 0.01 0.32 0.00 0.84 0.00 0.00 57.88 59.04 1rov h LEU 285 Cb 1.14 0.04 -0.13 0.00 0.37 0.00 0.00 40.66 42.08 1rov h LEU 285 CO 0.09 -0.09 0.65 -0.65 -0.34 0.00 0.00 178.44 178.10 1rov h PRO 286 N -0.23 0.31 -0.93 5.25 0.11 -1.80 0.11 132.00 134.83 1rov h PRO 286 Ca -0.02 -0.02 -0.50 0.00 0.11 0.00 0.00 66.00 65.57 1rov h PRO 286 Cb 0.14 -0.07 -0.29 0.00 0.11 0.00 0.00 31.00 30.90 1rov h PRO 286 CO 0.03 0.21 0.59 1.28 -0.21 0.00 0.00 178.00 179.90 1rov n LEU 287 N -4.86 6.54 -0.00 2.35 4.77 -1.23 -2.71 117.00 121.86 1rov n LEU 287 Ca 0.31 -3.69 -0.01 0.00 -0.03 0.00 0.00 56.01 52.59 1rov n LEU 287 Cb 1.03 -0.83 -0.01 0.00 -2.33 0.00 0.00 43.42 41.28 1rov n LEU 287 CO 0.16 1.11 -0.53 0.18 -1.33 0.00 0.00 177.39 176.98 1rov n LEU 288 N -1.13 0.49 -0.19 2.23 4.77 0.34 -4.63 117.00 118.88 1rov n LEU 288 Ca 0.57 -0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 56.51 1rov n LEU 288 Cb 1.53 0.01 0.05 0.00 -2.33 0.00 0.00 43.42 42.69 1rov n LEU 288 CO 0.58 0.10 1.07 1.56 -1.33 0.00 0.00 177.39 179.37 1rov h GLN 289 N 0.00 0.62 0.00 3.23 4.20 -1.33 -2.70 115.11 119.12 1rov h GLN 289 Ca -0.02 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1rov h GLN 289 Cb 1.05 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.69 1rov h GLN 289 CO 0.00 0.41 0.04 0.43 -0.67 0.00 0.00 178.83 179.04 1rov n SER 290 N -4.79 0.00 0.00 1.46 7.64 -1.10 0.36 113.62 117.19 1rov n SER 290 Ca 0.05 0.29 0.00 0.00 1.01 0.00 0.00 58.87 60.22 1rov n SER 290 Cb 0.10 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 1rov n SER 290 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rov n ALA 291 N -1.26 2.16 -2.00 -0.43 0.00 -1.18 -4.08 120.51 113.73 1rov n ALA 291 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1rov n ALA 291 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.49 1rov n ALA 291 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1rov n PHE 292 N -0.33 0.00 0.00 0.00 3.01 1.13 -0.91 117.46 120.36 1rov n PHE 292 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1rov n PHE 292 Cb 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.48 1rov n PHE 292 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1rov n ASP 293 N 0.00 0.00 0.00 4.37 10.43 0.12 -1.23 116.55 130.24 1rov n ASP 293 Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 1rov n ASP 293 Cb 0.00 0.00 0.00 0.00 1.84 0.00 0.00 41.12 42.96 1rov n ASP 293 CO 0.00 0.00 0.00 -0.11 -1.07 0.00 0.00 177.20 176.02 1rov n LEU 294 N -0.71 0.00 0.00 0.64 0.00 -1.18 -4.97 117.00 110.77 1rov n LEU 294 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 1rov n LEU 294 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 1rov n LEU 294 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 177.39 174.19 1rov n ASN 295 N 0.00 0.00 -0.03 1.96 2.85 -0.36 -4.97 115.26 114.70 1rov n ASN 295 Ca 0.00 0.00 0.13 0.00 -0.11 0.00 0.00 54.58 54.60 1rov n ASN 295 Cb 0.00 0.00 0.48 0.00 1.24 0.00 0.00 39.78 41.50 1rov n ASN 295 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1rov n PHE 296 N 0.00 0.00 -3.89 1.20 3.01 -0.09 -4.81 117.46 112.89 1rov n PHE 296 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.35 1rov n PHE 296 Cb 0.00 -0.32 -0.12 0.00 -0.01 0.00 0.00 39.48 39.03 1rov n PHE 296 CO 0.00 0.00 0.00 -0.08 1.01 0.00 0.00 176.76 177.69 1rov s THR 297 N -2.86 0.04 0.44 4.37 -1.32 -1.22 -4.99 115.64 110.10 1rov s THR 297 Ca 0.17 -0.36 -0.23 0.00 -1.21 0.00 0.00 61.69 60.05 1rov s THR 297 Cb 0.19 -0.21 -0.10 0.00 -1.51 0.00 0.00 72.50 70.87 1rov s THR 297 CO 0.58 -0.20 0.91 -0.81 -2.21 0.00 0.00 174.62 172.89 1rov n PRO 298 N 2.37 1.14 0.02 7.08 -0.04 -1.26 -4.83 135.00 139.48 1rov n PRO 298 Ca -0.17 0.41 0.11 0.00 -0.04 0.00 0.00 63.50 63.82 1rov n PRO 298 Cb 0.58 -1.94 0.49 0.00 -0.04 0.00 0.00 33.50 32.58 1rov n PRO 298 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1rov n ARG 299 N 0.13 0.04 -3.84 0.54 0.63 -1.26 -4.82 116.66 108.07 1rov n ARG 299 Ca 0.10 0.13 -0.12 0.00 -0.92 0.00 0.00 57.85 57.05 1rov n ARG 299 Cb 0.40 -1.55 -0.10 0.00 0.45 0.00 0.00 32.46 31.66 1rov n ARG 299 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 1rov s GLU 300 N -3.03 0.44 0.41 -0.14 2.56 -1.26 -4.05 118.70 113.62 1rov s GLU 300 Ca 0.11 -0.21 -0.25 0.00 0.00 0.00 0.00 54.97 54.61 1rov s GLU 300 Cb 0.15 0.19 -0.08 0.00 2.00 0.00 0.00 34.13 36.38 1rov s GLU 300 CO 0.44 -0.10 1.15 -0.06 -0.56 0.00 0.00 175.26 176.13 1rov s PHE 301 N -1.01 3.07 -0.06 5.30 0.08 -1.26 -4.97 117.98 119.13 1rov s PHE 301 Ca -0.11 1.56 0.02 0.00 0.12 0.00 0.00 56.93 58.53 1rov s PHE 301 Cb -0.06 -3.36 -0.03 0.00 -0.57 0.00 0.00 43.02 39.00 1rov s PHE 301 CO 0.01 -1.26 0.08 -0.25 -0.10 0.00 0.00 175.22 173.71 1rov n ASP 302 N 0.00 2.12 -4.12 1.36 8.00 -1.26 -4.93 116.55 117.73 1rov n ASP 302 Ca 0.05 -0.30 -0.10 0.00 0.71 0.00 0.00 54.79 55.14 1rov n ASP 302 Cb 0.47 1.05 -0.09 0.00 -0.02 0.00 0.00 41.12 42.53 1rov n ASP 302 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1rov s SER 303 N -1.72 0.17 0.43 -2.24 1.04 -1.26 -4.36 113.70 105.76 1rov s SER 303 Ca 0.00 -1.19 0.18 0.00 0.48 0.00 0.00 55.95 55.43 1rov s SER 303 Cb 0.02 0.38 0.98 0.00 0.10 0.00 0.00 66.02 67.50 1rov s SER 303 CO 0.10 -0.84 1.92 -0.26 0.98 0.00 0.00 173.24 175.14 1rov h PHE 304 N 2.66 0.00 -0.98 5.02 -1.00 -1.98 -2.86 116.94 117.80 1rov h PHE 304 Ca -0.34 0.00 0.07 0.00 2.81 0.00 0.00 57.97 60.51 1rov h PHE 304 Cb 1.23 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 40.72 1rov h PHE 304 CO 0.39 0.26 0.63 -0.44 -1.61 0.00 0.00 178.31 177.55 1rov h ASP 305 N 0.00 1.00 -0.37 2.17 3.32 -1.99 -1.99 116.42 118.56 1rov h ASP 305 Ca -0.00 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.00 1rov h ASP 305 Cb 0.54 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 1rov h ASP 305 CO 0.03 0.63 0.01 -0.33 -1.72 0.00 0.00 179.24 177.86 1rov h GLU 306 N 1.12 0.64 -0.27 3.56 5.08 -1.92 -2.25 114.58 120.56 1rov h GLU 306 Ca 0.43 -0.20 0.05 0.00 -1.00 0.00 0.00 59.36 58.64 1rov h GLU 306 Cb 0.21 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 1rov h GLU 306 CO -0.18 0.74 -0.01 0.28 -1.00 0.00 0.00 179.01 178.84 1rov h VAL 307 N 0.47 0.79 0.00 3.13 2.07 -1.54 -2.68 116.25 118.48 1rov h VAL 307 Ca 0.11 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.59 1rov h VAL 307 Cb 0.45 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1rov h VAL 307 CO 0.02 0.01 -0.08 0.45 0.02 0.00 0.00 177.57 177.99 1rov h HIS 308 N 0.06 0.00 0.00 1.57 3.86 -1.31 -2.23 115.15 117.10 1rov h HIS 308 Ca 0.13 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 1rov h HIS 308 Cb 0.17 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.64 1rov h HIS 308 CO -0.22 0.08 0.00 0.41 0.86 0.00 0.00 177.93 179.06 1rov n GLY 309 N -1.05 -0.75 0.24 2.45 0.00 -0.85 -2.26 105.19 102.96 1rov n GLY 309 Ca -0.02 -0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.02 1rov n GLY 309 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1rov h LEU 310 N 0.00 0.00 0.00 0.99 4.07 -1.43 0.39 115.31 119.34 1rov h LEU 310 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1rov h LEU 310 Cb 0.09 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.83 1rov h LEU 310 CO 0.00 0.12 -0.88 -1.22 -1.08 0.00 0.00 178.44 175.38 1rov n TYR 311 N -3.23 0.00 0.00 1.13 4.02 -0.96 -0.87 117.16 117.25 1rov n TYR 311 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 1rov n TYR 311 Cb 0.41 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.71 1rov n TYR 311 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1rov n SER 312 N -1.45 0.00 -0.04 7.72 7.64 -1.21 -4.52 113.62 121.76 1rov n SER 312 Ca 0.03 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.04 1rov n SER 312 Cb 0.29 0.00 0.39 0.00 -1.01 0.00 0.00 64.21 63.87 1rov n SER 312 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rov n GLY 313 N 3.74 -1.19 7.00 0.23 0.00 -1.22 -4.97 105.19 108.77 1rov n GLY 313 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1rov n GLY 313 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rov n GLY 314 N 1.45 -1.31 3.75 -0.02 0.00 0.14 -4.65 105.19 104.55 1rov n GLY 314 Ca 0.08 -1.21 -0.38 0.00 0.00 0.00 0.00 46.02 44.51 1rov n GLY 314 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1rov s ILE 315 N 0.00 5.15 0.13 -0.61 -4.36 -1.25 -4.62 121.20 115.65 1rov s ILE 315 Ca 0.00 0.88 -0.31 0.00 -0.26 0.00 0.00 60.65 60.97 1rov s ILE 315 Cb 0.00 -3.77 -0.07 0.00 1.25 0.00 0.00 42.46 39.86 1rov s ILE 315 CO 0.00 0.39 1.29 -0.54 0.24 0.00 0.00 174.94 176.33 1rov s LYS 316 N 0.19 4.39 0.48 0.37 3.01 -1.26 -0.86 119.74 126.06 1rov s LYS 316 Ca 0.24 1.96 0.03 0.00 -1.01 0.00 0.00 55.97 57.19 1rov s LYS 316 Cb -0.15 -3.26 -0.03 0.00 -1.01 0.00 0.00 37.83 33.38 1rov s LYS 316 CO 0.10 -0.30 0.01 -0.51 0.51 0.00 0.00 175.35 175.16 1rov s LEU 317 N 0.63 2.43 0.24 3.17 2.01 -1.10 -4.84 118.68 121.22 1rov s LEU 317 Ca 0.60 -1.59 -0.18 0.00 0.01 0.00 0.00 54.13 52.97 1rov s LEU 317 Cb -0.34 -0.76 -0.08 0.00 0.01 0.00 0.00 46.19 45.01 1rov s LEU 317 CO 0.33 -0.76 0.71 -2.16 1.01 0.00 0.00 176.35 175.48 1rov s PRO 318 N -3.84 4.17 0.31 1.29 0.04 -1.26 -4.68 135.00 131.04 1rov s PRO 318 Ca 0.13 0.79 0.00 0.00 0.04 0.00 0.00 61.00 61.97 1rov s PRO 318 Cb 0.04 -2.78 0.52 0.00 0.04 0.00 0.00 34.50 32.32 1rov s PRO 318 CO 0.07 0.35 1.94 1.15 0.04 0.00 0.00 177.00 180.54 1rov h THR 319 N 2.56 1.11 -0.99 1.26 2.02 -1.98 -0.88 112.91 116.01 1rov h THR 319 Ca -0.48 -0.35 0.34 0.00 0.77 0.00 0.00 66.41 66.69 1rov h THR 319 Cb 1.19 -0.01 -0.18 0.00 -1.74 0.00 0.00 68.15 67.41 1rov h THR 319 CO 0.65 0.19 0.27 0.47 0.37 0.00 0.00 175.52 177.47 1rov n ASP 320 N -4.46 0.10 -0.00 4.18 8.00 -1.26 -2.62 116.55 120.50 1rov n ASP 320 Ca 0.12 1.66 0.01 0.00 0.71 0.00 0.00 54.79 57.29 1rov n ASP 320 Cb 0.14 -0.70 -0.01 0.00 -0.02 0.00 0.00 41.12 40.53 1rov n ASP 320 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rov n ILE 321 N -5.37 0.00 0.93 0.53 0.00 -0.37 -3.19 119.36 111.89 1rov n ILE 321 Ca 0.30 -0.45 0.13 0.00 0.00 0.00 0.00 62.75 62.73 1rov n ILE 321 Cb 1.01 1.00 0.42 0.00 0.00 0.00 0.00 39.64 42.07 1rov n ILE 321 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 1rov n ILE 322 N -1.05 0.08 -0.01 9.51 2.08 -0.98 -2.32 119.36 126.66 1rov n ILE 322 Ca 0.00 -0.05 -0.04 0.00 0.56 0.00 0.00 62.75 63.22 1rov n ILE 322 Cb 0.03 -0.19 -0.12 0.00 -0.75 0.00 0.00 39.64 38.61 1rov n ILE 322 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 1rov n SER 323 N -1.62 0.67 0.09 4.38 3.41 -1.08 -3.19 113.62 116.28 1rov n SER 323 Ca 0.06 0.30 -0.04 0.00 -0.26 0.00 0.00 58.87 58.94 1rov n SER 323 Cb 0.35 0.33 -0.06 0.00 -0.26 0.00 0.00 64.21 64.57 1rov n SER 323 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1rov h LYS 324 N 0.00 0.00 -1.29 4.33 3.11 -1.57 -3.36 116.57 117.79 1rov h LYS 324 Ca -0.27 0.00 -0.59 0.00 -2.81 0.00 0.00 60.65 56.98 1rov h LYS 324 Cb 1.83 0.00 -0.41 0.00 -1.00 0.00 0.00 32.23 32.65 1rov h LYS 324 CO 0.05 0.82 -0.57 0.44 -2.81 0.00 0.00 179.45 177.38 1rov n ILE 325 N -3.31 2.56 0.00 2.00 -5.35 -0.98 -4.57 119.36 109.71 1rov n ILE 325 Ca 0.01 -4.59 0.00 0.00 -0.27 0.00 0.00 62.75 57.90 1rov n ILE 325 Cb 0.86 -1.22 0.00 0.00 -1.74 0.00 0.00 39.64 37.54 1rov n ILE 325 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1rov n SER 326 N -0.57 0.00 -1.62 7.28 2.88 -1.19 -4.86 113.62 115.53 1rov n SER 326 Ca 0.43 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.89 1rov n SER 326 Cb 0.73 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 64.35 1rov n SER 326 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1rov n PRO 327 N -1.00 2.41 -4.17 -1.46 -0.04 -1.26 -4.74 135.00 124.75 1rov n PRO 327 Ca 0.00 -1.92 -0.29 0.00 -0.04 0.00 0.00 63.50 61.25 1rov n PRO 327 Cb 0.00 -1.83 -0.08 0.00 -0.04 0.00 0.00 33.50 31.55 1rov n PRO 327 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1rov s LEU 328 N -1.94 3.35 0.40 1.53 0.05 -1.26 -5.10 118.68 115.70 1rov s LEU 328 Ca 0.35 -0.28 -0.24 0.00 0.05 0.00 0.00 54.13 54.01 1rov s LEU 328 Cb 0.29 -2.07 -0.12 0.00 -2.05 0.00 0.00 46.19 42.24 1rov s LEU 328 CO 0.08 0.15 0.84 -2.65 -0.55 0.00 0.00 176.35 174.22 1rov n PRO 329 N 0.37 1.04 0.00 1.48 -0.02 -1.26 -3.28 135.00 133.33 1rov n PRO 329 Ca -0.11 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 1rov n PRO 329 Cb 0.53 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 1rov n PRO 329 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1rov n VAL 330 N -0.51 0.00 1.40 -1.45 0.31 -1.26 -4.64 118.33 112.17 1rov n VAL 330 Ca 0.10 0.00 0.15 0.00 -0.01 0.00 0.00 64.34 64.58 1rov n VAL 330 Cb 0.38 0.00 0.73 0.00 -0.91 0.00 0.00 33.84 34.04 1rov n VAL 330 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1rov n LEU 331 N 0.00 0.05 -4.55 7.52 4.32 -1.20 -4.51 117.00 118.62 1rov n LEU 331 Ca 0.00 0.27 -0.42 0.00 -0.02 0.00 0.00 56.01 55.84 1rov n LEU 331 Cb 0.00 -0.29 -0.06 0.00 -1.62 0.00 0.00 43.42 41.45 1rov n LEU 331 CO 0.00 0.01 0.42 -0.54 -1.22 0.00 0.00 177.39 176.06 1rov s LYS 332 N -2.59 3.51 0.00 3.23 1.02 -1.26 -3.21 119.74 120.44 1rov s LYS 332 Ca 0.27 -0.09 0.00 0.00 0.02 0.00 0.00 55.97 56.17 1rov s LYS 332 Cb 0.20 -3.87 0.00 0.00 -0.52 0.00 0.00 37.83 33.64 1rov s LYS 332 CO 0.47 -0.89 0.00 -1.91 -0.92 0.00 0.00 175.35 172.10 1rov n GLU 333 N 6.23 0.00 0.00 1.68 2.13 -1.26 -5.01 120.64 124.41 1rov n GLU 333 Ca -0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.81 1rov n GLU 333 Cb 0.48 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.19 1rov n GLU 333 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 1rov n ILE 334 N -0.66 0.00 -4.56 6.31 -5.35 -1.20 -5.08 119.36 108.82 1rov n ILE 334 Ca 0.00 0.00 -0.31 0.00 -0.27 0.00 0.00 62.75 62.17 1rov n ILE 334 Cb 0.00 -0.08 -0.12 0.00 -1.74 0.00 0.00 39.64 37.70 1rov n ILE 334 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1rov s PHE 335 N -1.24 2.64 -0.25 4.28 0.08 -1.20 -4.79 117.98 117.50 1rov s PHE 335 Ca 0.00 -0.20 -0.08 0.00 0.12 0.00 0.00 56.93 56.77 1rov s PHE 335 Cb 0.00 -1.49 -0.03 0.00 -0.57 0.00 0.00 43.02 40.93 1rov s PHE 335 CO 0.00 0.30 0.09 1.03 -0.10 0.00 0.00 175.22 176.54 1rov s ARG 336 N -1.54 3.73 0.39 0.44 0.52 -1.08 -4.87 118.95 116.55 1rov s ARG 336 Ca 0.16 -0.44 -0.06 0.00 -0.52 0.00 0.00 55.73 54.87 1rov s ARG 336 Cb -0.11 -3.36 -0.05 0.00 0.52 0.00 0.00 34.95 31.95 1rov s ARG 336 CO 0.07 -0.14 0.69 0.99 0.02 0.00 0.00 175.30 176.93 1rov s THR 337 N 1.50 4.94 -0.24 0.02 2.01 -1.26 -1.17 115.64 121.44 1rov s THR 337 Ca 0.06 0.17 -0.03 0.00 0.31 0.00 0.00 61.69 62.20 1rov s THR 337 Cb -0.15 -3.80 0.11 0.00 0.01 0.00 0.00 72.50 68.67 1rov s THR 337 CO 0.05 -0.58 0.23 -0.62 -0.69 0.00 0.00 174.62 173.01 1rov s ASP 338 N -3.60 1.68 1.19 3.53 2.15 -1.26 -4.99 116.67 115.37 1rov s ASP 338 Ca 0.46 -0.48 0.00 0.00 0.43 0.00 0.00 52.55 52.96 1rov s ASP 338 Cb -0.10 0.35 0.00 0.00 -0.30 0.00 0.00 42.92 42.86 1rov s ASP 338 CO 0.36 -0.36 0.00 0.61 -0.17 0.00 0.00 175.17 175.61 1rov n GLY 339 N 5.31 0.89 0.00 2.66 0.00 -1.26 -4.52 105.19 108.28 1rov n GLY 339 Ca -0.05 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.41 1rov n GLY 339 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1rov n GLU 340 N 0.00 0.00 0.00 1.61 4.07 -1.26 -5.02 120.64 120.04 1rov n GLU 340 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1rov n GLU 340 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1rov n GLU 340 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 1rov n GLN 341 N 0.00 0.00 -1.72 5.31 1.13 -1.26 -4.83 117.38 116.00 1rov n GLN 341 Ca 0.00 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.64 1rov n GLN 341 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 30.34 1rov n GLN 341 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1rov n ALA 342 N -1.08 1.84 -3.31 -1.58 0.00 -1.25 -2.69 120.51 112.43 1rov n ALA 342 Ca 0.00 0.37 -0.40 0.00 0.00 0.00 0.00 53.44 53.41 1rov n ALA 342 Cb 0.00 -2.35 -0.02 0.00 0.00 0.00 0.00 19.45 17.08 1rov n ALA 342 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1rov n LEU 343 N 1.32 5.30 -4.74 0.00 0.00 -0.04 -4.34 117.00 114.50 1rov n LEU 343 Ca 0.06 -5.17 -0.36 0.00 0.00 0.00 0.00 56.01 50.54 1rov n LEU 343 Cb 0.36 -1.21 0.06 0.00 0.00 0.00 0.00 43.42 42.63 1rov n LEU 343 CO 0.63 1.61 0.86 -0.54 0.00 0.00 0.00 177.39 179.96 1rov s LYS 344 N -1.99 2.62 0.16 1.96 1.02 -0.32 -3.80 119.74 119.38 1rov s LYS 344 Ca 0.31 1.93 0.11 0.00 0.02 0.00 0.00 55.97 58.34 1rov s LYS 344 Cb -0.01 -1.87 -0.04 0.00 -0.52 0.00 0.00 37.83 35.39 1rov s LYS 344 CO -0.02 -1.51 -0.24 -0.06 -0.92 0.00 0.00 175.35 172.61 1rov s PHE 345 N -1.57 2.35 0.39 3.18 0.08 -0.05 -2.62 117.98 119.74 1rov s PHE 345 Ca 0.79 -0.35 -0.25 0.00 0.12 0.00 0.00 56.93 57.25 1rov s PHE 345 Cb -0.34 -1.22 -0.09 0.00 -0.57 0.00 0.00 43.02 40.81 1rov s PHE 345 CO 0.38 0.42 1.07 -1.25 -0.10 0.00 0.00 175.22 175.74 1rov s PRO 346 N -2.37 4.18 -0.04 0.24 0.04 -1.26 -4.21 135.00 131.58 1rov s PRO 346 Ca 0.18 1.57 -0.30 0.00 0.04 0.00 0.00 61.00 62.50 1rov s PRO 346 Cb -0.09 -2.61 -0.05 0.00 0.04 0.00 0.00 34.50 31.79 1rov s PRO 346 CO 0.09 -0.14 1.53 -1.25 0.04 0.00 0.00 177.00 177.26 1rov s PRO 347 N -2.39 4.22 0.57 0.56 0.04 -1.26 -4.94 135.00 131.80 1rov s PRO 347 Ca 0.57 2.07 -0.20 0.00 0.04 0.00 0.00 61.00 63.48 1rov s PRO 347 Cb -0.24 -3.80 -0.04 0.00 0.04 0.00 0.00 34.50 30.46 1rov s PRO 347 CO 0.30 -0.74 1.24 -2.14 0.04 0.00 0.00 177.00 175.69 1rov s PRO 348 N 3.38 3.05 0.49 0.56 0.01 -1.26 -4.88 135.00 136.35 1rov s PRO 348 Ca 0.68 1.92 0.26 0.00 0.01 0.00 0.00 61.00 63.87 1rov s PRO 348 Cb -0.32 -2.03 1.32 0.00 0.01 0.00 0.00 34.50 33.47 1rov s PRO 348 CO 0.27 -1.17 1.87 0.87 0.01 0.00 0.00 177.00 178.85 1rov h LYS 349 N 1.09 0.17 0.00 5.54 1.57 -1.83 -2.30 116.57 120.80 1rov h LYS 349 Ca -0.50 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.26 1rov h LYS 349 Cb 1.30 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.57 1rov h LYS 349 CO 0.56 0.11 -0.01 -0.24 -0.57 0.00 0.00 179.45 179.29 1rov h VAL 350 N 0.17 0.46 -0.01 0.50 3.04 -1.46 -2.55 116.25 116.39 1rov h VAL 350 Ca 0.46 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 66.08 1rov h VAL 350 Cb 1.52 1.05 0.00 0.00 -2.01 0.00 0.00 31.29 31.84 1rov h VAL 350 CO -0.09 0.01 -0.12 2.30 -1.01 0.00 0.00 177.57 178.66 1rov n ILE 351 N -3.73 0.00 0.27 3.17 -5.35 -0.88 -4.69 119.36 108.15 1rov n ILE 351 Ca -0.03 -0.44 0.15 0.00 -0.27 0.00 0.00 62.75 62.17 1rov n ILE 351 Cb 0.10 1.24 0.87 0.00 -1.74 0.00 0.00 39.64 40.11 1rov n ILE 351 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 1rov h GLN 352 N 2.29 0.00 0.00 6.28 4.20 -1.30 -3.33 115.11 123.25 1rov h GLN 352 Ca 0.00 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.49 1rov h GLN 352 Cb 0.55 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.29 1rov h GLN 352 CO 0.00 0.00 -1.76 0.28 -0.67 0.00 0.00 178.83 176.68 1rov n VAL 353 N -3.89 0.76 -4.50 -0.54 0.31 -1.26 -4.98 118.33 104.22 1rov n VAL 353 Ca -0.02 -0.22 -0.28 0.00 -0.01 0.00 0.00 64.34 63.81 1rov n VAL 353 Cb 0.16 -1.47 -0.17 0.00 -0.91 0.00 0.00 33.84 31.45 1rov n VAL 353 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1rov s SER 354 N -5.95 2.37 0.40 4.52 0.15 -1.25 -5.04 113.70 108.90 1rov s SER 354 Ca -0.19 -0.41 0.27 0.00 0.70 0.00 0.00 55.95 56.32 1rov s SER 354 Cb 0.07 -1.06 0.89 0.00 -1.71 0.00 0.00 66.02 64.20 1rov s SER 354 CO 0.26 0.02 1.78 0.11 1.20 0.00 0.00 173.24 176.61 1rov h LYS 355 N 7.34 0.00 0.00 5.44 1.57 -1.88 -3.36 116.57 125.68 1rov h LYS 355 Ca -0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 1rov h LYS 355 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1rov h LYS 355 CO 0.48 0.00 -1.02 -1.13 -0.57 0.00 0.00 179.45 177.21 1rov n SER 356 N -2.77 1.22 -0.05 0.86 3.41 -1.26 -4.71 113.62 110.32 