#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u0r s ALA 3 N 0.00 3.28 -0.08 1.79 0.00 -1.26 -5.00 121.76 120.50 1u0r s ALA 3 Ca 0.00 0.66 -0.31 0.00 0.00 0.00 0.00 51.96 52.31 1u0r s ALA 3 Cb 0.00 -3.24 0.12 0.00 0.00 0.00 0.00 23.12 20.00 1u0r s ALA 3 CO 0.00 0.07 1.05 -1.58 0.00 0.00 0.00 175.76 175.30 1u0r s HIS 4 N -1.37 -0.23 -0.15 0.00 5.04 -1.26 -5.16 115.29 112.17 1u0r s HIS 4 Ca 0.47 0.12 0.02 0.00 -1.54 0.00 0.00 55.06 54.13 1u0r s HIS 4 Cb -0.25 0.53 0.01 0.00 0.04 0.00 0.00 32.58 32.92 1u0r s HIS 4 CO 0.31 -0.40 -0.21 1.03 -2.34 0.00 0.00 174.74 173.13 1u0r s ARG 5 N -2.79 2.93 -0.05 2.88 1.81 -1.26 -5.08 118.95 117.39 1u0r s ARG 5 Ca 0.08 -0.82 0.06 0.00 -1.72 0.00 0.00 55.73 53.33 1u0r s ARG 5 Cb -0.01 -2.44 -0.01 0.00 -0.45 0.00 0.00 34.95 32.05 1u0r s ARG 5 CO -0.06 -0.09 -0.23 -1.12 -0.68 0.00 0.00 175.30 173.11 1u0r s SER 6 N 1.01 2.86 -0.18 0.23 0.01 -1.26 -3.54 113.70 112.84 1u0r s SER 6 Ca -0.02 -0.47 -0.03 0.00 1.31 0.00 0.00 55.95 56.73 1u0r s SER 6 Cb -0.15 -0.73 0.06 0.00 0.21 0.00 0.00 66.02 65.41 1u0r s SER 6 CO -0.06 0.23 0.04 -0.69 0.41 0.00 0.00 173.24 173.18 1u0r s VAL 7 N -0.17 0.38 -0.42 3.43 1.01 -1.26 -1.64 120.40 121.72 1u0r s VAL 7 Ca -0.02 -0.41 -0.29 0.00 0.00 0.00 0.00 61.98 61.26 1u0r s VAL 7 Cb -0.13 -0.89 0.01 0.00 0.00 0.00 0.00 36.38 35.37 1u0r s VAL 7 CO 0.03 -0.18 1.46 -0.22 0.00 0.00 0.00 175.10 176.18 1u0r s LEU 8 N 1.93 3.56 0.34 3.92 2.96 -1.02 -1.42 118.68 128.95 1u0r s LEU 8 Ca 0.00 0.83 -0.26 0.00 -0.22 0.00 0.00 54.13 54.48 1u0r s LEU 8 Cb -0.16 -3.49 -0.10 0.00 0.50 0.00 0.00 46.19 42.94 1u0r s LEU 8 CO -0.08 -1.50 0.97 -0.22 -1.32 0.00 0.00 176.35 174.20 1u0r s LEU 9 N 5.70 4.31 -0.03 -0.68 2.96 -1.06 -0.68 118.68 129.20 1u0r s LEU 9 Ca 0.63 1.89 0.01 0.00 -0.22 0.00 0.00 54.13 56.44 1u0r s LEU 9 Cb -0.14 -4.03 0.02 0.00 0.50 0.00 0.00 46.19 42.53 1u0r s LEU 9 CO 0.32 -0.15 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.49 1u0r s VAL 10 N -1.61 0.29 0.02 1.68 1.01 -1.09 -4.58 120.40 116.12 1u0r s VAL 10 Ca 0.51 -0.02 -0.04 0.00 0.00 0.00 0.00 61.98 62.44 1u0r s VAL 10 Cb -0.20 -0.34 -0.01 0.00 0.00 0.00 0.00 36.38 35.83 1u0r s VAL 10 CO 0.25 0.15 0.05 0.54 0.00 0.00 0.00 175.10 176.09 1u0r s VAL 11 N 0.76 0.11 -0.71 2.92 0.11 -1.26 -1.94 120.40 120.40 1u0r s VAL 11 Ca -0.08 -0.94 -0.23 0.00 -2.93 0.00 0.00 61.98 57.80 1u0r s VAL 11 Cb -0.11 -0.53 0.07 0.00 -1.53 0.00 0.00 36.38 34.28 1u0r s VAL 11 CO -0.01 -0.52 1.03 -2.28 -3.33 0.00 0.00 175.10 170.00 1u0r s HIS 12 N -1.83 2.67 0.49 1.54 2.46 -1.09 -5.02 115.29 114.50 1u0r s HIS 12 Ca -0.12 -0.58 -0.23 0.00 0.47 0.00 0.00 55.06 54.60 1u0r s HIS 12 Cb -0.06 -4.34 -0.06 0.00 -0.13 0.00 0.00 32.58 27.98 1u0r s HIS 12 CO -0.01 -1.69 1.32 0.99 -2.47 0.00 0.00 174.74 172.87 1u0r s THR 13 N 4.15 2.36 0.00 0.89 2.01 -1.26 -4.89 115.64 118.90 1u0r s THR 13 Ca 0.25 0.29 0.00 0.00 0.31 0.00 0.00 61.69 62.54 1u0r s THR 13 Cb -0.14 -3.15 0.00 0.00 0.01 0.00 0.00 72.50 69.21 1u0r s THR 13 CO 0.08 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.63 1u0r n GLY 14 N 0.64 0.99 0.02 4.40 0.00 -1.26 -5.00 105.19 104.97 1u0r n GLY 14 Ca 0.08 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1u0r n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u0r n ALA 18 N -1.38 0.00 -2.79 4.61 0.00 -1.26 -5.06 120.51 114.63 1u0r n ALA 18 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1u0r n ALA 18 Cb 0.29 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.73 1u0r n ALA 18 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1u0r s THR 19 N 0.00 4.59 0.00 0.00 -4.23 -1.26 -2.17 115.64 112.57 1u0r s THR 19 Ca 0.00 -2.12 0.00 0.00 -1.18 0.00 0.00 61.69 58.39 1u0r s THR 19 Cb 0.00 -5.01 0.00 0.00 1.34 0.00 0.00 72.50 68.83 1u0r s THR 19 CO 0.00 -1.77 0.00 -1.84 -0.54 0.00 0.00 174.62 170.47 1u0r n GLU 20 N 6.96 0.00 0.26 3.99 -0.00 -1.26 -4.67 120.64 125.91 1u0r n GLU 20 Ca 0.39 0.00 0.18 0.00 -0.00 0.00 0.00 57.16 57.73 1u0r n GLU 20 Cb 0.45 0.00 0.90 0.00 -0.00 0.00 0.00 31.44 32.79 1u0r n GLU 20 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.13 178.92 1u0r h THR 21 N 0.00 0.00 0.00 3.84 1.35 -1.86 0.78 112.91 117.01 1u0r h THR 21 Ca 0.00 -0.10 -0.04 0.00 -0.55 0.00 0.00 66.41 65.72 1u0r h THR 21 Cb 0.00 0.92 -0.01 0.00 -1.73 0.00 0.00 68.15 67.33 1u0r h THR 21 CO 0.00 0.00 -0.20 0.00 -0.25 0.00 0.00 175.52 175.07 1u0r h ALA 22 N 2.02 1.04 0.00 6.62 0.00 -1.83 -0.79 119.26 126.33 1u0r h ALA 22 Ca 0.00 -0.19 -0.22 0.00 0.00 0.00 0.00 54.91 54.51 1u0r h ALA 22 Cb 0.11 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1u0r h ALA 22 CO 0.00 0.25 -1.45 0.07 0.00 0.00 0.00 179.25 178.13 1u0r h ARG 23 N 0.00 0.00 0.00 0.00 -0.00 -1.19 -2.30 114.38 110.89 1u0r h ARG 23 Ca -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 59.98 59.94 1u0r h ARG 23 Cb 0.69 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.66 1u0r h ARG 23 CO 0.03 0.43 -0.16 -0.09 -0.00 0.00 0.00 179.97 180.18 1u0r h ARG 24 N 0.00 0.00 -0.15 0.08 9.65 -1.13 2.64 114.38 125.46 1u0r h ARG 24 Ca -0.19 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.66 1u0r h ARG 24 Cb 1.76 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 30.33 1u0r h ARG 24 CO 0.07 0.16 -0.00 0.28 2.80 0.00 0.00 179.97 183.27 1u0r h VAL 25 N 0.00 1.25 -0.43 0.20 2.07 -1.11 -3.00 116.25 115.23 1u0r h VAL 25 Ca -0.00 -0.84 -0.09 0.00 0.82 0.00 0.00 66.70 66.59 1u0r h VAL 25 Cb 0.28 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 1u0r h VAL 25 CO 0.02 0.25 -0.10 -0.33 0.02 0.00 0.00 177.57 177.43 1u0r h GLU 26 N 0.01 0.76 0.00 1.57 5.08 0.10 0.45 114.58 122.54 1u0r h GLU 26 Ca 0.04 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1u0r h GLU 26 Cb 0.38 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1u0r h GLU 26 CO 0.01 0.83 0.00 1.17 -1.00 0.00 0.00 179.01 180.02 1u0r n LYS 27 N -4.17 0.00 -0.30 2.33 4.81 0.82 -2.97 118.16 118.67 1u0r n LYS 27 Ca 0.01 0.18 0.23 0.00 -0.87 0.00 0.00 58.31 57.86 1u0r n LYS 27 Cb 0.35 -1.12 0.53 0.00 0.02 0.00 0.00 35.03 34.82 1u0r n LYS 27 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1u0r h VAL 28 N 0.00 0.55 0.00 3.15 2.07 -1.52 0.55 116.25 121.05 1u0r h VAL 28 Ca 0.00 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1u0r h VAL 28 Cb 0.00 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 29.93 1u0r h VAL 28 CO 0.00 0.06 0.00 -0.07 0.02 0.00 0.00 177.57 177.58 1u0r h LEU 29 N 0.35 0.00 0.00 2.57 3.38 -1.01 -3.09 115.31 117.52 1u0r h LEU 29 Ca 0.56 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.45 1u0r h LEU 29 Cb 1.50 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.24 1u0r h LEU 29 CO -0.24 0.00 -0.56 1.23 0.09 0.00 0.00 178.44 178.96 1u0r h GLY 30 N 2.76 0.00 1.65 0.83 0.00 0.21 -1.46 103.07 107.06 1u0r h GLY 30 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1u0r h GLY 30 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 176.54 178.63 1u0r n ASP 31 N -4.58 0.00 -0.90 0.19 3.85 -1.04 -0.16 116.55 113.90 1u0r n ASP 31 Ca -0.16 0.30 0.08 0.00 -0.71 0.00 0.00 54.79 54.30 1u0r n ASP 31 Cb 0.42 -0.33 0.21 0.00 -1.35 0.00 0.00 41.12 40.07 1u0r n ASP 31 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 1u0r n ASN 32 N -1.33 3.24 -3.73 -1.12 3.02 -1.17 -4.97 115.26 109.20 1u0r n ASN 32 Ca 0.01 -1.96 -0.26 0.00 -0.03 0.00 0.00 54.58 52.34 1u0r n ASN 32 Cb 0.02 -0.30 0.05 0.00 -0.61 0.00 0.00 39.78 38.94 1u0r n ASN 32 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1u0r n LYS 33 N 0.97 -6.54 0.00 3.52 5.02 0.77 -5.00 118.16 116.90 1u0r n LYS 33 Ca 0.16 0.71 0.00 0.00 -2.02 0.00 0.00 58.31 57.16 1u0r n LYS 33 Cb 0.50 -5.65 0.00 0.00 -0.02 0.00 0.00 35.03 29.86 1u0r n LYS 33 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1u0r n ILE 34 N -4.73 0.00 0.00 -0.18 2.08 -0.55 -4.67 119.36 111.31 1u0r n ILE 34 Ca -0.03 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.28 1u0r n ILE 34 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.46 1u0r n ILE 34 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1u0r n ALA 35 N -3.00 0.00 -3.10 -1.39 0.00 -1.23 -4.34 120.51 107.45 1u0r n ALA 35 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1u0r n ALA 35 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 1u0r n ALA 35 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1u0r n LEU 36 N -2.26 -5.09 -4.83 0.00 -0.00 -1.21 -3.24 117.00 100.35 1u0r n LEU 36 Ca 0.00 0.54 -0.30 0.00 -0.00 0.00 0.00 56.01 56.24 1u0r n LEU 36 Cb 0.00 -2.31 0.06 0.00 -0.00 0.00 0.00 43.42 41.17 1u0r n LEU 36 CO 0.00 -1.66 0.72 -0.13 -0.00 0.00 0.00 177.39 176.32 1u0r s ARG 37 N -1.77 2.66 0.16 1.96 0.52 -0.50 -1.56 118.95 120.41 1u0r s ARG 37 Ca 0.14 0.70 -0.15 0.00 -0.52 0.00 