1rov n SER 356 Ca 0.03 -0.45 0.23 0.00 -0.26 0.00 0.00 58.87 58.42 1rov n SER 356 Cb 0.38 1.26 0.72 0.00 -0.26 0.00 0.00 64.21 66.30 1rov n SER 356 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rov h ALA 357 N 1.52 2.55 -0.68 7.33 0.00 -1.88 -2.28 119.26 125.81 1rov h ALA 357 Ca 0.00 -0.02 0.20 0.00 0.00 0.00 0.00 54.91 55.08 1rov h ALA 357 Cb 0.42 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1rov h ALA 357 CO 0.00 -0.83 0.56 0.11 0.00 0.00 0.00 179.25 179.09 1rov h TRP 358 N 0.00 0.00 -0.00 0.00 5.08 -1.86 -1.40 115.95 117.77 1rov h TRP 358 Ca 0.31 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.28 1rov h TRP 358 Cb 1.30 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.46 1rov h TRP 358 CO 0.00 0.00 -0.00 -1.33 -1.28 0.00 0.00 178.44 175.83 1rov n MET 359 N -4.03 1.08 -3.01 0.12 2.81 -0.86 -4.48 117.12 108.75 1rov n MET 359 Ca 0.14 -0.15 -0.32 0.00 -1.81 0.00 0.00 57.70 55.56 1rov n MET 359 Cb 0.82 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.77 1rov n MET 359 CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 1rov s THR 360 N -2.02 4.62 0.27 2.03 -1.32 -0.53 -4.92 115.64 113.77 1rov s THR 360 Ca 0.46 1.04 0.04 0.00 -1.21 0.00 0.00 61.69 62.01 1rov s THR 360 Cb 0.22 -3.62 0.02 0.00 -1.51 0.00 0.00 72.50 67.61 1rov s THR 360 CO 0.37 -0.27 1.66 0.44 -2.21 0.00 0.00 174.62 174.61 1rov h ASP 361 N 2.02 0.37 -0.06 8.08 5.19 -1.89 -2.75 116.42 127.38 1rov h ASP 361 Ca -0.48 -0.16 0.01 0.00 -0.62 0.00 0.00 57.03 55.78 1rov h ASP 361 Cb 1.18 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 40.57 1rov h ASP 361 CO 0.64 0.75 -0.02 -0.33 -3.12 0.00 0.00 179.24 177.15 1rov h GLU 362 N 0.30 -0.02 -0.20 3.56 3.07 -1.91 -2.47 114.58 116.90 1rov h GLU 362 Ca 0.03 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.82 1rov h GLU 362 Cb 0.85 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.75 1rov h GLU 362 CO 0.07 -0.01 -0.17 1.49 -1.40 0.00 0.00 179.01 178.99 1rov h GLU 363 N -0.02 0.35 -0.27 2.33 4.57 -1.80 -0.55 114.58 119.19 1rov h GLU 363 Ca 0.03 -0.10 -0.02 0.00 -1.18 0.00 0.00 59.36 58.09 1rov h GLU 363 Cb 0.07 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 1rov h GLU 363 CO -0.07 0.52 0.08 0.35 -1.18 0.00 0.00 179.01 178.71 1rov h PHE 364 N 0.32 0.44 -0.27 0.92 3.57 -1.32 -2.27 116.94 118.33 1rov h PHE 364 Ca 0.06 -0.04 -0.14 0.00 3.53 0.00 0.00 57.97 61.38 1rov h PHE 364 Cb 0.50 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.11 1rov h PHE 364 CO 0.01 0.47 -0.36 0.00 -2.23 0.00 0.00 178.31 176.20 1rov h ALA 365 N 0.91 0.41 -0.92 2.41 0.00 -1.39 -3.26 119.26 117.42 1rov h ALA 365 Ca 0.09 -0.44 0.13 0.00 0.00 0.00 0.00 54.91 54.69 1rov h ALA 365 Cb 0.24 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 17.87 1rov h ALA 365 CO -0.00 0.48 0.54 -0.09 0.00 0.00 0.00 179.25 180.18 1rov h ARG 366 N 0.46 0.80 0.00 0.00 2.43 -1.00 -2.41 114.38 114.66 1rov h ARG 366 Ca 0.03 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1rov h ARG 366 Cb 0.95 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.32 1rov h ARG 366 CO 0.09 0.53 0.00 0.39 -1.51 0.00 0.00 179.97 179.46 1rov n GLU 367 N -4.73 0.12 0.07 0.20 1.02 -0.86 -0.83 120.64 115.62 1rov n GLU 367 Ca 0.18 0.47 0.13 0.00 -0.02 0.00 0.00 57.16 57.91 1rov n GLU 367 Cb 0.38 -1.79 0.40 0.00 -0.02 0.00 0.00 31.44 30.41 1rov n GLU 367 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1rov n MET 368 N -2.03 0.20 -0.04 3.49 2.81 -0.91 -1.26 117.12 119.37 1rov n MET 368 Ca 0.01 0.13 -0.02 0.00 -1.81 0.00 0.00 57.70 56.01 1rov n MET 368 Cb 0.13 -1.70 -0.10 0.00 -0.71 0.00 0.00 33.22 30.85 1rov n MET 368 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1rov n LEU 369 N -2.03 0.00 -0.35 4.03 4.77 -0.01 -4.29 117.00 119.12 1rov n LEU 369 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1rov n LEU 369 Cb 0.41 0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 1rov n LEU 369 CO 0.31 0.20 0.26 0.00 -1.33 0.00 0.00 177.39 176.83 1rov n ALA 370 N -2.29 1.73 -2.21 -1.18 0.00 -0.59 -2.50 120.51 113.48 1rov n ALA 370 Ca -0.14 -0.90 0.00 0.00 0.00 0.00 0.00 53.44 52.40 1rov n ALA 370 Cb 0.71 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.81 1rov n ALA 370 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rov n GLY 371 N -0.04 1.68 0.23 0.00 0.00 -0.39 -4.91 105.19 101.76 1rov n GLY 371 Ca 0.00 -2.03 0.09 0.00 0.00 0.00 0.00 46.02 44.08 1rov n GLY 371 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1rov h VAL 372 N -0.03 0.75 -2.17 1.61 3.04 -1.85 -3.35 116.25 114.26 1rov h VAL 372 Ca 0.00 -0.94 -0.57 0.00 -1.01 0.00 0.00 66.70 64.18 1rov h VAL 372 Cb 0.00 1.58 -0.39 0.00 -2.01 0.00 0.00 31.29 30.47 1rov h VAL 372 CO 0.00 0.22 -1.02 -3.20 -1.01 0.00 0.00 177.57 172.56 1rov n ASN 373 N -3.67 0.21 -1.01 3.17 5.15 -1.26 -4.28 115.26 113.56 1rov n ASN 373 Ca -0.01 -2.63 0.05 0.00 -0.60 0.00 0.00 54.58 51.38 1rov n ASN 373 Cb 0.35 -0.61 0.20 0.00 -0.53 0.00 0.00 39.78 39.18 1rov n ASN 373 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1rov n PRO 374 N 1.89 2.56 0.04 1.20 -0.04 -1.26 -4.31 135.00 135.08 1rov n PRO 374 Ca 0.25 -1.56 0.07 0.00 -0.04 0.00 0.00 63.50 62.21 1rov n PRO 374 Cb 0.50 -1.64 -0.07 0.00 -0.04 0.00 0.00 33.50 32.25 1rov n PRO 374 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1rov n ASN 375 N 0.47 0.60 -0.04 3.54 5.15 -1.26 -4.56 115.26 119.17 1rov n ASN 375 Ca 0.14 0.25 -0.07 0.00 -0.60 0.00 0.00 54.58 54.30 1rov n ASN 375 Cb 0.57 0.75 -0.14 0.00 -0.53 0.00 0.00 39.78 40.43 1rov n ASN 375 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1rov n LEU 376 N -2.65 0.57 -4.68 1.20 7.94 -1.26 -5.00 117.00 113.12 1rov n LEU 376 Ca -0.06 0.27 -0.40 0.00 -1.11 0.00 0.00 56.01 54.70 1rov n LEU 376 Cb 0.68 0.25 0.02 0.00 0.53 0.00 0.00 43.42 44.90 1rov n LEU 376 CO 0.42 0.37 0.80 0.00 -1.11 0.00 0.00 177.39 177.87 1rov n ILE 377 N -2.90 2.79 -4.18 1.96 0.13 -1.26 -4.79 119.36 111.11 1rov n ILE 377 Ca -0.20 -0.50 -0.13 0.00 -1.10 0.00 0.00 62.75 60.81 1rov n ILE 377 Cb 1.03 -1.45 -0.11 0.00 -0.84 0.00 0.00 39.64 38.28 1rov n ILE 377 CO 0.00 0.00 0.00 -0.13 2.80 0.00 0.00 176.55 179.22 1rov s ARG 378 N -2.30 0.85 -0.11 9.51 0.52 -0.25 -4.88 118.95 122.28 1rov s ARG 378 Ca 0.64 -1.21 -0.24 0.00 -0.52 0.00 0.00 55.73 54.41 1rov s ARG 378 Cb -0.50 -0.46 -0.03 0.00 0.52 0.00 0.00 34.95 34.48 1rov s ARG 378 CO 0.56 0.06 0.74 0.00 0.02 0.00 0.00 175.30 176.67 1rov s LEU 380 N 1.38 3.94 -0.22 0.00 2.96 -0.65 -4.82 118.68 121.27 1rov s LEU 380 Ca 0.37 1.78 0.11 0.00 -0.22 0.00 0.00 54.13 56.17 1rov s LEU 380 Cb -0.17 -3.53 -0.21 0.00 0.50 0.00 0.00 46.19 42.78 1rov s LEU 380 CO 0.16 -1.26 -0.06 0.29 -1.32 0.00 0.00 176.35 174.16 1rov n LYS 381 N 7.67 0.73 -3.91 1.98 4.76 -1.26 -4.82 118.16 123.31 1rov n LYS 381 Ca 0.20 0.06 -0.10 0.00 -2.87 0.00 0.00 58.31 55.59 1rov n LYS 381 Cb 0.45 -1.50 -0.10 0.00 -1.84 0.00 0.00 35.03 32.04 1rov n LYS 381 CO 0.00 0.00 0.00 0.16 -1.37 0.00 0.00 177.40 176.19 1rov s ASP 382 N -5.84 0.13 -0.01 4.39 1.47 -1.26 -5.01 116.67 110.55 1rov s ASP 382 Ca -0.20 -0.43 0.03 0.00 1.18 0.00 0.00 52.55 53.13 1rov s ASP 382 Cb 0.07 0.22 -0.01 0.00 -0.34 0.00 0.00 42.92 42.86 1rov s ASP 382 CO 0.71 -0.46 -0.09 0.12 0.68 0.00 0.00 175.17 176.13 1rov s PHE 383 N -2.19 0.81 0.80 2.11 5.36 -1.26 -3.80 117.98 119.82 1rov s PHE 383 Ca -0.08 -0.16 -0.11 0.00 -0.96 0.00 0.00 56.93 55.62 1rov s PHE 383 Cb -0.04 -0.52 0.07 0.00 -0.34 0.00 0.00 43.02 42.20 1rov s PHE 383 CO -0.03 -0.01 1.09 -1.25 -1.46 0.00 0.00 175.22 173.56 1rov s PRO 384 N -0.25 2.02 0.45 10.12 0.04 -1.26 -5.07 135.00 141.05 1rov s PRO 384 Ca 0.03 0.92 -0.23 0.00 0.04 0.00 0.00 61.00 61.76 1rov s PRO 384 Cb -0.04 -1.89 -0.10 0.00 0.04 0.00 0.00 34.50 32.52 1rov s PRO 384 CO -0.00 -1.74 0.97 -2.30 0.04 0.00 0.00 177.00 173.97 1rov n PRO 385 N -3.55 1.24 -4.10 0.56 -0.02 -1.25 -4.76 135.00 123.12 1rov n PRO 385 Ca 0.08 0.45 -0.23 0.00 -2.02 0.00 0.00 63.50 61.78 1rov n PRO 385 Cb 0.54 -2.03 -0.06 0.00 -0.02 0.00 0.00 33.50 31.94 1rov n PRO 385 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1rov s ARG 386 N -2.09 2.42 0.16 -0.52 0.52 -1.26 -1.07 118.95 117.11 1rov s ARG 386 Ca 0.65 -1.49 0.07 0.00 -0.52 0.00 0.00 55.73 54.44 1rov s ARG 386 Cb -0.54 -2.22 -0.04 0.00 0.52 0.00 0.00 34.95 32.68 1rov s ARG 386 CO 0.56 0.15 -0.03 0.45 0.02 0.00 0.00 175.30 176.44 1rov s SER 387 N -3.84 4.63 -0.11 0.23 0.15 -1.18 -4.91 113.70 108.67 1rov s SER 387 Ca 0.37 -0.42 0.18 0.00 0.70 0.00 0.00 55.95 56.78 1rov s SER 387 Cb -0.03 -0.94 0.72 0.00 -1.71 0.00 0.00 66.02 64.05 1rov s SER 387 CO 0.23 0.11 1.62 0.29 1.20 0.00 0.00 173.24 176.69 1rov n LYS 388 N 0.07 3.70 -1.52 5.44 4.76 -1.26 -4.48 118.16 124.88 1rov n LYS 388 Ca -0.10 -2.83 -0.29 0.00 -2.87 0.00 0.00 58.31 52.21 1rov n LYS 388 Cb 0.55 -1.89 0.12 0.00 -1.84 0.00 0.00 35.03 31.96 1rov n LYS 388 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1rov s LEU 389 N -1.81 2.29 0.00 -0.35 1.43 -1.24 -5.05 118.68 113.95 1rov s LEU 389 Ca 0.51 1.16 0.00 0.00 -1.03 0.00 0.00 54.13 54.76 1rov s LEU 389 Cb 0.33 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.93 1rov s LEU 389 CO 0.25 -2.29 0.11 -0.67 0.23 0.00 0.00 176.35 173.97 1rov n ASP 390 N -3.62 0.00 -0.00 2.29 -0.08 -1.26 -4.52 116.55 109.35 1rov n ASP 390 Ca 0.07 0.26 0.02 0.00 -1.51 0.00 0.00 54.79 53.62 1rov n ASP 390 Cb 0.58 -0.18 -0.02 0.00 2.34 0.00 0.00 41.12 43.83 1rov n ASP 390 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1rov n SER 391 N -1.04 0.78 -4.89 1.67 3.41 -1.26 -4.68 113.62 107.61 1rov n SER 391 Ca 0.00 -0.50 -0.29 0.00 -0.26 0.00 0.00 58.87 57.82 1rov n SER 391 Cb 0.00 1.03 0.05 0.00 -0.26 0.00 0.00 64.21 65.02 1rov n SER 391 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rov s GLN 392 N -1.50 2.82 0.00 4.33 0.00 -1.26 -4.73 119.66 119.32 1rov s GLN 392 Ca 0.01 0.33 0.20 0.00 -0.00 0.00 0.00 55.36 55.91 1rov s GLN 392 Cb 0.03 -2.07 0.53 0.00 0.00 0.00 0.00 33.01 31.49 1rov s GLN 392 CO 0.16 -1.00 1.44 0.28 0.00 0.00 0.00 175.29 176.17 1rov n VAL 393 N -2.93 0.87 0.17 3.63 0.31 -1.26 -3.01 118.33 116.11 1rov n VAL 393 Ca 0.06 -0.94 0.06 0.00 -0.01 0.00 0.00 64.34 63.51 1rov n VAL 393 Cb 0.57 0.62 0.28 0.00 -0.91 0.00 0.00 33.84 34.40 1rov n VAL 393 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1rov n TYR 394 N 1.39 0.31 0.00 3.52 4.11 -1.26 -3.43 117.16 121.79 1rov n TYR 394 Ca 0.21 0.15 0.00 0.00 -0.00 0.00 0.00 57.90 58.25 1rov n TYR 394 Cb 0.58 -0.74 0.00 0.00 -0.00 0.00 0.00 39.34 39.18 1rov n TYR 394 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1rov n GLY 395 N -1.05 0.98 0.15 -7.48 0.00 -1.22 -3.67 105.19 92.90 1rov n GLY 395 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1rov n GLY 395 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rov n ASP 396 N -0.51 1.90 0.00 1.61 9.92 -1.16 -3.63 116.55 124.68 1rov n ASP 396 Ca 0.00 0.33 0.00 0.00 -0.53 0.00 0.00 54.79 54.59 1rov n ASP 396 Cb 0.00 -0.78 0.00 0.00 -0.64 0.00 0.00 41.12 39.70 1rov n ASP 396 CO 0.00 0.00 0.00 1.57 0.13 0.00 0.00 177.20 178.90 1rov n HIS 397 N -4.27 0.00 -3.87 1.24 -0.00 -1.26 -4.72 115.22 102.34 1rov n HIS 397 Ca -0.42 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 57.69 1rov n HIS 397 Cb 0.77 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 30.62 1rov n HIS 397 CO 0.00 0.00 0.00 -2.37 0.46 0.00 0.00 176.34 174.43 1rov n THR 398 N 0.00 0.00 -1.90 3.57 5.66 -1.22 -3.10 114.28 117.29 1rov n THR 398 Ca 0.00 -0.88 -0.36 0.00 -3.05 0.00 0.00 64.05 59.76 1rov n THR 398 Cb 0.00 0.52 0.05 0.00 -1.55 0.00 0.00 70.33 69.34 1rov n THR 398 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1rov s SER 399 N -2.01 4.98 -0.04 1.09 0.15 -0.23 -4.55 113.70 113.10 1rov s SER 399 Ca 0.14 2.42 0.21 0.00 0.70 0.00 0.00 55.95 59.42 1rov s SER 399 Cb -0.00 -2.60 0.66 0.00 -1.71 0.00 0.00 66.02 62.37 1rov s SER 399 CO 0.10 -1.74 1.56 0.00 1.20 0.00 0.00 173.24 174.37 1rov n GLN 400 N -1.78 3.00 -2.33 5.44 6.02 -1.26 -4.71 117.38 121.77 1rov n GLN 400 Ca 0.14 -2.66 -0.40 0.00 -0.01 0.00 0.00 57.00 54.06 1rov n GLN 400 Cb 0.49 -1.67 -0.03 0.00 1.02 0.00 0.00 30.24 30.05 1rov n GLN 400 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1rov s ILE 401 N -1.30 3.17 0.31 5.09 1.01 -1.26 -4.96 121.20 123.26 1rov s ILE 401 Ca 0.49 1.18 0.10 0.00 0.00 0.00 0.00 60.65 62.42 1rov s ILE 401 Cb 0.27 -3.75 -0.06 0.00 0.01 0.00 0.00 42.46 38.93 1rov s ILE 401 CO 0.30 0.28 -0.13 -0.89 0.00 0.00 0.00 174.94 174.50 1rov s THR 402 N -1.16 2.23 0.45 2.92 2.01 -1.26 -4.77 115.64 116.07 1rov s THR 402 Ca 0.46 -2.27 0.17 0.00 0.31 0.00 0.00 61.69 60.36 1rov s THR 402 Cb -0.35 -2.47 0.20 0.00 0.01 0.00 0.00 72.50 69.89 1rov s THR 402 CO 0.46 -0.30 2.01 0.11 -0.69 0.00 0.00 174.62 176.20 1rov h LYS 403 N 2.17 0.00 0.00 4.92 1.57 -1.96 -1.89 116.57 121.37 1rov h LYS 403 Ca -0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 1rov h LYS 403 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1rov h LYS 403 CO 0.66 0.17 0.00 1.49 -0.57 0.00 0.00 179.45 181.20 1rov h GLU 404 N 0.00 0.00 -0.24 3.15 4.22 -2.00 -2.16 114.58 117.55 1rov h GLU 404 Ca -0.00 0.00 -0.04 0.00 0.08 0.00 0.00 59.36 59.40 1rov h GLU 404 Cb 0.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1rov h GLU 404 CO 0.02 0.00 -0.03 0.45 -2.18 0.00 0.00 179.01 177.28 1rov h HIS 405 N 0.00 0.37 -2.82 0.92 3.86 -1.76 -3.44 115.15 112.28 1rov h HIS 405 Ca 0.00 -0.03 -0.65 0.00 -1.16 0.00 0.00 60.37 58.53 1rov h HIS 405 Cb 0.93 -0.11 -0.08 0.00 1.06 0.00 0.00 27.41 29.21 1rov h HIS 405 CO 0.00 0.40 -0.45 -0.51 0.86 0.00 0.00 177.93 178.23 1rov s LEU 406 N -8.98 4.36 0.00 2.43 1.43 -0.81 -4.85 118.68 112.26 1rov s LEU 406 Ca -0.06 0.47 0.00 0.00 -1.03 0.00 0.00 54.13 53.51 1rov s LEU 406 Cb 0.16 -2.13 0.00 0.00 0.03 0.00 0.00 46.19 44.25 1rov s LEU 406 CO 0.74 0.35 0.00 -0.62 0.23 0.00 0.00 176.35 177.05 1rov n GLU 407 N 2.33 0.00 0.00 1.70 4.71 -1.26 -4.92 120.64 123.19 1rov n GLU 407 Ca -0.18 0.33 0.06 0.00 -0.01 0.00 0.00 57.16 57.36 1rov n GLU 407 Cb 0.54 -0.63 0.03 0.00 -1.01 0.00 0.00 31.44 30.36 1rov n GLU 407 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 1rov n PRO 408 N 0.40 1.25 0.00 3.49 -0.05 -1.26 -4.92 135.00 133.91 1rov n PRO 408 Ca 0.00 -0.96 0.00 0.00 -0.05 0.00 0.00 63.50 62.49 1rov n PRO 408 Cb 0.00 -1.18 0.00 0.00 -0.05 0.00 0.00 33.50 32.27 1rov n PRO 408 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 175.50 173.74 1rov n ASN 409 N 0.27 0.00 -1.83 3.54 4.05 -1.26 -5.15 115.26 114.89 1rov n ASN 409 Ca 0.06 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.09 1rov n ASN 409 Cb 0.27 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.28 1rov n ASN 409 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 177.26 174.10 1rov n LEU 410 N 0.00 0.00 -0.86 1.20 7.94 -1.26 -5.00 117.00 119.02 1rov n LEU 410 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1rov n LEU 410 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1rov n LEU 410 CO 0.00 -0.39 0.28 1.21 -1.11 0.00 0.00 177.39 177.38 1rov n GLU 411 N -0.77 0.65 -3.98 1.96 4.07 -1.26 -4.78 120.64 116.53 1rov n GLU 411 Ca 0.00 0.00 -0.32 0.00 -0.06 0.00 0.00 57.16 56.78 1rov n GLU 411 Cb 0.00 -1.22 0.02 0.00 -0.06 0.00 0.00 31.44 30.18 1rov n GLU 411 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1rov n GLY 412 N 0.53 -0.49 3.92 8.31 0.00 -1.26 -4.97 105.19 111.23 1rov n GLY 412 Ca 0.00 0.18 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 1rov n GLY 412 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rov s LEU 413 N -7.29 3.98 0.97 0.99 1.02 -1.26 -5.14 118.68 111.96 1rov s LEU 413 Ca 0.69 0.66 -0.14 0.00 0.02 0.00 0.00 54.13 55.36 1rov s LEU 413 Cb -0.35 -3.51 0.17 0.00 0.02 0.00 0.00 46.19 42.52 1rov s LEU 413 CO 0.85 -0.28 1.14 0.42 0.02 0.00 0.00 176.35 178.50 1rov s THR 414 N -2.25 1.94 0.14 5.49 -4.23 -1.26 -4.91 115.64 110.57 1rov s THR 414 Ca 0.43 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.80 1rov s THR 414 Cb -0.10 -2.70 0.02 0.00 1.34 0.00 0.00 72.50 71.06 1rov s THR 414 CO 0.34 0.00 1.67 0.58 -0.54 0.00 0.00 174.62 176.67 1rov h VAL 415 N -1.73 1.22 -0.63 2.29 2.07 -1.92 -1.54 116.25 116.01 1rov h VAL 415 Ca -0.50 -0.74 0.06 0.00 0.82 0.00 0.00 66.70 66.34 1rov h VAL 415 Cb 1.32 0.83 -0.06 0.00 -1.52 0.00 0.00 31.29 31.86 1rov h VAL 415 CO 0.55 0.27 0.33 0.44 0.02 0.00 0.00 177.57 179.18 1rov h ASP 416 N 0.62 0.47 -0.26 0.57 3.32 -1.99 0.42 116.42 119.57 1rov h ASP 416 Ca 0.15 0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.15 1rov h ASP 416 Cb 0.26 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 1rov h ASP 416 CO -0.01 0.31 -0.13 -0.33 -1.72 0.00 0.00 179.24 177.36 1rov h GLU 417 N 0.61 0.67 -0.55 3.56 5.08 -1.89 0.78 114.58 122.85 1rov h GLU 417 Ca 0.29 -0.22 -0.10 0.00 -1.00 0.00 0.00 59.36 58.33 1rov h GLU 417 Cb 0.20 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1rov h GLU 417 CO -0.19 0.78 -0.05 0.00 -1.00 0.00 0.00 179.01 178.54 1rov h ALA 418 N 1.25 0.75 0.09 3.43 0.00 -0.17 -0.77 119.26 123.84 1rov h ALA 418 Ca 0.11 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1rov h ALA 418 Cb 0.57 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1rov h ALA 418 CO 0.04 0.62 -0.04 0.82 0.00 0.00 0.00 179.25 180.69 1rov h ILE 419 N 0.89 1.12 -0.96 0.00 1.08 -0.68 0.15 117.51 119.12 1rov h ILE 419 Ca 0.15 -0.81 0.08 0.00 -0.39 0.00 0.00 64.86 63.89 1rov h ILE 419 Cb 0.61 1.63 -0.07 0.00 -3.07 0.00 0.00 36.82 35.92 1rov h ILE 419 CO 0.04 0.20 0.60 -0.61 -0.69 0.00 0.00 178.15 177.69 1rov h GLN 420 N -0.49 1.02 -0.70 2.37 -0.00 -0.60 0.52 115.11 117.23 1rov h GLN 420 Ca -0.01 -0.06 0.00 0.00 -0.00 0.00 0.00 58.65 58.58 1rov h GLN 420 Cb 0.41 -0.23 0.00 0.00 0.00 0.00 0.00 27.48 27.66 1rov h GLN 420 CO 0.02 0.67 0.00 0.09 0.00 0.00 0.00 178.83 179.61 1rov n ASN 421 N -4.58 2.25 -4.04 -0.69 3.02 -0.32 -4.91 115.26 106.00 1rov n ASN 421 Ca 0.15 -2.23 -0.28 0.00 -0.03 0.00 0.00 54.58 52.20 1rov n ASN 421 Cb 0.23 -0.46 -0.04 0.00 -0.61 0.00 0.00 39.78 38.91 1rov n ASN 421 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1rov n LYS 422 N 0.21 -2.50 0.00 3.52 5.02 0.18 -4.90 118.16 119.69 1rov n LYS 422 Ca 0.09 0.32 0.03 0.00 -2.02 0.00 0.00 58.31 56.73 1rov n LYS 422 Cb 0.47 -4.20 0.02 0.00 -0.02 0.00 0.00 35.03 31.30 1rov n LYS 422 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1rov n ARG 423 N -4.46 0.74 -4.53 1.97 1.74 0.00 -4.81 116.66 107.31 1rov n ARG 423 Ca -0.30 -0.76 -0.33 0.00 -0.77 0.00 0.00 57.85 55.68 1rov n ARG 423 Cb 0.68 -1.08 -0.11 0.00 -1.02 0.00 0.00 32.46 30.94 1rov n ARG 423 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1rov s LEU 424 N -0.84 3.23 0.08 0.55 1.43 -1.25 -1.58 118.68 120.29 1rov s LEU 424 Ca 0.07 -0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.14 1rov s LEU 424 Cb 0.06 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.48 1rov s LEU 424 CO 0.11 0.34 -0.06 -0.36 0.23 0.00 0.00 176.35 176.61 1rov s PHE 425 N -0.89 0.77 0.00 0.29 0.40 -0.35 -1.64 117.98 116.55 1rov s PHE 425 Ca 0.14 -0.90 -0.00 0.00 -0.60 0.00 0.00 56.93 55.58 1rov s PHE 425 Cb -0.11 -0.47 -0.00 0.00 0.51 0.00 0.00 43.02 42.95 1rov s PHE 425 CO 0.04 -0.20 -0.00 -1.17 0.70 0.00 0.00 175.22 174.59 1rov s LEU 426 N -2.82 2.02 -0.28 -0.37 2.96 0.24 -1.34 118.68 119.08 1rov s LEU 426 Ca 0.08 -0.03 -0.01 0.00 -0.22 0.00 0.00 54.13 53.95 1rov s LEU 426 Cb 0.04 0.01 0.05 0.00 0.50 0.00 0.00 46.19 46.78 1rov s LEU 426 CO -0.05 -0.02 -0.04 -0.22 -1.32 0.00 0.00 176.35 174.70 1rov s LEU 427 N -0.10 3.62 -0.31 -0.68 0.20 -0.66 -1.09 118.68 119.66 1rov s LEU 427 Ca -0.01 -1.20 -0.02 0.00 0.69 0.00 0.00 54.13 53.59 1rov s LEU 427 Cb -0.01 -1.66 0.05 0.00 -0.43 0.00 0.00 46.19 44.14 1rov s LEU 427 CO -0.00 -0.21 0.02 -0.62 -0.29 0.00 0.00 176.35 175.24 1rov s ASP 428 N 1.24 4.93 -0.29 3.68 -1.08 -1.26 -1.08 116.67 122.80 1rov s ASP 428 Ca -0.05 -1.31 0.08 0.00 -0.52 0.00 0.00 52.55 50.75 1rov s ASP 428 Cb -0.19 -1.72 0.46 0.00 -1.46 0.00 0.00 42.92 40.01 1rov s ASP 428 CO -0.03 -0.28 1.18 1.41 0.52 0.00 0.00 175.17 177.98 1rov n HIS 429 N 4.63 2.70 -0.07 -5.34 8.25 -0.12 -4.87 115.22 120.39 1rov n HIS 429 Ca -0.12 -2.24 -0.06 0.00 -0.26 0.00 0.00 57.72 55.04 1rov n HIS 429 Cb 0.43 -0.33 -0.03 0.00 1.12 0.00 0.00 29.99 31.18 1rov n HIS 429 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1rov h HIS 430 N 2.21 0.00 -0.64 4.41 6.17 -1.86 -2.67 115.15 122.76 1rov h HIS 430 Ca 0.35 0.00 -0.09 0.00 0.71 0.00 0.00 60.37 61.34 1rov h HIS 430 Cb 1.52 0.00 -0.02 0.00 2.52 0.00 0.00 27.41 31.42 1rov h HIS 430 CO 0.83 0.23 0.06 -0.44 0.71 0.00 0.00 177.93 179.32 1rov h ASP 431 N -1.00 1.06 -0.50 3.26 3.45 -1.91 -3.03 116.42 117.74 1rov h ASP 431 Ca -0.04 -0.28 -0.11 0.00 0.43 0.00 0.00 57.03 57.03 1rov h ASP 431 Cb 0.52 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 38.99 1rov h ASP 431 CO -0.03 1.07 -0.10 1.55 -1.57 0.00 0.00 179.24 180.17 1rov h PRO 432 N 1.01 0.95 0.00 3.56 0.13 -1.95 -3.29 132.00 132.41 1rov h PRO 432 Ca 0.19 -0.35 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1rov h PRO 432 Cb 0.49 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.56 1rov h PRO 432 CO 0.02 1.02 -0.30 0.97 -0.23 0.00 0.00 178.00 179.48 1rov h ILE 433 N 0.81 0.00 0.33 -3.56 2.10 -1.83 -3.39 117.51 111.97 1rov h ILE 433 Ca 0.13 -0.89 -0.01 0.00 1.08 0.00 0.00 64.86 65.18 1rov h ILE 433 Cb 0.65 1.73 -0.02 0.00 -1.09 0.00 0.00 36.82 38.09 1rov h ILE 433 CO 0.05 0.00 -0.41 -0.03 -1.08 0.00 0.00 178.15 176.67 1rov h MET 434 N 0.00 -0.74 0.00 2.19 4.05 -1.59 -1.31 114.93 117.53 1rov h MET 434 Ca 0.00 0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.47 1rov h MET 434 Cb 0.94 0.17 0.00 0.00 -0.80 0.00 0.00 31.60 31.91 1rov h MET 434 CO 0.00 -0.49 0.20 -2.30 0.23 0.00 0.00 176.91 174.55 1rov n PRO 435 N -4.89 0.07 -0.14 0.39 -0.02 -1.26 -0.42 135.00 128.74 1rov n PRO 435 Ca -0.09 0.52 0.04 0.00 -2.02 0.00 0.00 63.50 61.95 1rov n PRO 435 Cb 0.36 -1.94 0.12 0.00 -0.02 0.00 0.00 33.50 32.02 1rov n PRO 435 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1rov n TYR 436 N -1.88 0.36 -0.04 6.00 4.02 -0.56 -4.73 117.16 120.33 1rov n TYR 436 Ca -0.01 -0.50 -0.16 0.00 -0.01 0.00 0.00 57.90 57.23 1rov n TYR 436 Cb 0.22 -0.03 -0.07 0.00 -0.02 0.00 0.00 39.34 39.44 1rov n TYR 436 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 1rov h LEU 437 N 1.58 0.73 -0.33 7.72 5.85 -0.07 -1.12 115.31 129.67 1rov h LEU 437 Ca 0.00 -0.60 0.07 0.00 0.84 0.00 0.00 57.88 58.20 1rov h LEU 437 Cb 0.68 -0.21 -0.08 0.00 0.37 0.00 0.00 40.66 41.41 1rov h LEU 437 CO 0.00 1.21 -0.22 0.08 -0.34 0.00 0.00 178.44 179.17 1rov h ARG 438 N 0.30 -0.17 -0.49 1.25 0.11 -1.85 0.38 114.38 113.92 1rov h ARG 438 Ca -0.02 0.01 -0.06 0.00 0.10 0.00 0.00 59.98 60.02 1rov h ARG 438 Cb 1.14 0.04 -0.02 0.00 1.11 0.00 0.00 29.97 32.24 1rov h ARG 438 CO 0.11 -0.11 0.08 0.00 0.10 0.00 0.00 179.97 180.15 1rov h ARG 439 N -0.17 0.80 -0.28 0.08 3.08 -1.84 -3.11 114.38 112.94 1rov h ARG 439 Ca 0.17 -0.21 -0.15 0.00 0.07 0.00 0.00 59.98 59.86 1rov h ARG 439 Cb 0.44 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 1rov h ARG 439 CO -0.44 0.80 -0.43 0.82 -1.07 0.00 0.00 179.97 179.66 1rov h ILE 440 N 0.68 1.29 0.00 2.04 2.04 -0.56 -2.88 117.51 120.13 1rov h ILE 440 Ca 0.15 -1.61 0.00 0.00 1.00 0.00 0.00 64.86 64.40 1rov h ILE 440 Cb 0.38 1.54 0.00 0.00 -0.74 0.00 0.00 36.82 38.00 1rov h ILE 440 CO 0.01 0.52 0.00 0.59 0.00 0.00 0.00 178.15 179.27 1rov n ASN 441 N -4.02 0.00 -0.23 1.72 5.03 0.13 -1.89 115.26 115.99 1rov n ASN 441 Ca -0.02 -0.36 0.12 0.00 0.87 0.00 0.00 54.58 55.19 1rov n ASN 441 Cb 0.54 -0.11 0.20 0.00 -1.02 0.00 0.00 39.78 39.40 1rov n ASN 441 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1rov n ALA 442 N -1.11 3.48 -2.07 5.41 0.00 -1.09 -4.83 120.51 120.31 1rov n ALA 442 Ca 0.12 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1rov n ALA 442 Cb 0.09 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.54 1rov n ALA 442 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1rov n THR 443 N -0.75 0.00 0.25 0.00 -2.24 -0.79 -4.96 114.28 105.78 1rov n THR 443 Ca 0.09 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.99 1rov n THR 443 Cb 0.37 -1.35 0.66 0.00 -2.10 0.00 0.00 70.33 67.91 1rov n THR 443 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1rov h SER 444 N 0.00 0.00 -3.85 3.42 4.64 -1.90 -3.44 113.55 112.42 1rov h SER 444 Ca 0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 1rov h SER 444 Cb 0.00 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.13 1rov h SER 444 CO 0.00 0.15 0.54 -0.89 -0.87 0.00 0.00 176.83 175.76 1rov s THR 445 N -4.04 3.14 -0.10 2.95 2.01 -1.26 -4.67 115.64 113.67 1rov s THR 445 Ca -0.02 1.13 -0.01 0.00 0.31 0.00 0.00 61.69 63.09 1rov s THR 445 Cb 0.12 -3.71 0.03 0.00 0.01 0.00 0.00 72.50 68.96 1rov s THR 445 CO 0.60 0.25 -0.02 -0.54 -0.69 0.00 0.00 174.62 174.22 1rov s LYS 446 N -1.69 0.86 0.09 4.92 -0.14 -0.84 -4.08 119.74 118.86 1rov s LYS 446 Ca 0.48 -0.05 0.03 0.00 -1.36 0.00 0.00 55.97 55.07 1rov s LYS 446 Cb -0.35 -1.27 -0.03 0.00 -1.68 0.00 0.00 37.83 34.50 1rov s LYS 446 CO 0.46 -0.33 -0.09 0.00 -0.76 0.00 0.00 175.35 174.62 1rov s ALA 447 N 1.89 1.00 0.25 5.17 0.00 -1.26 -3.95 121.76 124.86 1rov s ALA 447 Ca 0.04 -1.13 0.10 0.00 0.00 0.00 0.00 51.96 50.97 1rov s ALA 447 Cb -0.13 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 1rov s ALA 447 CO -0.06 -0.05 -0.03 0.71 0.00 0.00 0.00 175.76 176.32 1rov s TYR 448 N -2.37 2.66 -0.20 0.00 2.02 -1.26 -4.93 117.35 113.27 1rov s TYR 448 Ca 0.03 -0.23 -0.14 0.00 -0.37 0.00 0.00 57.07 56.37 1rov s TYR 448 Cb -0.03 -1.20 -0.04 0.00 -0.40 0.00 0.00 41.96 40.28 1rov s TYR 448 CO -0.01 0.61 0.29 0.00 -1.57 0.00 0.00 175.55 174.88 1rov s ALA 449 N -2.23 3.59 0.09 3.71 0.00 -0.53 -4.91 121.76 121.48 1rov s ALA 449 Ca 0.30 -0.60 0.07 0.00 0.00 0.00 0.00 51.96 51.73 1rov s ALA 449 Cb -0.07 -2.46 -0.03 0.00 0.00 0.00 0.00 23.12 20.56 1rov s ALA 449 CO 0.19 -0.12 -0.17 0.95 0.00 0.00 0.00 175.76 176.61 1rov s THR 450 N 0.92 1.39 0.09 0.00 -4.23 -1.01 -0.70 115.64 112.11 1rov s THR 450 Ca 0.15 -1.47 0.05 0.00 -1.18 0.00 0.00 61.69 59.24 1rov s THR 450 Cb -0.14 -1.34 -0.03 0.00 1.34 0.00 0.00 72.50 72.33 1rov s THR 450 CO 0.05 -0.19 -0.14 -0.13 -0.54 0.00 0.00 174.62 173.67 1rov s ARG 451 N -1.97 0.87 -0.03 3.99 0.52 -0.62 -0.95 118.95 120.76 1rov s ARG 451 Ca 0.03 -1.04 0.01 0.00 -0.52 0.00 0.00 55.73 54.21 1rov s ARG 451 Cb -0.09 -0.83 0.02 0.00 0.52 0.00 0.00 34.95 34.57 1rov s ARG 451 CO 0.03 0.17 -0.04 -0.08 0.02 0.00 0.00 175.30 175.41 1rov s THR 452 N -1.57 0.46 -0.10 0.02 -1.32 -0.24 -0.63 115.64 112.26 1rov s THR 452 Ca 0.01 -0.11 0.01 0.00 -1.21 0.00 0.00 61.69 60.39 1rov s THR 452 Cb -0.08 -0.48 -0.02 0.00 -1.51 0.00 0.00 72.50 70.41 1rov s THR 452 CO 0.02 0.19 -0.11 -0.63 -2.21 0.00 0.00 174.62 171.88 1rov s ILE 453 N 0.73 3.28 0.14 5.08 1.01 -0.26 -1.66 121.20 129.52 1rov s ILE 453 Ca -0.09 -0.61 0.07 0.00 0.00 0.00 0.00 60.65 60.02 1rov s ILE 453 Cb -0.12 -2.35 -0.04 0.00 0.01 0.00 0.00 42.46 39.96 1rov s ILE 453 CO -0.00 0.55 -0.16 -0.76 0.00 0.00 0.00 174.94 174.58 1rov s LEU 454 N -0.19 2.42 0.00 2.97 1.02 -0.45 -0.04 118.68 124.41 1rov s LEU 454 Ca 0.01 -0.84 0.05 0.00 0.02 0.00 0.00 54.13 53.38 1rov s LEU 454 Cb -0.13 -0.66 -0.02 0.00 0.02 0.00 0.00 46.19 45.40 1rov s LEU 454 CO 0.03 -0.10 -0.16 0.12 0.02 0.00 0.00 176.35 176.25 1rov s PHE 455 N -2.13 1.43 -0.30 0.29 5.36 0.95 -1.22 117.98 122.37 1rov s PHE 455 Ca 0.12 -0.30 -0.20 0.00 -0.96 0.00 0.00 56.93 55.59 1rov s PHE 455 Cb -0.05 -0.90 -0.01 0.00 -0.34 0.00 0.00 43.02 41.72 1rov s PHE 455 CO 0.04 0.00 0.63 -1.17 -1.46 0.00 0.00 175.22 173.27 1rov s LEU 456 N -0.60 4.13 1.04 6.12 2.96 -0.62 -0.65 118.68 131.06 1rov s LEU 456 Ca 0.05 0.46 -0.13 0.00 -0.22 0.00 0.00 54.13 54.30 1rov s LEU 456 Cb -0.07 -2.83 0.21 0.00 0.50 0.00 0.00 46.19 44.01 1rov s LEU 456 CO 0.00 -0.47 1.08 -0.54 -1.32 0.00 0.00 176.35 175.10 1rov s LYS 457 N 2.61 0.10 0.36 1.98 1.02 0.12 -4.91 119.74 121.01 1rov s LYS 457 Ca 0.25 0.50 0.27 0.00 0.02 0.00 0.00 55.97 57.02 1rov s LYS 457 Cb -0.15 -1.70 1.19 0.00 -0.52 0.00 0.00 37.83 36.65 1rov s LYS 457 CO 0.11 -2.95 1.81 -0.97 -0.92 0.00 0.00 175.35 172.43 1rov h ASN 458 N -2.05 0.00 0.02 2.83 -0.00 -1.97 -2.96 115.58 111.45 1rov h ASN 458 Ca -0.56 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.74 1rov h ASN 458 Cb 1.33 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.65 1rov h ASN 458 CO 0.57 0.00 -0.01 -0.90 -0.00 0.00 0.00 177.43 177.08 1rov n ASP 459 N -2.49 0.92 0.00 1.15 5.75 -1.26 -4.90 116.55 115.72 1rov n ASP 459 Ca 0.01 -1.26 0.00 0.00 -0.01 0.00 0.00 54.79 53.53 1rov n ASP 459 Cb 0.21 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.30 1rov n ASP 459 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1rov n GLY 460 N 1.13 0.72 3.87 6.12 0.00 -1.12 -4.97 105.19 110.94 1rov n GLY 460 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 1rov n GLY 460 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rov s THR 461 N -2.80 4.78 0.01 2.61 -4.23 -1.26 -4.84 115.64 109.90 1rov s THR 461 Ca 0.00 -1.09 -0.06 0.00 -1.18 0.00 0.00 61.69 59.37 1rov s THR 461 Cb 0.00 -3.52 -0.05 0.00 1.34 0.00 0.00 72.50 70.27 1rov s THR 461 CO 0.00 -0.22 0.25 -0.22 -0.54 0.00 0.00 174.62 173.89 1rov s LEU 462 N -3.52 4.37 -0.02 4.79 2.96 -1.26 0.12 118.68 126.11 1rov s LEU 462 Ca 0.33 0.51 0.02 0.00 -0.22 0.00 0.00 54.13 54.76 1rov s LEU 462 Cb -0.09 -2.68 0.00 0.00 0.50 0.00 0.00 46.19 43.92 1rov s LEU 462 CO 0.26 0.25 -0.06 -0.60 -1.32 0.00 0.00 176.35 174.88 1rov s ARG 463 N -1.83 0.63 -0.06 1.98 3.52 0.17 -4.67 118.95 118.70 1rov s ARG 463 Ca 0.28 -0.20 -0.30 0.00 -0.13 0.00 0.00 55.73 55.38 1rov s ARG 463 Cb -0.13 -0.62 -0.02 0.00 -1.56 0.00 0.00 34.95 32.62 1rov s ARG 463 CO 0.17 0.08 1.01 -1.25 -0.81 0.00 0.00 175.30 174.49 1rov s PRO 464 N 0.18 4.47 -0.14 5.12 0.04 -1.26 -0.03 135.00 143.38 1rov s PRO 464 Ca -0.02 1.42 0.15 0.00 0.04 0.00 0.00 61.00 62.59 1rov s PRO 464 Cb -0.06 -3.51 -0.21 0.00 0.04 0.00 0.00 34.50 30.76 1rov s PRO 464 CO -0.00 -0.21 0.11 1.28 0.04 0.00 0.00 177.00 178.22 1rov n LEU 465 N 4.55 0.00 -3.63 -3.56 4.32 0.94 -4.71 117.00 114.91 1rov n LEU 465 Ca 0.08 0.00 -0.14 0.00 -0.02 0.00 0.00 56.01 55.93 1rov n LEU 465 Cb 0.49 0.33 -0.07 0.00 -1.62 0.00 0.00 43.42 42.56 1rov n LEU 465 CO 0.52 0.33 0.45 0.00 -1.22 0.00 0.00 177.39 177.48 1rov s ALA 466 N -2.53 -1.80 -0.09 -1.18 0.00 -1.14 -4.20 121.76 110.82 1rov s ALA 466 Ca -0.08 1.99 0.04 0.00 0.00 0.00 0.00 51.96 53.91 1rov s ALA 466 Cb 0.06 -1.17 0.00 0.00 0.00 0.00 0.00 23.12 22.01 1rov s ALA 466 CO 0.67 -0.33 -0.22 0.42 0.00 0.00 0.00 175.76 176.30 1rov s ILE 467 N 0.31 1.92 -0.15 0.00 1.09 0.76 -1.10 121.20 124.04 1rov s ILE 467 Ca -0.00 -0.94 -0.00 0.00 -1.10 0.00 0.00 60.65 58.61 1rov s ILE 467 Cb -0.05 -1.67 -0.01 0.00 -1.06 0.00 0.00 42.46 39.68 1rov s ILE 467 CO 0.01 0.53 -0.14 -0.70 -0.10 0.00 0.00 174.94 174.54 1rov s GLU 468 N 0.35 3.30 -0.24 2.79 2.12 0.20 -0.06 118.70 127.17 1rov s GLU 468 Ca -0.17 -0.72 -0.01 0.00 0.36 0.00 0.00 54.97 54.43 1rov s GLU 468 Cb -0.17 -2.64 0.03 0.00 0.26 0.00 0.00 34.13 31.60 1rov s GLU 468 CO 0.08 0.10 -0.09 -0.51 -0.54 0.00 0.00 175.26 174.29 1rov s LEU 469 N 0.64 3.01 0.08 2.70 1.43 -0.53 -1.59 118.68 124.42 1rov s LEU 469 Ca -0.08 -0.88 0.09 0.00 -1.03 0.00 0.00 54.13 52.24 1rov s LEU 469 Cb -0.16 -1.62 -0.03 0.00 0.03 0.00 0.00 46.19 44.42 1rov s LEU 469 CO 0.03 -0.11 -0.25 -0.44 0.23 0.00 0.00 176.35 175.80 1rov s SER 470 N 1.29 3.07 0.26 2.29 0.01 0.12 -0.85 113.70 119.89 1rov s SER 470 Ca 0.00 -0.64 0.03 0.00 1.31 0.00 0.00 55.95 56.66 1rov s SER 470 Cb -0.16 -0.24 -0.05 0.00 0.21 0.00 0.00 66.02 65.77 1rov s SER 470 CO -0.06 0.21 0.02 -0.76 0.41 0.00 0.00 173.24 173.05 1rov s LEU 471 N -1.54 2.14 0.57 2.44 1.02 0.18 -1.45 118.68 122.05 1rov s LEU 471 Ca 0.11 -1.27 -0.07 0.00 0.02 0.00 0.00 54.13 52.93 1rov s LEU 471 Cb -0.10 -0.28 -0.01 0.00 0.02 0.00 0.00 46.19 45.82 1rov s LEU 471 CO 0.03 -0.55 0.90 -2.16 0.02 0.00 0.00 176.35 174.59 1rov s PRO 472 N -3.88 3.16 -0.81 1.29 0.04 -1.26 -2.59 135.00 130.94 1rov s PRO 472 Ca 0.31 0.16 -0.14 0.00 0.04 0.00 0.00 61.00 61.37 1rov s PRO 472 Cb 0.06 -2.26 0.02 0.00 0.04 0.00 0.00 34.50 32.36 1rov s PRO 472 CO 0.11 -0.57 0.51 -2.39 0.04 0.00 0.00 177.00 174.69 1rov n HIS 473 N -2.54 -1.33 -0.11 0.56 1.44 -1.03 -4.74 115.22 107.46 1rov n HIS 473 Ca 0.04 0.34 -0.03 0.00 -2.01 0.00 0.00 57.72 56.06 1rov n HIS 473 Cb 0.56 -2.17 -0.03 0.00 0.12 0.00 0.00 29.99 28.48 1rov n HIS 473 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 1rov n PRO 474 N -3.24 -0.12 -4.47 -1.40 -0.04 -1.26 -2.91 135.00 121.57 1rov n PRO 474 Ca -0.17 0.68 -0.34 0.00 -0.04 0.00 0.00 63.50 63.62 1rov n PRO 474 Cb 0.50 -1.00 -0.11 0.00 -0.04 0.00 0.00 33.50 32.85 1rov n PRO 474 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1rov s GLN 475 N -4.10 3.04 1.33 0.54 1.11 -1.26 -5.06 119.66 115.26 1rov s GLN 475 Ca -0.03 -0.48 0.00 0.00 0.01 0.00 0.00 55.36 54.86 1rov s GLN 475 Cb 0.03 -2.75 0.00 0.00 -1.01 0.00 0.00 33.01 29.28 1rov s GLN 475 CO 0.16 0.60 0.00 0.41 0.01 0.00 0.00 175.29 176.47 1rov n GLY 476 N 2.45 1.15 0.00 3.09 0.00 -1.14 -4.60 105.19 106.13 1rov n GLY 476 Ca -0.18 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.13 1rov n GLY 476 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rov n ASP 477 N 2.25 0.00 -4.28 1.61 10.43 -1.26 -4.71 116.55 120.60 1rov n ASP 477 Ca 0.00 0.00 -0.26 0.00 2.57 0.00 0.00 54.79 57.10 1rov n ASP 477 Cb 0.00 0.00 -0.14 0.00 1.84 0.00 0.00 41.12 42.82 1rov n ASP 477 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 1rov s GLN 478 N 0.00 1.42 0.00 -1.24 -0.21 -1.26 -4.76 119.66 113.60 1rov s GLN 478 Ca 0.00 -1.03 0.00 0.00 0.02 0.00 0.00 55.36 54.35 1rov s GLN 478 Cb 0.00 -1.59 0.00 0.00 1.00 0.00 0.00 33.01 32.42 1rov s GLN 478 CO 0.00 0.40 0.00 0.45 -2.12 0.00 0.00 175.29 174.02 1rov n SER 479 N 1.67 0.00 -0.00 5.90 2.88 -1.26 -4.88 113.62 117.92 1rov n SER 479 Ca -0.18 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.43 1rov n SER 479 Cb 0.53 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.90 1rov n SER 479 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1rov n GLY 480 N 0.38 -0.42 3.72 0.46 0.00 -1.26 -4.68 105.19 103.39 1rov n GLY 480 Ca 0.00 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 1rov n GLY 480 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rov s ALA 481 N -2.61 3.21 -0.30 4.61 0.00 -1.26 -2.47 121.76 122.94 1rov s ALA 481 Ca -0.01 0.53 0.02 0.00 0.00 0.00 0.00 51.96 52.50 1rov s ALA 481 Cb 0.09 -3.28 0.09 0.00 0.00 0.00 0.00 23.12 20.01 1rov s ALA 481 CO 0.53 -0.12 0.03 0.12 0.00 0.00 0.00 175.76 176.31 1rov s PHE 482 N 0.50 2.72 0.11 0.00 5.36 -1.07 -4.88 117.98 120.73 1rov s PHE 482 Ca 0.49 -2.22 0.08 0.00 -0.96 0.00 0.00 56.93 54.31 1rov s PHE 482 Cb -0.22 -2.12 -0.04 0.00 -0.34 0.00 0.00 43.02 40.30 1rov s PHE 482 CO 0.28 -0.87 -0.20 -1.12 -1.46 0.00 0.00 175.22 171.85 1rov s SER 483 N 1.27 2.50 0.06 6.13 0.01 -1.26 -0.64 113.70 121.76 1rov s SER 483 Ca 0.05 -0.72 0.04 0.00 1.31 0.00 0.00 55.95 56.63 1rov s SER 483 Cb -0.18 -0.13 -0.03 0.00 0.21 0.00 0.00 66.02 65.88 1rov s SER 483 CO -0.12 0.03 -0.12 -1.10 0.41 0.00 0.00 173.24 172.33 1rov s GLN 484 N -2.08 0.73 -0.06 12.44 -0.21 -0.03 -4.98 119.66 125.46 1rov s GLN 484 Ca 0.08 -0.86 0.03 0.00 0.02 0.00 0.00 55.36 54.63 1rov s GLN 484 Cb -0.09 -0.66 -0.02 0.00 1.00 0.00 0.00 33.01 33.24 1rov s GLN 484 CO 0.05 0.14 -0.15 0.54 -2.12 0.00 0.00 175.29 173.75 1rov s VAL 485 N -1.24 2.96 -0.00 1.09 0.11 -1.26 -1.45 120.40 120.60 1rov s VAL 485 Ca -0.04 -0.75 0.07 0.00 -2.93 0.00 0.00 61.98 58.33 1rov s VAL 485 Cb -0.10 -2.16 -0.03 0.00 -1.53 0.00 0.00 36.38 32.56 1rov s VAL 485 CO 0.02 0.58 -0.21 -0.36 -3.33 0.00 0.00 175.10 171.80 1rov s PHE 486 N -0.51 2.49 0.08 1.54 0.40 0.92 -5.00 117.98 117.90 1rov s PHE 486 Ca 0.07 -0.31 0.07 0.00 -0.60 0.00 0.00 56.93 56.16 1rov s PHE 486 Cb -0.12 -1.51 -0.03 0.00 0.51 0.00 0.00 43.02 41.87 1rov s PHE 486 CO 0.01 0.12 -0.17 -0.51 0.70 0.00 0.00 175.22 175.37 1rov s LEU 487 N -0.95 2.26 0.45 -0.37 1.02 -1.26 -0.17 118.68 119.65 1rov s LEU 487 Ca 0.12 -0.62 -0.25 0.00 0.02 0.00 0.00 54.13 53.40 1rov s LEU 487 Cb -0.10 -0.72 -0.09 0.00 0.02 0.00 0.00 46.19 45.30 1rov s LEU 487 CO 0.01 0.01 1.27 -2.65 0.02 0.00 0.00 176.35 175.02 1rov n PRO 488 N 1.32 1.87 -3.74 1.29 -0.02 -1.26 -4.87 135.00 129.60 1rov n PRO 488 Ca -0.20 0.67 -0.12 0.00 -2.02 0.00 0.00 63.50 61.83 1rov n PRO 488 Cb 0.54 -2.40 -0.13 0.00 -0.02 0.00 0.00 33.50 31.49 1rov n PRO 488 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rov s ALA 489 N -1.22 -0.55 -0.19 3.55 0.00 -1.26 -5.05 121.76 117.03 1rov s ALA 489 Ca 0.63 0.94 0.22 0.00 0.00 0.00 0.00 51.96 53.75 1rov s ALA 489 Cb -0.49 -0.59 -0.25 0.00 0.00 0.00 0.00 23.12 21.79 1rov s ALA 489 CO 0.56 -0.18 0.64 -0.25 0.00 0.00 0.00 175.76 176.53 1rov n ASP 490 N 4.07 0.26 -4.03 0.00 8.00 -1.26 -4.20 116.55 119.38 1rov n ASP 490 Ca -0.24 -0.05 -0.15 0.00 0.71 0.00 0.00 54.79 55.06 1rov n ASP 490 Cb 0.54 1.59 -0.13 0.00 -0.02 0.00 0.00 41.12 43.09 1rov n ASP 490 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1rov s GLU 491 N -3.43 0.55 1.47 -1.24 2.02 -1.26 -4.91 118.70 111.91 1rov s GLU 491 Ca -0.05 -0.52 0.00 0.00 0.02 0.00 0.00 54.97 54.42 1rov s GLU 491 Cb 0.14 -0.44 0.00 0.00 0.10 0.00 0.00 34.13 33.92 1rov s GLU 491 CO 0.88 0.11 0.00 0.41 0.02 0.00 0.00 175.26 176.68 1rov n GLY 492 N 2.15 -1.78 0.39 -1.39 0.00 -1.26 -2.87 105.19 100.43 1rov n GLY 492 Ca -0.18 -1.36 0.18 0.00 0.00 0.00 0.00 46.02 44.66 1rov n GLY 492 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1rov h VAL 493 N 0.00 0.74 -0.64 1.61 2.07 -1.95 -0.38 116.25 117.70 1rov h VAL 493 Ca 0.00 -0.10 -0.05 0.00 0.82 0.00 0.00 66.70 67.37 1rov h VAL 493 Cb 0.00 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.17 1rov h VAL 493 CO 0.00 0.05 0.21 -0.33 0.02 0.00 0.00 177.57 177.52 1rov h GLU 494 N 0.29 0.97 0.00 1.57 3.07 -1.96 0.31 114.58 118.82 1rov h GLU 494 Ca 0.37 -0.18 -0.05 0.00 -0.50 0.00 0.00 59.36 59.00 1rov h GLU 494 Cb 1.02 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.77 1rov h GLU 494 CO -0.09 0.82 -0.23 0.66 -1.40 0.00 0.00 179.01 178.77 1rov h SER 495 N 0.94 0.00 0.13 1.42 4.64 -0.92 -1.43 113.55 118.33 1rov h SER 495 Ca 0.21 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.23 1rov h SER 495 Cb 0.25 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.37 1rov h SER 495 CO -0.01 0.23 -1.23 0.28 -0.87 0.00 0.00 176.83 175.23 1rov h SER 496 N 0.00 0.87 -0.67 4.97 0.02 -1.27 -2.11 113.55 115.36 1rov h SER 496 Ca -0.00 -0.80 0.09 0.00 -0.84 0.00 0.00 61.79 60.24 1rov h SER 496 Cb 0.62 -0.27 -0.07 0.00 0.14 0.00 0.00 62.40 62.82 1rov h SER 496 CO 0.03 1.60 0.32 0.40 -1.14 0.00 0.00 176.83 178.05 1rov h ILE 497 N 0.28 0.85 -0.73 3.27 1.08 -0.77 -1.68 117.51 119.81 1rov h ILE 497 Ca -0.18 -0.19 -0.02 0.00 -0.39 0.00 0.00 64.86 64.07 1rov h ILE 497 Cb 1.90 0.24 -0.03 0.00 -3.07 0.00 0.00 36.82 35.85 1rov h ILE 497 CO 0.24 0.10 0.38 -0.25 -0.69 0.00 0.00 178.15 177.93 1rov h TRP 498 N 0.56 1.01 0.00 1.37 2.91 -1.22 0.98 115.95 121.57 1rov h TRP 498 Ca 0.33 -0.03 -0.05 0.00 1.13 0.00 0.00 58.89 60.27 1rov h TRP 498 Cb 0.34 -0.32 -0.01 0.00 -0.51 0.00 0.00 29.16 28.66 1rov h TRP 498 CO -0.12 0.73 -0.23 1.25 -1.03 0.00 0.00 178.44 179.04 1rov h LEU 499 N 1.01 0.00 -0.06 0.65 5.85 -1.05 -1.95 115.31 119.75 1rov h LEU 499 Ca 0.25 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.72 1rov h LEU 499 Cb 0.06 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.11 1rov h LEU 499 CO -0.04 0.23 -0.99 -0.07 -0.34 0.00 0.00 178.44 177.23 1rov h LEU 500 N 0.00 0.86 -0.36 2.25 4.07 -0.68 -2.22 115.31 119.23 1rov h LEU 500 Ca -0.00 -0.67 0.03 0.00 0.08 0.00 0.00 57.88 57.32 1rov h LEU 500 Cb 0.41 -0.26 -0.03 0.00 1.08 0.00 0.00 40.66 41.86 1rov h LEU 500 CO 0.03 1.47 0.18 0.00 -1.08 0.00 0.00 178.44 179.03 1rov h ALA 501 N 0.48 0.44 -0.69 1.53 0.00 -0.18 -1.64 119.26 119.20 1rov h ALA 501 Ca -0.11 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1rov h ALA 501 Cb 1.63 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.33 1rov h ALA 501 CO 0.19 -0.19 0.44 0.87 0.00 0.00 0.00 179.25 180.56 1rov h LYS 502 N 0.36 0.85 -0.96 0.00 1.57 -1.38 -1.99 116.57 115.02 1rov h LYS 502 Ca 0.15 -0.05 0.07 0.00 -1.87 0.00 0.00 60.65 58.95 1rov h LYS 502 Cb 0.06 -0.19 -0.07 0.00 0.08 0.00 0.00 32.23 32.11 1rov h LYS 502 CO -0.11 0.56 0.61 0.00 -0.57 0.00 0.00 179.45 179.94 1rov h ALA 503 N 1.29 1.35 -0.47 3.86 0.00 -0.72 0.36 119.26 124.93 1rov h ALA 503 Ca 0.27 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1rov h ALA 503 Cb -0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1rov h ALA 503 CO -0.10 0.36 0.22 1.88 0.00 0.00 0.00 179.25 181.61 1rov h TYR 504 N 1.08 0.64 -0.19 0.00 0.05 -0.79 -1.04 116.97 116.72 1rov h TYR 504 Ca 0.43 -0.01 -0.06 0.00 0.05 0.00 0.00 58.73 59.13 1rov h TYR 504 Cb 0.22 -0.21 -0.00 0.00 1.01 0.00 0.00 36.73 37.75 1rov h TYR 504 CO -0.01 0.48 -0.12 0.28 -1.05 0.00 0.00 178.16 177.74 1rov h VAL 505 N 0.66 1.32 -0.44 -2.88 2.07 -0.43 -3.18 116.25 113.36 1rov h VAL 505 Ca 0.17 -1.21 -0.05 0.00 0.82 0.00 0.00 66.70 66.42 1rov h VAL 505 Cb 0.08 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 1rov h VAL 505 CO -0.02 0.37 0.06 0.58 0.02 0.00 0.00 177.57 178.58 1rov h VAL 506 N 0.10 1.21 -0.22 2.57 2.07 0.18 -0.66 116.25 121.50 1rov h VAL 506 Ca 0.04 -0.80 -0.09 0.00 0.82 0.00 0.00 66.70 66.67 1rov h VAL 506 Cb 0.62 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1rov h VAL 506 CO 0.03 0.29 -0.25 1.62 0.02 0.00 0.00 177.57 179.28 1rov h VAL 507 N 0.65 1.26 -0.10 2.57 3.04 -1.29 0.27 116.25 122.65 1rov h VAL 507 Ca 0.14 -1.22 -0.02 0.00 -1.01 0.00 0.00 66.70 64.59 1rov h VAL 507 Cb 0.31 1.36 -0.00 0.00 -2.01 0.00 0.00 31.29 30.95 1rov h VAL 507 CO 0.00 0.38 -0.03 0.78 -1.01 0.00 0.00 177.57 177.70 1rov h ASN 508 N 0.37 0.21 -0.50 3.17 -0.26 -1.36 -2.91 115.58 114.30 1rov h ASN 508 Ca 0.06 -0.38 -0.09 0.00 -0.56 0.00 0.00 56.30 55.33 1rov h ASN 508 Cb 0.64 -0.06 -0.02 0.00 -1.06 0.00 0.00 38.32 37.82 1rov h ASN 508 CO 0.05 0.54 -0.01 -0.78 -1.06 0.00 0.00 177.43 176.17 1rov h ASP 509 N -0.13 0.90 -0.31 5.81 3.58 -0.28 -2.32 116.42 123.67 1rov h ASP 509 Ca 0.03 -0.24 0.00 0.00 0.42 0.00 0.00 57.03 57.24 1rov h ASP 509 Cb 0.45 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.25 1rov h ASP 509 CO 0.01 0.97 0.20 0.28 -2.88 0.00 0.00 179.24 177.82 1rov h SER 510 N 0.86 0.35 -0.35 2.28 0.02 -0.51 0.44 113.55 116.64 1rov h SER 510 Ca 0.16 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 61.02 1rov h SER 510 Cb 0.51 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 1rov h SER 510 CO 0.03 0.26 -0.10 0.00 -1.14 0.00 0.00 176.83 175.87 1rov h TYR 512 N 0.47 0.66 -0.23 0.00 5.03 -1.16 -1.04 116.97 120.70 1rov h TYR 512 Ca 0.09 -0.14 -0.01 0.00 2.58 0.00 0.00 58.73 61.24 1rov h TYR 512 Cb 0.62 -0.16 -0.01 0.00 1.55 0.00 0.00 36.73 38.72 1rov h TYR 512 CO 0.05 0.77 0.08 1.25 -1.32 0.00 0.00 178.16 178.99 1rov h HIS 513 N 0.53 0.35 -0.25 -3.82 2.76 0.07 0.01 115.15 114.80 1rov h HIS 513 Ca 0.08 -0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.18 1rov h HIS 513 Cb 0.66 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.51 1rov h HIS 513 CO 0.03 0.40 -0.02 0.37 -1.30 0.00 0.00 177.93 177.41 1rov h GLN 514 N 0.21 0.46 0.18 5.26 5.75 -0.43 -1.08 115.11 125.47 1rov h GLN 514 Ca 0.08 -0.15 -0.30 0.00 -0.15 0.00 0.00 58.65 58.12 1rov h GLN 514 Cb 0.20 -0.04 0.02 0.00 1.07 0.00 0.00 27.48 28.73 1rov h GLN 514 CO -0.00 0.64 -1.36 -0.07 -2.65 0.00 0.00 178.83 175.38 1rov h LEU 515 N 0.22 0.61 0.00 -2.39 -0.00 -1.24 -3.36 115.31 109.16 1rov h LEU 515 Ca 0.07 -0.66 -0.07 0.00 -0.00 0.00 0.00 57.88 57.22 1rov h LEU 515 Cb 0.45 -0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 40.90 1rov h LEU 515 CO 0.02 1.52 -1.12 0.52 -0.00 0.00 0.00 178.44 179.38 1rov n VAL 516 N -3.61 1.43 0.07 1.22 0.31 -0.10 -1.25 118.33 116.41 1rov n VAL 516 Ca -0.12 0.09 -0.01 0.00 -0.01 0.00 0.00 64.34 64.28 1rov n VAL 516 Cb 1.06 -2.16 0.28 0.00 -0.91 0.00 0.00 33.84 32.10 1rov n VAL 516 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1rov h SER 517 N -0.85 0.32 -0.00 4.52 0.02 -0.80 -0.91 113.55 115.85 1rov h SER 517 Ca -0.11 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 1rov h SER 517 Cb 0.97 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.43 1rov h SER 517 CO -0.07 0.58 -0.07 1.57 -1.14 0.00 0.00 176.83 177.70 1rov n HIS 518 N -4.15 0.00 0.00 3.45 -0.00 -0.45 -4.35 115.22 109.71 1rov n HIS 518 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.71 1rov n HIS 518 Cb 0.37 -0.01 0.00 0.00 -0.00 0.00 0.00 29.99 30.35 1rov n HIS 518 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.34 176.23 1rov n LEU 520 N 0.63 0.00 0.20 0.27 7.94 -0.38 -1.87 117.00 123.79 1rov n LEU 520 Ca 0.15 0.00 0.14 0.00 -1.11 0.00 0.00 56.01 55.19 1rov n LEU 520 Cb 0.48 0.00 0.47 0.00 0.53 0.00 0.00 43.42 44.91 1rov n LEU 520 CO 0.18 0.00 0.90 0.78 -1.11 0.00 0.00 177.39 178.14 1rov h ASN 521 N 0.00 0.00 0.00 1.96 -0.26 -1.36 -2.05 115.58 113.87 1rov h ASN 521 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1rov h ASN 521 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 1rov h ASN 521 CO 0.00 0.00 0.00 0.41 -1.06 0.00 0.00 177.43 176.78 1rov n THR 522 N -2.74 0.00 -0.15 2.81 -1.04 -0.78 -4.74 114.28 107.64 1rov n THR 522 Ca 0.03 0.02 -0.11 0.00 -2.04 0.00 0.00 64.05 61.94 1rov n THR 522 Cb 0.36 -0.69 -0.06 0.00 -1.82 0.00 0.00 70.33 68.11 1rov n THR 522 CO 0.00 0.00 0.00 0.45 -0.64 0.00 0.00 175.07 174.88 1rov h HIS 523 N 0.00 -1.42 -0.28 -1.42 3.86 -1.76 -2.16 115.15 111.97 1rov h HIS 523 Ca 0.00 0.08 -0.15 0.00 -1.16 0.00 0.00 60.37 59.13 1rov h HIS 523 Cb 0.00 0.68 -0.00 0.00 1.06 0.00 0.00 27.41 29.15 1rov h HIS 523 CO 0.00 -0.46 -0.43 0.00 0.86 0.00 0.00 177.93 177.90 1rov h ALA 524 N 0.29 0.43 -0.02 2.45 0.00 -1.84 -3.16 119.26 117.42 1rov h ALA 524 Ca 0.12 -0.47 -0.12 0.00 0.00 0.00 0.00 54.91 54.45 1rov h ALA 524 Cb 0.59 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1rov h ALA 524 CO -0.60 0.55 -0.55 0.28 0.00 0.00 0.00 179.25 178.93 1rov h VAL 525 N 0.54 1.39 -0.10 0.00 2.07 -1.32 -3.15 116.25 115.68 1rov h VAL 525 Ca 0.03 -1.89 -0.20 0.00 0.82 0.00 0.00 66.70 65.46 1rov h VAL 525 Cb 1.03 2.00 -0.00 0.00 -1.52 0.00 0.00 31.29 32.79 1rov h VAL 525 CO 0.10 0.54 -0.75 0.58 0.02 0.00 0.00 177.57 178.06 1rov h VAL 526 N 0.04 1.35 -0.83 2.57 2.07 -1.42 -3.37 116.25 116.66 1rov h VAL 526 Ca -0.00 -2.10 0.18 0.00 0.82 0.00 0.00 66.70 65.59 1rov h VAL 526 Cb 0.99 2.08 -0.11 0.00 -1.52 0.00 0.00 31.29 32.73 1rov h VAL 526 CO 0.07 0.64 0.35 -0.08 0.02 0.00 0.00 177.57 178.58 1rov h GLU 527 N 0.35 0.43 0.00 1.57 4.81 -1.51 -1.49 114.58 118.74 1rov h GLU 527 Ca -0.04 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 1rov h GLU 527 Cb 1.34 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.62 1rov h GLU 527 CO 0.14 0.29 -0.13 -1.35 -0.73 0.00 0.00 179.01 177.22 1rov h PRO 528 N 0.45 0.00 -0.33 0.92 0.11 -1.73 -2.17 132.00 129.24 1rov h PRO 528 Ca 0.49 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.59 1rov h PRO 528 Cb 0.82 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.91 1rov h PRO 528 CO -0.46 0.13 0.17 0.74 -0.21 0.00 0.00 178.00 178.38 1rov h PHE 529 N 0.00 0.44 -0.07 0.65 0.04 -1.49 0.30 116.94 116.81 1rov h PHE 529 Ca -0.00 -0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.55 1rov h PHE 529 Cb 0.26 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 38.27 1rov h PHE 529 CO 0.00 0.32 -0.84 0.82 -0.60 0.00 0.00 178.31 178.01 1rov h ILE 530 N 0.46 1.35 0.26 -0.55 2.04 -1.39 -0.83 117.51 118.85 1rov h ILE 530 Ca 0.12 -2.20 -0.01 0.00 1.00 0.00 0.00 64.86 63.77 1rov h ILE 530 Cb 0.03 2.20 0.00 0.00 -0.74 0.00 0.00 36.82 38.31 1rov h ILE 530 CO -0.02 0.67 -0.12 0.40 0.00 0.00 0.00 178.15 179.08 1rov h ILE 531 N 0.34 0.78 -0.61 -0.67 2.04 -1.34 -1.58 117.51 116.46 1rov h ILE 531 Ca -0.06 -0.65 0.11 0.00 1.00 0.00 0.00 64.86 65.26 1rov h ILE 531 Cb 1.45 1.13 -0.08 0.00 -0.74 0.00 0.00 36.82 38.58 1rov h ILE 531 CO 0.15 0.13 0.18 0.00 0.00 0.00 0.00 178.15 178.62 1rov h ALA 532 N -0.09 0.77 0.32 1.87 0.00 -0.92 -1.19 119.26 120.02 1rov h ALA 532 Ca -0.04 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1rov h ALA 532 Cb 0.48 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1rov h ALA 532 CO 0.06 -0.25 -0.16 1.15 0.00 0.00 0.00 179.25 180.05 1rov h THR 533 N 0.33 0.70 -0.38 0.00 2.02 -1.09 -1.93 112.91 112.55 1rov h THR 533 Ca 0.32 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 67.32 1rov h THR 533 Cb 0.44 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 1rov h THR 533 CO -0.36 0.04 0.18 0.78 0.37 0.00 0.00 175.52 176.53 1rov h ASN 534 N -0.53 0.46 0.33 4.18 4.21 -1.14 -1.75 115.58 121.36 1rov h ASN 534 Ca -0.04 -0.03 -0.12 0.00 1.21 0.00 0.00 56.30 57.32 1rov h ASN 534 Cb 0.39 -0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 37.46 1rov h ASN 534 CO 0.07 0.40 -0.48 0.03 -1.29 0.00 0.00 177.43 176.16 1rov h ARG 535 N 0.53 0.18 0.00 0.81 3.08 -1.13 -3.40 114.38 114.44 1rov h ARG 535 Ca 0.13 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1rov h ARG 535 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1rov h ARG 535 CO -0.02 0.63 -0.58 0.72 -1.07 0.00 0.00 179.97 179.65 1rov n HIS 536 N -3.96 0.00 -4.29 3.04 8.25 -0.74 -4.75 115.22 112.77 1rov n HIS 536 Ca -0.02 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.10 1rov n HIS 536 Cb 0.52 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.50 1rov n HIS 536 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1rov s LEU 537 N -2.21 2.97 0.63 2.41 1.02 -0.67 -4.65 118.68 118.19 1rov s LEU 537 Ca 0.00 -0.29 -0.17 0.00 0.02 0.00 0.00 54.13 53.69 1rov s LEU 537 Cb 0.00 -1.72 -0.01 0.00 0.02 0.00 0.00 46.19 44.47 1rov s LEU 537 CO 0.00 0.09 1.16 -0.55 0.02 0.00 0.00 176.35 177.06 1rov s SER 538 N 0.84 5.09 0.64 2.29 0.15 -1.26 -4.61 113.70 116.83 1rov s SER 538 Ca -0.02 2.20 0.28 0.00 0.70 0.00 0.00 55.95 59.11 1rov s SER 538 Cb -0.15 -2.58 1.46 0.00 -1.71 0.00 0.00 66.02 63.05 1rov s SER 538 CO 0.01 -1.65 1.84 -0.37 1.20 0.00 0.00 173.24 174.28 1rov h VAL 539 N 0.44 0.14 0.00 4.45 -1.51 -1.94 0.13 116.25 117.96 1rov h VAL 539 Ca -0.49 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 1rov h VAL 539 Cb 1.27 0.60 0.00 0.00 -2.13 0.00 0.00 31.29 31.03 1rov h VAL 539 CO 0.54 0.00 -0.38 0.52 -1.23 0.00 0.00 177.57 177.02 1rov n VAL 540 N -3.18 0.11 -2.39 7.19 0.31 -1.26 -4.59 118.33 114.51 1rov n VAL 540 Ca 0.02 -0.07 -0.41 0.00 -0.01 0.00 0.00 64.34 63.87 1rov n VAL 540 Cb 0.55 -0.05 -0.03 0.00 -0.91 0.00 0.00 33.84 33.39 1rov n VAL 540 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 1rov s HIS 541 N -3.04 3.44 0.36 3.52 5.04 0.44 -1.10 115.29 123.94 1rov s HIS 541 Ca 0.11 1.45 0.09 0.00 -1.54 0.00 0.00 55.06 55.16 1rov s HIS 541 Cb 0.17 -3.41 0.82 0.00 0.04 0.00 0.00 32.58 30.19 1rov s HIS 541 CO 0.66 -1.13 1.88 -1.00 -2.34 0.00 0.00 174.74 172.81 1rov h PRO 542 N 5.18 0.67 -0.10 2.88 0.13 -1.88 -2.12 132.00 136.76 1rov h PRO 542 Ca -0.45 -0.04 -0.15 0.00 -0.87 0.00 0.00 66.00 64.50 1rov h PRO 542 Cb 1.21 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 1rov h PRO 542 CO 0.74 0.45 -0.58 0.82 -0.23 0.00 0.00 178.00 179.19 1rov h ILE 543 N 0.69 1.36 -0.23 -3.56 1.08 -1.93 -1.49 117.51 113.44 1rov h ILE 543 Ca 0.44 -1.91 0.00 0.00 -0.39 0.00 0.00 64.86 63.00 1rov h ILE 543 Cb 0.69 1.93 -0.01 0.00 -3.07 0.00 0.00 36.82 36.35 1rov h ILE 543 CO -0.20 0.57 0.14 0.22 -0.69 0.00 0.00 178.15 178.20 1rov h TYR 544 N 0.24 0.29 -0.17 1.37 5.03 -1.68 -1.52 116.97 120.54 1rov h TYR 544 Ca -0.00 0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.24 1rov h TYR 544 Cb 1.09 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 39.26 1rov h TYR 544 CO 0.03 0.21 -0.20 0.87 -1.32 0.00 0.00 178.16 177.74 1rov h LYS 545 N 0.29 0.29 -0.14 1.82 1.57 -1.10 0.29 116.57 119.60 1rov h LYS 545 Ca 0.08 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1rov h LYS 545 Cb -0.01 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1rov h LYS 545 CO -0.02 0.49 0.01 1.25 -0.57 0.00 0.00 179.45 180.61 1rov h LEU 546 N 0.27 0.24 0.00 2.94 5.85 -0.85 -3.31 115.31 120.44 1rov h LEU 546 Ca 0.05 -0.29 -0.19 0.00 0.84 0.00 0.00 57.88 58.29 1rov h LEU 546 Cb 0.51 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 1rov h LEU 546 CO 0.03 0.47 -1.02 -0.07 -0.34 0.00 0.00 178.44 177.51 1rov h LEU 547 N -0.00 0.00 -0.67 2.25 -0.00 -1.11 -3.40 115.31 112.38 1rov h LEU 547 Ca 0.04 0.00 0.14 0.00 -0.00 0.00 0.00 57.88 58.06 1rov h LEU 547 Cb 0.34 0.00 -0.10 0.00 -0.00 0.00 0.00 40.66 40.90 1rov h LEU 547 CO 0.01 0.82 0.14 -0.74 -0.00 0.00 0.00 178.44 178.66 1rov h HIS 548 N 0.00 0.21 0.00 1.13 2.76 -1.03 -0.83 115.15 117.40 1rov h HIS 548 Ca -0.07 0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.13 1rov h HIS 548 Cb 1.68 0.01 -0.00 0.00 1.55 0.00 0.00 27.41 30.65 1rov h HIS 548 CO 0.00 -0.07 -0.04 -1.00 -1.30 0.00 0.00 177.93 175.52 1rov h PRO 549 N 0.25 0.00 0.00 5.26 0.13 -1.78 -2.23 132.00 133.63 1rov h PRO 549 Ca 0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.50 1rov h PRO 549 Cb 0.59 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.72 1rov h PRO 549 CO -0.47 0.04 0.00 0.72 -0.23 0.00 0.00 178.00 178.06 1rov n HIS 550 N -3.81 0.00 0.36 1.56 8.25 -0.32 -3.17 115.22 118.09 1rov n HIS 550 Ca -0.03 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.50 1rov n HIS 550 Cb 0.13 -0.11 0.10 0.00 1.12 0.00 0.00 29.99 31.23 1rov n HIS 550 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1rov n TYR 551 N -1.11 0.17 -1.66 4.41 4.01 -0.84 -4.37 117.16 117.77 1rov n TYR 551 Ca 0.16 -0.14 -0.47 0.00 -0.16 0.00 0.00 57.90 57.29 1rov n TYR 551 Cb 0.13 -0.01 -0.04 0.00 -0.31 0.00 0.00 39.34 39.11 1rov n TYR 551 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 1rov n ARG 552 N 0.79 2.28 -0.81 -0.72 0.63 -1.19 -2.05 116.66 115.60 1rov n ARG 552 Ca 0.10 0.82 0.00 0.00 -0.92 0.00 0.00 57.85 57.85 1rov n ARG 552 Cb 0.39 -2.76 0.00 0.00 0.45 0.00 0.00 32.46 30.54 1rov n ARG 552 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1rov n ASP 553 N 7.34 -1.65 -0.03 6.15 2.03 -1.26 -4.35 116.55 124.78 1rov n ASP 553 Ca 0.23 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.43 1rov n ASP 553 Cb 0.33 -1.75 -0.05 0.00 -0.72 0.00 0.00 41.12 38.92 1rov n ASP 553 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1rov h THR 554 N 0.00 1.14 0.00 5.18 2.02 -1.46 -1.10 112.91 118.70 1rov h THR 554 Ca 0.00 -0.41 -0.06 0.00 0.77 0.00 0.00 66.41 66.71 1rov h THR 554 Cb 0.20 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 1rov h THR 554 CO 0.00 0.13 -0.26 0.24 0.37 0.00 0.00 175.52 176.00 1rov h MET 555 N 0.08 0.00 0.02 6.66 2.86 -1.86 -0.54 114.93 122.15 1rov h MET 555 Ca 0.05 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1rov h MET 555 Cb 0.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.81 1rov h MET 555 CO -0.00 0.26 -0.01 -0.97 1.06 0.00 0.00 176.91 177.25 1rov h ASN 556 N 0.00 -0.02 -0.16 1.22 -0.00 -1.66 -0.41 115.58 114.56 1rov h ASN 556 Ca -0.00 -0.30 -0.07 0.00 -0.00 0.00 0.00 56.30 55.93 1rov h ASN 556 Cb 0.48 0.01 -0.02 0.00 -0.00 0.00 0.00 38.32 38.78 1rov h ASN 556 CO 0.03 0.29 -0.12 -0.29 -0.00 0.00 0.00 177.43 177.34 1rov h ILE 557 N -0.33 1.23 -0.12 2.57 6.09 -0.86 -1.51 117.51 124.58 1rov h ILE 557 Ca -0.00 -1.04 -0.19 0.00 -1.37 0.00 0.00 64.86 62.26 1rov h ILE 557 Cb 0.32 1.14 -0.00 0.00 0.47 0.00 0.00 36.82 38.74 1rov h ILE 557 CO 0.00 0.34 -0.70 0.78 -3.07 0.00 0.00 178.15 175.51 1rov h ASN 558 N 0.48 0.63 -0.63 2.19 2.35 -1.05 -0.70 115.58 118.86 1rov h ASN 558 Ca 0.09 -0.40 -0.01 0.00 -0.55 0.00 0.00 56.30 55.44 1rov h ASN 558 Cb 0.51 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.66 1rov h ASN 558 CO 0.03 1.15 0.37 1.23 -1.65 0.00 0.00 177.43 178.56 1rov h GLY 559 N 1.05 0.92 1.61 2.83 0.00 -0.36 -0.32 103.07 108.80 1rov h GLY 559 Ca -0.03 -0.39 -0.11 0.00 0.00 0.00 0.00 47.33 46.80 1rov h GLY 559 CO 0.13 0.38 -0.36 -2.00 0.00 0.00 0.00 176.54 174.68 1rov h LEU 560 N 0.85 0.45 -0.86 3.11 5.85 -1.21 -2.75 115.31 120.76 1rov h LEU 560 Ca 0.23 -0.18 -0.11 0.00 0.84 0.00 0.00 57.88 58.65 1rov h LEU 560 Cb -0.01 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 1rov h LEU 560 CO -0.04 0.78 -0.33 0.00 -0.34 0.00 0.00 178.44 178.51 1rov h ALA 561 N 1.25 1.02 -0.73 1.25 0.00 -0.22 -0.17 119.26 121.66 1rov h ALA 561 Ca 0.04 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1rov h ALA 561 Cb 0.81 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1rov h ALA 561 CO 0.07 0.59 0.40 0.00 0.00 0.00 0.00 179.25 180.31 1rov h ARG 562 N 0.39 1.00 -0.09 0.00 3.08 -0.85 -0.96 114.38 116.95 1rov h ARG 562 Ca 0.05 -0.11 -0.22 0.00 0.07 0.00 0.00 59.98 59.77 1rov h ARG 562 Cb 0.77 -0.20 0.01 0.00 0.08 0.00 0.00 29.97 30.63 1rov h ARG 562 CO 0.06 0.73 -0.83 1.25 -1.07 0.00 0.00 179.97 180.12 1rov h LEU 563 N 1.01 0.77 -2.62 3.04 5.85 -1.14 -3.37 115.31 118.85 1rov h LEU 563 Ca 0.26 -0.54 -0.08 0.00 0.84 0.00 0.00 57.88 58.37 1rov h LEU 563 Cb 0.02 -0.23 -0.17 0.00 0.37 0.00 0.00 40.66 40.65 1rov h LEU 563 CO -0.04 1.32 -0.69 -1.20 -0.34 0.00 0.00 178.44 177.49 1rov n SER 564 N -3.87 0.80 -0.12 1.25 7.64 -0.13 -4.82 113.62 114.38 1rov n SER 564 Ca -0.07 -2.28 0.00 0.00 1.01 0.00 0.00 58.87 57.53 1rov n SER 564 Cb 0.77 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 1rov n SER 564 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1rov n VAL 566 N -0.02 0.00 -2.95 0.44 3.14 -0.37 -3.02 118.33 115.55 1rov n VAL 566 Ca 0.06 0.00 -0.25 0.00 -2.96 0.00 0.00 64.34 61.19 1rov n VAL 566 Cb 0.89 -0.20 -0.00 0.00 -1.06 0.00 0.00 33.84 33.46 1rov n VAL 566 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1rov s ASN 567 N 0.00 6.16 0.17 6.55 4.22 -1.26 -4.91 114.94 125.86 1rov s ASN 567 Ca 0.00 0.63 -0.23 0.00 -2.14 0.00 0.00 52.86 51.12 1rov s ASN 567 Cb 0.00 -2.01 0.04 0.00 1.28 0.00 0.00 41.25 40.56 1rov s ASN 567 CO 0.00 -0.53 1.38 -0.67 -2.04 0.00 0.00 177.10 175.24 1rov n ASP 568 N -2.08 -0.81 -0.20 3.54 2.03 0.05 0.57 116.55 119.64 1rov n ASP 568 Ca -0.01 1.58 0.08 0.00 0.52 0.00 0.00 54.79 56.96 1rov n ASP 568 Cb 0.56 -0.26 0.38 0.00 -0.72 0.00 0.00 41.12 41.08 1rov n ASP 568 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1rov n GLY 569 N -1.30 -0.53 1.21 0.27 0.00 -1.26 -4.91 105.19 98.67 1rov n GLY 569 Ca 0.05 -0.20 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 1rov n GLY 569 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rov n GLY 570 N 0.85 -2.49 0.13 -0.02 0.00 0.19 -4.55 105.19 99.31 1rov n GLY 570 Ca 0.12 -1.48 -0.03 0.00 0.00 0.00 0.00 46.02 44.63 1rov n GLY 570 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1rov h VAL 571 N -1.89 1.47 -0.10 1.61 3.04 -1.83 -2.23 116.25 116.32 1rov h VAL 571 Ca -0.14 -2.28 -0.04 0.00 -1.01 0.00 0.00 66.70 63.23 1rov h VAL 571 Cb 0.43 2.22 -0.00 0.00 -2.01 0.00 0.00 31.29 31.93 1rov h VAL 571 CO 0.09 0.66 -0.08 0.40 -1.01 0.00 0.00 177.57 177.62 