0.00 55.73 55.90 1u0r s ARG 37 Cb -0.02 -1.98 0.02 0.00 0.52 0.00 0.00 34.95 33.49 1u0r s ARG 37 CO 0.53 -1.23 0.42 0.08 0.02 0.00 0.00 175.30 175.12 1u0r s VAL 38 N -3.17 0.05 0.30 3.52 1.01 -1.26 -2.56 120.40 118.29 1u0r s VAL 38 Ca 0.59 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.72 1u0r s VAL 38 Cb -0.13 -1.50 0.06 0.00 0.00 0.00 0.00 36.38 34.80 1u0r s VAL 38 CO 0.54 -0.24 0.41 0.18 0.00 0.00 0.00 175.10 175.99 1u0r n LEU 39 N -0.27 0.00 0.00 3.92 7.99 -1.26 -3.87 117.00 123.52 1u0r n LEU 39 Ca -0.11 -1.02 0.00 0.00 -0.01 0.00 0.00 56.01 54.87 1u0r n LEU 39 Cb 0.63 -0.25 0.00 0.00 -0.11 0.00 0.00 43.42 43.69 1u0r n LEU 39 CO 0.19 -0.67 0.46 -1.20 -1.51 0.00 0.00 177.39 174.66 1u0r n SER 40 N -2.85 0.00 -0.24 -1.43 7.64 -0.91 -2.81 113.62 113.03 1u0r n SER 40 Ca 0.07 0.92 0.21 0.00 1.01 0.00 0.00 58.87 61.08 1u0r n SER 40 Cb 0.27 -0.42 0.54 0.00 -1.01 0.00 0.00 64.21 63.59 1u0r n SER 40 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1u0r h ALA 41 N -1.84 2.30 0.00 -0.43 0.00 -1.96 0.20 119.26 117.53 1u0r h ALA 41 Ca 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1u0r h ALA 41 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1u0r h ALA 41 CO 0.00 -0.58 -0.19 1.49 0.00 0.00 0.00 179.25 179.96 1u0r h GLU 42 N 0.34 0.00 -0.62 0.00 4.57 -1.88 -3.10 114.58 113.90 1u0r h GLU 42 Ca 0.47 0.00 -0.43 0.00 -1.18 0.00 0.00 59.36 58.21 1u0r h GLU 42 Cb 1.26 0.00 -0.40 0.00 -0.16 0.00 0.00 28.75 29.45 1u0r h GLU 42 CO -0.16 0.19 -0.89 0.00 -1.18 0.00 0.00 179.01 176.98 1u0r n ALA 43 N -2.32 4.26 -0.17 2.92 0.00 0.69 -2.86 120.51 123.02 1u0r n ALA 43 Ca -0.01 -3.46 0.00 0.00 0.00 0.00 0.00 53.44 49.96 1u0r n ALA 43 Cb 0.31 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.28 1u0r n ALA 43 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1u0r n VAL 44 N -0.68 0.08 -2.34 0.00 0.31 -1.00 -5.00 118.33 109.71 1u0r n VAL 44 Ca 0.32 -0.46 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1u0r n VAL 44 Cb 0.92 1.11 0.00 0.00 -0.91 0.00 0.00 33.84 34.95 1u0r n VAL 44 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1u0r n ASP 45 N -0.04 0.00 -3.57 4.52 3.85 -1.25 -5.10 116.55 114.96 1u0r n ASP 45 Ca 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.08 1u0r n ASP 45 Cb 0.07 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.84 1u0r n ASP 45 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1u0r n ARG 46 N 0.00 -0.04 0.00 0.11 5.12 -1.26 -3.69 116.66 116.90 1u0r n ARG 46 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1u0r n ARG 46 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 1u0r n ARG 46 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1u0r n GLY 47 N 0.35 0.71 2.85 -0.13 0.00 -1.26 -4.20 105.19 103.50 1u0r n GLY 47 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1u0r n GLY 47 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1u0r n SER 48 N 1.42 7.42 -0.16 1.61 3.41 -1.14 -4.70 113.62 121.48 1u0r n SER 48 Ca 0.00 -3.76 0.19 0.00 -0.26 0.00 0.00 58.87 55.04 1u0r n SER 48 Cb 0.00 -1.10 0.56 0.00 -0.26 0.00 0.00 64.21 63.42 1u0r n SER 48 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1u0r h LEU 49 N 3.20 0.29 -4.49 1.04 6.46 -1.73 -1.00 115.31 119.08 1u0r h LEU 49 Ca 0.55 0.02 -0.69 0.00 -0.12 0.00 0.00 57.88 57.64 1u0r h LEU 49 Cb 0.12 -0.03 -0.32 0.00 -0.73 0.00 0.00 40.66 39.70 1u0r h LEU 49 CO 1.36 0.13 0.53 0.00 -0.62 0.00 0.00 178.44 179.85 1u0r n HIS 50 N -4.45 3.10 0.24 1.25 1.44 -1.26 -4.88 115.22 110.67 1u0r n HIS 50 Ca 0.16 -2.65 0.11 0.00 -2.01 0.00 0.00 57.72 53.32 1u0r n HIS 50 Cb 0.65 -1.01 0.58 0.00 0.12 0.00 0.00 29.99 30.33 1u0r n HIS 50 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 1u0r h LEU 51 N 2.54 0.00-10.04 2.39 3.38 -1.53 -3.45 115.31 108.61 1u0r h LEU 51 Ca 0.52 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.99 1u0r h LEU 51 Cb 0.56 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1u0r h LEU 51 CO 1.32 0.00 0.05 0.00 0.09 0.00 0.00 178.44 179.90 1u0r s ALA 52 N -3.70 3.39 -0.03 1.53 0.00 -1.26 -4.98 121.76 116.71 1u0r s ALA 52 Ca -0.02 -0.09 0.25 0.00 0.00 0.00 0.00 51.96 52.09 1u0r s ALA 52 Cb 0.06 -2.67 0.77 0.00 0.00 0.00 0.00 23.12 21.28 1u0r s ALA 52 CO 0.19 0.30 1.76 -1.35 0.00 0.00 0.00 175.76 176.66 1u0r h PRO 53 N 2.09 0.00 0.00 0.00 0.11 -1.95 -0.70 132.00 131.54 1u0r h PRO 53 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1u0r h PRO 53 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1u0r h PRO 53 CO 0.66 0.17 0.00 -0.25 -0.21 0.00 0.00 178.00 178.37 1u0r n ASP 54 N -3.24 0.00 0.00 -2.05 8.00 -1.26 -1.70 116.55 116.29 1u0r n ASP 54 Ca 0.01 0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.60 1u0r n ASP 54 Cb 0.47 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.38 1u0r n ASP 54 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1u0r n ASP 55 N -1.19 4.36 0.15 -2.24 4.64 -0.82 -4.48 116.55 116.97 1u0r n ASP 55 Ca 0.03 0.00 0.13 0.00 -1.38 0.00 0.00 54.79 53.57 1u0r n ASP 55 Cb 0.03 0.42 0.39 0.00 -1.04 0.00 0.00 41.12 40.92 1u0r n ASP 55 CO 0.00 0.00 0.00 0.24 -0.82 0.00 0.00 177.20 176.62 1u0r h MET 56 N 0.00 0.00 0.00 -0.67 2.86 -0.82 -2.21 114.93 114.09 1u0r h MET 56 Ca 0.00 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.38 1u0r h MET 56 Cb 0.88 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.49 1u0r h MET 56 CO 0.00 0.00 -1.99 -2.13 1.06 0.00 0.00 176.91 173.85 1u0r n ARG 57 N -2.53 1.56 0.20 1.72 0.63 -0.69 -2.30 116.66 115.24 1u0r n ARG 57 Ca 0.04 0.00 0.14 0.00 -0.92 0.00 0.00 57.85 57.11 1u0r n ARG 57 Cb 0.41 -1.37 0.72 0.00 0.45 0.00 0.00 32.46 32.67 1u0r n ARG 57 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1u0r h ALA 58 N 0.66 1.00 0.00 5.13 0.00 -1.72 0.75 119.26 125.07 1u0r h ALA 58 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1u0r h ALA 58 Cb 1.87 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1u0r h ALA 58 CO 0.02 0.00 -0.85 -0.12 0.00 0.00 0.00 179.25 178.30 1u0r n MET 59 N -2.47 0.21 -2.40 0.00 0.00 -0.83 -4.97 117.12 106.66 1u0r n MET 59 Ca -0.01 0.01 -0.07 0.00 -0.00 0.00 0.00 57.70 57.63 1u0r n MET 59 Cb 0.08 -1.59 0.01 0.00 0.00 0.00 0.00 33.22 31.72 1u0r n MET 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1u0r n GLY 60 N 1.40 0.26 2.76 -5.12 0.00 0.26 -4.84 105.19 99.90 1u0r n GLY 60 Ca 0.03 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.22 1u0r n GLY 60 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1u0r s VAL 61 N -2.62 1.54 0.00 1.61 -7.23 -0.97 -4.36 120.40 108.36 1u0r s VAL 61 Ca 0.07 -2.51 0.00 0.00 -1.81 0.00 0.00 61.98 57.73 1u0r s VAL 61 Cb -0.03 -2.09 0.00 0.00 0.56 0.00 0.00 36.38 34.82 1u0r s VAL 61 CO 0.09 -0.84 0.01 1.21 -0.31 0.00 0.00 175.10 175.25 1u0r n GLU 62 N 3.67 0.00 -4.25 4.82 2.13 -1.26 -4.49 120.64 121.26 1u0r n GLU 62 Ca 0.07 0.00 -0.23 0.00 0.66 0.00 0.00 57.16 57.65 1u0r n GLU 62 Cb 0.35 -0.95 -0.07 0.00 0.27 0.00 0.00 31.44 31.04 1u0r n GLU 62 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1u0r s ILE 63 N 0.91 3.12 -0.07 6.31 1.09 -1.26 -4.78 121.20 126.53 1u0r s ILE 63 Ca 0.00 -1.87 -0.05 0.00 -1.10 0.00 0.00 60.65 57.63 1u0r s ILE 63 Cb 0.00 -2.86 0.02 0.00 -1.06 0.00 0.00 42.46 38.56 1u0r s ILE 63 CO 0.00 -0.28 0.10 -0.62 -0.10 0.00 0.00 174.94 174.04 1u0r n GLU 64 N -0.98 -2.84 -2.67 2.79 1.02 -0.60 -4.87 120.64 112.50 1u0r n GLU 64 Ca -0.05 2.31 -0.29 0.00 -0.02 0.00 0.00 57.16 59.11 1u0r n GLU 64 Cb 0.60 -3.25 -0.01 0.00 -0.02 0.00 0.00 31.44 28.76 1u0r n GLU 64 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1u0r n VAL 65 N 1.03 3.08 -0.23 2.62 0.31 -0.99 -4.91 118.33 119.23 1u0r n VAL 65 Ca -0.16 -5.28 0.30 0.00 -0.01 0.00 0.00 64.34 59.18 1u0r n VAL 65 Cb 0.25 -1.35 0.51 0.00 -0.91 0.00 0.00 33.84 32.35 1u0r n VAL 65 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1u0r h VAL 66 N 2.70 0.04 -0.16 2.52 2.07 -1.85 -3.05 116.25 118.53 1u0r h VAL 66 Ca 0.26 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.84 1u0r h VAL 66 Cb 0.62 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 1u0r h VAL 66 CO 0.90 0.00 0.07 0.47 0.02 0.00 0.00 177.57 179.03 1u0r n ASP 67 N -3.37 0.04 -4.67 0.57 10.43 -1.26 -4.43 116.55 113.86 1u0r n ASP 67 Ca 0.24 0.27 -0.42 0.00 2.57 0.00 0.00 54.79 57.44 1u0r n ASP 67 Cb 1.49 -0.12 -0.03 0.00 1.84 0.00 0.00 41.12 44.30 1u0r n ASP 67 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1u0r s ALA 68 N -4.38 3.63 0.28 2.24 0.00 -1.15 -4.95 121.76 117.41 1u0r s ALA 68 Ca -0.02 0.93 -0.12 0.00 0.00 0.00 0.00 51.96 52.75 1u0r s ALA 68 Cb 0.05 -3.70 -0.08 0.00 0.00 0.00 0.00 23.12 19.39 1u0r s ALA 68 CO 0.13 -1.23 0.65 0.34 0.00 0.00 0.00 175.76 175.64 1u0r s ASP 69 N 2.79 6.70 0.64 0.00 -1.08 -1.26 -2.14 