1rov h ILE 572 N 0.04 1.35 -0.72 3.17 5.03 -1.91 -2.16 117.51 122.31 1rov h ILE 572 Ca -0.01 -1.21 0.03 0.00 -0.12 0.00 0.00 64.86 63.54 1rov h ILE 572 Cb 1.20 1.95 -0.04 0.00 -3.03 0.00 0.00 36.82 36.90 1rov h ILE 572 CO 0.09 0.34 0.46 -0.33 -0.68 0.00 0.00 178.15 178.03 1rov h GLU 573 N -0.18 0.88 0.00 2.37 5.08 -1.77 -2.21 114.58 118.75 1rov h GLU 573 Ca 0.02 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1rov h GLU 573 Cb 0.59 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1rov h GLU 573 CO 0.02 0.58 0.00 1.04 -1.00 0.00 0.00 179.01 179.65 1rov n GLN 574 N -4.63 0.08 0.00 2.33 6.02 -0.85 -4.26 117.38 116.07 1rov n GLN 574 Ca 0.08 0.19 0.00 0.00 -0.01 0.00 0.00 57.00 57.26 1rov n GLN 574 Cb 0.07 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.83 1rov n GLN 574 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1rov n THR 575 N -1.43 0.00 -3.89 5.09 -1.04 -0.82 -4.98 114.28 107.21 1rov n THR 575 Ca 0.05 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.84 1rov n THR 575 Cb 0.17 -0.57 -0.02 0.00 -1.82 0.00 0.00 70.33 68.09 1rov n THR 575 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1rov s PHE 576 N -1.94 3.46 0.21 -1.42 0.08 -0.91 -4.35 117.98 113.12 1rov s PHE 576 Ca 0.00 0.06 -0.11 0.00 0.12 0.00 0.00 56.93 57.01 1rov s PHE 576 Cb 0.00 -1.64 0.28 0.00 -0.57 0.00 0.00 43.02 41.09 1rov s PHE 576 CO 0.00 0.42 1.69 1.25 -0.10 0.00 0.00 175.22 178.48 1rov h LEU 577 N 1.35 -0.09 0.00 -0.37 5.85 -1.63 -2.50 115.31 117.91 1rov h LEU 577 Ca -0.51 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.33 1rov h LEU 577 Cb 1.22 0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.44 1rov h LEU 577 CO 0.63 -0.03 0.00 0.79 -0.34 0.00 0.00 178.44 179.48 1rov n TRP 578 N -5.18 0.00 0.00 1.25 8.01 -1.26 -4.89 117.44 115.37 1rov n TRP 578 Ca 0.08 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.27 1rov n TRP 578 Cb 0.33 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.63 1rov n TRP 578 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1rov n GLY 579 N 0.07 2.80 0.09 6.99 0.00 -0.94 -1.26 105.19 112.94 1rov n GLY 579 Ca 0.11 0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.20 1rov n GLY 579 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1rov n ARG 580 N 14.00 0.08 -0.20 1.61 1.85 -1.26 -1.97 116.66 130.77 1rov n ARG 580 Ca 0.00 0.57 0.08 0.00 -1.00 0.00 0.00 57.85 57.50 1rov n ARG 580 Cb 0.00 -1.75 0.19 0.00 -1.05 0.00 0.00 32.46 29.85 1rov n ARG 580 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1rov n TYR 581 N -1.92 0.53 0.02 2.89 4.01 -0.39 -4.67 117.16 117.62 1rov n TYR 581 Ca -0.01 -0.37 -0.11 0.00 -0.16 0.00 0.00 57.90 57.25 1rov n TYR 581 Cb 0.02 -0.01 -0.05 0.00 -0.31 0.00 0.00 39.34 39.00 1rov n TYR 581 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1rov h SER 582 N 3.13 -1.02 0.00 7.72 0.02 -1.35 0.30 113.55 122.35 1rov h SER 582 Ca 0.00 0.14 -0.20 0.00 -0.84 0.00 0.00 61.79 60.90 1rov h SER 582 Cb 0.81 0.43 0.02 0.00 0.14 0.00 0.00 62.40 63.80 1rov h SER 582 CO 0.00 -0.37 -0.77 0.58 -1.14 0.00 0.00 176.83 175.13 1rov h VAL 583 N -0.43 1.38 -0.94 2.27 2.07 -1.85 -2.40 116.25 116.36 1rov h VAL 583 Ca 0.08 -2.15 0.01 0.00 0.82 0.00 0.00 66.70 65.47 1rov h VAL 583 Cb 0.56 2.54 -0.05 0.00 -1.52 0.00 0.00 31.29 32.82 1rov h VAL 583 CO -0.33 0.64 0.62 -0.33 0.02 0.00 0.00 177.57 178.19 1rov h GLU 584 N 0.07 1.22 -0.31 1.57 5.08 -1.84 -1.41 114.58 118.96 1rov h GLU 584 Ca -0.10 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.17 1rov h GLU 584 Cb 1.46 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 1rov h GLU 584 CO 0.15 0.81 0.11 0.52 -1.00 0.00 0.00 179.01 179.60 1rov h MET 585 N 1.26 0.43 0.00 2.33 2.86 -0.31 -1.58 114.93 119.93 1rov h MET 585 Ca 0.35 -0.05 -0.09 0.00 -2.06 0.00 0.00 59.70 57.85 1rov h MET 585 Cb -0.13 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.43 1rov h MET 585 CO -0.08 0.37 -0.43 0.66 1.06 0.00 0.00 176.91 178.49 1rov h SER 586 N 0.43 0.00 -0.42 1.22 4.64 -0.75 -2.02 113.55 116.64 1rov h SER 586 Ca 0.11 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.32 1rov h SER 586 Cb 0.10 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 1rov h SER 586 CO -0.01 0.43 -0.12 0.00 -0.87 0.00 0.00 176.83 176.26 1rov h ALA 587 N 1.57 0.87 -0.39 5.18 0.00 -0.68 -1.32 119.26 124.50 1rov h ALA 587 Ca -0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 1rov h ALA 587 Cb 0.86 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1rov h ALA 587 CO 0.06 0.64 0.16 0.28 0.00 0.00 0.00 179.25 180.39 1rov h VAL 588 N 0.80 1.19 -0.93 0.00 2.07 -1.15 -2.05 116.25 116.18 1rov h VAL 588 Ca 0.13 -0.57 0.08 0.00 0.82 0.00 0.00 66.70 67.16 1rov h VAL 588 Cb 0.65 0.84 -0.07 0.00 -1.52 0.00 0.00 31.29 31.19 1rov h VAL 588 CO 0.05 0.21 0.60 0.58 0.02 0.00 0.00 177.57 179.02 1rov h VAL 589 N 0.49 1.02 0.00 2.57 2.07 -1.27 0.12 116.25 121.24 1rov h VAL 589 Ca 0.13 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1rov h VAL 589 Cb 0.17 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 29.87 1rov h VAL 589 CO -0.01 0.18 0.03 0.22 0.02 0.00 0.00 177.57 178.01 1rov h TYR 590 N 1.00 0.00 -0.10 1.57 3.20 -0.52 0.62 116.97 122.75 1rov h TYR 590 Ca 0.42 0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.32 1rov h TYR 590 Cb 0.30 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.56 1rov h TYR 590 CO -0.00 0.00 0.13 0.87 -1.64 0.00 0.00 178.16 177.52 1rov h LYS 591 N 0.00 0.00 -0.31 1.82 1.57 -0.46 -1.48 116.57 117.71 1rov h LYS 591 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1rov h LYS 591 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1rov h LYS 591 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.63 1rov n ASP 592 N -3.70 3.32 -4.70 0.86 8.00 0.22 -4.96 116.55 115.59 1rov n ASP 592 Ca -0.00 -1.97 -0.42 0.00 0.71 0.00 0.00 54.79 53.10 1rov n ASP 592 Cb 0.23 -0.20 -0.03 0.00 -0.02 0.00 0.00 41.12 41.10 1rov n ASP 592 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 1rov s TRP 593 N -1.54 3.15 -0.18 1.24 -0.00 -0.56 -5.01 118.94 116.05 1rov s TRP 593 Ca 0.35 1.10 0.01 0.00 -0.00 0.00 0.00 56.10 57.56 1rov s TRP 593 Cb 0.21 -3.51 0.03 0.00 -0.00 0.00 0.00 33.47 30.20 1rov s TRP 593 CO 0.30 -1.72 -0.13 0.54 -0.00 0.00 0.00 176.95 175.94 1rov s VAL 594 N 1.92 1.68 0.29 5.86 0.11 -1.26 -5.03 120.40 123.97 1rov s VAL 594 Ca 0.60 -0.86 -0.00 0.00 -2.93 0.00 0.00 61.98 58.78 1rov s VAL 594 Cb -0.29 -1.65 0.38 0.00 -1.53 0.00 0.00 36.38 33.30 1rov s VAL 594 CO 0.26 0.33 1.59 0.15 -3.33 0.00 0.00 175.10 174.10 1rov h PHE 595 N 8.00 -0.04 0.00 1.54 3.57 -1.94 -1.49 116.94 126.57 1rov h PHE 595 Ca -0.34 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.23 1rov h PHE 595 Cb 1.12 0.17 0.00 0.00 2.79 0.00 0.00 35.95 40.03 1rov h PHE 595 CO 0.49 -0.38 0.00 1.79 -2.23 0.00 0.00 178.31 177.98 1rov h THR 596 N 0.04 0.00 -0.01 4.41 1.35 -1.96 -2.43 112.91 114.32 1rov h THR 596 Ca 0.55 -0.71 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 1rov h THR 596 Cb 1.10 1.70 0.00 0.00 -1.73 0.00 0.00 68.15 69.21 1rov h THR 596 CO -0.86 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 174.88 1rov n ASP 597 N -2.67 0.48 0.06 5.36 8.00 -0.57 -2.84 116.55 124.37 1rov n ASP 597 Ca 0.05 -1.19 -0.04 0.00 0.71 0.00 0.00 54.79 54.31 1rov n ASP 597 Cb 0.46 -0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.48 1rov n ASP 597 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1rov h GLN 598 N 0.74 0.00 -6.71 -1.24 1.08 -1.38 -3.28 115.11 104.32 1rov h GLN 598 Ca 0.00 0.00 -0.57 0.00 -1.45 0.00 0.00 58.65 56.63 1rov h GLN 598 Cb 0.16 0.00 0.10 0.00 -0.05 0.00 0.00 27.48 27.69 1rov h GLN 598 CO 0.00 0.71 0.60 0.00 -0.95 0.00 0.00 178.83 179.19 1rov n ALA 599 N -2.36 1.45 -0.27 3.87 0.00 -1.13 -4.83 120.51 117.24 1rov n ALA 599 Ca -0.04 0.38 -0.04 0.00 0.00 0.00 0.00 53.44 53.74 1rov n ALA 599 Cb 0.90 -2.30 0.07 0.00 0.00 0.00 0.00 19.45 18.12 1rov n ALA 599 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1rov h LEU 600 N 3.39 0.85 -0.75 0.00 5.85 -1.91 -0.86 115.31 121.88 1rov h LEU 600 Ca -0.46 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.19 1rov h LEU 600 Cb 1.27 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 1rov h LEU 600 CO 0.69 0.61 0.26 1.55 -0.34 0.00 0.00 178.44 181.21 1rov h PRO 601 N 1.01 1.14 -0.64 5.25 0.13 -1.95 -0.34 132.00 136.61 1rov h PRO 601 Ca 0.28 -0.23 -0.03 0.00 -0.87 0.00 0.00 66.00 65.14 1rov h PRO 601 Cb -0.11 -0.17 -0.03 0.00 0.13 0.00 0.00 31.00 30.82 1rov h PRO 601 CO -0.06 0.96 0.26 0.00 -0.23 0.00 0.00 178.00 178.93 1rov h ALA 602 N 1.13 1.26 -0.69 -0.56 0.00 -1.77 -2.11 119.26 116.52 1rov h ALA 602 Ca 0.24 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1rov h ALA 602 Cb 0.27 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1rov h ALA 602 CO -0.01 0.55 0.19 0.22 0.00 0.00 0.00 179.25 180.20 1rov h ASP 603 N 0.91 1.03 -0.31 0.00 3.58 0.33 -0.78 116.42 121.18 1rov h ASP 603 Ca 0.22 -0.22 -0.16 0.00 0.42 0.00 0.00 57.03 57.28 1rov h ASP 603 Cb 0.16 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 40.94 1rov h ASP 603 CO -0.02 0.98 -0.43 -0.07 -2.88 0.00 0.00 179.24 176.82 1rov h LEU 604 N 1.03 0.94 -0.34 2.28 -0.00 -0.92 -2.05 115.31 116.24 1rov h LEU 604 Ca 0.22 -0.45 -0.16 0.00 -0.00 0.00 0.00 57.88 57.49 1rov h LEU 604 Cb 0.33 -0.27 -0.00 0.00 -0.00 0.00 0.00 40.66 40.72 1rov h LEU 604 CO -0.00 1.23 -0.41 0.40 -0.00 0.00 0.00 178.44 179.66 1rov h ILE 605 N 0.70 1.28 -0.41 1.22 2.04 -1.29 0.21 117.51 121.26 1rov h ILE 605 Ca 0.05 -1.59 -0.03 0.00 1.00 0.00 0.00 64.86 64.29 1rov h ILE 605 Cb 1.02 1.48 -0.02 0.00 -0.74 0.00 0.00 36.82 38.56 1rov h ILE 605 CO 0.10 0.53 0.12 0.50 0.00 0.00 0.00 178.15 179.39 1rov h LYS 606 N 0.69 0.60 -0.01 2.37 3.64 -0.92 -1.55 116.57 121.39 1rov h LYS 606 Ca 0.05 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1rov h LYS 606 Cb 1.01 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 1rov h LYS 606 CO 0.10 0.53 -0.03 0.54 -2.27 0.00 0.00 179.45 178.32 1rov n ARG 607 N -4.34 1.08 -1.01 1.90 1.74 -0.79 -4.88 116.66 110.36 1rov n ARG 607 Ca 0.03 -0.35 -0.00 0.00 -0.77 0.00 0.00 57.85 56.76 1rov n ARG 607 Cb 0.18 -1.49 -0.00 0.00 -1.02 0.00 0.00 32.46 30.13 1rov n ARG 607 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rov n GLY 608 N 1.14 0.47 0.01 -0.13 0.00 -0.58 -1.34 105.19 104.76 1rov n GLY 608 Ca 0.19 -0.43 0.11 0.00 0.00 0.00 0.00 46.02 45.90 1rov n GLY 608 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1rov n MET 609 N -2.88 0.10 -3.98 1.61 2.00 0.69 -4.43 117.12 110.23 1rov n MET 609 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 57.70 57.62 1rov n MET 609 Cb 0.03 -1.54 -0.09 0.00 0.00 0.00 0.00 33.22 31.62 1rov n MET 609 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1rov s ALA 610 N -3.06 0.17 -0.01 3.04 0.00 -1.01 -0.71 121.76 120.18 1rov s ALA 610 Ca 0.08 -0.90 0.03 0.00 0.00 0.00 0.00 51.96 51.17 1rov s ALA 610 Cb 0.16 0.34 -0.01 0.00 0.00 0.00 0.00 23.12 23.61 1rov s ALA 610 CO 0.76 -0.41 -0.11 0.96 0.00 0.00 0.00 175.76 176.97 1rov s ILE 611 N -3.67 0.85 0.23 0.00 -4.36 -0.13 -4.26 121.20 109.86 1rov s ILE 611 Ca 0.04 -0.48 -0.32 0.00 -0.26 0.00 0.00 60.65 59.63 1rov s ILE 611 Cb 0.05 -0.72 -0.13 0.00 1.25 0.00 0.00 42.46 42.92 1rov s ILE 611 CO -0.09 0.22 1.54 -0.62 0.24 0.00 0.00 174.94 176.23 1rov n GLU 612 N 2.77 2.34 -3.17 0.37 1.02 -1.26 -1.67 120.64 121.03 1rov n GLU 612 Ca -0.14 0.84 0.03 0.00 -0.02 0.00 0.00 57.16 57.86 1rov n GLU 612 Cb 0.56 -2.58 -0.01 0.00 -0.02 0.00 0.00 31.44 29.39 1rov n GLU 612 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1rov s ASP 613 N 0.61 -1.26 0.51 1.62 -1.08 -0.53 -4.79 116.67 111.76 1rov s ASP 613 Ca 0.71 0.63 0.34 0.00 -0.52 0.00 0.00 52.55 53.71 1rov s ASP 613 Cb -0.60 2.02 1.65 0.00 -1.46 0.00 0.00 42.92 44.54 1rov s ASP 613 CO 0.44 -0.28 2.03 -0.65 0.52 0.00 0.00 175.17 177.24 1rov h PRO 614 N 8.02 0.00 -0.46 4.34 0.11 -1.94 -3.02 132.00 139.05 1rov h PRO 614 Ca -0.17 0.00 0.11 0.00 0.11 0.00 0.00 66.00 66.05 1rov h PRO 614 Cb 1.17 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1rov h PRO 614 CO 0.24 0.00 0.32 0.77 -0.21 0.00 0.00 178.00 179.12 1rov h SER 615 N 0.00 0.10 -2.86 -2.05 0.02 -1.96 -3.45 113.55 103.35 1rov h SER 615 Ca 0.00 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.41 1rov h SER 615 Cb 0.24 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 1rov h SER 615 CO 0.00 0.06 -0.35 0.00 -1.14 0.00 0.00 176.83 175.40 1rov n PRO 617 N -0.51 -0.04 -1.11 0.00 -0.02 -1.26 -1.64 135.00 130.43 1rov n PRO 617 Ca -0.05 0.85 0.02 0.00 -2.02 0.00 0.00 63.50 62.31 1rov n PRO 617 Cb 0.53 -1.49 0.13 0.00 -0.02 0.00 0.00 33.50 32.65 1rov n PRO 617 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1rov n HIS 618 N -4.47 0.38 -1.12 6.00 8.25 -1.26 -4.95 115.22 118.06 1rov n HIS 618 Ca 0.21 -1.36 -0.04 0.00 -0.26 0.00 0.00 57.72 56.27 1rov n HIS 618 Cb 0.71 -0.23 -0.02 0.00 1.12 0.00 0.00 29.99 31.57 1rov n HIS 618 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1rov n GLY 619 N -0.64 0.56 2.96 -1.41 0.00 -0.65 -4.99 105.19 101.02 1rov n GLY 619 Ca 0.18 -0.13 -0.16 0.00 0.00 0.00 0.00 46.02 45.91 1rov n GLY 619 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1rov s ILE 620 N -1.73 0.43 -0.20 -0.61 -4.36 -1.20 -1.45 121.20 112.07 1rov s ILE 620 Ca 0.00 -0.22 -0.04 0.00 -0.26 0.00 0.00 60.65 60.12 1rov s ILE 620 Cb 0.00 -0.37 -0.02 0.00 1.25 0.00 0.00 42.46 43.32 1rov s ILE 620 CO 0.00 0.12 -0.02 -0.60 0.24 0.00 0.00 174.94 174.69 1rov s ARG 621 N -0.08 3.53 0.16 0.37 3.52 -0.67 -4.70 118.95 121.08 1rov s ARG 621 Ca 0.01 -0.56 -0.28 0.00 -0.13 0.00 0.00 55.73 54.77 1rov s ARG 621 Cb -0.03 -3.04 -0.07 0.00 -1.56 0.00 0.00 34.95 30.25 1rov s ARG 621 CO -0.00 -0.05 0.87 -0.51 -0.81 0.00 0.00 175.30 174.79 1rov s LEU 622 N 1.15 4.57 0.38 -0.88 1.43 -1.26 -0.96 118.68 123.11 1rov s LEU 622 Ca 0.02 1.74 -0.13 0.00 -1.03 0.00 0.00 54.13 54.73 1rov s LEU 622 Cb -0.14 -3.45 -0.08 0.00 0.03 0.00 0.00 46.19 42.55 1rov s LEU 622 CO 0.01 0.10 0.78 0.68 0.23 0.00 0.00 176.35 178.14 1rov s VAL 623 N -0.72 4.71 -0.17 -1.59 -7.23 0.12 -4.34 120.40 111.19 1rov s VAL 623 Ca 0.40 0.83 -0.02 0.00 -1.81 0.00 0.00 61.98 61.38 1rov s VAL 623 Cb -0.24 -3.68 0.01 0.00 0.56 0.00 0.00 36.38 33.03 1rov s VAL 623 CO 0.28 -0.39 0.04 -0.38 -0.31 0.00 0.00 175.10 174.34 1rov n ILE 624 N -0.93 -8.11 -0.02 -0.62 5.41 -1.26 -4.82 119.36 109.01 1rov n ILE 624 Ca 0.03 1.42 -0.15 0.00 1.00 0.00 0.00 62.75 65.05 1rov n ILE 624 Cb 0.54 -5.26 -0.04 0.00 -0.71 0.00 0.00 39.64 34.16 1rov n ILE 624 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1rov h GLU 625 N 3.61 0.74 -3.04 0.38 5.08 -1.94 -3.32 114.58 116.09 1rov h GLU 625 Ca -0.09 -0.57 -0.76 0.00 -1.00 0.00 0.00 59.36 56.94 1rov h GLU 625 Cb 0.51 0.11 -0.17 0.00 0.50 0.00 0.00 28.75 29.70 1rov h GLU 625 CO 0.05 1.19 1.95 -0.40 -1.00 0.00 0.00 179.01 180.79 1rov n ASP 626 N -3.93 6.43 -4.08 1.42 5.68 -1.26 -4.81 116.55 116.00 1rov n ASP 626 Ca -0.06 -3.20 -0.35 0.00 -0.50 0.00 0.00 54.79 50.68 1rov n ASP 626 Cb 0.72 -1.39 -0.11 0.00 -1.14 0.00 0.00 41.12 39.19 1rov n ASP 626 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1rov s TYR 627 N -0.86 3.49 0.19 2.11 6.14 -1.25 -4.75 117.35 122.42 1rov s TYR 627 Ca 0.43 -2.68 -0.15 0.00 0.64 0.00 0.00 57.07 55.31 1rov s TYR 627 Cb 0.13 -3.14 0.17 0.00 0.42 0.00 0.00 41.96 39.54 1rov s TYR 627 CO -0.03 -0.89 1.65 -1.35 0.64 0.00 0.00 175.55 175.57 1rov h PRO 628 N 7.43 0.01 -0.41 4.97 0.11 -1.87 -0.85 132.00 141.40 1rov h PRO 628 Ca -0.07 -0.00 0.07 0.00 0.11 0.00 0.00 66.00 66.11 1rov h PRO 628 Cb 0.99 -0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.04 1rov h PRO 628 CO 0.69 0.01 0.05 -0.92 -0.21 0.00 0.00 178.00 177.62 1rov h TYR 629 N 0.01 0.07 -0.15 0.65 3.20 -1.84 -0.32 116.97 118.60 1rov h TYR 629 Ca 0.25 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 62.01 1rov h TYR 629 Cb 0.39 0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.69 1rov h TYR 629 CO -0.42 -0.03 -0.45 1.15 -1.64 0.00 0.00 178.16 176.77 1rov h THR 630 N 0.17 1.35 -0.30 1.81 2.02 -1.68 0.28 112.91 116.56 1rov h THR 630 Ca 0.20 -1.73 -0.13 0.00 0.77 0.00 0.00 66.41 65.52 1rov h THR 630 Cb 0.26 2.03 -0.01 0.00 -1.74 0.00 0.00 68.15 68.69 1rov h THR 630 CO -0.29 0.53 -0.35 0.58 0.37 0.00 0.00 175.52 176.36 1rov h VAL 631 N 0.21 1.29 0.22 3.16 2.07 -1.10 -0.69 116.25 121.41 1rov h VAL 631 Ca -0.01 -1.49 -0.33 0.00 0.82 0.00 0.00 66.70 65.69 1rov h VAL 631 Cb 1.07 1.43 0.03 0.00 -1.52 0.00 0.00 31.29 32.31 1rov h VAL 631 CO 0.10 0.48 -1.42 0.44 0.02 0.00 0.00 177.57 177.19 1rov h ASP 632 N 0.56 0.83 0.16 0.57 5.19 -1.04 -3.28 116.42 119.40 1rov h ASP 632 Ca 0.06 -0.86 -0.02 0.00 -0.62 0.00 0.00 57.03 55.58 1rov h ASP 632 Cb 0.86 -0.27 -0.00 0.00 0.18 0.00 0.00 39.33 40.10 1rov h ASP 632 CO 0.07 1.67 -0.11 1.23 -3.12 0.00 0.00 179.24 178.98 1rov h GLY 633 N 0.30 0.00 1.72 2.75 0.00 -0.30 -1.94 103.07 105.60 1rov h GLY 633 Ca -0.23 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 46.98 1rov h GLY 633 CO 0.26 0.00 -0.41 1.41 0.00 0.00 0.00 176.54 177.81 1rov h LEU 634 N 0.00 0.32 -0.28 3.11 -0.00 -1.18 0.72 115.31 118.00 1rov h LEU 634 Ca -0.00 -0.14 -0.03 0.00 -0.00 0.00 0.00 57.88 57.71 1rov h LEU 634 Cb 0.23 -0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 40.78 1rov h LEU 634 CO 0.01 0.70 0.04 -0.33 -0.00 0.00 0.00 178.44 178.87 1rov h GLU 635 N 0.26 0.46 -0.27 1.13 4.39 -1.45 -1.29 114.58 117.81 1rov h GLU 635 Ca 0.02 -0.12 -0.09 0.00 0.34 0.00 0.00 59.36 59.51 1rov h GLU 635 Cb 0.83 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.43 1rov h GLU 635 CO 0.07 0.57 -0.17 0.82 -1.16 0.00 0.00 179.01 179.14 1rov h ILE 636 N 0.27 1.30 -0.22 3.13 1.08 -1.19 -2.36 117.51 119.53 1rov h ILE 636 Ca 0.08 -1.29 0.06 0.00 -0.39 0.00 0.00 64.86 63.32 1rov h ILE 636 Cb 0.34 1.56 -0.06 0.00 -3.07 0.00 0.00 36.82 35.59 1rov h ILE 636 CO 0.01 0.41 -0.20 -0.25 -0.69 0.00 0.00 178.15 177.42 1rov h TRP 637 N 0.31 -0.53 -0.44 1.37 2.91 -0.87 -1.06 115.95 117.64 1rov h TRP 637 Ca 0.05 0.03 0.07 0.00 1.13 0.00 0.00 58.89 60.18 1rov h TRP 637 Cb 0.70 0.27 -0.06 0.00 -0.51 0.00 0.00 29.16 29.56 1rov h TRP 637 CO 0.07 -0.28 0.09 -0.44 -1.03 0.00 0.00 178.44 176.85 1rov h ASP 638 N -0.21 0.02 -0.35 2.65 5.19 -1.21 -0.13 116.42 122.37 1rov h ASP 638 Ca 0.13 0.07 0.01 0.00 -0.62 0.00 0.00 57.03 56.63 1rov h ASP 638 Cb 0.41 0.10 -0.02 0.00 0.18 0.00 0.00 39.33 40.00 1rov h ASP 638 CO -0.35 0.04 0.21 0.00 -3.12 0.00 0.00 179.24 176.02 1rov h ALA 639 N 1.33 0.44 0.08 3.45 0.00 -1.15 0.01 119.26 123.43 1rov h ALA 639 Ca 0.21 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1rov h ALA 639 Cb 0.26 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1rov h ALA 639 CO -0.27 -0.14 -0.04 0.82 0.00 0.00 0.00 179.25 179.62 1rov h ILE 640 N 0.43 1.01 -0.74 0.00 2.04 -0.96 -2.42 117.51 116.88 1rov h ILE 640 Ca 0.14 -0.34 0.07 0.00 1.00 0.00 0.00 64.86 65.73 1rov h ILE 640 Cb -0.00 1.24 -0.05 0.00 -0.74 0.00 0.00 36.82 37.27 1rov h ILE 640 CO -0.06 0.08 0.48 0.50 0.00 0.00 0.00 178.15 179.16 1rov h LYS 641 N -0.27 0.71 -0.16 2.37 3.64 -0.87 0.15 116.57 122.16 1rov h LYS 641 Ca -0.01 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1rov h LYS 641 Cb 0.23 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1rov h LYS 641 CO 0.02 0.47 0.08 1.15 -2.27 0.00 0.00 179.45 178.90 1rov h THR 642 N 0.73 1.10 -0.05 1.00 2.02 -0.92 0.17 112.91 116.97 1rov h THR 642 Ca 0.33 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 67.21 1rov h THR 642 Cb 0.32 1.01 -0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1rov h THR 642 CO -0.11 0.10 0.02 -0.25 0.37 0.00 0.00 175.52 175.65 1rov h TRP 643 N 0.15 0.08 -0.79 3.16 -0.00 -0.84 -2.26 115.95 115.45 1rov h TRP 643 Ca 0.06 -0.00 0.03 0.00 -0.00 0.00 0.00 58.89 58.97 1rov h TRP 643 Cb 0.08 -0.02 -0.05 0.00 -0.00 0.00 0.00 29.16 29.17 1rov h TRP 643 CO -0.04 0.18 0.50 0.28 -0.00 0.00 0.00 178.44 179.36 1rov h VAL 644 N -0.05 1.11 0.65 2.65 2.07 -0.61 -1.90 116.25 120.18 1rov h VAL 644 Ca 0.02 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 1rov h VAL 644 Cb 0.13 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 29.96 1rov h VAL 644 CO -0.00 0.18 -0.37 -0.74 0.02 0.00 0.00 177.57 176.66 1rov h HIS 645 N 0.97 -0.96 -0.83 1.57 -0.00 -0.50 -0.73 115.15 114.67 1rov h HIS 645 Ca 0.32 -0.01 0.15 0.00 -0.00 0.00 0.00 60.37 60.82 1rov h HIS 645 Cb 0.02 0.33 -0.09 0.00 -0.00 0.00 0.00 27.41 27.67 1rov h HIS 645 CO -0.03 -0.57 0.41 0.93 -0.00 0.00 0.00 177.93 178.68 1rov h GLU 646 N -0.95 0.57 0.41 5.26 5.08 -1.30 -0.69 114.58 122.97 1rov h GLU 646 Ca -0.08 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1rov h GLU 646 Cb 0.75 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1rov h GLU 646 CO 0.11 0.38 -0.20 -0.92 -1.00 0.00 0.00 179.01 177.38 1rov h TYR 647 N 0.59 -0.51 -0.34 4.33 5.03 -1.22 -1.55 116.97 123.30 1rov h TYR 647 Ca 0.46 -0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.75 1rov h TYR 647 Cb 0.65 0.17 -0.02 0.00 1.55 0.00 0.00 36.73 39.08 1rov h TYR 647 CO -0.10 -0.21 0.20 0.28 -1.32 0.00 0.00 178.16 177.01 1rov h VAL 648 N -0.79 1.10 -0.00 1.81 2.07 -0.96 -1.40 116.25 118.08 1rov h VAL 648 Ca -0.06 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.23 1rov h VAL 648 Cb 0.53 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1rov h VAL 648 CO 0.09 0.11 -0.15 0.49 0.02 0.00 0.00 177.57 178.13 1rov n PHE 649 N -4.46 0.00 0.08 1.57 3.01 -0.28 -1.49 117.46 115.89 1rov n PHE 649 Ca 0.02 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.40 1rov n PHE 649 Cb 0.08 -0.34 0.03 0.00 -0.01 0.00 0.00 39.48 39.24 1rov n PHE 649 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1rov h LEU 650 N 0.14 0.28 0.00 4.37 4.07 -0.19 -3.38 115.31 120.60 1rov h LEU 650 Ca 0.00 -0.20 -0.34 0.00 0.08 0.00 0.00 57.88 57.41 1rov h LEU 650 Cb 0.45 -0.08 -0.06 0.00 1.08 0.00 0.00 40.66 42.04 1rov h LEU 650 CO 0.00 0.96 -2.20 -1.22 -1.08 0.00 0.00 178.44 174.90 1rov n TYR 651 N -3.73 0.26 -3.71 1.13 4.01 -1.09 -4.88 117.16 109.15 1rov n TYR 651 Ca -0.03 0.10 -0.38 0.00 -0.16 0.00 0.00 57.90 57.42 1rov n TYR 651 Cb 0.75 -1.04 -0.12 0.00 -0.31 0.00 0.00 39.34 38.62 1rov n TYR 651 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1rov s TYR 652 N -2.54 3.31 0.06 -0.72 2.02 -0.56 -4.95 117.35 113.97 1rov s TYR 652 Ca -0.09 -1.55 0.33 0.00 -0.37 0.00 0.00 57.07 55.39 1rov s TYR 652 Cb 0.07 -2.58 1.32 0.00 -0.40 0.00 0.00 41.96 40.37 1rov s TYR 652 CO 0.83 -0.79 1.96 0.87 -1.57 0.00 0.00 175.55 176.85 1rov h LYS 653 N 8.26 0.00 -2.36 -0.62 1.57 -1.88 -3.44 116.57 118.10 1rov h LYS 653 Ca -0.22 0.00 0.16 0.00 -1.87 0.00 0.00 60.65 58.72 1rov h LYS 653 Cb 1.08 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.29 1rov h LYS 653 CO 0.66 0.00 0.47 -1.54 -0.57 0.00 0.00 179.45 178.47 1rov s SER 654 N -5.63 -0.23 0.46 0.86 1.04 -1.26 -5.01 113.70 103.94 1rov s SER 654 Ca 0.01 -0.32 0.25 0.00 0.48 0.00 0.00 55.95 56.38 1rov s SER 654 Cb 0.09 0.48 1.07 0.00 0.10 0.00 0.00 66.02 67.75 1rov s SER 654 CO 0.54 -0.86 1.89 0.44 0.98 0.00 0.00 173.24 176.23 1rov h ASP 655 N 2.00 0.00 -0.06 7.02 3.32 -1.90 -2.43 116.42 124.37 1rov h ASP 655 Ca -0.24 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.72 1rov h ASP 655 Cb 1.24 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 1rov h ASP 655 CO 0.27 0.19 -0.24 0.44 -1.72 0.00 0.00 179.24 178.18 1rov h ASP 656 N 0.00 0.48 0.06 6.45 3.45 -1.95 -2.18 116.42 122.74 1rov h ASP 656 Ca -0.00 -0.16 -0.03 0.00 0.43 0.00 0.00 57.03 57.27 1rov h ASP 656 Cb 0.64 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 39.27 1rov h ASP 656 CO 0.03 0.72 -0.09 0.74 -1.57 0.00 0.00 179.24 179.07 1rov h THR 657 N 0.43 1.10 0.14 0.35 2.02 -1.83 -1.39 112.91 113.73 1rov h THR 657 Ca 0.06 -0.44 -0.29 0.00 0.77 0.00 0.00 66.41 66.51 1rov h THR 657 Cb 0.65 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 1rov h THR 657 CO 0.05 0.13 -1.38 0.25 0.37 0.00 0.00 175.52 174.94 1rov h LEU 658 N 0.08 0.45 -1.39 2.58 5.85 -1.51 -2.82 115.31 118.55 1rov h LEU 658 Ca 0.02 -0.53 -0.06 0.00 0.84 0.00 0.00 57.88 58.14 1rov h LEU 658 Cb 0.21 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1rov h LEU 658 CO 0.01 1.43 -0.28 0.03 -0.34 0.00 0.00 178.44 179.29 1rov h ARG 659 N 0.08 0.04 0.00 1.25 3.08 -1.10 -2.87 114.38 114.86 1rov h ARG 659 Ca -0.19 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.85 1rov h ARG 659 Cb 2.01 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.06 1rov h ARG 659 CO 0.19 0.32 -0.11 0.39 -1.07 0.00 0.00 179.97 179.70 1rov n GLU 660 N -4.20 0.04 -2.31 0.04 1.02 -0.55 -4.81 120.64 109.86 1rov n GLU 660 Ca -0.02 0.02 -0.43 0.00 -0.02 0.00 0.00 57.16 56.72 1rov n GLU 660 Cb 0.34 -1.54 -0.02 0.00 -0.02 0.00 0.00 31.44 30.20 1rov n GLU 660 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1rov s ASP 661 N -3.19 6.42 0.44 1.62 -1.08 -1.07 -4.88 116.67 114.94 1rov s ASP 661 Ca 0.13 1.10 0.25 0.00 -0.52 0.00 0.00 52.55 53.51 1rov s ASP 661 Cb 0.18 -2.54 0.56 0.00 -1.46 0.00 0.00 42.92 39.66 1rov s ASP 661 CO 0.57 -1.31 1.69 1.55 0.52 0.00 0.00 175.17 178.19 1rov h PRO 662 N 10.40 0.00 0.12 4.34 0.13 -1.87 -2.39 132.00 142.73 1rov h PRO 662 Ca -0.28 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.64 1rov h PRO 662 Cb 1.11 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.26 1rov h PRO 662 CO 1.05 0.00 -0.94 0.93 -0.23 0.00 0.00 178.00 178.81 1rov h GLU 663 N 0.00 0.26 -0.80 0.86 5.08 -1.90 -1.97 114.58 116.11 1rov h GLU 663 Ca 0.00 -0.45 -0.04 0.00 -1.00 0.00 0.00 59.36 57.87 1rov h GLU 663 Cb 0.89 0.17 -0.04 0.00 0.50 0.00 0.00 28.75 30.27 1rov h GLU 663 CO 0.00 1.21 0.35 1.25 -1.00 0.00 0.00 179.01 180.82 1rov h LEU 664 N -0.40 1.09 -0.21 1.33 7.12 -1.82 -1.31 115.31 121.10 1rov h LEU 664 Ca -0.18 -0.16 -0.13 0.00 0.13 0.00 0.00 57.88 57.54 1rov h LEU 664 Cb 1.63 -0.28 -0.00 0.00 -0.53 0.00 0.00 40.66 41.48 1rov h LEU 664 CO 0.11 0.95 -0.36 1.56 -0.13 0.00 0.00 178.44 180.57 1rov h GLN 665 N 1.16 0.62 -0.43 1.25 1.08 -1.47 -0.98 115.11 116.33 1rov h GLN 665 Ca 0.27 -0.38 -0.02 0.00 -1.45 0.00 0.00 58.65 57.07 1rov h GLN 665 Cb 0.18 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.63 1rov h GLN 665 CO -0.03 0.99 0.18 0.00 -0.95 0.00 0.00 178.83 179.02 1rov h ALA 666 N 0.62 1.50 -0.22 3.87 0.00 -1.30 -2.00 119.26 121.73 1rov h ALA 666 Ca 0.02 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1rov h ALA 666 Cb 0.95 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1rov h ALA 666 CO 0.08 0.39 0.08 0.00 0.00 0.00 0.00 179.25 179.80 1rov h TRP 668 N 0.20 0.80 -0.06 0.00 2.91 -1.12 -1.07 115.95 117.61 1rov h TRP 668 Ca 0.07 -0.12 0.03 0.00 1.13 0.00 0.00 58.89 60.00 1rov h TRP 668 Cb 0.20 -0.22 -0.04 0.00 -0.51 0.00 0.00 29.16 28.60 1rov h TRP 668 CO -0.00 0.77 -0.15 -0.22 -1.03 0.00 0.00 178.44 177.81 1rov h LYS 669 N 0.61 -0.21 -0.68 2.65 3.64 -1.24 -0.04 116.57 121.30 1rov h LYS 669 Ca 0.13 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.51 1rov h LYS 669 Cb 0.41 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.25 1rov h LYS 669 CO 0.01 -0.14 0.33 1.49 -2.27 0.00 0.00 179.45 178.88 1rov h GLU 670 N -0.22 0.96 -0.12 1.90 4.81 -1.18 0.35 114.58 121.08 1rov h GLU 670 Ca 0.07 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1rov h GLU 670 Cb 0.31 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1rov h GLU 670 CO -0.19 0.73 0.05 1.25 -0.73 0.00 0.00 179.01 180.13 1rov h LEU 671 N 0.95 0.17 -0.38 1.64 7.12 -0.66 -0.13 115.31 124.02 1rov h LEU 671 Ca 0.24 -0.15 -0.18 0.00 0.13 0.00 0.00 57.88 57.92 1rov h LEU 671 Cb 0.08 -0.04 -0.00 0.00 -0.53 0.00 0.00 40.66 40.17 1rov h LEU 671 CO -0.03 0.27 -0.57 0.58 -0.13 0.00 0.00 178.44 178.56 1rov h VAL 672 N 0.05 1.30 0.00 1.05 2.07 -0.93 0.12 116.25 119.91 1rov h VAL 672 Ca 0.04 -1.78 -0.19 0.00 0.82 0.00 0.00 66.70 65.58 1rov h VAL 672 Cb 0.15 1.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 1rov h VAL 672 CO -0.00 0.57 -1.11 -0.33 0.02 0.00 0.00 177.57 176.71 1rov h GLU 673 N 0.56 0.00 0.00 1.57 5.08 -0.84 -3.24 114.58 117.71 1rov h GLU 673 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1rov h GLU 673 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1rov h GLU 673 CO 0.12 0.63 -0.02 0.28 -1.00 0.00 0.00 179.01 179.01 1rov n VAL 674 N -3.16 1.05 -0.12 3.13 0.31 -0.16 -4.29 118.33 115.08 1rov n VAL 674 Ca -0.05 0.35 -0.09 0.00 -0.01 0.00 0.00 64.34 64.54 1rov n VAL 674 Cb 0.89 -1.44 -0.01 0.00 -0.91 0.00 0.00 33.84 32.37 1rov n VAL 674 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1rov h GLY 675 N 0.00 0.56 -2.80 2.92 0.00 -1.13 0.53 103.07 103.15 1rov h GLY 675 Ca 0.00 -0.29 -0.36 0.00 0.00 0.00 0.00 47.33 46.69 1rov h GLY 675 CO 0.00 0.27 -0.21 1.42 0.00 0.00 0.00 176.54 178.02 1rov n HIS 676 N -4.72 1.85 -0.26 5.60 -0.00 0.42 -1.75 115.22 116.36 1rov n HIS 676 Ca -0.01 -2.01 0.27 0.00 -0.00 0.00 0.00 57.72 55.98 1rov n HIS 676 Cb 0.12 -0.57 0.64 0.00 -0.00 0.00 0.00 29.99 30.18 1rov n HIS 676 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.34 177.12 1rov h GLY 677 N 1.52 0.47 1.14 -1.41 0.00 -0.90 0.28 103.07 104.16 1rov h GLY 677 Ca 0.31 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.56 1rov h GLY 677 CO 0.65 -0.04 0.00 1.22 0.00 0.00 0.00 176.54 178.38 1rov n ASP 678 N -4.38 0.00 -0.08 0.19 8.00 -1.26 -2.10 116.55 116.92 1rov n ASP 678 Ca 0.22 -0.26 0.02 0.00 0.71 0.00 0.00 54.79 55.49 1rov n ASP 678 Cb 0.97 -0.07 0.04 0.00 -0.02 0.00 0.00 41.12 42.04 1rov n ASP 678 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1rov n LYS 679 N -1.07 2.70 -0.10 -1.24 5.02 0.09 -4.78 118.16 118.78 1rov n LYS 679 Ca 0.08 -1.75 0.25 0.00 -2.02 0.00 0.00 58.31 54.88 1rov n LYS 679 Cb 0.05 -1.12 0.71 0.00 -0.02 0.00 0.00 35.03 34.66 1rov n LYS 679 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 1rov h LYS 680 N 0.19 0.00 -0.67 1.97 2.10 -1.50 -0.17 116.57 118.48 1rov h LYS 680 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1rov h LYS 680 Cb 0.62 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.95 1rov h LYS 680 CO 0.00 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.54 1rov n ASN 681 N -4.29 3.62 -4.78 7.07 5.03 -1.26 -4.91 115.26 115.74 1rov n ASN 681 Ca 0.15 -2.00 -0.35 0.00 0.87 0.00 0.00 54.58 53.25 1rov n ASN 681 Cb 0.81 -0.45 -0.00 0.00 -1.02 0.00 0.00 39.78 39.12 1rov n ASN 681 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1rov s GLU 682 N -1.10 3.40 0.00 3.52 0.41 -0.08 -4.97 118.70 119.88 1rov s GLU 682 Ca 0.45 1.59 0.29 0.00 -0.41 0.00 0.00 54.97 56.89 1rov s GLU 682 Cb 0.24 -2.01 1.32 0.00 -1.78 0.00 0.00 34.13 31.89 1rov s GLU 682 CO 0.31 -0.81 1.91 -0.35 -0.49 0.00 0.00 175.26 175.83 1rov n PRO 683 N -1.27 0.86 -0.01 0.39 -0.04 -1.26 -4.27 135.00 129.40 1rov n PRO 683 Ca 0.11 -0.29 0.13 0.00 -0.04 0.00 0.00 63.50 63.41 1rov n PRO 683 Cb 0.51 -1.49 0.25 0.00 -0.04 0.00 0.00 33.50 32.73 1rov n PRO 683 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1rov n TRP 684 N -0.82 0.03 -2.46 0.54 4.27 -1.26 -4.90 117.44 112.84 1rov n TRP 684 Ca 0.17 -0.01 -0.42 0.00 -3.89 0.00 0.00 57.50 53.34 1rov n TRP 684 Cb 0.26 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 30.18 1rov n TRP 684 CO 0.00 0.00 0.00 -1.58 -2.29 0.00 0.00 177.69 173.82 1rov s TRP 685 N -1.97 3.48 0.53 -2.67 0.52 -1.26 -4.72 118.94 112.85 1rov s TRP 685 Ca 0.32 1.40 -0.22 0.00 0.02 0.00 0.00 56.10 57.62 1rov s TRP 685 Cb 0.20 -3.37 -0.05 0.00 -1.15 0.00 0.00 33.47 29.10 1rov s TRP 685 CO 0.31 -1.04 1.29 -2.14 0.02 0.00 0.00 176.95 175.39 1rov s PRO 686 N 0.69 3.27 -0.06 4.98 0.02 -1.26 -5.01 135.00 137.63 1rov s PRO 686 Ca 0.56 2.06 -0.12 0.00 0.02 0.00 0.00 61.00 63.52 1rov s PRO 686 Cb -0.29 -2.25 -0.05 0.00 0.02 0.00 0.00 34.50 31.93 1rov s PRO 686 CO 0.31 -1.03 0.31 0.15 -0.33 0.00 0.00 177.00 176.41 1rov s LYS 687 N -2.91 3.79 -1.32 5.54 1.02 -1.26 -4.95 119.74 119.65 1rov s LYS 687 Ca 0.70 0.20 -0.10 0.00 0.02 0.00 0.00 55.97 56.80 1rov s LYS 687 Cb -0.36 -3.23 0.14 0.00 -0.52 0.00 0.00 37.83 33.85 1rov s LYS 687 CO 0.42 0.68 2.01 -1.33 -0.92 0.00 0.00 175.35 176.21 1rov n MET 688 N 2.05 3.58 0.00 1.68 2.81 -1.26 -4.29 117.12 121.68 1rov n MET 688 Ca -0.16 -3.33 0.06 0.00 -1.81 0.00 0.00 57.70 52.46 1rov n MET 688 Cb 0.53 -2.96 -0.01 0.00 -0.71 0.00 0.00 33.22 30.08 1rov n MET 688 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1rov n GLN 689 N 4.04 2.05 -4.01 0.03 1.13 -1.26 -4.50 117.38 114.86 1rov n GLN 689 Ca 0.45 -0.62 -0.11 0.00 -1.94 0.00 0.00 57.00 54.78 1rov n GLN 689 Cb 0.35 -1.13 -0.11 0.00 0.11 0.00 0.00 30.24 29.46 1rov n GLN 689 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1rov s THR 690 N -1.55 0.27 0.33 5.09 2.01 -1.26 -4.77 115.64 115.75 1rov s THR 690 Ca 0.09 -0.92 0.04 0.00 0.31 0.00 0.00 61.69 61.21 1rov s THR 690 Cb 0.09 -0.38 0.15 0.00 0.01 0.00 0.00 72.50 72.38 1rov s THR 690 CO 0.31 -0.42 1.86 0.03 -0.69 0.00 0.00 174.62 175.71 1rov h ARG 691 N 4.69 0.55 -0.66 4.92 3.08 -1.89 -2.55 114.38 122.52 1rov h ARG 691 Ca -0.33 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 59.59 1rov h ARG 691 Cb 1.21 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 31.15 1rov h ARG 691 CO 0.42 0.58 0.39 0.93 -1.07 0.00 0.00 179.97 181.21 1rov h GLU 692 N 0.53 0.91 -0.61 0.04 3.07 -1.99 -1.59 114.58 114.94 1rov h GLU 692 Ca 0.11 -0.09 0.04 0.00 -0.50 0.00 0.00 59.36 58.92 1rov h GLU 692 Cb 0.34 -0.19 -0.03 0.00 -0.84 0.00 0.00 28.75 28.03 1rov h GLU 692 CO 0.01 0.66 0.40 0.93 -1.40 0.00 0.00 179.01 179.61 1rov h GLU 693 N 0.90 0.67 -0.07 2.33 5.08 -1.78 -1.19 114.58 120.53 1rov h GLU 693 Ca 0.24 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.38 1rov h GLU 693 Cb -0.01 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.10 1rov h GLU 693 CO -0.04 0.45 -0.65 1.25 -1.00 0.00 0.00 179.01 179.01 1rov h LEU 694 N 0.69 0.70 -0.67 1.33 5.85 -1.29 -1.18 115.31 120.74 1rov h LEU 694 Ca 0.25 -0.68 -0.01 0.00 0.84 0.00 0.00 57.88 58.28 1rov h LEU 694 Cb 0.12 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 1rov h LEU 694 CO -0.07 1.28 0.37 0.58 -0.34 0.00 0.00 178.44 180.26 1rov h VAL 695 N 0.19 1.21 -0.34 1.05 2.07 -1.20 0.17 116.25 119.39 1rov h VAL 695 Ca -0.06 -0.52 -0.03 0.00 0.82 0.00 0.00 66.70 66.91 1rov h VAL 695 Cb 1.31 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1rov h VAL 695 CO 0.13 0.23 0.11 -0.08 0.02 0.00 0.00 177.57 177.98 1rov h GLU 696 N 0.92 0.53 -0.67 1.57 4.57 -1.07 0.40 114.58 120.83 1rov h GLU 696 Ca 0.24 -0.12 -0.07 0.00 -1.18 0.00 0.00 59.36 58.23 1rov h GLU 696 Cb 0.04 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.52 1rov h GLU 696 CO -0.04 0.56 0.15 0.00 -1.18 0.00 0.00 179.01 178.51 1rov h ALA 697 N 0.94 0.88 -0.31 2.92 0.00 -0.88 -2.02 119.26 120.81 1rov h ALA 697 Ca 0.11 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.63 1rov h ALA 697 Cb 0.25 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1rov h ALA 697 CO -0.00 0.61 -0.39 0.00 0.00 0.00 0.00 179.25 179.47 1rov h ALA 699 N 0.97 1.12 -0.00 0.00 0.00 -0.85 -1.37 119.26 119.13 1rov h ALA 699 Ca 0.05 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1rov h ALA 699 Cb 0.93 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1rov h ALA 699 CO 0.08 0.66 0.00 0.82 0.00 0.00 0.00 179.25 180.81 1rov h ILE 700 N 1.18 1.15 -0.43 0.00 2.04 -1.22 0.17 117.51 120.40 1rov h ILE 700 Ca 0.28 -0.45 0.03 0.00 1.00 0.00 0.00 64.86 65.73 1rov h ILE 700 Cb 0.13 1.46 -0.04 0.00 -0.74 0.00 0.00 36.82 37.63 1rov h ILE 700 CO -0.03 0.12 0.21 0.40 0.00 0.00 0.00 178.15 178.85 1rov h ILE 701 N -0.19 0.97 -0.62 -0.67 2.04 -1.18 -0.80 117.51 117.07 1rov h ILE 701 Ca 0.00 -0.15 -0.09 0.00 1.00 0.00 0.00 64.86 65.63 1rov h ILE 701 Cb 0.19 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 1rov h ILE 701 CO -0.00 0.08 0.04 0.40 0.00 0.00 0.00 178.15 178.67 1rov h ILE 702 N 0.43 1.26 -0.53 -0.67 2.04 -1.16 -2.21 117.51 116.67 1rov h ILE 702 Ca 0.18 -1.09 0.01 0.00 1.00 0.00 0.00 64.86 64.96 1rov h ILE 702 Cb 0.10 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 1rov h ILE 702 CO -0.13 0.40 0.35 -0.25 0.00 0.00 0.00 178.15 178.51 1rov h TRP 703 N 0.97 0.66 -0.42 1.37 2.91 -0.38 0.21 115.95 121.26 1rov h TRP 703 Ca 0.18 0.02 -0.11 0.00 1.13 0.00 0.00 58.89 60.10 1rov h TRP 703 Cb 0.50 -0.22 -0.01 0.00 -0.51 0.00 0.00 29.16 28.92 1rov h TRP 703 CO 0.03 0.41 -0.18 1.15 -1.03 0.00 0.00 178.44 178.83 1rov h THR 704 N 0.71 1.28 0.00 2.65 2.02 -0.83 -1.01 112.91 117.72 1rov h THR 704 Ca 0.20 -1.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.05 1rov h THR 704 Cb -0.07 1.23 -0.00 0.00 -1.74 0.00 0.00 68.15 67.56 1rov h THR 704 CO -0.05 0.44 -0.08 0.00 0.37 0.00 0.00 175.52 176.21 1rov h ALA 705 N 0.83 0.95 -3.00 6.16 0.00 -1.25 -2.74 119.26 120.22 1rov h ALA 705 Ca 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1rov h ALA 705 Cb 0.74 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1rov h ALA 705 CO 0.06 0.07 0.00 -1.13 0.00 0.00 0.00 179.25 178.25 1rov n SER 706 N -3.11 0.00 0.00 0.00 3.41 0.05 -2.60 113.62 111.37 1rov n SER 706 Ca 0.04 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.48 1rov n SER 706 Cb 0.55 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.44 1rov n SER 706 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rov h ALA 707 N -1.27 0.30 0.13 7.33 0.00 -1.67 -1.68 119.26 122.40 1rov h ALA 707 Ca 0.00 -0.63 -0.01 0.00 0.00 0.00 0.00 54.91 54.27 1rov h ALA 707 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1rov h ALA 707 CO 0.00 0.70 -0.06 1.25 0.00 0.00 0.00 179.25 181.14 1rov h LEU 708 N 0.47 -0.15 -0.22 0.00 5.85 -1.36 -1.04 115.31 118.86 1rov h LEU 708 Ca -0.07 -0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.52 1rov h LEU 708 Cb 1.47 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.50 1rov h LEU 708 CO 0.17 0.09 -0.05 -0.74 -0.34 0.00 0.00 178.44 177.57 1rov h HIS 709 N -0.39 -0.11 -0.71 1.25 2.76 -1.50 -1.96 115.15 114.49 1rov h HIS 709 Ca -0.02 0.02 0.15 0.00 -2.20 0.00 0.00 60.37 58.33 1rov h HIS 709 Cb 0.31 0.08 -0.11 0.00 1.55 0.00 0.00 27.41 29.24 1rov h HIS 709 CO -0.00 -0.09 0.10 0.00 -1.30 0.00 0.00 177.93 176.64 1rov h ALA 710 N 1.22 0.83 -0.62 5.26 0.00 -1.19 -0.26 119.26 124.49 1rov h ALA 710 Ca 0.11 0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1rov h ALA 710 Cb 0.16 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1rov h ALA 710 CO -0.22 -0.37 0.30 0.00 0.00 0.00 0.00 179.25 178.96 1rov h ALA 711 N 1.61 1.35 0.00 0.00 0.00 -0.69 -1.41 119.26 120.12 1rov h ALA 711 Ca 0.39 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1rov h ALA 711 Cb 0.67 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1rov h ALA 711 CO -0.54 0.51 -1.08 1.55 0.00 0.00 0.00 179.25 179.68 1rov n VAL 712 N -4.35 0.10 -0.12 0.00 3.14 -0.78 -4.61 118.33 111.71 1rov n VAL 712 Ca 0.06 -0.20 -0.25 0.00 -2.96 0.00 0.00 64.34 60.99 1rov n VAL 712 Cb 0.13 0.37 -0.09 0.00 -1.06 0.00 0.00 33.84 33.19 1rov n VAL 712 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 1rov n ASN 713 N -1.86 1.76 0.00 6.55 5.15 -0.13 -4.68 115.26 122.06 1rov n ASN 713 Ca 0.02 0.25 0.12 0.00 -0.60 0.00 0.00 54.58 54.37 1rov n ASN 713 Cb 0.42 -0.67 0.67 0.00 -0.53 0.00 0.00 39.78 39.67 1rov n ASN 713 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1rov n PHE 714 N -3.98 0.00 0.73 1.20 3.72 -0.55 -2.57 117.46 116.01 1rov n PHE 714 Ca -0.47 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.05 1rov n PHE 714 Cb 0.85 -0.13 0.22 0.00 -0.94 0.00 