116.67 122.32 1u0r s ASP 69 Ca 0.70 1.11 -0.17 0.00 -0.52 0.00 0.00 52.55 53.66 1u0r s ASP 69 Cb -0.33 -2.30 -0.03 0.00 -1.46 0.00 0.00 42.92 38.79 1u0r s ASP 69 CO 0.28 -0.14 0.93 0.00 0.52 0.00 0.00 175.17 176.76 1u0r n GLN 70 N -0.25 0.74 0.00 4.34 6.02 -1.26 -4.55 117.38 122.42 1u0r n GLN 70 Ca 0.02 0.30 0.00 0.00 -0.01 0.00 0.00 57.00 57.31 1u0r n GLN 70 Cb 0.53 -2.15 0.00 0.00 1.02 0.00 0.00 30.24 29.63 1u0r n GLN 70 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1u0r n HIS 71 N -1.99 0.00 -0.03 1.08 8.25 -1.26 -4.66 115.22 116.61 1u0r n HIS 71 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 1u0r n HIS 71 Cb 0.48 0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.60 1u0r n HIS 71 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1u0r n ALA 72 N 8.62 0.58 -3.32 -1.41 0.00 -1.26 -4.57 120.51 119.15 1u0r n ALA 72 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1u0r n ALA 72 Cb 0.00 -1.32 -0.07 0.00 0.00 0.00 0.00 19.45 18.06 1u0r n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u0r s ALA 73 N 1.95 -1.26 0.00 0.00 0.00 -1.26 -5.06 121.76 116.13 1u0r s ALA 73 Ca 0.00 0.94 0.00 0.00 0.00 0.00 0.00 51.96 52.90 1u0r s ALA 73 Cb 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 23.12 21.33 1u0r s ALA 73 CO 0.00 -1.34 0.00 -0.40 0.00 0.00 0.00 175.76 174.02 1u0r n ASP 74 N 5.37 0.00 -2.80 0.00 5.75 -1.26 -4.88 116.55 118.74 1u0r n ASP 74 Ca -0.03 0.00 -0.22 0.00 -0.01 0.00 0.00 54.79 54.53 1u0r n ASP 74 Cb 0.50 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.58 1u0r n ASP 74 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1u0r n GLY 75 N -1.51 4.61 0.00 6.12 0.00 -1.26 -4.58 105.19 108.58 1u0r n GLY 75 Ca 0.00 -2.30 0.00 0.00 0.00 0.00 0.00 46.02 43.72 1u0r n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u0r n GLU 77 N -0.50 0.81 -3.58 0.00 2.13 -0.65 -4.97 120.64 113.87 1u0r n GLU 77 Ca 0.00 0.07 -0.10 0.00 0.66 0.00 0.00 57.16 57.79 1u0r n GLU 77 Cb 0.00 -1.38 -0.03 0.00 0.27 0.00 0.00 31.44 30.30 1u0r n GLU 77 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1u0r s LEU 78 N -5.81 -0.32 -0.05 4.31 2.96 -1.25 -4.39 118.68 114.14 1u0r s LEU 78 Ca -0.20 -0.23 0.05 0.00 -0.22 0.00 0.00 54.13 53.53 1u0r s LEU 78 Cb 0.06 2.48 -0.01 0.00 0.50 0.00 0.00 46.19 49.23 1u0r s LEU 78 CO 0.49 -1.05 -0.21 -0.69 -1.32 0.00 0.00 176.35 173.57 1u0r s VAL 79 N -3.81 1.71 -0.33 1.68 1.01 -0.24 -2.42 120.40 118.00 1u0r s VAL 79 Ca 0.05 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.16 1u0r s VAL 79 Cb -0.02 -1.46 0.10 0.00 0.00 0.00 0.00 36.38 35.01 1u0r s VAL 79 CO -0.07 0.48 0.08 -0.22 0.00 0.00 0.00 175.10 175.37 1u0r s LEU 80 N -0.08 3.53 -0.13 3.92 2.96 0.14 -1.30 118.68 127.72 1u0r s LEU 80 Ca -0.03 -1.91 -0.25 0.00 -0.22 0.00 0.00 54.13 51.72 1u0r s LEU 80 Cb -0.12 -1.25 -0.02 0.00 0.50 0.00 0.00 46.19 45.29 1u0r s LEU 80 CO 0.03 -0.40 0.78 -0.69 -1.32 0.00 0.00 176.35 174.75 1u0r s VAL 81 N 1.24 4.95 -0.08 1.68 1.01 -0.01 -2.69 120.40 126.50 1u0r s VAL 81 Ca 0.10 1.56 0.03 0.00 0.00 0.00 0.00 61.98 63.67 1u0r s VAL 81 Cb -0.18 -4.10 -0.02 0.00 0.00 0.00 0.00 36.38 32.08 1u0r s VAL 81 CO -0.16 0.11 -0.16 -1.48 0.00 0.00 0.00 175.10 173.41 1u0r s LEU 82 N 1.63 2.63 0.00 3.92 2.34 -0.82 -0.23 118.68 128.15 1u0r s LEU 82 Ca 0.38 -0.29 0.00 0.00 0.06 0.00 0.00 54.13 54.28 1u0r s LEU 82 Cb -0.17 -1.54 0.00 0.00 -0.56 0.00 0.00 46.19 43.91 1u0r s LEU 82 CO 0.15 0.27 0.00 0.61 -1.06 0.00 0.00 176.35 176.32 1u0r n GLY 83 N 2.79 0.68 0.00 -3.48 0.00 -1.10 -2.69 105.19 101.40 1u0r n GLY 83 Ca -0.17 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.27 1u0r n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u0r n GLY 84 N 0.00 6.87 0.30 -0.02 0.00 -1.26 -2.87 105.19 108.21 1u0r n GLY 84 Ca 0.00 -2.03 -0.07 0.00 0.00 0.00 0.00 46.02 43.92 1u0r n GLY 84 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1u0r h ASP 85 N 0.00 0.98 -0.60 1.61 5.19 -1.96 0.20 116.42 121.84 1u0r h ASP 85 Ca 0.00 -0.20 0.12 0.00 -0.62 0.00 0.00 57.03 56.33 1u0r h ASP 85 Cb 0.00 -0.26 -0.11 0.00 0.18 0.00 0.00 39.33 39.14 1u0r h ASP 85 CO 0.00 0.92 -0.09 1.23 -3.12 0.00 0.00 179.24 178.19 1u0r h GLY 86 N 0.99 0.52 0.64 2.75 0.00 -1.99 -1.85 103.07 104.13 1u0r h GLY 86 Ca 0.22 0.15 -0.11 0.00 0.00 0.00 0.00 47.33 47.59 1u0r h GLY 86 CO -0.01 -0.22 -0.43 -0.84 0.00 0.00 0.00 176.54 175.04 1u0r h THR 87 N 0.05 1.47 -1.13 4.70 2.02 -1.85 -2.52 112.91 115.65 1u0r h THR 87 Ca 0.30 -1.99 0.32 0.00 0.77 0.00 0.00 66.41 65.81 1u0r h THR 87 Cb 0.47 2.63 -0.09 0.00 -1.74 0.00 0.00 68.15 69.42 1u0r h THR 87 CO -0.58 0.56 0.74 0.15 0.37 0.00 0.00 175.52 176.77 1u0r h PHE 88 N -0.26 0.53 -0.04 3.16 3.57 -0.75 0.71 116.94 123.85 1u0r h PHE 88 Ca -0.05 0.02 -0.20 0.00 3.53 0.00 0.00 57.97 61.27 1u0r h PHE 88 Cb 1.15 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.74 1u0r h PHE 88 CO 0.16 -0.01 -0.81 -0.07 -2.23 0.00 0.00 178.31 175.35 1u0r h LEU 89 N 0.26 0.45 0.78 0.59 3.38 -1.01 -0.07 115.31 119.69 1u0r h LEU 89 Ca 0.64 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 58.25 1u0r h LEU 89 Cb 1.87 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 42.49 1u0r h LEU 89 CO -0.28 1.09 -0.38 -0.09 0.09 0.00 0.00 178.44 178.87 1u0r h ARG 90 N 0.23 -1.02 -0.51 1.13 2.43 0.60 -2.50 114.38 114.75 1u0r h ARG 90 Ca -0.05 0.07 0.10 0.00 -0.81 0.00 0.00 59.98 59.30 1u0r h ARG 90 Cb 1.40 0.23 -0.10 0.00 -0.42 0.00 0.00 29.97 31.09 1u0r h ARG 90 CO 0.14 -0.66 -0.13 0.00 -1.51 0.00 0.00 179.97 177.80 1u0r h ALA 91 N -0.98 0.33 -0.54 2.80 0.00 -0.27 -0.63 119.26 119.97 1u0r h ALA 91 Ca -0.11 0.20 0.10 0.00 0.00 0.00 0.00 54.91 55.10 1u0r h ALA 91 Cb 0.82 0.39 -0.08 0.00 0.00 0.00 0.00 17.79 18.92 1u0r h ALA 91 CO 0.18 -0.44 0.05 0.00 0.00 0.00 0.00 179.25 179.03 1u0r h ALA 92 N 1.50 0.56 -0.19 0.00 0.00 -0.98 -1.72 119.26 118.43 1u0r h ALA 92 Ca 0.24 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1u0r h ALA 92 Cb 0.38 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1u0r h ALA 92 CO -0.53 -0.36 0.00 -1.91 0.00 0.00 0.00 179.25 176.46 1u0r n GLU 93 N -5.20 0.00 0.00 0.00 2.13 -0.25 -2.25 120.64 115.07 1u0r n GLU 93 Ca 0.07 0.03 0.00 0.00 0.66 0.00 0.00 57.16 57.92 1u0r n GLU 93 Cb 0.29 -0.06 0.00 0.00 0.27 0.00 0.00 31.44 31.94 1u0r n GLU 93 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1u0r n LEU 94 N -0.56 0.00 0.00 4.31 4.77 -0.70 -2.77 117.00 122.05 1u0r n LEU 94 Ca 0.00 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 1u0r n LEU 94 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1u0r n LEU 94 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.06 1u0r n ALA 95 N -0.92 0.00 0.05 -1.18 0.00 -0.89 0.47 120.51 118.05 1u0r n ALA 95 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1u0r n ALA 95 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 1u0r n ALA 95 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1u0r h ARG 96 N 0.00 0.00 0.55 0.00 0.11 -1.27 1.54 114.38 115.31 1u0r h ARG 96 Ca 0.00 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.05 1u0r h ARG 96 Cb 0.00 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.09 1u0r h ARG 96 CO 0.00 0.88 -0.26 -0.91 0.10 0.00 0.00 179.97 179.77 1u0r h ASN 97 N 0.00 -0.62 0.31 0.08 2.35 -0.14 -3.09 115.58 114.46 1u0r h ASN 97 Ca -0.06 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1u0r h ASN 97 Cb 1.79 0.16 0.00 0.00 0.05 0.00 0.00 38.32 40.32 1u0r h ASN 97 CO 0.12 -0.43 0.00 0.00 -1.65 0.00 0.00 177.43 175.46 1u0r n ALA 98 N -2.38 1.34 -3.68 -0.83 0.00 -1.19 -4.95 120.51 108.82 1u0r n ALA 98 Ca -0.09 0.06 -0.31 0.00 0.00 0.00 0.00 53.44 53.11 1u0r n ALA 98 Cb 0.29 -1.24 0.04 0.00 0.00 0.00 0.00 19.45 18.54 1u0r n ALA 98 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1u0r n SER 99 N -1.89 -5.38 -3.96 0.00 3.41 0.52 -4.96 113.62 101.35 1u0r n SER 99 Ca 0.01 -0.99 -0.09 0.00 -0.26 0.00 0.00 58.87 57.54 1u0r n SER 99 Cb 0.11 -3.30 -0.10 0.00 -0.26 0.00 0.00 64.21 60.67 1u0r n SER 99 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1u0r s ILE 100 N -3.42 0.15 0.65 -1.33 -4.36 -0.91 -4.98 121.20 107.00 1u0r s ILE 100 Ca 0.44 -1.22 -0.17 0.00 -0.26 0.00 0.00 60.65 59.44 1u0r s ILE 100 Cb -0.16 -0.96 -0.04 0.00 1.25 0.00 0.00 42.46 42.55 1u0r s ILE 100 CO 0.86 -0.67 0.88 -2.65 0.24 0.00 0.00 174.94 173.60 1u0r n PRO 101 N 0.69 0.68 -4.53 0.37 -0.02 -1.26 -4.57 135.00 126.36 1u0r n PRO 101 Ca -0.18 0.28 -0.23 0.00 -2.02 0.00 0.00 63.50 61.35 1u0r n PRO 101 Cb 0.59 -2.10 -0.16 0.00 -0.02 0.00 0.00 33.50 31.81 1u0r n PRO 101 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1u0r s VAL 102 N -1.65 1.00 -0.06 -1.45 1.01 -0.89 -1.08 120.40 117.28 1u0r s VAL 102 Ca 0.74 -0.47 -0.01 0.00 0.00 0.00 0.00 61.98 62.24 1u0r s VAL 102 Cb -0.39 -0.89 0.03 0.00 0.00 0.00 0.00 36.38 35.13 1u0r s VAL 102 CO 0.49 0.31 0.00 -0.22 0.00 0.00 0.00 175.10 175.68 1u0r s LEU 103 N 0.25 0.68 -0.10 3.92 2.96 -0.42 -0.78 118.68 125.19 1u0r s LEU 103 Ca -0.05 -0.06 0.03 0.00 -0.22 0.00 0.00 54.13 53.82 1u0r s LEU 103 Cb -0.11 -0.38 -0.01 0.00 0.50 0.00 0.00 46.19 46.19 1u0r s LEU 103 CO 0.01 -0.17 -0.20 -0.83 -1.32 0.00 0.00 176.35 173.84 1u0r s GLY 104 N 1.77 1.40 0.00 7.98 0.00 -1.26 -0.83 107.32 116.38 1u0r s GLY 104 Ca 0.02 -0.96 0.04 0.00 0.00 0.00 0.00 44.72 43.82 1u0r s GLY 104 CO -0.04 -0.36 -0.11 0.14 0.00 0.00 0.00 173.10 172.73 1u0r s VAL 105 N 0.22 3.29 -0.32 1.40 1.01 0.68 -0.74 120.40 125.94 1u0r s VAL 105 Ca -0.13 -0.87 -0.10 0.00 0.00 0.00 0.00 61.98 60.88 1u0r s VAL 105 Cb -0.16 -2.39 -0.00 0.00 0.00 0.00 0.00 36.38 33.82 1u0r s VAL 105 CO 0.07 0.42 0.17 0.21 0.00 0.00 0.00 175.10 175.97 1u0r s ASN 106 N -1.27 5.61 -0.03 3.32 3.84 0.19 -2.71 114.94 123.89 1u0r s ASN 106 Ca 0.15 -0.59 -0.13 0.00 0.21 0.00 0.00 52.86 52.50 1u0r s ASN 106 Cb -0.11 -2.01 -0.07 0.00 -0.55 0.00 0.00 41.25 38.50 1u0r s ASN 106 CO 0.05 -0.23 0.59 -0.07 -2.79 0.00 0.00 177.10 174.66 1u0r h LEU 107 N 8.37 -0.40 0.00 3.21 3.38 -1.85 -2.44 115.31 125.58 1u0r h LEU 107 Ca -0.31 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1u0r h LEU 107 Cb 1.14 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1u0r h LEU 107 CO 0.62 -0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.74 1u0r n GLY 108 N 0.46 0.40 3.75 0.83 0.00 -1.26 -4.83 105.19 104.54 1u0r n GLY 108 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 1u0r n GLY 108 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u0r s ARG 109 N 1.54 2.57 -0.10 1.61 1.81 -1.26 -4.96 118.95 120.17 1u0r s ARG 109 Ca 0.00 1.61 -0.30 0.00 -1.72 0.00 0.00 55.73 55.32 1u0r s ARG 109 Cb 0.00 -1.90 -0.04 0.00 -0.45 0.00 0.00 34.95 32.56 1u0r s ARG 109 CO 0.00 -1.47 1.48 0.42 -0.68 0.00 0.00 175.30 175.05 1u0r s ILE 110 N -2.07 3.87 0.35 1.52 1.01 -1.26 -4.95 121.20 119.67 1u0r s ILE 110 Ca 0.72 1.06 0.07 0.00 0.00 0.00 0.00 60.65 62.50 1u0r s ILE 110 Cb -0.25 -3.69 -0.02 0.00 0.01 0.00 0.00 42.46 38.51 1u0r s ILE 110 CO 0.41 -0.09 0.33 -0.83 0.00 0.00 0.00 174.94 174.76 1u0r s GLY 111 N 2.72 1.85 0.22 6.18 0.00 -1.26 -5.01 107.32 112.02 1u0r s GLY 111 Ca 0.65 -1.69 0.19 0.00 0.00 0.00 0.00 44.72 43.87 1u0r s GLY 111 CO 0.23 -1.59 1.19 0.74 0.00 0.00 0.00 173.10 173.67 1u0r h PHE 112 N 1.16 0.00 -0.00 1.90 0.04 -1.96 -3.38 116.94 114.70 1u0r h PHE 112 Ca -0.44 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.33 1u0r h PHE 112 Cb 1.26 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.41 1u0r h PHE 112 CO 0.52 0.30 -0.69 1.28 -0.60 0.00 0.00 178.31 179.11 1u0r n LEU 113 N -2.96 1.04 -4.75 1.54 4.77 -1.26 -4.96 117.00 110.43 1u0r n LEU 113 Ca -0.02 -0.57 -0.40 0.00 -0.03 0.00 0.00 56.01 54.99 1u0r n LEU 113 Cb 0.68 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.71 1u0r n LEU 113 CO 0.40 0.23 0.62 0.00 -1.33 0.00 0.00 177.39 177.31 1u0r s ALA 114 N -2.46 3.33 -0.54 -1.18 0.00 -1.26 -4.66 121.76 114.99 1u0r s ALA 114 Ca 0.09 0.55 0.24 0.00 0.00 0.00 0.00 51.96 52.84 1u0r s ALA 114 Cb 0.13 -3.18 0.41 0.00 0.00 0.00 0.00 23.12 20.48 1u0r s ALA 114 CO 0.63 0.15 1.48 0.93 0.00 0.00 0.00 175.76 178.96 1u0r h GLU 115 N 4.66 0.00 -2.65 0.00 4.39 -1.29 -3.49 114.58 116.20 1u0r h GLU 115 Ca -0.45 0.00 0.12 0.00 0.34 0.00 0.00 59.36 59.37 1u0r h GLU 115 Cb 1.20 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.80 1u0r h GLU 115 CO 0.69 0.00 0.39 0.00 -1.16 0.00 0.00 179.01 178.93 1u0r s ALA 116 N -3.20 -1.40 0.18 3.43 0.00 -1.18 -4.74 121.76 114.86 1u0r s ALA 116 Ca 0.07 -0.18 0.06 0.00 0.00 0.00 0.00 51.96 51.90 1u0r s ALA 116 Cb 0.10 0.72 -0.04 0.00 0.00 0.00 0.00 23.12 23.90 1u0r s ALA 116 CO 0.68 -1.04 0.12 -1.21 0.00 0.00 0.00 175.76 174.32 1u0r s GLU 117 N -3.22 2.82 0.48 0.00 2.02 -1.26 0.56 118.70 120.10 1u0r s GLU 117 Ca 0.13 -0.94 0.28 0.00 0.02 0.00 0.00 54.97 54.46 1u0r s GLU 117 Cb -0.03 -2.58 1.34 0.00 0.10 0.00 0.00 34.13 32.95 1u0r s GLU 117 CO 0.05 0.47 1.81 0.00 0.02 0.00 0.00 175.26 177.60 1u0r h ALA 118 N 2.32 2.68 0.00 5.21 0.00 -1.76 -1.15 119.26 126.56 1u0r h ALA 118 Ca -0.48 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1u0r h ALA 118 Cb 1.21 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1u0r h ALA 118 CO 0.62 -1.03 0.00 0.39 0.00 0.00 0.00 179.25 179.23 1u0r n GLU 119 N -4.39 0.05 0.00 0.00 4.71 -1.26 -1.48 120.64 118.26 1u0r n GLU 119 Ca 0.24 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.39 1u0r n GLU 119 Cb 1.03 -1.01 0.00 0.00 -1.01 0.00 0.00 31.44 30.45 1u0r n GLU 119 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1u0r n ALA 120 N -0.01 0.12 0.11 0.62 0.00 -0.43 -4.84 120.51 116.08 1u0r n ALA 120 Ca 0.00 -0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1u0r n ALA 120 Cb 0.01 0.00 0.23 0.00 0.00 0.00 0.00 19.45 19.68 1u0r n ALA 120 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1u0r n ILE 121 N -0.05 0.72 0.10 0.00 0.13 -0.55 0.77 119.36 120.48 1u0r n ILE 121 Ca 0.00 0.67 -0.10 0.00 -1.10 0.00 0.00 62.75 62.22 1u0r n ILE 121 Cb 0.03 -1.67 -0.06 0.00 -0.84 0.00 0.00 39.64 37.09 1u0r n ILE 121 CO 0.00 0.00 0.00 0.44 2.80 0.00 0.00 176.55 179.79 1u0r h ASP 122 N 0.00 -0.28 -0.22 9.51 5.19 -1.88 0.15 116.42 128.90 1u0r h ASP 122 Ca 0.00 -0.23 -0.04 0.00 -0.62 0.00 0.00 57.03 56.15 1u0r h ASP 122 Cb 0.61 0.07 -0.01 0.00 0.18 0.00 0.00 39.33 40.18 1u0r h ASP 122 CO 0.00 0.22 -0.01 0.00 -3.12 0.00 0.00 179.24 176.33 1u0r h ALA 123 N -0.56 0.29 -0.34 3.45 0.00 -0.03 -2.39 119.26 119.69 1u0r h ALA 123 Ca -0.03 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 54.72 1u0r h ALA 123 Cb 0.49 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.11 1u0r h ALA 123 CO 0.06 0.03 -0.39 0.28 0.00 0.00 0.00 179.25 179.23 1u0r h VAL 124 N 0.14 0.16 0.00 0.00 2.07 -1.12 0.39 116.25 117.90 1u0r h VAL 124 Ca 0.06 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.58 1u0r h VAL 124 Cb 0.43 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1u0r h VAL 124 CO 0.01 0.00 -0.02 -0.07 0.02 0.00 0.00 177.57 177.52 1u0r h LEU 125 N -0.34 0.00 -0.34 2.57 3.38 -0.90 0.11 115.31 119.78 1u0r h LEU 125 Ca 0.13 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.92 1u0r h LEU 125 Cb 0.58 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 1u0r h LEU 125 CO -0.52 0.02 -0.83 -0.08 0.09 0.00 0.00 178.44 177.12 1u0r h GLU 126 N 0.00 0.05 0.00 1.13 4.81 0.27 -2.32 114.58 118.52 1u0r h GLU 126 Ca -0.00 -0.06 -0.20 0.00 -0.13 0.00 0.00 59.36 58.97 1u0r h GLU 126 Cb 0.08 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 1u0r h GLU 126 CO 0.00 0.85 -1.03 0.45 -0.73 0.00 0.00 179.01 178.56 1u0r h HIS 127 N 0.03 0.00 -0.22 0.92 3.86 0.31 -2.95 115.15 117.10 1u0r h HIS 127 Ca -0.02 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.16 1u0r h HIS 127 Cb 1.46 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.92 1u0r h HIS 127 CO 0.01 0.86 0.03 0.28 0.86 0.00 0.00 177.93 179.97 1u0r h VAL 128 N 0.00 1.23 -0.51 2.45 2.07 -0.76 -1.24 116.25 119.49 1u0r h VAL 128 Ca -0.06 -0.76 0.05 0.00 0.82 0.00 0.00 66.70 66.74 1u0r h VAL 128 Cb 1.71 1.30 -0.05 0.00 -1.52 0.00 0.00 31.29 32.74 1u0r h VAL 128 CO 0.10 0.24 0.25 0.58 0.02 0.00 0.00 177.57 178.76 1u0r h VAL 129 N 0.17 0.94 0.00 2.57 2.07 -1.46 -2.25 116.25 118.29 1u0r h VAL 129 Ca 0.07 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1u0r h VAL 129 Cb 0.33 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1u0r h VAL 129 CO 0.00 0.09 0.00 0.00 0.02 0.00 0.00 177.57 177.68 1u0r h ALA 130 N 1.28 1.00 -1.52 1.67 0.00 -1.44 -3.46 119.26 116.79 1u0r h ALA 130 Ca 0.22 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.89 1u0r h ALA 130 Cb 0.15 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1u0r h ALA 130 CO -0.17 0.00 -0.29 0.94 0.00 0.00 0.00 179.25 179.73 1u0r n GLN 131 N -2.53 -0.94 -0.56 0.00 7.27 -0.50 -4.89 117.38 115.24 1u0r n GLN 131 Ca 0.04 0.64 0.09 0.00 0.07 0.00 0.00 57.00 57.84 1u0r n GLN 131 Cb 0.42 -4.78 0.32 0.00 2.41 0.00 0.00 30.24 28.61 1u0r n GLN 131 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73 1u0r n ASP 132 N -0.23 4.49 -4.16 1.69 5.75 -1.03 -4.92 116.55 118.14 1u0r n ASP 132 Ca -0.14 -2.50 -0.29 0.00 -0.01 0.00 0.00 54.79 51.85 1u0r n ASP 132 Cb 0.57 -0.54 0.22 0.00 -1.03 0.00 0.00 41.12 40.35 1u0r n ASP 132 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 1u0r s TYR 133 N -1.93 1.08 -0.04 2.11 -0.85 -1.26 -5.06 117.35 111.40 1u0r s TYR 133 Ca 0.47 0.72 -0.02 0.00 -0.52 0.00 0.00 57.07 57.71 1u0r s TYR 133 Cb 0.31 -3.33 -0.04 0.00 0.38 0.00 0.00 