0.00 39.48 39.48 1rov n PHE 714 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1rov n GLY 715 N 0.61 1.21 0.08 1.37 0.00 -1.26 -4.58 105.19 102.61 1rov n GLY 715 Ca 0.15 -0.67 -0.11 0.00 0.00 0.00 0.00 46.02 45.39 1rov n GLY 715 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1rov h GLN 716 N 4.14 0.16 -0.00 1.61 4.20 -1.77 -2.12 115.11 121.32 1rov h GLN 716 Ca 0.00 -0.02 -0.12 0.00 0.06 0.00 0.00 58.65 58.57 1rov h GLN 716 Cb 0.90 -0.03 0.01 0.00 0.30 0.00 0.00 27.48 28.66 1rov h GLN 716 CO 0.00 0.19 -0.47 -0.92 -0.67 0.00 0.00 178.83 176.96 1rov h TYR 717 N 0.09 0.48 -0.76 2.96 3.20 -1.81 0.40 116.97 121.53 1rov h TYR 717 Ca 0.04 -0.26 0.15 0.00 3.14 0.00 0.00 58.73 61.80 1rov h TYR 717 Cb 0.07 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.24 1rov h TYR 717 CO -0.04 1.07 0.51 -1.35 -1.64 0.00 0.00 178.16 176.70 1rov h PRO 718 N -0.25 0.42 0.01 1.82 0.11 -1.80 0.36 132.00 132.67 1rov h PRO 718 Ca -0.06 -0.03 -0.38 0.00 0.11 0.00 0.00 66.00 65.65 1rov h PRO 718 Cb 1.19 -0.09 -0.06 0.00 0.11 0.00 0.00 31.00 32.14 1rov h PRO 718 CO 0.09 0.28 -2.41 0.66 -0.21 0.00 0.00 178.00 176.41 1rov n TYR 719 N -4.48 0.13 -0.22 0.65 4.01 -0.80 -1.13 117.16 115.32 1rov n TYR 719 Ca 0.14 0.03 0.08 0.00 -0.16 0.00 0.00 57.90 58.00 1rov n TYR 719 Cb 0.52 -1.02 0.23 0.00 -0.31 0.00 0.00 39.34 38.76 1rov n TYR 719 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1rov n GLY 720 N 2.14 2.54 0.25 2.72 0.00 0.14 -4.20 105.19 108.78 1rov n GLY 720 Ca -0.42 -0.57 0.14 0.00 0.00 0.00 0.00 46.02 45.17 1rov n GLY 720 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1rov h GLY 721 N 3.09 0.00 -7.71 -0.02 0.00 -0.23 -3.33 103.07 94.87 1rov h GLY 721 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.66 1rov h GLY 721 CO 0.00 0.00 -0.46 -2.27 0.00 0.00 0.00 176.54 173.81 1rov s LEU 722 N -6.32 4.40 0.57 3.11 0.20 -1.26 -4.84 118.68 114.54 1rov s LEU 722 Ca 0.02 -0.29 0.33 0.00 0.69 0.00 0.00 54.13 54.88 1rov s LEU 722 Cb 0.08 -2.17 1.74 0.00 -0.43 0.00 0.00 46.19 45.41 1rov s LEU 722 CO 0.60 -0.21 2.16 -0.29 -0.29 0.00 0.00 176.35 178.32 1rov h ILE 723 N 5.47 0.34 -0.28 6.68 6.09 -1.86 -2.26 117.51 131.69 1rov h ILE 723 Ca -0.32 -0.32 -0.17 0.00 -1.37 0.00 0.00 64.86 62.68 1rov h ILE 723 Cb 1.16 1.23 -0.00 0.00 0.47 0.00 0.00 36.82 39.68 1rov h ILE 723 CO 0.62 0.05 -0.50 -0.07 -3.07 0.00 0.00 178.15 175.19 1rov h LEU 724 N 0.00 0.86 -0.08 2.19 4.07 -1.93 -1.58 115.31 118.83 1rov h LEU 724 Ca -0.00 -0.44 -0.20 0.00 0.08 0.00 0.00 57.88 57.32 1rov h LEU 724 Cb 0.23 -0.24 0.01 0.00 1.08 0.00 0.00 40.66 41.73 1rov h LEU 724 CO 0.01 1.21 -0.72 -1.13 -1.08 0.00 0.00 178.44 176.73 1rov h ASN 725 N 0.61 0.77 -2.22 -0.43 -0.00 -1.72 -3.39 115.58 109.21 1rov h ASN 725 Ca 0.03 -0.68 -0.58 0.00 -0.00 0.00 0.00 56.30 55.06 1rov h ASN 725 Cb 1.08 -0.23 -0.40 0.00 -0.00 0.00 0.00 38.32 38.77 1rov h ASN 725 CO 0.11 1.33 -0.84 0.54 -0.00 0.00 0.00 177.43 178.57 1rov n ARG 726 N -4.06 1.49 -1.65 6.67 5.12 -1.09 -5.01 116.66 118.13 1rov n ARG 726 Ca -0.09 -3.92 -0.34 0.00 -1.93 0.00 0.00 57.85 51.57 1rov n ARG 726 Cb 0.72 -1.78 0.07 0.00 -1.16 0.00 0.00 32.46 30.31 1rov n ARG 726 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1rov s PRO 727 N -1.60 2.49 -0.02 5.56 0.04 -0.60 -4.77 135.00 136.10 1rov s PRO 727 Ca 0.36 1.70 0.20 0.00 0.04 0.00 0.00 61.00 63.30 1rov s PRO 727 Cb 0.13 -1.88 -0.27 0.00 0.04 0.00 0.00 34.50 32.51 1rov s PRO 727 CO -0.09 -1.55 0.62 0.25 0.04 0.00 0.00 177.00 176.27 1rov n THR 728 N -2.37 0.00 -3.45 1.26 -2.24 -1.26 -4.10 114.28 102.12 1rov n THR 728 Ca 0.13 -0.28 -0.13 0.00 -2.27 0.00 0.00 64.05 61.51 1rov n THR 728 Cb 0.50 0.46 -0.03 0.00 -2.10 0.00 0.00 70.33 69.16 1rov n THR 728 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 1rov s LEU 729 N -3.76 -0.49 0.04 3.22 -0.00 -1.26 -1.89 118.68 114.53 1rov s LEU 729 Ca -0.01 0.06 0.06 0.00 -0.00 0.00 0.00 54.13 54.24 1rov s LEU 729 Cb 0.14 2.52 -0.03 0.00 -0.00 0.00 0.00 46.19 48.82 1rov s LEU 729 CO 0.83 -0.92 -0.15 -0.94 -0.00 0.00 0.00 176.35 175.17 1rov s SER 730 N -2.57 4.01 0.00 1.48 1.04 -1.26 -2.62 113.70 113.78 1rov s SER 730 Ca -0.00 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.06 1rov s SER 730 Cb -0.01 -0.72 0.00 0.00 0.10 0.00 0.00 66.02 65.39 1rov s SER 730 CO -0.10 0.26 0.81 0.54 0.98 0.00 0.00 173.24 175.72 1rov n ARG 731 N 1.51 1.86 -3.71 4.02 1.74 0.18 -1.99 116.66 120.26 1rov n ARG 731 Ca -0.16 -1.12 -0.14 0.00 -0.77 0.00 0.00 57.85 55.67 1rov n ARG 731 Cb 0.52 -0.81 -0.09 0.00 -1.02 0.00 0.00 32.46 31.06 1rov n ARG 731 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1rov s ARG 732 N -0.62 0.58 0.70 5.56 0.52 -1.26 -4.55 118.95 119.88 1rov s ARG 732 Ca 0.00 0.45 -0.11 0.00 -0.52 0.00 0.00 55.73 55.55 1rov s ARG 732 Cb 0.00 0.28 0.01 0.00 0.52 0.00 0.00 34.95 35.76 1rov s ARG 732 CO 0.00 -0.10 1.08 -0.06 0.02 0.00 0.00 175.30 176.24 1rov s PHE 733 N -0.14 3.31 0.17 -0.53 0.08 -1.26 -4.87 117.98 114.75 1rov s PHE 733 Ca -0.03 1.14 -0.33 0.00 0.12 0.00 0.00 56.93 57.83 1rov s PHE 733 Cb -0.03 -2.98 -0.13 0.00 -0.57 0.00 0.00 43.02 39.30 1rov s PHE 733 CO 0.02 -1.15 1.61 -0.12 -0.10 0.00 0.00 175.22 175.48 1rov n MET 734 N -3.01 2.30 -1.78 0.44 0.00 -1.26 -4.94 117.12 108.87 1rov n MET 734 Ca 0.07 0.83 -0.41 0.00 0.00 0.00 0.00 57.70 58.19 1rov n MET 734 Cb 0.56 -2.61 -0.00 0.00 0.00 0.00 0.00 33.22 31.17 1rov n MET 734 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 175.97 173.83 1rov s PRO 735 N 0.92 4.09 -0.05 2.12 0.02 -1.26 -4.98 135.00 135.87 1rov s PRO 735 Ca 0.78 2.60 -0.01 0.00 0.02 0.00 0.00 61.00 64.38 1rov s PRO 735 Cb -0.64 -2.97 -0.04 0.00 0.02 0.00 0.00 34.50 30.88 1rov s PRO 735 CO 0.37 -0.57 0.03 -1.21 -0.33 0.00 0.00 177.00 175.29 1rov s GLU 736 N -1.94 2.98 0.00 5.54 2.02 -1.26 -4.88 118.70 121.16 1rov s GLU 736 Ca 0.54 -0.46 0.00 0.00 0.02 0.00 0.00 54.97 55.07 1rov s GLU 736 Cb -0.47 -2.80 0.00 0.00 0.10 0.00 0.00 34.13 30.96 1rov s GLU 736 CO 0.62 0.68 0.00 1.63 0.02 0.00 0.00 175.26 178.21 1rov n LYS 737 N 1.74 0.00 0.00 1.61 5.02 -1.26 -2.77 118.16 122.51 1rov n LYS 737 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 1rov n LYS 737 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.54 1rov n LYS 737 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1rov n GLY 738 N 0.00 0.00 0.66 0.72 0.00 -1.26 -5.02 105.19 100.30 1rov n GLY 738 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1rov n GLY 738 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rov n SER 739 N -2.25 -0.85 0.17 1.61 3.41 -1.11 -4.65 113.62 109.94 1rov n SER 739 Ca 0.00 0.01 0.03 0.00 -0.26 0.00 0.00 58.87 58.65 1rov n SER 739 Cb 0.48 -0.13 0.27 0.00 -0.26 0.00 0.00 64.21 64.58 1rov n SER 739 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rov h ALA 740 N -0.22 1.01 0.00 7.33 0.00 -1.99 -3.01 119.26 122.37 1rov h ALA 740 Ca -0.09 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1rov h ALA 740 Cb 0.30 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1rov h ALA 740 CO 0.05 0.58 -0.02 1.05 0.00 0.00 0.00 179.25 180.91 1rov h GLU 741 N 0.00 0.00 0.00 0.00 9.09 -1.90 0.35 114.58 122.13 1rov h GLU 741 Ca -0.00 0.00 -0.19 0.00 0.05 0.00 0.00 59.36 59.22 1rov h GLU 741 Cb 0.96 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 28.03 1rov h GLU 741 CO 0.06 0.00 -0.90 -0.92 0.05 0.00 0.00 179.01 177.30 1rov h TYR 742 N 0.00 0.01 0.01 2.06 5.03 -1.75 0.74 116.97 123.07 1rov h TYR 742 Ca 0.00 -0.00 -0.08 0.00 2.58 0.00 0.00 58.73 61.23 1rov h TYR 742 Cb 0.94 -0.00 0.01 0.00 1.55 0.00 0.00 36.73 39.23 1rov h TYR 742 CO 0.00 0.90 -0.32 1.49 -1.32 0.00 0.00 178.16 178.92 1rov h GLU 743 N 0.00 0.20 -0.87 1.82 4.57 -1.33 -1.58 114.58 117.38 1rov h GLU 743 Ca -0.01 -0.23 0.17 0.00 -1.18 0.00 0.00 59.36 58.11 1rov h GLU 743 Cb 1.60 0.07 -0.10 0.00 -0.16 0.00 0.00 28.75 30.15 1rov h GLU 743 CO 0.12 0.97 0.44 1.49 -1.18 0.00 0.00 179.01 180.85 1rov h GLU 744 N -0.48 0.56 -0.22 1.92 4.81 -0.28 -1.47 114.58 119.41 1rov h GLU 744 Ca -0.04 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.20 1rov h GLU 744 Cb 1.09 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.30 1rov h GLU 744 CO 0.06 0.37 -0.06 1.25 -0.73 0.00 0.00 179.01 179.90 1rov h LEU 745 N 0.57 -0.23 -0.57 1.64 6.46 -0.67 -0.57 115.31 121.95 1rov h LEU 745 Ca 0.50 0.07 0.09 0.00 -0.12 0.00 0.00 57.88 58.42 1rov h LEU 745 Cb 0.79 0.15 -0.07 0.00 -0.73 0.00 0.00 40.66 40.79 1rov h LEU 745 CO -0.41 -0.08 0.17 -0.09 -0.62 0.00 0.00 178.44 177.41 1rov h ARG 746 N -0.01 0.32 -0.06 1.25 2.43 -0.91 -2.72 114.38 114.67 1rov h ARG 746 Ca 0.11 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.13 1rov h ARG 746 Cb 0.18 -0.07 0.01 0.00 -0.42 0.00 0.00 29.97 29.66 1rov h ARG 746 CO -0.23 0.21 -0.47 0.87 -1.51 0.00 0.00 179.97 178.83 1rov h LYS 747 N 0.33 0.43 -1.01 0.20 1.79 -0.25 -3.43 116.57 114.64 1rov h LYS 747 Ca 0.29 -0.38 -0.38 0.00 -2.18 0.00 0.00 60.65 58.00 1rov h LYS 747 Cb 0.37 0.09 -0.27 0.00 -1.58 0.00 0.00 32.23 30.84 1rov h LYS 747 CO -0.32 1.03 -0.81 -1.71 -1.08 0.00 0.00 179.45 176.55 1rov n ASN 748 N -4.29 -1.10 0.08 0.86 2.85 -0.32 -5.00 115.26 108.35 1rov n ASN 748 Ca -0.09 -3.15 0.14 0.00 -0.11 0.00 0.00 54.58 51.38 1rov n ASN 748 Cb 0.59 0.61 0.64 0.00 1.24 0.00 0.00 39.78 42.86 1rov n ASN 748 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1rov h PRO 749 N 3.58 0.08 -0.56 1.20 0.13 -1.62 -0.95 132.00 133.86 1rov h PRO 749 Ca -0.02 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.09 1rov h PRO 749 Cb 0.99 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.07 1rov h PRO 749 CO 0.36 0.05 0.31 1.96 -0.23 0.00 0.00 178.00 180.45 1rov h GLN 750 N 0.08 0.78 -0.43 0.86 4.20 -1.94 0.26 115.11 118.92 1rov h GLN 750 Ca 0.16 -0.09 -0.12 0.00 0.06 0.00 0.00 58.65 58.66 1rov h GLN 750 Cb 0.55 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 1rov h GLN 750 CO -0.01 0.60 -0.21 -0.22 -0.67 0.00 0.00 178.83 178.31 1rov h LYS 751 N 0.75 0.86 -0.17 1.46 1.63 -1.49 -0.83 116.57 118.79 1rov h LYS 751 Ca 0.20 -0.35 -0.05 0.00 -0.85 0.00 0.00 60.65 59.59 1rov h LYS 751 Cb 0.04 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.62 1rov h LYS 751 CO -0.03 0.99 -0.14 0.00 -3.45 0.00 0.00 179.45 176.82 1rov h ALA 752 N 1.01 1.45 -0.42 5.00 0.00 -0.62 -2.05 119.26 123.63 1rov h ALA 752 Ca 0.10 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1rov h ALA 752 Cb 0.75 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1rov h ALA 752 CO 0.06 0.38 -0.03 -0.92 0.00 0.00 0.00 179.25 178.74 1rov h TYR 753 N 0.25 0.84 0.00 0.00 3.20 -0.02 -2.71 116.97 118.53 1rov h TYR 753 Ca 0.05 -0.16 -0.07 0.00 3.14 0.00 0.00 58.73 61.70 1rov h TYR 753 Cb 0.41 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 1rov h TYR 753 CO 0.01 0.84 -0.31 -0.07 -1.64 0.00 0.00 178.16 176.99 1rov h LEU 754 N 0.59 0.00 -0.55 2.82 -0.00 -0.98 -1.72 115.31 115.47 1rov h LEU 754 Ca 0.12 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.91 1rov h LEU 754 Cb 0.53 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.17 1rov h LEU 754 CO 0.03 0.31 -0.43 0.11 -0.00 0.00 0.00 178.44 178.46 1rov h LYS 755 N 0.00 0.00 0.15 1.13 1.57 -1.07 -3.21 116.57 115.14 1rov h LYS 755 Ca -0.00 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.48 1rov h LYS 755 Cb 0.61 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.93 1rov h LYS 755 CO 0.04 0.43 -1.39 1.15 -0.57 0.00 0.00 179.45 179.11 1rov h THR 756 N 0.00 1.34 -4.19 -0.16 2.02 -1.08 -3.42 112.91 107.42 1rov h THR 756 Ca -0.00 -2.91 -0.19 0.00 0.77 0.00 0.00 66.41 64.08 1rov h THR 756 Cb 1.11 2.90 0.03 0.00 -1.74 0.00 0.00 68.15 70.45 1rov h THR 756 CO 0.06 0.86 0.04 2.30 0.37 0.00 0.00 175.52 179.15 1rov n ILE 757 N -3.54 0.00 -1.63 3.11 -5.35 -0.98 0.47 119.36 111.45 1rov n ILE 757 Ca -0.13 -0.63 -0.52 0.00 -0.27 0.00 0.00 62.75 61.19 1rov n ILE 757 Cb 1.05 -1.17 -0.06 0.00 -1.74 0.00 0.00 39.64 37.71 1rov n ILE 757 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 1rov n THR 758 N -1.96 0.09 -0.90 7.28 -1.04 -1.08 -4.70 114.28 111.97 1rov n THR 758 Ca 0.07 -0.02 -0.28 0.00 -2.04 0.00 0.00 64.05 61.78 1rov n THR 758 Cb 0.24 -1.01 0.21 0.00 -1.82 0.00 0.00 70.33 67.95 1rov n THR 758 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1rov s PRO 759 N 1.29 -0.19 0.24 -2.82 0.02 -1.26 -4.74 135.00 127.54 1rov s PRO 759 Ca 0.87 0.65 -0.06 0.00 0.02 0.00 0.00 61.00 62.49 1rov s PRO 759 Cb -0.94 -1.65 0.26 0.00 0.02 0.00 0.00 34.50 32.18 1rov s PRO 759 CO 0.50 -3.18 1.84 -0.22 -0.33 0.00 0.00 177.00 175.61 1rov h LYS 760 N -2.22 1.16 0.41 5.54 3.64 -1.93 0.19 116.57 123.35 1rov h LYS 760 Ca -0.58 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 58.63 1rov h LYS 760 Cb 1.33 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1rov h LYS 760 CO 0.54 0.88 -0.25 0.35 -2.27 0.00 0.00 179.45 178.71 1rov h PHE 761 N 1.15 -0.66 0.00 1.91 3.57 -1.92 -0.71 116.94 120.28 1rov h PHE 761 Ca 0.28 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.71 1rov h PHE 761 Cb 0.10 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 1rov h PHE 761 CO 0.01 -0.39 -0.30 1.96 -2.23 0.00 0.00 178.31 177.37 1rov h GLN 762 N -0.63 0.00 -0.86 1.11 7.50 -1.90 -1.01 115.11 119.32 1rov h GLN 762 Ca -0.05 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.10 1rov h GLN 762 Cb 0.52 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 28.01 1rov h GLN 762 CO 0.05 0.30 0.54 1.15 -1.50 0.00 0.00 178.83 179.36 1rov h THR 763 N 0.00 1.23 -0.60 -0.54 2.02 0.43 -0.60 112.91 114.86 1rov h THR 763 Ca -0.00 -0.49 -0.04 0.00 0.77 0.00 0.00 66.41 66.65 1rov h THR 763 Cb 0.53 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.91 1rov h THR 763 CO 0.04 0.24 0.21 -0.07 0.37 0.00 0.00 175.52 176.31 1rov h LEU 764 N 1.18 0.82 -0.22 2.58 3.38 0.20 0.22 115.31 123.47 1rov h LEU 764 Ca 0.31 -0.12 -0.15 0.00 0.09 0.00 0.00 57.88 58.01 1rov h LEU 764 Cb -0.08 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.46 1rov h LEU 764 CO -0.06 0.76 -0.46 0.40 0.09 0.00 0.00 178.44 179.17 1rov h ILE 765 N 0.87 1.31 -0.24 1.22 1.08 -1.15 -2.77 117.51 117.83 1rov h ILE 765 Ca 0.20 -1.67 0.01 0.00 -0.39 0.00 0.00 64.86 63.01 1rov h ILE 765 Cb 0.21 1.81 -0.02 0.00 -3.07 0.00 0.00 36.82 35.75 1rov h ILE 765 CO -0.01 0.53 0.13 -0.78 -0.69 0.00 0.00 178.15 177.32 1rov h ASP 766 N 0.41 0.20 -0.76 1.72 3.58 -0.50 -1.49 116.42 119.58 1rov h ASP 766 Ca 0.01 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.44 1rov h ASP 766 Cb 1.06 -0.03 -0.04 0.00 1.72 0.00 0.00 39.33 42.04 1rov h ASP 766 CO 0.10 0.15 0.41 -0.07 -2.88 0.00 0.00 179.24 176.95 1rov h LEU 767 N 0.26 0.96 -0.68 2.28 4.07 -1.04 0.12 115.31 121.29 1rov h LEU 767 Ca 0.09 -0.11 -0.01 0.00 0.08 0.00 0.00 57.88 57.94 1rov h LEU 767 Cb 0.01 -0.25 -0.03 0.00 1.08 0.00 0.00 40.66 41.47 1rov h LEU 767 CO -0.06 0.79 0.37 0.28 -1.08 0.00 0.00 178.44 178.75 1rov h SER 768 N 1.06 0.85 -0.09 -0.43 0.02 -1.32 -0.72 113.55 112.91 1rov h SER 768 Ca 0.27 -0.10 -0.14 0.00 -0.84 0.00 0.00 61.79 60.98 1rov h SER 768 Cb 0.05 -0.22 0.01 0.00 0.14 0.00 0.00 62.40 62.38 1rov h SER 768 CO -0.04 0.70 -0.48 0.58 -1.14 0.00 0.00 176.83 176.44 1rov h VAL 769 N 0.93 1.38 0.00 2.27 2.07 -0.39 -3.14 116.25 119.37 1rov h VAL 769 Ca 0.24 -1.83 -0.08 0.00 0.82 0.00 0.00 66.70 65.85 1rov h VAL 769 Cb 0.04 2.24 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 1rov h VAL 769 CO -0.04 0.55 -0.38 0.16 0.02 0.00 0.00 177.57 177.87 1rov h ILE 770 N 0.06 0.90 -0.02 4.57 3.07 -0.75 -1.41 117.51 123.94 1rov h ILE 770 Ca -0.04 -1.55 -0.00 0.00 1.55 0.00 0.00 64.86 64.83 1rov h ILE 770 Cb 1.14 1.94 -0.00 0.00 -0.27 0.00 0.00 36.82 39.62 1rov h ILE 770 CO 0.10 0.38 0.01 -0.08 -1.05 0.00 0.00 178.15 177.50 1rov h GLU 771 N 0.00 0.03 -0.06 0.16 4.81 -1.16 -1.79 114.58 116.57 1rov h GLU 771 Ca -0.00 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1rov h GLU 771 Cb 0.91 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.28 1rov h GLU 771 CO 0.05 0.17 0.03 0.82 -0.73 0.00 0.00 179.01 179.35 1rov h ILE 772 N -0.12 1.10 -0.90 2.32 2.04 -1.47 -3.21 117.51 117.26 1rov h ILE 772 Ca 0.01 -0.29 0.17 0.00 1.00 0.00 0.00 64.86 65.74 1rov h ILE 772 Cb 0.15 1.19 -0.10 0.00 -0.74 0.00 0.00 36.82 37.32 1rov h ILE 772 CO -0.00 0.08 0.48 -0.07 0.00 0.00 0.00 178.15 178.64 1rov h LEU 773 N -0.02 0.57 0.00 1.44 4.07 -1.18 -2.82 115.31 117.37 1rov h LEU 773 Ca 0.02 0.10 0.00 0.00 0.08 0.00 0.00 57.88 58.08 1rov h LEU 773 Cb 0.11 0.01 0.00 0.00 1.08 0.00 0.00 40.66 41.86 1rov h LEU 773 CO -0.00 0.21 0.00 -1.20 -1.08 0.00 0.00 178.44 176.36 1rov n SER 774 N -4.87 0.00 -4.82 -0.43 7.64 -0.68 -4.77 113.62 105.69 1rov n SER 774 Ca 0.20 -1.20 -0.35 0.00 1.01 0.00 0.00 58.87 58.53 1rov n SER 774 Cb 0.50 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.64 1rov n SER 774 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1rov s ARG 775 N -2.00 3.26 -0.16 1.43 0.52 -1.07 -4.20 118.95 116.73 1rov s ARG 775 Ca 0.23 -0.30 -0.10 0.00 -0.52 0.00 0.00 55.73 55.05 1rov s ARG 775 Cb 0.11 -3.01 -0.05 0.00 0.52 0.00 0.00 34.95 32.52 1rov s ARG 775 CO 0.18 0.72 0.16 -1.01 0.02 0.00 0.00 175.30 175.37 1rov s HIS 776 N -1.08 3.49 0.81 -0.53 3.76 -0.13 -4.83 115.29 116.78 1rov s HIS 776 Ca 0.18 0.45 -0.14 0.00 -0.15 0.00 0.00 55.06 55.41 1rov s HIS 776 Cb -0.12 -2.12 0.05 0.00 1.11 0.00 0.00 32.58 31.50 1rov s HIS 776 CO 0.08 0.44 0.96 0.00 -0.85 0.00 0.00 174.74 175.37 1rov n ALA 777 N 2.98 -0.66 0.34 -1.40 0.00 -1.26 -0.86 120.51 119.64 1rov n ALA 777 Ca -0.17 -0.34 0.15 0.00 0.00 0.00 0.00 53.44 53.08 1rov n ALA 777 Cb 0.53 -2.11 0.53 0.00 0.00 0.00 0.00 19.45 18.41 1rov n ALA 777 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1rov h SER 778 N -0.86 0.00 -0.35 0.00 4.64 -1.92 -2.56 113.55 112.50 1rov h SER 778 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1rov h SER 778 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1rov h SER 778 CO 0.44 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.50 1rov n ASP 779 N -2.77 4.34 -4.71 4.97 5.68 -1.26 -5.01 116.55 117.78 1rov n ASP 779 Ca 0.02 -2.95 -0.41 0.00 -0.50 0.00 0.00 54.79 50.96 1rov n ASP 779 Cb 0.33 -0.57 0.01 0.00 -1.14 0.00 0.00 41.12 39.75 1rov n ASP 779 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 1rov n GLU 780 N -0.15 1.99 -3.78 0.11 4.07 -0.96 -5.00 120.64 116.92 1rov n GLU 780 Ca 0.23 0.71 -0.37 0.00 -0.06 0.00 0.00 57.16 57.67 1rov n GLU 780 Cb 0.95 -2.44 -0.13 0.00 -0.06 0.00 0.00 31.44 29.77 1rov n GLU 780 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1rov s VAL 781 N -1.20 3.90 0.54 6.31 1.01 -1.26 -5.08 120.40 124.61 1rov s VAL 781 Ca 0.61 -0.63 -0.01 0.00 0.00 0.00 0.00 61.98 61.95 1rov s VAL 781 Cb -0.49 -2.97 0.02 0.00 0.00 0.00 0.00 36.38 32.94 1rov s VAL 781 CO 0.58 0.15 0.79 -0.31 0.00 0.00 0.00 175.10 176.30 1rov s TYR 782 N 1.50 3.06 0.23 5.22 1.51 -1.26 -0.85 117.35 126.75 1rov s TYR 782 Ca 0.03 0.23 -0.05 0.00 -1.01 0.00 0.00 57.07 56.28 1rov s TYR 782 Cb -0.17 -2.65 0.23 0.00 -0.11 0.00 0.00 41.96 39.26 1rov s TYR 782 CO 0.02 -0.75 1.71 1.25 -1.11 0.00 0.00 175.55 176.67 1rov h LEU 783 N 0.07 0.87 -0.05 -1.29 5.85 -0.73 -2.58 115.31 117.45 1rov h LEU 783 Ca -0.44 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.05 1rov h LEU 783 Cb 1.28 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.07 1rov h LEU 783 CO 0.56 0.94 0.00 0.61 -0.34 0.00 0.00 178.44 180.21 1rov n GLY 784 N -0.54 0.00 0.37 3.75 0.00 -1.26 -0.16 105.19 107.33 1rov n GLY 784 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1rov n GLY 784 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1rov n GLU 785 N 0.00 0.00 -4.35 1.61 4.07 -1.26 -4.59 120.64 116.12 1rov n GLU 785 Ca 0.00 0.04 -0.35 0.00 -0.06 0.00 0.00 57.16 56.79 1rov n GLU 785 Cb 0.00 -0.67 -0.09 0.00 -0.06 0.00 0.00 31.44 30.61 1rov n GLU 785 CO 0.00 0.00 0.00 0.50 -0.06 0.00 0.00 177.13 177.57 1rov s ARG 786 N -1.09 3.03 0.04 5.31 3.52 0.77 -4.83 118.95 125.70 1rov s ARG 786 Ca 0.00 -0.40 0.00 0.00 -0.13 0.00 0.00 55.73 55.20 1rov s ARG 786 Cb 0.00 -2.82 -0.03 0.00 -1.56 0.00 0.00 34.95 30.54 1rov s ARG 786 CO 0.00 0.69 -0.04 0.34 -0.81 0.00 0.00 175.30 175.48 1rov s ASP 787 N -0.85 0.42 0.00 -2.12 2.15 -1.26 -4.70 116.67 110.32 1rov s ASP 787 Ca 0.13 -0.68 0.00 0.00 0.43 0.00 0.00 52.55 52.43 1rov s ASP 787 Cb -0.11 0.12 0.00 0.00 -0.30 0.00 0.00 42.92 42.63 1rov s ASP 787 CO 0.02 -0.39 0.30 0.59 -0.17 0.00 0.00 175.17 175.53 1rov n ASN 788 N 1.07 0.00 0.00 -0.34 4.13 -1.26 -5.01 115.26 113.85 1rov n ASN 788 Ca -0.20 0.30 0.00 0.00 1.68 0.00 0.00 54.58 56.36 1rov n ASN 788 Cb 0.57 -0.11 0.00 0.00 -1.54 0.00 0.00 39.78 38.70 1rov n ASN 788 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1rov n PRO 789 N -1.69 0.00 -3.30 3.52 -0.04 -1.26 -5.11 135.00 127.12 1rov n PRO 789 Ca 0.00 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.21 1rov n PRO 789 Cb 0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.38 1rov n PRO 789 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1rov n ASN 790 N 0.00 0.93 0.25 3.54 3.02 -1.26 -5.04 115.26 116.69 1rov n ASN 790 Ca 0.00 -2.82 0.14 0.00 -0.03 0.00 0.00 54.58 51.87 1rov n ASN 790 Cb 0.00 -0.64 0.55 0.00 -0.61 0.00 0.00 39.78 39.08 1rov n ASN 790 CO 0.00 0.00 0.00 4.11 -2.62 0.00 0.00 177.26 178.75 1rov h TRP 791 N 4.34 0.00 -3.21 3.10 5.08 -1.99 -3.42 115.95 119.84 1rov h TRP 791 Ca 0.13 0.00 -0.13 0.00 1.08 0.00 0.00 58.89 59.97 1rov h TRP 791 Cb 0.83 0.00 -0.21 0.00 -3.00 0.00 0.00 29.16 26.79 1rov h TRP 791 CO 0.44 0.09 -0.37 -0.08 -1.28 0.00 0.00 178.44 177.24 1rov s THR 792 N -3.61 0.06 -2.10 0.12 -1.32 -1.26 -4.89 115.64 102.65 1rov s THR 792 Ca 0.02 -0.51 0.16 0.00 -1.21 0.00 0.00 61.69 60.15 1rov s THR 792 Cb 0.09 -0.52 0.42 0.00 -1.51 0.00 0.00 72.50 70.97 1rov s THR 792 CO 0.59 -0.28 1.38 -1.54 -2.21 0.00 0.00 174.62 172.57 1rov n SER 793 N 1.50 2.37 -4.49 8.08 3.41 -0.83 -4.82 113.62 118.83 1rov n SER 793 Ca -0.21 -1.94 -0.43 0.00 -0.26 0.00 0.00 58.87 56.03 1rov n SER 793 Cb 0.56 -0.26 -0.06 0.00 -0.26 0.00 0.00 64.21 64.19 1rov n SER 793 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1rov s ASP 794 N -1.16 6.30 0.43 4.04 -1.08 -1.26 -4.90 116.67 119.04 1rov s ASP 794 Ca 0.32 -0.53 0.18 0.00 -0.52 0.00 0.00 52.55 52.00 1rov s ASP 794 Cb 0.17 -2.34 0.99 0.00 -1.46 0.00 0.00 42.92 40.27 1rov s ASP 794 CO 0.23 -0.94 1.92 0.74 0.52 0.00 0.00 175.17 177.63 1rov h THR 795 N 5.92 0.97 -0.49 1.71 2.02 -2.00 -1.96 112.91 119.09 1rov h THR 795 Ca -0.26 -0.96 -0.12 0.00 0.77 0.00 0.00 66.41 65.84 1rov h THR 795 Cb 1.09 1.55 -0.01 0.00 -1.74 0.00 0.00 68.15 69.04 1rov h THR 795 CO 0.97 0.26 -0.15 0.03 0.37 0.00 0.00 175.52 176.99 1rov h ARG 796 N 0.00 0.96 -0.56 6.66 3.08 -1.99 -1.42 114.38 121.11 1rov h ARG 796 Ca -0.00 -0.39 -0.09 0.00 0.07 0.00 0.00 59.98 59.57 1rov h ARG 796 Cb 0.53 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 1rov h ARG 796 CO 0.03 1.05 -0.01 0.00 -1.07 0.00 0.00 179.97 179.98 1rov h ALA 797 N 0.88 0.76 -0.54 0.04 0.00 -1.79 -1.64 119.26 116.98 1rov h ALA 797 Ca 0.12 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.75 1rov h ALA 797 Cb 0.72 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1rov h ALA 797 CO 0.06 0.60 0.31 -0.07 0.00 0.00 0.00 179.25 180.15 1rov h LEU 798 N 0.89 0.49 -0.39 0.00 4.07 -1.36 0.32 115.31 119.32 1rov h LEU 798 Ca 0.16 0.01 -0.05 0.00 0.08 0.00 0.00 57.88 58.08 1rov h LEU 798 Cb 0.56 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 42.19 1rov h LEU 798 CO 0.03 0.34 0.05 -0.33 -1.08 0.00 0.00 178.44 177.45 1rov h GLU 799 N 0.61 0.66 -0.55 1.13 4.39 -1.26 -0.88 114.58 118.68 1rov h GLU 799 Ca 0.22 -0.18 -0.09 0.00 0.34 0.00 0.00 59.36 59.65 1rov h GLU 799 Cb 0.06 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 1rov h GLU 799 CO -0.11 0.72 0.00 0.00 -1.16 0.00 0.00 179.01 178.46 1rov h ALA 800 N 0.91 0.96 -0.70 3.43 0.00 -0.75 -1.08 119.26 122.04 1rov h ALA 800 Ca 0.12 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.78 1rov h ALA 800 Cb 0.39 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 1rov h ALA 800 CO 0.01 0.63 0.42 0.35 0.00 0.00 0.00 179.25 180.66 1rov h PHE 801 N 0.87 0.78 0.01 0.00 3.57 -0.20 -1.01 116.94 120.96 1rov h PHE 801 Ca 0.16 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.70 1rov h PHE 801 Cb 0.51 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 1rov h PHE 801 CO 0.03 0.42 -0.10 -0.22 -2.23 0.00 0.00 178.31 176.21 1rov h LYS 802 N 0.80 -0.17 -0.97 1.11 1.63 -0.66 -1.82 116.57 116.49 1rov h LYS 802 Ca 0.29 0.01 0.21 0.00 -0.85 0.00 0.00 60.65 60.32 1rov h LYS 802 Cb 0.09 0.04 -0.09 0.00 -0.60 0.00 0.00 32.23 31.67 1rov h LYS 802 CO -0.14 -0.11 0.62 0.00 -3.45 0.00 0.00 179.45 176.37 1rov h ARG 803 N -0.18 0.53 -0.06 1.90 3.08 -0.92 -1.15 114.38 117.57 1rov h ARG 803 Ca 0.03 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1rov h ARG 803 Cb 0.22 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 1rov h ARG 803 CO -0.09 0.35 0.01 0.35 -1.07 0.00 0.00 179.97 179.52 1rov h PHE 804 N 0.54 0.11 -1.00 3.04 3.57 -0.39 -1.69 116.94 121.12 1rov h PHE 804 Ca 0.54 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 62.04 1rov h PHE 804 Cb 1.14 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 39.79 1rov h PHE 804 CO -0.00 0.31 0.66 0.78 -2.23 0.00 0.00 178.31 177.83 1rov h GLY 805 N -0.12 1.43 1.36 2.40 0.00 -0.73 -1.97 103.07 105.44 1rov h GLY 805 Ca 0.02 -0.52 -0.09 0.00 0.00 0.00 0.00 47.33 46.75 1rov h GLY 805 CO 0.00 0.48 -0.09 -0.57 0.00 0.00 0.00 176.54 176.36 1rov h ASN 806 N 1.32 0.75 0.17 0.19 -0.00 -1.12 0.17 115.58 117.07 1rov h ASN 806 Ca 0.38 -0.21 0.01 0.00 -0.00 0.00 0.00 56.30 56.47 1rov h ASN 806 Cb -0.09 -0.20 -0.02 0.00 -0.00 0.00 0.00 38.32 38.01 1rov h ASN 806 CO -0.10 0.87 -0.19 0.50 -0.00 0.00 0.00 177.43 178.52 1rov h LYS 807 N 0.70 -0.38 -0.31 6.67 3.64 -1.07 0.17 116.57 125.98 1rov h LYS 807 Ca 0.12 0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.60 1rov h LYS 807 Cb 0.56 0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 32.39 1rov h LYS 807 CO 0.03 -0.26 -0.22 -0.07 -2.27 0.00 0.00 179.45 176.67 1rov h LEU 808 N -0.40 -0.72 -0.75 5.20 3.38 -0.85 0.66 115.31 121.83 1rov h LEU 808 Ca 0.01 0.14 0.12 0.00 0.09 0.00 0.00 57.88 58.25 1rov h LEU 808 Cb 0.39 0.36 -0.09 0.00 0.09 0.00 0.00 40.66 41.41 1rov h LEU 808 CO -0.06 -0.25 0.35 0.00 0.09 0.00 0.00 178.44 178.56 1rov h ALA 809 N 0.95 1.07 -0.59 1.53 0.00 -0.44 0.14 119.26 121.93 1rov h ALA 809 Ca 0.16 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1rov h ALA 809 Cb 0.44 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1rov h ALA 809 CO -0.42 -0.12 0.23 1.96 0.00 0.00 0.00 179.25 180.90 1rov h GLN 810 N 0.54 0.86 -0.01 0.00 4.20 0.01 -2.20 115.11 118.52 1rov h GLN 810 Ca 0.40 -0.13 -0.11 0.00 0.06 0.00 0.00 58.65 58.86 1rov h GLN 810 Cb 0.53 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 1rov h GLN 810 CO -0.34 0.70 -0.52 0.82 -0.67 0.00 0.00 178.83 178.82 1rov h ILE 811 N 0.84 1.37 -0.53 2.54 2.04 -0.06 -2.05 117.51 121.67 1rov h ILE 811 Ca 0.20 -1.79 -0.09 0.00 1.00 0.00 0.00 64.86 64.18 1rov h ILE 811 Cb 0.17 1.96 -0.02 0.00 -0.74 0.00 0.00 36.82 38.18 1rov h ILE 811 CO -0.02 0.51 -0.04 -0.08 0.00 0.00 0.00 178.15 178.53 1rov h GLU 812 N 0.01 0.94 -0.16 2.37 4.81 -0.11 -0.21 114.58 122.24 1rov h GLU 812 Ca -0.00 -0.29 -0.02 0.00 -0.13 0.00 0.00 59.36 58.91 1rov h GLU 812 Cb 0.93 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.22 1rov h GLU 812 CO 0.07 0.95 0.02 -0.91 -0.73 0.00 0.00 179.01 178.41 1rov h ASN 813 N 0.86 0.25 -0.54 1.04 -0.26 -1.28 -1.72 115.58 113.93 1rov h ASN 813 Ca 0.15 -0.26 0.10 0.00 -0.56 0.00 0.00 56.30 55.72 1rov h ASN 813 Cb 0.55 -0.07 -0.08 0.00 -1.06 0.00 0.00 38.32 37.67 1rov h ASN 813 CO 0.03 0.45 0.10 0.50 -1.06 0.00 0.00 177.43 177.46 1rov h LYS 814 N 0.04 0.23 -0.21 0.81 3.64 -1.01 -0.89 116.57 119.18 1rov h LYS 814 Ca 0.05 -0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.26 1rov h LYS 814 Cb 0.31 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1rov h LYS 814 CO 0.00 0.15 -0.50 -0.07 -2.27 0.00 0.00 179.45 176.77 1rov h LEU 815 N 0.24 0.63 -0.96 5.20 4.07 -0.98 -1.84 115.31 121.66 1rov h LEU 815 Ca 0.27 -0.32 -0.08 0.00 0.08 0.00 0.00 57.88 57.83 1rov h LEU 815 Cb 0.38 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 41.93 1rov h LEU 815 CO -0.36 1.02 -0.10 0.28 -1.08 0.00 0.00 178.44 178.20 1rov h SER 816 N 0.46 0.62 -0.53 -0.43 0.02 -0.90 -2.44 113.55 110.35 1rov h SER 816 Ca 0.02 -0.17 -0.05 0.00 -0.84 0.00 0.00 61.79 60.75 1rov h SER 816 Cb 1.03 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.38 1rov h SER 816 CO 0.10 0.76 0.11 -0.08 -1.14 0.00 0.00 176.83 176.58 1rov h GLU 817 N 0.59 0.85 -0.96 3.45 4.81 -0.81 -2.41 114.58 120.10 1rov h GLU 817 Ca 0.11 -0.21 0.04 0.00 -0.13 0.00 0.00 59.36 59.16 1rov h GLU 817 Cb 0.52 -0.11 -0.06 0.00 0.63 0.00 0.00 28.75 29.74 1rov h GLU 817 CO 0.03 0.82 0.63 0.00 -0.73 0.00 0.00 179.01 179.76 1rov h ARG 818 N 0.74 1.18 0.00 1.92 3.08 -1.03 -2.36 114.38 117.91 1rov h ARG 818 Ca 0.16 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1rov h ARG 818 Cb 0.36 -0.27 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1rov h ARG 818 CO 0.00 0.78 0.00 -0.91 -1.07 0.00 0.00 179.97 178.77 1rov h ASN 819 N 1.21 0.00 -0.34 7.04 -0.26 -0.96 -1.85 115.58 120.42 1rov h ASN 819 Ca 0.39 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.13 1rov h ASN 819 Cb 0.01 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.27 1rov h ASN 819 CO -0.13 0.00 0.00 0.59 -1.06 0.00 0.00 177.43 176.83 1rov n ASN 820 N -2.97 2.75 -4.43 5.81 5.03 -0.90 -4.82 115.26 115.72 1rov n ASN 820 Ca -0.00 -1.90 -0.44 0.00 0.87 0.00 0.00 54.58 53.11 1rov n ASN 820 Cb 0.22 -0.22 -0.04 0.00 -1.02 0.00 0.00 39.78 38.72 1rov n ASN 820 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1rov s ASP 821 N -1.43 6.25 0.52 6.41 -1.08 -0.70 -4.93 116.67 121.72 1rov s ASP 821 Ca 0.36 -1.27 0.25 0.00 -0.52 0.00 0.00 52.55 51.37 1rov s ASP 821 Cb 0.20 -2.39 1.36 0.00 -1.46 0.00 0.00 42.92 40.64 1rov s ASP 821 CO 0.29 -1.31 1.74 1.05 0.52 0.00 0.00 175.17 177.46 1rov h GLU 822 N 9.36 0.00 0.00 4.34 9.09 -1.87 -1.72 114.58 133.77 1rov h GLU 822 Ca -0.22 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.19 1rov h GLU 822 Cb 1.07 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.17 1rov h GLU 822 CO 1.15 0.00 -0.08 0.87 0.05 0.00 0.00 179.01 181.00 1rov h LYS 823 N 0.00 0.00 -3.70 1.06 1.57 -1.95 -3.37 116.57 110.18 1rov h LYS 823 Ca 0.00 0.00 -0.79 0.00 -1.87 0.00 0.00 60.65 57.99 1rov h LYS 823 Cb 0.52 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 32.56 1rov h LYS 823 CO 0.00 0.00 0.47 -0.51 -0.57 0.00 0.00 179.45 178.84 1rov s LEU 824 N -4.83 6.30 0.41 2.94 1.43 -0.65 -4.88 118.68 119.40 1rov s LEU 824 Ca 0.09 -3.41 0.11 0.00 -1.03 0.00 0.00 54.13 49.89 1rov s LEU 824 Cb 0.11 -2.23 0.86 0.00 0.03 0.00 0.00 46.19 44.96 1rov s LEU 824 CO 0.63 -0.37 1.95 -0.09 0.23 0.00 0.00 176.35 178.69 1rov h ARG 825 N 6.88 0.16 0.00 1.70 1.12 -1.82 -2.80 114.38 119.62 1rov h ARG 825 Ca 0.18 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 59.01 1rov h ARG 825 Cb 0.90 -0.02 0.00 0.00 -0.01 0.00 0.00 29.97 30.83 1rov h ARG 825 CO 0.99 0.31 0.00 -0.91 -3.11 0.00 0.00 179.97 177.25 1rov h ASN 826 N 0.16 0.00 1.14 -3.80 2.35 -1.90 0.58 115.58 114.11 1rov h ASN 826 Ca 0.03 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.72 1rov h ASN 826 Cb 0.34 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 1rov h ASN 826 CO 0.02 0.00 -0.32 0.03 -1.65 0.00 0.00 177.43 175.51 1rov h ARG 827 N 0.00 0.00 0.00 0.81 3.08 -1.83 -3.41 114.38 113.03 1rov h ARG 827 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1rov h ARG 827 Cb 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 1rov h ARG 827 CO 0.00 0.32 -0.59 0.00 -1.07 0.00 0.00 179.97 178.63 1rov n GLY 829 N 2.83 -1.85 0.32 0.00 0.00 0.17 -1.16 105.19 105.51 1rov n GLY 829 Ca -0.07 -1.22 0.20 0.00 0.00 0.00 0.00 46.02 44.93 1rov n GLY 829 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1rov h PRO 830 N 0.00 0.00 0.00 1.61 0.10 -1.91 -0.11 132.00 131.69 1rov h PRO 830 Ca 0.02 0.00 0.00 0.00 0.10 0.00 0.00 66.00 66.12 1rov h PRO 830 Cb 0.81 0.00 0.00 0.00 0.10 0.00 0.00 31.00 31.91 1rov h PRO 830 CO 0.01 0.01 0.00 1.55 0.10 0.00 0.00 178.00 179.66 1rov n VAL 831 N -3.28 0.68 -3.45 3.15 3.14 -1.25 -4.74 118.33 112.57 1rov n VAL 831 Ca -0.03 -0.14 -0.21 0.00 -2.96 0.00 0.00 64.34 61.00 1rov n VAL 831 Cb 0.10 -0.76 0.05 0.00 -1.06 0.00 0.00 33.84 32.16 1rov n VAL 831 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1rov n GLN 832 N -2.29 -1.65 -3.57 1.45 6.02 -0.05 -4.51 117.38 112.77 1rov n GLN 832 Ca 0.04 0.74 -0.29 0.00 -0.01 0.00 0.00 57.00 57.49 1rov n GLN 832 Cb 0.38 -4.91 -0.12 0.00 1.02 0.00 0.00 30.24 26.61 1rov n GLN 832 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 1rov s MET 833 N -4.99 1.10 -0.05 -1.09 1.75 -0.31 -4.88 119.30 110.83 1rov s MET 833 Ca 0.40 -1.98 -0.38 0.00 -1.25 0.00 0.00 55.69 52.48 1rov s MET 833 Cb -0.10 -1.91 -0.16 0.00 2.84 0.00 0.00 34.83 35.50 1rov s MET 833 CO 0.80 -1.25 1.51 -2.30 -0.65 0.00 0.00 175.02 173.13 1rov n PRO 834 N 3.33 1.21 -2.13 4.11 -0.02 -1.26 -4.31 135.00 135.94 1rov n PRO 834 Ca 0.17 0.44 -0.42 0.00 -2.02 0.00 0.00 63.50 61.67 1rov n PRO 834 Cb 0.39 -2.11 -0.03 0.00 -0.02 0.00 0.00 33.50 31.74 1rov n PRO 834 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1rov s TYR 835 N 1.73 1.96 -0.00 6.00 5.04 0.10 -4.82 117.35 127.36 1rov s TYR 835 Ca 0.90 0.65 0.01 0.00 -2.44 0.00 0.00 57.07 56.19 1rov s TYR 835 Cb -0.98 -4.19 0.01 0.00 0.35 0.00 0.00 41.96 37.15 1rov s TYR 835 CO 0.54 -2.50 0.89 2.41 -1.34 0.00 0.00 175.55 175.55 1rov n THR 836 N 7.24 0.80 0.30 4.34 -1.04 -1.26 -4.76 114.28 119.90 1rov n THR 836 Ca 0.20 -0.81 0.17 0.00 -2.04 0.00 0.00 64.05 61.57 1rov n THR 836 Cb 0.48 0.59 0.73 0.00 -1.82 0.00 0.00 70.33 70.31 1rov n THR 836 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1rov h LEU 837 N 0.00 0.00 -2.92 -4.42 4.07 -1.80 -1.85 115.31 108.38 1rov h LEU 837 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1rov h LEU 837 Cb 0.63 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.37 1rov h LEU 837 CO 0.00 0.00 0.00 0.18 -1.08 0.00 0.00 178.44 177.54 1rov n LEU 838 N -2.94 3.49 -4.69 1.67 7.99 -1.26 -4.32 117.00 116.93 1rov n LEU 838 Ca 0.00 -2.16 -0.42 0.00 -0.01 0.00 0.00 56.01 53.42 1rov n LEU 838 Cb 0.25 -0.37 -0.03 0.00 -0.11 0.00 0.00 43.42 43.17 1rov n LEU 838 CO 0.25 0.80 1.09 -0.76 -1.51 0.00 0.00 177.39 177.25 1rov s LEU 839 N -1.29 4.33 0.38 2.23 1.02 -0.70 -4.93 118.68 119.72 1rov s LEU 839 Ca 0.35 2.14 0.06 0.00 0.02 0.00 0.00 54.13 56.70 1rov s LEU 839 Cb 0.20 -3.57 0.75 0.00 0.02 0.00 0.00 46.19 43.59 1rov s LEU 839 CO 0.20 -0.69 1.96 -0.65 0.02 0.00 0.00 176.35 177.19 1rov h PRO 840 N 7.58 0.47 -6.45 1.29 0.11 -1.89 -1.44 132.00 131.67 1rov h PRO 840 Ca -0.39 -0.07 -0.54 0.00 0.11 0.00 0.00 66.00 65.12 1rov h PRO 840 Cb 1.19 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 1rov h PRO 840 CO 0.89 0.43 -0.11 -1.12 -0.21 0.00 0.00 178.00 177.88 1rov s SER 841 N -6.75 6.61 -0.11 -2.05 0.01 -1.26 -1.53 113.70 108.62 1rov s SER 841 Ca -0.07 0.91 -0.30 0.00 1.31 0.00 0.00 55.95 57.80 1rov s SER 841 Cb 0.16 -2.22 0.08 0.00 0.21 0.00 0.00 66.02 64.26 1rov s SER 841 CO 0.74 -0.09 0.77 -0.55 0.41 0.00 0.00 173.24 174.52 1rov s SER 842 N -2.43 -0.60 0.29 2.44 0.15 -1.26 -3.58 113.70 108.70 1rov s SER 842 Ca 0.47 0.76 0.26 0.00 0.70 0.00 0.00 55.95 58.14 1rov s SER 842 Cb -0.11 0.64 0.83 0.00 -1.71 0.00 0.00 66.02 65.66 1rov s SER 842 CO 0.22 -0.48 1.75 0.07 1.20 0.00 0.00 173.24 176.00 1rov h LYS 843 N 3.25 0.00 0.00 5.44 2.10 -2.00 -3.49 116.57 121.87 1rov h LYS 843 Ca -0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 1rov h LYS 843 Cb 1.15 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.48 1rov h LYS 843 CO 0.31 0.00 0.00 -1.91 -2.00 0.00 0.00 179.45 175.85 1rov n GLU 844 N -2.46 0.00 0.00 0.07 2.13 -1.26 -4.94 120.64 114.18 1rov n GLU 844 Ca 0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.86 1rov n GLU 844 Cb 0.39 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.10 1rov n GLU 844 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1rov n GLY 845 N 0.92 -0.71 3.45 8.31 0.00 -0.04 -4.75 105.19 112.38 1rov n GLY 845 Ca 0.00 -1.44 -0.44 0.00 0.00 0.00 0.00 46.02 44.15 1rov n GLY 845 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1rov s LEU 846 N 0.00 4.85 0.27 0.99 2.96 -1.26 -0.96 118.68 125.52 1rov s LEU 846 Ca 0.00 -1.77 0.09 0.00 -0.22 0.00 0.00 54.13 52.23 1rov s LEU 846 Cb 0.00 -2.41 -0.05 0.00 0.50 0.00 0.00 46.19 44.23 1rov s LEU 846 CO 0.00 -1.17 -0.13 0.28 -1.32 0.00 0.00 176.35 174.02 1rov s THR 847 N 3.09 1.97 -0.71 3.68 -1.32 -1.26 -5.01 115.64 116.08 1rov s THR 847 Ca 0.30 -2.23 0.03 0.00 -1.21 0.00 0.00 61.69 58.58 1rov s THR 847 Cb -0.08 -2.32 0.34 0.00 -1.51 0.00 0.00 72.50 68.94 1rov s THR 847 CO -0.05 -0.40 1.28 0.33 -2.21 0.00 0.00 174.62 173.57 1rov n PHE 848 N -0.56 3.57 -3.84 9.09 7.35 -1.26 -4.91 117.46 126.90 1rov n PHE 848 Ca -0.06 -3.40 -0.01 0.00 -0.76 0.00 0.00 57.45 53.21 1rov n PHE 848 Cb 0.62 -0.69 0.01 0.00 0.35 0.00 0.00 39.48 39.76 1rov n PHE 848 CO 0.00 0.00 0.00 -0.98 -0.76 0.00 0.00 176.76 175.02 1rov s ARG 849 N -3.77 1.00 0.00 -4.13 1.70 -1.26 -2.48 118.95 110.01 1rov s ARG 849 Ca 0.46 -0.62 0.00 0.00 -0.47 0.00 0.00 55.73 55.10 1rov s ARG 849 Cb 0.27 0.30 0.00 0.00 -0.57 0.00 0.00 34.95 34.95 1rov s ARG 849 CO -0.16 -0.46 0.00 0.41 -1.08 0.00 0.00 175.30 174.01 1rov n GLY 850 N -0.66 -0.87 3.24 3.88 0.00 -0.55 -4.79 105.19 105.44 1rov n GLY 850 Ca -0.03 -1.07 -0.41 0.00 0.00 0.00 0.00 46.02 44.51 1rov n GLY 850 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rov s ILE 851 N -0.16 4.23 0.66 -0.61 1.09 -0.58 -4.92 121.20 120.91 1rov s ILE 851 Ca 0.00 -1.59 -0.16 0.00 -1.10 0.00 0.00 60.65 57.80 1rov s ILE 851 Cb 0.00 -3.69 0.00 0.00 -1.06 0.00 0.00 42.46 37.72 1rov s ILE 851 CO 0.00 -0.64 1.19 -2.84 -0.10 0.00 0.00 174.94 172.55 1rov s PRO 852 N 1.40 2.59 0.55 2.79 0.02 -1.26 -0.13 135.00 140.96 1rov s PRO 852 Ca 0.04 1.70 0.23 0.00 0.02 0.00 0.00 61.00 63.00 1rov s PRO 852 Cb -0.25 -1.89 1.53 0.00 0.02 0.00 0.00 34.50 33.91 1rov s PRO 852 CO 0.01 -1.47 2.18 -0.91 -0.33 0.00 0.00 177.00 176.47 1rov h ASN 853 N 0.22 0.00 -4.69 2.53 2.35 -1.19 -3.40 115.58 111.40 1rov h ASN 853 Ca -0.48 0.00 -0.50 0.00 -0.55 0.00 0.00 56.30 54.77 1rov h ASN 853 Cb 1.29 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 39.52 1rov h ASN 853 CO 0.53 0.03 -0.51 -0.94 -1.65 0.00 0.00 177.43 174.89 1rov s SER 854 N -6.55 2.10 -0.62 5.81 1.04 -1.23 -4.10 113.70 110.15 1rov s SER 854 Ca -0.05 -1.71 -0.21 0.00 0.48 0.00 0.00 55.95 54.46 1rov s SER 854 Cb 0.16 0.54 0.09 0.00 0.10 0.00 0.00 66.02 66.90 1rov s SER 854 CO 0.61 -1.00 0.83 -0.63 0.98 0.00 0.00 173.24 174.02 1rov s ILE 855 N -3.38 4.58 -0.29 -1.02 1.01 -1.07 -4.71 121.20 116.33 1rov s ILE 855 Ca 0.33 -0.67 0.03 0.00 0.00 0.00 0.00 60.65 60.34 1rov s ILE 855 Cb 0.03 -4.58 0.05 0.00 0.01 0.00 0.00 42.46 37.96 1rov s ILE 855 CO 0.21 -1.27 0.81 -1.54 0.00 0.00 0.00 174.94 173.14 1rov n SER 856 N 6.99 1.69 0.00 3.58 3.41 -1.26 -3.53 113.62 124.49 1rov n SER 856 Ca -0.07 -1.53 0.00 0.00 -0.26 0.00 0.00 58.87 57.02 1rov n SER 856 Cb 0.44 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 1rov n SER 856 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88