41.96 39.28 1u0r s TYR 133 CO 0.21 -3.59 0.09 0.50 -1.52 0.00 0.00 175.55 171.23 1u0r s ARG 134 N -5.16 3.16 0.06 -3.49 3.52 0.12 -4.87 118.95 112.29 1u0r s ARG 134 Ca 0.69 -0.38 0.03 0.00 -0.13 0.00 0.00 55.73 55.93 1u0r s ARG 134 Cb -0.14 -2.93 -0.04 0.00 -1.56 0.00 0.00 34.95 30.28 1u0r s ARG 134 CO 0.57 0.69 0.04 0.08 -0.81 0.00 0.00 175.30 175.87 1u0r s VAL 135 N -1.11 4.33 -0.29 7.11 1.01 -1.26 0.89 120.40 131.07 1u0r s VAL 135 Ca 0.20 -0.78 -0.08 0.00 0.00 0.00 0.00 61.98 61.32 1u0r s VAL 135 Cb -0.12 -3.04 0.14 0.00 0.00 0.00 0.00 36.38 33.36 1u0r s VAL 135 CO 0.10 0.18 0.62 -1.83 0.00 0.00 0.00 175.10 174.17 1u0r s GLU 136 N -2.18 0.55 -0.10 2.72 -1.05 -1.02 -4.92 118.70 112.69 1u0r s GLU 136 Ca 0.26 1.32 -0.29 0.00 -0.15 0.00 0.00 54.97 56.11 1u0r s GLU 136 Cb -0.12 0.75 -0.06 0.00 -0.44 0.00 0.00 34.13 34.26 1u0r s GLU 136 CO 0.18 -0.30 1.87 -0.51 0.95 0.00 0.00 175.26 177.46 1u0r s ASP 137 N 2.86 6.25 0.01 0.83 1.11 -1.26 -2.52 116.67 123.97 1u0r s ASP 137 Ca 0.00 2.14 -0.02 0.00 0.18 0.00 0.00 52.55 54.85 1u0r s ASP 137 Cb -0.13 -2.53 -0.04 0.00 1.07 0.00 0.00 42.92 41.30 1u0r s ASP 137 CO -0.19 -1.28 0.20 -0.13 1.18 0.00 0.00 175.17 174.95 1u0r s ARG 138 N 4.85 3.45 0.22 8.23 3.00 -0.77 -5.00 118.95 132.94 1u0r s ARG 138 Ca 0.84 -0.34 -0.30 0.00 0.00 0.00 0.00 55.73 55.93 1u0r s ARG 138 Cb -0.34 -3.07 -0.10 0.00 0.00 0.00 0.00 34.95 31.44 1u0r s ARG 138 CO 0.35 0.65 1.42 -1.17 0.00 0.00 0.00 175.30 176.55 1u0r s LEU 139 N -2.11 4.39 0.11 2.53 1.98 -1.26 -3.13 118.68 121.18 1u0r s LEU 139 Ca 0.30 2.58 0.08 0.00 -2.89 0.00 0.00 54.13 54.20 1u0r s LEU 139 Cb -0.13 -3.61 -0.04 0.00 0.66 0.00 0.00 46.19 43.07 1u0r s LEU 139 CO 0.21 -0.67 -0.20 -0.89 -1.89 0.00 0.00 176.35 172.91 1u0r s THR 140 N 0.20 1.67 0.13 3.68 2.01 -1.26 -4.80 115.64 117.27 1u0r s THR 140 Ca 0.60 -1.56 0.07 0.00 0.31 0.00 0.00 61.69 61.11 1u0r s THR 140 Cb -0.40 -1.54 -0.04 0.00 0.01 0.00 0.00 72.50 70.52 1u0r s THR 140 CO 0.40 -0.10 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.44 1u0r s LEU 141 N -1.96 3.26 -0.08 4.42 1.43 0.10 -0.90 118.68 124.94 1u0r s LEU 141 Ca 0.07 -0.34 0.03 0.00 -1.03 0.00 0.00 54.13 52.86 1u0r s LEU 141 Cb -0.10 -1.98 0.01 0.00 0.03 0.00 0.00 46.19 44.15 1u0r s LEU 141 CO 0.04 0.14 -0.18 -0.62 0.23 0.00 0.00 176.35 175.96 1u0r s ASP 142 N -2.55 2.44 -0.06 2.29 2.15 0.10 -1.39 116.67 119.66 1u0r s ASP 142 Ca 0.25 -0.43 0.06 0.00 0.43 0.00 0.00 52.55 52.86 1u0r s ASP 142 Cb -0.10 -1.11 -0.01 0.00 -0.30 0.00 0.00 42.92 41.40 1u0r s ASP 142 CO 0.17 0.10 -0.25 0.54 -0.17 0.00 0.00 175.17 175.56 1u0r s VAL 143 N 0.48 2.09 0.15 1.11 0.11 -0.19 -1.46 120.40 122.69 1u0r s VAL 143 Ca -0.16 -1.06 0.08 0.00 -2.93 0.00 0.00 61.98 57.91 1u0r s VAL 143 Cb -0.17 -1.75 -0.04 0.00 -1.53 0.00 0.00 36.38 32.89 1u0r s VAL 143 CO 0.06 0.57 -0.18 0.68 -3.33 0.00 0.00 175.10 172.91 1u0r s VAL 144 N -0.20 1.73 -0.14 2.04 -7.23 -0.53 -0.91 120.40 115.17 1u0r s VAL 144 Ca -0.02 -1.87 -0.00 0.00 -1.81 0.00 0.00 61.98 58.28 1u0r s VAL 144 Cb -0.13 -1.78 -0.01 0.00 0.56 0.00 0.00 36.38 35.01 1u0r s VAL 144 CO 0.03 -0.32 -0.13 -0.69 -0.31 0.00 0.00 175.10 173.68 1u0r s VAL 145 N -2.03 2.98 -0.12 1.32 1.01 -0.69 -1.17 120.40 121.71 1u0r s VAL 145 Ca 0.14 -0.68 -0.00 0.00 0.00 0.00 0.00 61.98 61.44 1u0r s VAL 145 Cb -0.06 -2.25 0.03 0.00 0.00 0.00 0.00 36.38 34.10 1u0r s VAL 145 CO 0.06 0.52 -0.07 -0.60 0.00 0.00 0.00 175.10 175.01 1u0r s ARG 146 N 0.45 1.49 -0.03 2.72 3.52 0.03 -0.35 118.95 126.78 1u0r s ARG 146 Ca -0.10 -0.29 0.03 0.00 -0.13 0.00 0.00 55.73 55.24 1u0r s ARG 146 Cb -0.16 -1.65 0.00 0.00 -1.56 0.00 0.00 34.95 31.59 1u0r s ARG 146 CO 0.05 -0.30 -0.11 -1.14 -0.81 0.00 0.00 175.30 173.00 1u0r s GLN 147 N 1.70 1.10 -1.35 5.12 0.74 -0.72 -1.66 119.66 124.59 1u0r s GLN 147 Ca 0.04 -0.36 -0.00 0.00 0.05 0.00 0.00 55.36 55.09 1u0r s GLN 147 Cb -0.13 -1.01 -0.00 0.00 1.10 0.00 0.00 33.01 32.97 1u0r s GLN 147 CO -0.08 0.14 0.57 0.41 -0.55 0.00 0.00 175.29 175.78 1u0r n GLY 148 N 3.24 -0.26 3.66 2.59 0.00 -1.26 -2.80 105.19 110.37 1u0r n GLY 148 Ca -0.18 0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1u0r n GLY 148 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u0r n GLY 149 N -1.76 2.99 3.27 -0.02 0.00 -1.26 -5.02 105.19 103.38 1u0r n GLY 149 Ca -0.31 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.50 1u0r n GLY 149 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1u0r s ARG 150 N -0.07 1.09 0.10 1.61 3.03 -1.12 -5.07 118.95 118.51 1u0r s ARG 150 Ca 0.00 -1.18 -0.35 0.00 2.03 0.00 0.00 55.73 56.23 1u0r s ARG 150 Cb 0.00 -1.22 -0.15 0.00 -1.03 0.00 0.00 34.95 32.55 1u0r s ARG 150 CO 0.00 0.27 1.53 -0.89 -1.13 0.00 0.00 175.30 175.08 1u0r n ILE 151 N 0.90 0.05 -0.27 4.99 5.41 -1.26 -1.76 119.36 127.42 1u0r n ILE 151 Ca -0.18 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.56 1u0r n ILE 151 Cb 0.55 -1.31 0.00 0.00 -0.71 0.00 0.00 39.64 38.17 1u0r n ILE 151 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 1u0r n VAL 152 N 3.28 0.53 -3.61 1.39 0.24 0.52 -4.87 118.33 115.82 1u0r n VAL 152 Ca 0.18 -0.63 -0.02 0.00 -2.04 0.00 0.00 64.34 61.83 1u0r n VAL 152 Cb 0.25 0.81 -0.02 0.00 -1.47 0.00 0.00 33.84 33.42 1u0r n VAL 152 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1u0r s ASN 153 N -0.53 -0.08 0.01 -1.34 3.84 -1.22 -4.99 114.94 110.63 1u0r s ASN 153 Ca 0.00 -0.03 -0.24 0.00 0.21 0.00 0.00 52.86 52.80 1u0r s ASN 153 Cb 0.00 0.10 0.05 0.00 -0.55 0.00 0.00 41.25 40.86 1u0r s ASN 153 CO 0.00 -0.17 0.55 0.00 -2.79 0.00 0.00 177.10 174.69 1u0r s ARG 154 N -2.29 1.00 0.36 0.43 1.70 -1.26 -1.70 118.95 117.19 1u0r s ARG 154 Ca 0.11 -0.07 -0.09 0.00 -0.47 0.00 0.00 55.73 55.21 1u0r s ARG 154 Cb 0.01 0.46 0.04 0.00 -0.57 0.00 0.00 34.95 34.89 1u0r s ARG 154 CO -0.04 -0.34 0.63 0.41 -1.08 0.00 0.00 175.30 174.88 1u0r n GLY 155 N 0.67 1.47 3.36 3.88 0.00 -0.09 -5.00 105.19 109.49 1u0r n GLY 155 Ca -0.19 -1.38 -0.13 0.00 0.00 0.00 0.00 46.02 44.32 1u0r n GLY 155 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1u0r s TRP 156 N -2.78 -0.35 0.01 1.61 1.48 -1.26 -1.03 118.94 116.62 1u0r s TRP 156 Ca 0.20 0.30 -0.13 0.00 -1.06 0.00 0.00 56.10 55.41 1u0r s TRP 156 Cb -0.03 0.31 0.02 0.00 -1.16 0.00 0.00 33.47 32.60 1u0r s TRP 156 CO 0.14 -0.65 0.27 0.00 -4.06 0.00 0.00 176.95 172.66 1u0r s ALA 157 N -2.76 -0.64 -0.14 2.67 0.00 -0.49 -4.82 121.76 115.58 1u0r s ALA 157 Ca -0.04 0.09 0.10 0.00 0.00 0.00 0.00 51.96 52.11 1u0r s ALA 157 Cb -0.00 0.19 -0.16 0.00 0.00 0.00 0.00 23.12 23.15 1u0r s ALA 157 CO -0.04 -0.32 0.01 -0.11 0.00 0.00 0.00 175.76 175.29 1u0r n LEU 158 N 0.98 0.62 0.00 0.00 7.94 -1.26 0.03 117.00 125.32 1u0r n LEU 158 Ca -0.20 -0.02 0.00 0.00 -1.11 0.00 0.00 56.01 54.68 1u0r n LEU 158 Cb 0.57 0.14 0.00 0.00 0.53 0.00 0.00 43.42 44.66 1u0r n LEU 158 CO 0.22 0.43 0.00 0.59 -1.11 0.00 0.00 177.39 177.52 1u0r n ASN 159 N -2.61 0.00 -4.18 1.96 4.13 -1.26 -4.47 115.26 108.84 1u0r n ASN 159 Ca -0.24 0.00 -0.16 0.00 1.68 0.00 0.00 54.58 55.86 1u0r n ASN 159 Cb 0.92 -0.05 -0.11 0.00 -1.54 0.00 0.00 39.78 39.00 1u0r n ASN 159 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1u0r s GLU 160 N -0.14 0.85 -0.26 3.52 8.01 -1.26 -1.51 118.70 127.90 1u0r s GLU 160 Ca 0.00 -1.10 -0.04 0.00 0.01 0.00 0.00 54.97 53.84 1u0r s GLU 160 Cb 0.00 -0.64 0.01 0.00 -4.31 0.00 0.00 34.13 29.19 1u0r s GLU 160 CO 0.00 0.12 -0.00 0.08 0.01 0.00 0.00 175.26 175.46 1u0r s VAL 161 N -2.07 3.45 -0.41 2.63 1.01 0.42 -2.19 120.40 123.23 1u0r s VAL 161 Ca 0.03 -0.71 -0.06 0.00 0.00 0.00 0.00 61.98 61.24 1u0r s VAL 161 Cb -0.05 -2.70 0.09 0.00 0.00 0.00 0.00 36.38 33.72 1u0r s VAL 161 CO 0.01 0.23 0.23 -0.55 0.00 0.00 0.00 175.10 175.02 1u0r s SER 162 N 1.44 5.43 -0.20 3.32 0.15 -0.62 -0.81 113.70 122.42 1u0r s SER 162 Ca 0.03 -1.74 -0.25 0.00 0.70 0.00 0.00 55.95 54.69 1u0r s SER 162 Cb -0.16 -1.91 -0.01 0.00 -1.71 0.00 0.00 66.02 62.23 1u0r s SER 162 CO -0.01 -0.54 0.82 -0.22 1.20 0.00 0.00 173.24 174.48 1u0r s LEU 163 N 1.29 4.14 0.03 3.45 2.96 -0.41 -1.52 118.68 128.63 1u0r s LEU 163 Ca 0.04 1.10 0.06 0.00 -0.22 0.00 0.00 54.13 55.12 1u0r s LEU 163 Cb -0.23 -3.20 -0.02 0.00 0.50 0.00 0.00 46.19 43.24 1u0r s LEU 163 CO -0.01 -0.44 -0.19 -1.61 -1.32 0.00 0.00 176.35 172.79 1u0r s GLU 164 N 2.41 1.27 0.35 1.98 2.02 0.41 -1.17 118.70 125.97 1u0r s GLU 164 Ca 0.36 -0.85 -0.28 0.00 0.02 0.00 0.00 54.97 54.22 1u0r s GLU 164 Cb -0.16 -1.34 -0.10 0.00 0.10 0.00 0.00 34.13 32.63 1u0r s GLU 164 CO 0.10 0.34 1.31 -1.59 0.02 0.00 0.00 175.26 175.45 1u0r s LYS 165 N -1.06 4.25 0.00 1.61 -2.85 -0.06 -2.37 119.74 119.25 1u0r s LYS 165 Ca 0.06 2.21 0.00 0.00 -1.00 0.00 0.00 55.97 57.24 1u0r s LYS 165 Cb -0.08 -2.99 0.00 0.00 -2.06 0.00 0.00 37.83 32.70 1u0r s LYS 165 CO 0.01 -0.27 0.42 0.41 0.10 0.00 0.00 175.35 176.02 1u0r n GLY 166 N 0.75 -1.36 3.69 0.59 0.00 -1.24 -4.79 105.19 102.82 1u0r n GLY 166 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1u0r n GLY 166 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1u0r s PRO 167 N -1.21 1.19 0.16 1.61 0.02 -1.26 -4.95 135.00 130.56 1u0r s PRO 167 Ca 0.00 1.23 -0.01 0.00 0.02 0.00 0.00 61.00 62.24 1u0r s PRO 167 Cb 0.00 -1.77 -0.00 0.00 0.02 0.00 0.00 34.50 32.74 1u0r s PRO 167 CO 0.00 -2.40 1.38 0.00 -0.33 0.00 0.00 177.00 175.64 1u0r h ARG 168 N -1.69 0.32 -6.39 5.54 -0.00 -2.03 -3.46 114.38 106.68 1u0r h ARG 168 Ca -0.46 -0.32 -0.62 0.00 -0.50 0.00 0.00 59.98 58.08 1u0r h ARG 168 Cb 1.27 0.08 -0.14 0.00 0.00 0.00 0.00 29.97 31.18 1u0r h ARG 168 CO 0.48 1.00 -0.74 -0.48 0.00 0.00 0.00 179.97 180.23 1u0r s LEU 169 N -7.69 2.82 0.00 3.04 -0.00 -1.26 -4.96 118.68 110.64 1u0r s LEU 169 Ca -0.05 -0.74 0.00 0.00 -0.00 0.00 0.00 54.13 53.35 1u0r s LEU 169 Cb 0.10 -1.46 0.00 0.00 -0.00 0.00 0.00 46.19 44.83 1u0r s LEU 169 CO 0.84 0.08 0.00 0.61 -0.00 0.00 0.00 176.35 177.88 1u0r n GLY 170 N -0.21 -1.57 3.28 -3.48 0.00 -1.26 -5.03 105.19 96.92 1u0r n GLY 170 Ca -0.09 -1.62 -0.11 0.00 0.00 0.00 0.00 46.02 44.20 1u0r n GLY 170 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u0r s VAL 171 N 0.00 0.08 -0.20 1.61 0.11 -1.26 -5.04 120.40 115.70 1u0r s VAL 171 Ca 0.00 -0.68 -0.09 0.00 -2.93 0.00 0.00 61.98 58.28 1u0r s VAL 171 Cb 0.00 -1.11 -0.04 0.00 -1.53 0.00 0.00 36.38 33.70 1u0r s VAL 171 CO 0.00 -0.37 0.10 -0.22 -3.33 0.00 0.00 175.10 171.27 1u0r s LEU 172 N -2.50 3.97 -0.07 2.54 1.98 -0.73 -4.89 118.68 118.98 1u0r s LEU 172 Ca 0.00 0.12 -0.08 0.00 -2.89 0.00 0.00 54.13 51.27 1u0r s LEU 172 Cb 0.01 -2.02 -0.04 0.00 0.66 0.00 0.00 46.19 44.79 1u0r s LEU 172 CO -0.08 0.15 0.22 -0.83 -1.89 0.00 0.00 176.35 173.92 1u0r s GLY 173 N 0.53 2.24 -0.16 7.98 0.00 -1.26 -0.77 107.32 115.88 1u0r s GLY 173 Ca 0.05 -0.54 -0.13 0.00 0.00 0.00 0.00 44.72 44.10 1u0r s GLY 173 CO 0.00 -0.28 0.42 0.14 0.00 0.00 0.00 173.10 173.39 1u0r s VAL 174 N -1.09 -0.01 -0.15 1.40 1.01 -0.28 -2.21 120.40 119.07 1u0r s VAL 174 Ca 0.19 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.20 1u0r s VAL 174 Cb -0.13 -0.60 -0.01 0.00 0.00 0.00 0.00 36.38 35.64 1u0r s VAL 174 CO 0.09 0.01 -0.14 -0.69 0.00 0.00 0.00 175.10 174.36 1u0r s VAL 175 N 0.63 2.79 -0.24 2.92 1.01 -0.79 -1.53 120.40 125.19 1u0r s VAL 175 Ca -0.03 -0.73 -0.08 0.00 0.00 0.00 0.00 61.98 61.13 1u0r s VAL 175 Cb -0.05 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 1u0r s VAL 175 CO -0.04 0.51 0.10 -0.69 0.00 0.00 0.00 175.10 174.99 1u0r s VAL 176 N 0.70 4.71 -0.05 2.92 1.01 0.10 -1.73 120.40 128.06 1u0r s VAL 176 Ca -0.07 -0.04 0.05 0.00 0.00 0.00 0.00 61.98 61.93 1u0r s VAL 176 Cb -0.15 -3.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.01 1u0r s VAL 176 CO 0.02 0.34 -0.21 -0.70 0.00 0.00 0.00 175.10 174.55 1u0r s GLU 177 N 1.38 2.48 -0.13 2.72 2.12 0.11 0.11 118.70 127.49 1u0r s GLU 177 Ca 0.06 -0.83 0.02 0.00 0.36 0.00 0.00 54.97 54.59 1u0r s GLU 177 Cb -0.15 -2.24 0.01 0.00 0.26 0.00 0.00 34.13 32.01 1u0r s GLU 177 CO 0.05 0.50 -0.21 0.42 -0.54 0.00 0.00 175.26 175.48 1u0r s ILE 178 N -0.43 1.97 -1.26 -3.70 1.01 -0.22 -1.04 121.20 117.53 1u0r s ILE 178 Ca 0.05 -0.93 -0.21 0.00 0.00 0.00 0.00 60.65 59.56 1u0r s ILE 178 Cb -0.12 -1.75 0.02 0.00 0.01 0.00 0.00 42.46 40.62 1u0r s ILE 178 CO 0.01 0.53 0.59 0.47 0.00 0.00 0.00 174.94 176.55 1u0r n ASP 179 N 4.08 -3.28 0.00 3.58 8.00 -0.68 -2.73 116.55 125.51 1u0r n ASP 179 Ca -0.20 -1.16 0.00 0.00 0.71 0.00 0.00 54.79 54.14 1u0r n ASP 179 Cb 0.51 -2.44 0.00 0.00 -0.02 0.00 0.00 41.12 39.17 1u0r n ASP 179 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u0r n GLY 180 N -2.00 2.82 3.71 0.44 0.00 -1.26 -4.99 105.19 103.91 1u0r n GLY 180 Ca -0.16 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 44.91 1u0r n GLY 180 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u0r s ARG 181 N 0.00 2.62 0.45 1.61 1.81 -1.11 -5.04 118.95 119.28 1u0r s ARG 181 Ca 0.00 -0.83 -0.21 0.00 -1.72 0.00 0.00 55.73 52.97 1u0r s ARG 181 Cb 0.00 -2.57 -0.09 0.00 -0.45 0.00 0.00 34.95 31.84 1u0r s ARG 181 CO 0.00 0.54 1.01 -1.25 -0.68 0.00 0.00 175.30 174.91 1u0r s PRO 182 N -2.40 4.04 0.00 3.54 0.04 -1.26 -1.05 135.00 137.90 1u0r s PRO 182 Ca 0.27 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.61 1u0r s PRO 182 Cb -0.12 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.20 1u0r s PRO 182 CO 0.19 -0.22 0.00 1.55 0.04 0.00 0.00 177.00 178.56 1u0r n VAL 183 N -0.64 0.00 -3.64 -0.36 3.14 0.12 -4.83 118.33 112.12 1u0r n VAL 183 Ca 0.07 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.35 1u0r n VAL 183 Cb 0.52 -0.69 -0.07 0.00 -1.06 0.00 0.00 33.84 32.55 1u0r n VAL 183 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1u0r s SER 184 N -2.64 -0.71 -0.14 6.55 0.01 -1.20 -5.00 113.70 110.57 1u0r s SER 184 Ca 0.00 1.28 -0.01 0.00 1.31 0.00 0.00 55.95 58.53 1u0r s SER 184 Cb 0.00 1.30 -0.01 0.00 0.21 0.00 0.00 66.02 67.51 1u0r s SER 184 CO 0.00 -0.21 -0.12 0.00 0.41 0.00 0.00 173.24 173.31 1u0r s ALA 185 N 0.73 2.65 0.32 1.44 0.00 -1.26 -0.72 121.76 124.91 1u0r s ALA 185 Ca -0.02 -0.91 -0.16 0.00 0.00 0.00 0.00 51.96 50.87 1u0r s ALA 185 Cb -0.05 -1.26 0.03 0.00 0.00 0.00 0.00 23.12 21.83 1u0r s ALA 185 CO -0.07 0.19 0.68 -0.59 0.00 0.00 0.00 175.76 175.96 1u0r s PHE 186 N 0.45 0.15 -0.12 0.00 -0.12 -0.58 -5.01 117.98 112.75 1u0r s PHE 186 Ca -0.09 -0.64 -0.07 0.00 -0.05 0.00 0.00 56.93 56.08 1u0r s PHE 186 Cb -0.16 0.58 -0.04 0.00 -0.63 0.00 0.00 43.02 42.78 1u0r s PHE 186 CO 0.05 -1.30 0.13 0.20 -0.05 0.00 0.00 175.22 174.24 1u0r s GLY 187 N -3.02 2.13 0.28 1.99 0.00 -1.26 -1.12 107.32 106.31 1u0r s GLY 187 Ca 0.17 -0.66 -0.03 0.00 0.00 0.00 0.00 44.72 44.20 1u0r s GLY 187 CO 0.10 -0.38 0.43 0.00 0.00 0.00 0.00 173.10 173.25 1u0r h ASP 189 N 1.56 0.00 -0.37 0.00 3.32 -1.14 -1.93 116.42 117.86 1u0r h ASP 189 Ca -0.22 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.82 1u0r h ASP 189 Cb 0.94 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.49 1u0r h ASP 189 CO 0.30 0.01 0.00 0.61 -1.72 0.00 0.00 179.24 178.43 1u0r n GLY 190 N 1.20 -0.55 3.38 2.75 0.00 -1.07 -0.88 105.19 110.01 1u0r n GLY 190 Ca 0.04 -1.31 -0.13 0.00 0.00 0.00 0.00 46.02 44.63 1u0r n GLY 190 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u0r s VAL 191 N -2.91 -0.00 -0.23 1.61 1.01 -0.32 -0.53 120.40 119.03 1u0r s VAL 191 Ca 0.00 0.02 -0.07 0.00 0.00 0.00 0.00 61.98 61.92 1u0r s VAL 191 Cb 0.00 -0.69 -0.03 0.00 0.00 0.00 0.00 36.38 35.66 1u0r s VAL 191 CO 0.00 0.01 0.07 -0.76 0.00 0.00 0.00 175.10 174.41 1u0r s LEU 192 N 0.52 3.56 -0.42 3.92 2.01 -0.46 -1.28 118.68 126.53 1u0r s LEU 192 Ca -0.02 -0.12 -0.11 0.00 0.01 0.00 0.00 54.13 53.89 1u0r s LEU 192 Cb -0.04 -1.94 0.07 0.00 0.01 0.00 0.00 46.19 44.29 1u0r s LEU 192 CO -0.03 0.03 0.28 -0.69 1.01 0.00 0.00 176.35 176.96 1u0r s VAL 193 N 1.22 4.53 0.23 -1.59 1.01 0.01 -1.13 120.40 124.67 1u0r s VAL 193 Ca 0.05 -1.22 0.10 0.00 0.00 0.00 0.00 61.98 60.91 1u0r s VAL 193 Cb -0.14 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 1u0r s VAL 193 CO 0.03 -0.47 -0.11 -0.55 0.00 0.00 0.00 175.10 174.00 1u0r s SER 194 N 2.12 4.07 0.53 3.32 0.15 0.20 -0.44 113.70 123.66 1u0r s SER 194 Ca 0.03 -0.74 -0.06 0.00 0.70 0.00 0.00 55.95 55.88 1u0r s SER 194 Cb -0.23 -0.60 -0.02 0.00 -1.71 0.00 0.00 66.02 63.47 1u0r s SER 194 CO 0.04 0.06 0.84 -0.89 1.20 0.00 0.00 173.24 174.49 1u0r s THR 195 N -2.06 4.43 0.24 6.45 2.01 -0.57 -0.01 115.64 126.13 1u0r s THR 195 Ca 0.27 0.16 -0.06 0.00 0.31 0.00 0.00 61.69 62.38 1u0r s THR 195 Cb -0.07 -3.71 0.20 0.00 0.01 0.00 0.00 72.50 68.93 1u0r s THR 195 CO 0.16 -0.73 1.84 -0.65 -0.69 0.00 0.00 174.62 174.55 1u0r h PRO 196 N 0.05 0.88 -0.57 4.92 0.11 -1.86 -1.86 132.00 133.67 1u0r h PRO 196 Ca -0.46 -0.05 0.07 0.00 0.11 0.00 0.00 66.00 65.67 1u0r h PRO 196 Cb 1.22 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 32.10 1u0r h PRO 196 CO 0.61 0.58 0.38 1.15 -0.21 0.00 0.00 178.00 180.52 1u0r h THR 197 N 0.91 0.96 -0.16 -1.15 2.02 -1.84 -2.37 112.91 111.28 1u0r h THR 197 Ca 0.36 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.38 1u0r h THR 197 Cb 0.19 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.03 1u0r h THR 197 CO -0.18 0.09 0.00 0.61 0.37 0.00 0.00 175.52 176.41 1u0r n GLY 198 N -1.50 0.18 0.14 2.16 0.00 -0.72 -4.11 105.19 101.34 1u0r n GLY 198 Ca 0.08 -0.39 0.04 0.00 0.00 0.00 0.00 46.02 45.75 1u0r n GLY 198 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1u0r n SER 199 N 0.23 0.41 -0.03 1.61 3.41 -0.89 -2.56 113.62 115.79 1u0r n SER 199 Ca 0.16 -1.84 0.02 0.00 -0.26 0.00 0.00 58.87 56.95 1u0r n SER 199 Cb 0.30 -0.04 -0.13 0.00 -0.26 0.00 0.00 64.21 64.08 1u0r n SER 199 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1u0r n THR 200 N -0.35 0.40 0.00 6.66 5.66 -1.26 -3.63 114.28 121.75 1u0r n THR 200 Ca 0.06 -0.48 0.00 0.00 -3.05 0.00 0.00 64.05 60.58 1u0r n THR 200 Cb 0.08 -0.15 0.00 0.00 -1.55 0.00 0.00 70.33 68.72 1u0r n THR 200 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1u0r n ALA 201 N -2.26 0.00 -0.21 1.79 0.00 -1.06 -4.48 120.51 114.29 1u0r n ALA 201 Ca -0.11 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.32 1u0r n ALA 201 Cb 0.65 0.00 0.21 0.00 0.00 0.00 0.00 19.45 20.30 1u0r n ALA 201 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1u0r h TYR 202 N 0.00 0.96 -0.68 0.00 3.20 -1.93 -1.13 116.97 117.40 1u0r h TYR 202 Ca 0.00 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.91 1u0r h TYR 202 Cb 0.00 -0.31 -0.04 0.00 1.54 0.00 0.00 36.73 37.92 1u0r h TYR 202 CO 0.00 0.67 0.45 0.00 -1.64 0.00 0.00 178.16 177.64 1u0r h ALA 203 N 1.44 1.68 -0.31 1.82 0.00 -1.87 0.20 119.26 122.22 1u0r h ALA 203 Ca 0.25 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 1u0r h ALA 203 Cb 0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1u0r h ALA 203 CO -0.04 0.23 0.01 0.35 0.00 0.00 0.00 179.25 179.80 1u0r h PHE 204 N 0.76 0.59 -0.47 0.00 3.57 -1.27 0.16 116.94 120.27 1u0r h PHE 204 Ca 0.29 -0.10 0.07 0.00 3.53 0.00 0.00 57.97 61.76 1u0r h PHE 204 Cb 0.17 -0.16 -0.06 0.00 2.79 0.00 0.00 35.95 38.70 1u0r h PHE 204 CO -0.00 0.66 0.14 0.77 -2.23 0.00 0.00 178.31 177.65 1u0r h SER 205 N 0.35 0.11 0.00 0.41 0.02 -0.51 0.76 113.55 114.69 1u0r h SER 205 Ca 0.09 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1u0r h SER 205 Cb 0.42 0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.03 1u0r h SER 205 CO 0.01 0.09 0.00 0.00 -1.14 0.00 0.00 176.83 175.80 1u0r n ALA 206 N -2.44 2.25 -0.12 3.77 0.00 0.09 -4.81 120.51 119.24 1u0r n ALA 206 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1u0r n ALA 206 Cb 0.20 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.65 1u0r n ALA 206 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u0r n GLY 207 N 0.25 0.77 3.82 0.00 0.00 0.26 -4.82 105.19 105.46 1u0r n GLY 207 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1u0r n GLY 207 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1u0r s GLY 208 N -1.60 1.62 0.71 -0.02 0.00 0.54 -4.85 107.32 103.72 1u0r s GLY 208 Ca 0.00 -0.26 -0.07 0.00 0.00 0.00 0.00 44.72 44.39 1u0r s GLY 208 CO 0.00 0.16 1.03 2.56 0.00 0.00 0.00 173.10 176.85 1u0r s PRO 209 N -5.22 2.20 -0.13 2.90 0.04 -1.26 -4.62 135.00 128.91 1u0r s PRO 209 Ca 0.60 -0.21 -0.11 0.00 0.04 0.00 0.00 61.00 61.32 1u0r s PRO 209 Cb -0.14 -2.15 -0.05 0.00 0.04 0.00 0.00 34.50 32.21 1u0r s PRO 209 CO 0.53 -1.26 0.24 0.54 0.04 0.00 0.00 177.00 177.09 1u0r s VAL 210 N -3.27 5.34 -0.06 -0.36 0.11 -1.26 -4.87 120.40 116.03 1u0r s VAL 210 Ca 0.60 0.43 0.02 0.00 -2.93 0.00 0.00 61.98 60.10 1u0r s VAL 210 Cb -0.11 -3.54 -0.03 0.00 -1.53 0.00 0.00 36.38 31.17 1u0r s VAL 210 CO 0.45 0.50 -0.11 -0.76 -3.33 0.00 0.00 175.10 171.86 1u0r s LEU 211 N -0.28 2.94 0.37 2.54 1.02 -1.26 -5.10 118.68 118.90 1u0r s LEU 211 Ca 0.16 -0.12 -0.26 0.00 0.02 0.00 0.00 54.13 53.93 1u0r s LEU 211 Cb -0.13 -1.62 -0.09 0.00 0.02 0.00 0.00 46.19 44.37 1u0r s LEU 211 CO 0.04 0.34 1.13 0.26 0.02 0.00 0.00 176.35 178.14 1u0r s TRP 212 N -0.71 3.25 0.25 0.29 0.23 -1.26 -4.71 118.94 116.28 1u0r s TRP 212 Ca 0.11 1.61 -0.03 0.00 -2.03 0.00 0.00 56.10 55.75 1u0r s TRP 212 Cb -0.11 -3.31 0.39 0.00 0.03 0.00 0.00 33.47 30.48 1u0r s TRP 212 CO 0.01 -0.97 1.85 -1.35 0.96 0.00 0.00 176.95 177.46 1u0r h PRO 213 N 2.92 0.98 0.00 4.98 0.11 -1.96 -2.39 132.00 136.63 1u0r h PRO 213 Ca -0.48 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.54 1u0r h PRO 213 Cb 1.22 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 1u0r h PRO 213 CO 0.64 0.65 -0.12 0.38 -0.21 0.00 0.00 178.00 179.33 1u0r h ASP 214 N 1.01 0.00 -3.26 -2.05 -0.00 -1.96 -3.42 116.42 106.74 1u0r h ASP 214 Ca 0.41 0.00 -0.58 0.00 -0.00 0.00 0.00 57.03 56.86 1u0r h ASP 214 Cb 0.24 0.00 0.16 0.00 -0.00 0.00 0.00 39.33 39.73 1u0r h ASP 214 CO -0.20 0.12 -0.06 -0.11 -0.00 0.00 0.00 179.24 178.99 1u0r n LEU 215 N -3.90 2.44 -4.14 0.15 7.94 -0.90 -4.97 117.00 113.62 1u0r n LEU 215 Ca -0.02 0.82 -0.38 0.00 -1.11 0.00 0.00 56.01 55.32 1u0r n LEU 215 Cb 0.22 -1.30 -0.09 0.00 0.53 0.00 0.00 43.42 42.77 1u0r n LEU 215 CO 0.32 -2.24 0.00 -1.61 -1.11 0.00 0.00 177.39 172.75 1u0r s GLU 216 N -2.39 2.47 0.35 1.96 2.02 -1.26 -4.77 118.70 117.09 1u0r s GLU 216 Ca 0.71 -2.21 -0.13 0.00 0.02 0.00 0.00 54.97 53.36 1u0r s GLU 216 Cb -0.45 -3.78 0.04 0.00 0.10 0.00 0.00 34.13 30.04 1u0r s GLU 216 CO 0.51 -1.16 0.69 0.00 0.02 0.00 0.00 175.26 175.32 1u0r s ALA 217 N 0.51 -0.43 -0.04 5.21 0.00 -1.26 -3.94 121.76 121.81 1u0r s ALA 217 Ca 0.13 -0.88 0.04 0.00 0.00 0.00 0.00 51.96 51.24 1u0r s ALA 217 Cb -0.21 0.83 0.00 0.00 0.00 0.00 0.00 23.12 23.74 1u0r s ALA 217 CO -0.04 -0.94 -0.14 0.42 0.00 0.00 0.00 175.76 175.06 1u0r s ILE 218 N -2.78 1.19 -0.10 0.00 1.01 -0.68 -4.25 121.20 115.59 1u0r s ILE 218 Ca 0.19 -0.58 -0.00 0.00 0.00 0.00 0.00 60.65 60.26 1u0r s ILE 218 Cb -0.04 -1.04 -0.02 0.00 0.01 0.00 0.00 42.46 41.37 1u0r s ILE 218 CO 0.13 0.35 -0.09 -0.22 0.00 0.00 0.00 174.94 175.11 1u0r s LEU 219 N 0.15 2.99 -0.12 2.97 2.96 0.99 -0.71 118.68 127.91 1u0r s LEU 219 Ca -0.05 -0.16 0.01 0.00 -0.22 0.00 0.00 54.13 53.71 1u0r s LEU 219 Cb -0.11 -1.67 0.02 0.00 0.50 0.00 0.00 46.19 44.93 1u0r s LEU 219 CO 0.02 0.26 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.49 1u0r s VAL 220 N -0.20 1.35 -0.28 1.68 1.01 -0.05 0.62 120.40 124.53 1u0r s VAL 220 Ca 0.02 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.48 1u0r s VAL 220 Cb -0.13 -1.28 0.08 0.00 0.00 0.00 0.00 36.38 35.05 1u0r s VAL 220 CO 0.03 0.42 0.03 -0.69 0.00 0.00 0.00 175.10 174.89 1u0r s VAL 221 N 1.31 1.29 0.21 2.92 1.01 -0.29 -0.90 120.40 125.96 1u0r s VAL 221 Ca -0.00 -1.41 -0.32 0.00 0.00 0.00 0.00 61.98 60.25 1u0r s VAL 221 Cb -0.14 -1.81 -0.12 0.00 0.00 0.00 0.00 36.38 34.31 1u0r s VAL 221 CO -0.06 -0.42 1.67 -0.81 0.00 0.00 0.00 175.10 175.48 1u0r n PRO 222 N 4.71 2.64 -2.91 2.72 -0.04 -1.26 -1.35 135.00 139.50 1u0r n PRO 222 Ca -0.05 0.95 -0.42 0.00 -0.04 0.00 0.00 63.50 63.93 1u0r n PRO 222 Cb 0.43 -2.77 -0.05 0.00 -0.04 0.00 0.00 33.50 31.08 1u0r n PRO 222 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1u0r s ASN 223 N 1.01 6.56 -1.28 3.54 3.04 0.31 -4.38 114.94 123.74 1u0r s ASN 223 Ca 0.74 0.35 -0.13 0.00 0.04 0.00 0.00 52.86 53.86 1u0r s ASN 223 Cb -0.54 -2.41 0.00 0.00 -1.54 0.00 0.00 41.25 36.76 1u0r s ASN 223 CO 0.36 -0.80 0.59 0.59 -3.04 0.00 0.00 177.10 174.80 1u0r n ASN 224 N 6.57 -2.77 -4.73 -4.21 3.02 -1.26 -1.13 115.26 110.76 1u0r n ASN 224 Ca 0.04 -1.05 -0.42 0.00 -0.03 0.00 0.00 54.58 53.12 1u0r n ASN 224 Cb 0.48 -2.99 -0.03 0.00 -0.61 0.00 0.00 39.78 36.63 1u0r n ASN 224 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u0r s ALA 225 N -3.72 3.41 -1.09 5.41 0.00 -1.26 -3.40 121.76 121.11 1u0r s ALA 225 Ca 0.25 0.88 -0.14 0.00 0.00 0.00 0.00 51.96 52.96 1u0r s ALA 225 Cb -0.10 -3.42 0.19 0.00 0.00 0.00 0.00 23.12 19.79 1u0r s ALA 225 CO 0.89 -0.37 1.22 -1.58 0.00 0.00 0.00 175.76 175.92 1u0r s HIS 226 N 0.42 3.64 -0.13 0.00 2.46 -0.14 -4.88 115.29 116.66 1u0r s HIS 226 Ca 0.55 -2.10 -0.31 0.00 0.47 0.00 0.00 55.06 53.66 1u0r s HIS 226 Cb -0.31 -4.14 0.13 0.00 -0.13 0.00 0.00 32.58 28.13 1u0r s HIS 226 CO 0.33 -1.26 1.06 0.00 -2.47 0.00 0.00 174.74 172.40 1u0r s ALA 227 N 0.96 -1.96 0.15 1.58 0.00 -1.26 -4.52 121.76 116.71 1u0r s ALA 227 Ca 0.35 1.43 -0.10 0.00 0.00 0.00 0.00 51.96 53.65 1u0r s ALA 227 Cb -0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 23.12 22.83 1u0r s ALA 227 CO -0.05 -0.52 1.48 -0.07 0.00 0.00 0.00 175.76 176.61 1u0r h LEU 228 N 2.15 0.95 -8.22 0.00 4.07 -2.00 -3.39 115.31 108.87 1u0r h LEU 228 Ca -0.16 -0.44 -0.70 0.00 0.08 0.00 0.00 57.88 56.66 1u0r h LEU 228 Cb 1.19 -0.27 -0.27 0.00 1.08 0.00 0.00 40.66 42.39 1u0r h LEU 228 CO 0.27 1.23 -0.55 0.12 -1.08 0.00 0.00 178.44 178.43 1u0r s PHE 229 N -4.35 3.27 -0.02 1.13 5.36 -1.26 -4.73 117.98 117.39 1u0r s PHE 229 Ca -0.10 -1.33 0.13 0.00 -0.96 0.00 0.00 56.93 54.66 1u0r s PHE 229 Cb 0.11 -2.46 0.23 0.00 -0.34 0.00 0.00 43.02 40.56 1u0r s PHE 229 CO 0.88 -0.73 1.09 0.41 -1.46 0.00 0.00 175.22 175.41 1u0r n GLY 230 N 4.88 1.15 3.53 13.12 0.00 -1.26 -5.04 105.19 121.57 1u0r n GLY 230 Ca -0.12 -0.50 -0.39 0.00 0.00 0.00 0.00 46.02 45.02 1u0r n GLY 230 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u0r n ARG 231 N 0.11 0.74 -1.93 1.61 5.12 -1.26 -4.46 116.66 116.59 1u0r n ARG 231 Ca 0.04 0.28 -0.40 0.00 -1.93 0.00 0.00 57.85 55.84 1u0r n ARG 231 Cb 0.90 -1.87 -0.00 0.00 -1.16 0.00 0.00 32.46 30.33 1u0r n ARG 231 CO 0.00 0.00 0.00 -2.14 -1.93 0.00 0.00 177.63 173.56 1u0r s PRO 232 N -2.24 4.03 -0.03 5.56 0.02 -1.26 -4.61 135.00 136.47 1u0r s PRO 232 Ca 0.70 2.35 0.06 0.00 0.02 0.00 0.00 61.00 64.13 1u0r s PRO 232 Cb -0.46 -2.86 -0.02 0.00 0.02 0.00 0.00 34.50 31.17 1u0r s PRO 232 CO 0.53 -0.51 -0.21 -1.64 -0.33 0.00 0.00 177.00 174.83 1u0r s MET 233 N -2.15 2.25 -0.08 5.54 -1.94 -0.08 -4.98 119.30 117.86 1u0r s MET 233 Ca 0.55 -0.85 0.05 0.00 -1.71 0.00 0.00 55.69 53.73 1u0r s MET 233 Cb -0.42 -2.18 -0.00 0.00 2.01 0.00 0.00 34.83 34.24 1u0r s MET 233 CO 0.56 0.58 -0.23 0.08 -0.01 0.00 0.00 175.02 176.00 1u0r s VAL 234 N -0.68 1.98 0.22 -6.03 1.01 -1.26 -0.87 120.40 114.76 1u0r s VAL 234 Ca 0.11 -0.99 0.10 0.00 0.00 0.00 0.00 61.98 61.20 1u0r s VAL 234 Cb -0.10 -1.70 -0.05 0.00 0.00 0.00 0.00 36.38 34.53 1u0r s VAL 234 CO 0.00 0.55 -0.20 -0.89 0.00 0.00 0.00 175.10 174.56 1u0r s THR 235 N 0.20 2.20 0.90 3.92 2.01 0.11 -4.96 115.64 120.02 1u0r s THR 235 Ca -0.14 -2.19 -0.12 0.00 0.31 0.00 0.00 61.69 59.56 1u0r s THR 235 Cb -0.16 -2.12 0.13 0.00 0.01 0.00 0.00 72.50 70.35 1u0r s THR 235 CO 0.07 -0.34 1.10 -0.94 -0.69 0.00 0.00 174.62 173.81 1u0r s SER 236 N -3.10 3.51 0.56 3.53 1.04 -1.26 -1.68 113.70 116.29 1u0r s SER 236 Ca 0.24 1.38 0.26 0.00 0.48 0.00 0.00 55.95 58.30 1u0r s SER 236 Cb -0.05 -2.06 1.61 0.00 0.10 0.00 0.00 66.02 65.62 1u0r s SER 236 CO 0.11 -2.60 2.19 -0.65 0.98 0.00 0.00 173.24 173.26 1u0r h PRO 237 N -1.52 0.00 -0.55 4.02 0.11 -1.88 -2.95 132.00 129.23 1u0r h PRO 237 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1u0r h PRO 237 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1u0r h PRO 237 CO 0.56 0.04 0.00 0.39 -0.21 0.00 0.00 178.00 178.78 1u0r n GLU 238 N -3.96 3.29 -1.33 1.05 4.71 -1.26 -4.14 120.64 119.00 1u0r n GLU 238 Ca -0.03 -2.66 -0.29 0.00 -0.01 0.00 0.00 57.16 54.17 1u0r n GLU 238 Cb 0.12 -1.70 0.20 0.00 -1.01 0.00 0.00 31.44 29.05 1u0r n GLU 238 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1u0r s ALA 239 N -1.64 1.16 -0.21 0.62 0.00 -1.11 -4.95 121.76 115.62 1u0r s ALA 239 Ca 0.43 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.62 1u0r s ALA 239 Cb 0.27 -2.95 0.05 0.00 0.00 0.00 0.00 23.12 20.50 1u0r s ALA 239 CO 0.22 -2.99 -0.07 0.99 0.00 0.00 0.00 175.76 173.92 1u0r s THR 240 N -3.19 1.46 -0.05 0.00 2.01 -1.26 -4.51 115.64 110.10 1u0r s THR 240 Ca 0.69 -1.02 -0.24 0.00 0.31 0.00 0.00 61.69 61.42 1u0r s THR 240 Cb -0.12 -1.65 -0.04 0.00 0.01 0.00 0.00 72.50 70.70 1u0r s THR 240 CO 0.55 0.03 0.74 -0.63 -0.69 0.00 0.00 174.62 174.62 1u0r s ILE 241 N 1.45 5.00 -0.04 1.82 -1.09 -0.03 -1.69 121.20 126.61 1u0r s ILE 241 Ca -0.03 1.53 0.02 0.00 -2.23 0.00 0.00 60.65 59.94 1u0r s ILE 241 Cb -0.17 -4.08 0.01 0.00 -1.58 0.00 0.00 42.46 36.64 1u0r s ILE 241 CO -0.07 0.25 -0.09 0.00 -1.23 0.00 0.00 174.94 173.80 1u0r s ALA 242 N 0.73 0.95 -0.15 9.38 0.00 -0.21 0.66 121.76 133.12 1u0r s ALA 242 Ca 0.39 -0.29 0.02 0.00 0.00 0.00 0.00 51.96 52.07 1u0r s ALA 242 Cb -0.18 -0.42 0.02 0.00 0.00 0.00 0.00 23.12 22.53 1u0r s ALA 242 CO 0.20 0.10 -0.20 0.42 0.00 0.00 0.00 175.76 176.28 1u0r s ILE 243 N 0.51 1.94 -0.28 0.00 1.01 -0.38 0.04 121.20 124.04 1u0r s ILE 243 Ca -0.09 -0.89 -0.15 0.00 0.00 0.00 0.00 60.65 59.53 1u0r s ILE 243 Cb -0.12 -1.74 -0.04 0.00 0.01 0.00 0.00 42.46 40.57 1u0r s ILE 243 CO 0.01 0.52 0.36 -1.61 0.00 0.00 0.00 174.94 174.23 1u0r s GLU 244 N 1.08 3.98 -0.01 2.79 2.02 -0.71 -0.01 118.70 127.84 1u0r s GLU 244 Ca -0.01 -0.02 -0.30 0.00 0.02 0.00 0.00 54.97 54.66 1u0r s GLU 244 Cb -0.14 -3.67 -0.04 0.00 0.10 0.00 0.00 34.13 30.38 1u0r s GLU 244 CO -0.07 -0.29 1.17 0.42 0.02 0.00 0.00 175.26 176.51 1u0r s ILE 245 N 2.05 4.25 0.49 -1.63 -1.09 -1.11 -1.88 121.20 122.29 1u0r s ILE 245 Ca 0.14 1.60 -0.24 0.00 -2.23 0.00 0.00 60.65 59.92 1u0r s ILE 245 Cb -0.16 -4.03 -0.07 0.00 -1.58 0.00 0.00 42.46 36.63 1u0r s ILE 245 CO 0.10 0.06 1.38 -0.70 -1.23 0.00 0.00 174.94 174.55 1u0r s GLU 246 N 1.64 3.46 0.00 2.79 2.12 -0.94 -1.78 118.70 125.99 1u0r s GLU 246 Ca 0.56 2.29 -0.16 0.00 0.36 0.00 0.00 54.97 58.02 1u0r s GLU 246 Cb -0.26 -2.47 -0.09 0.00 0.26 0.00 0.00 34.13 31.57 1u0r s GLU 246 CO 0.25 -0.96 0.87 0.00 -0.54 0.00 0.00 175.26 174.88 1u0r h ALA 247 N 1.94 -0.78 -0.04 6.30 0.00 -1.89 -2.68 119.26 122.10 1u0r h ALA 247 Ca -0.51 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.29 1u0r h ALA 247 Cb 1.28 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.29 1u0r h ALA 247 CO 0.59 -0.74 0.28 -0.44 0.00 0.00 0.00 179.25 178.95 1u0r h ASP 248 N -0.83 0.00 0.00 0.00 3.32 -1.95 -3.40 116.42 113.56 1u0r h ASP 248 Ca -0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1u0r h ASP 248 Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 1u0r h ASP 248 CO 0.10 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.23 1u0r n GLY 249 N -1.23 -0.19 3.99 2.75 0.00 -1.24 -5.08 105.19 104.20 1u0r n GLY 249 Ca -0.01 -1.54 -0.18 0.00 0.00 0.00 0.00 46.02 44.29 1u0r n GLY 249 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1u0r s HIS 250 N 0.00 2.77 1.18 1.61 3.76 -1.26 -4.89 115.29 118.47 1u0r s HIS 250 Ca 0.00 -0.42 -0.15 0.00 -0.15 0.00 0.00 55.06 54.34 1u0r s HIS 250 Cb 0.00 -2.35 0.28 0.00 1.11 0.00 0.00 32.58 31.62 1u0r s HIS 250 CO 0.00 -0.39 1.03 -0.51 -0.85 0.00 0.00 174.74 174.02 1u0r s ASP 251 N -4.32 0.92 0.20 1.40 1.01 -1.26 -4.19 116.67 110.43 1u0r s ASP 251 Ca 0.54 1.20 0.03 0.00 0.71 0.00 0.00 52.55 55.04 1u0r s ASP 251 Cb -0.09 -1.84 -0.01 0.00 1.01 0.00 0.00 42.92 41.98 1u0r s ASP 251 CO 0.32 -4.19 0.20 0.00 0.21 0.00 0.00 175.17 171.71 1u0r n ALA 252 N -4.88 0.27 -2.93 5.23 0.00 0.16 -3.70 120.51 114.66 1u0r n ALA 252 Ca 0.06 -1.12 -0.11 0.00 0.00 0.00 0.00 53.44 52.27 1u0r n ALA 252 Cb 0.57 0.90 -0.11 0.00 0.00 0.00 0.00 19.45 20.81 1u0r n ALA 252 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1u0r s LEU 253 N 0.00 2.24 0.09 0.00 1.43 -1.00 0.12 118.68 121.56 1u0r s LEU 253 Ca 0.22 -0.50 0.07 0.00 -1.03 0.00 0.00 54.13 52.89 1u0r s LEU 253 Cb 0.01 -0.01 -0.03 0.00 0.03 0.00 0.00 46.19 46.18 1u0r s LEU 253 CO 0.16 -0.25 -0.19 0.68 0.23 0.00 0.00 176.35 176.98 1u0r s VAL 254 N -1.38 1.54 -0.07 -1.59 -7.23 -0.43 -0.44 120.40 110.79 1u0r s VAL 254 Ca -0.13 -1.44 0.05 0.00 -1.81 0.00 0.00 61.98 58.65 1u0r s VAL 254 Cb -0.10 -1.41 -0.00 0.00 0.56 0.00 0.00 36.38 35.43 1u0r s VAL 254 CO -0.00 -0.08 -0.24 -0.36 -0.31 0.00 0.00 175.10 174.11 1u0r s PHE 255 N -1.16 2.40 -0.38 2.82 0.40 -0.57 -1.47 117.98 120.02 1u0r s PHE 255 Ca 0.04 -0.83 -0.11 0.00 -0.60 0.00 0.00 56.93 55.43 1u0r s PHE 255 Cb -0.10 -1.59 0.02 0.00 0.51 0.00 0.00 43.02 41.87 1u0r s PHE 255 CO 0.03 -0.30 0.22 0.00 0.70 0.00 0.00 175.22 175.88 1u0r n ASP 257 N 5.02 -3.62 -0.93 0.00 9.92 -0.93 -2.43 116.55 123.57 1u0r n ASP 257 Ca -0.12 0.10 -0.09 0.00 -0.53 0.00 0.00 54.79 54.15 1u0r n ASP 257 Cb 0.46 -2.45 -0.02 0.00 -0.64 0.00 0.00 41.12 38.48 1u0r n ASP 257 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1u0r n GLY 258 N -1.41 0.42 0.79 0.44 0.00 -1.26 -4.83 105.19 99.35 1u0r n GLY 258 Ca -0.10 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1u0r n GLY 258 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1u0r n ARG 259 N -2.22 0.00 -3.08 1.61 1.85 -1.07 -5.06 116.66 108.69 1u0r n ARG 259 Ca -0.10 0.00 -0.45 0.00 -1.00 0.00 0.00 57.85 56.30 1u0r n ARG 259 Cb 0.48 -0.09 -0.04 0.00 -1.05 0.00 0.00 32.46 31.75 1u0r n ARG 259 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 1u0r s ARG 260 N -1.40 3.17 0.26 2.89 0.52 -1.02 -4.85 118.95 118.53 1u0r s ARG 260 Ca 0.00 -1.42 -0.05 0.00 -0.52 0.00 0.00 55.73 53.74 1u0r s ARG 260 Cb 0.00 -4.36 -0.05 0.00 0.52 0.00 0.00 34.95 31.06 1u0r s ARG 260 CO 0.00 -1.58 0.53 -2.00 0.02 0.00 0.00 175.30 172.27 1u0r s GLU 261 N 2.62 3.65 -0.05 3.54 2.12 -1.26 -2.59 118.70 126.73 1u0r s GLU 261 Ca 0.16 0.01 -0.05 0.00 0.36 0.00 0.00 54.97 55.45 1u0r s GLU 261 Cb -0.20 -2.67 0.01 0.00 0.26 0.00 0.00 34.13 31.53 1u0r s GLU 261 CO 0.03 0.26 0.15 -1.64 -0.54 0.00 0.00 175.26 173.52 1u0r s MET 262 N -3.37 0.18 0.03 4.30 -1.94 -0.55 -5.00 119.30 112.96 1u0r s MET 262 Ca 0.44 0.19 -0.20 0.00 -1.71 0.00 0.00 55.69 54.40 1u0r s MET 262 Cb -0.11 0.09 -0.06 0.00 2.01 0.00 0.00 34.83 36.76 1u0r s MET 262 CO 0.28 -0.02 0.60 -1.17 -0.01 0.00 0.00 175.02 174.70 1u0r s LEU 263 N 0.03 4.46 -0.45 -0.03 1.98 -1.26 -1.31 118.68 122.10 1u0r s LEU 263 Ca -0.01 1.23 -0.02 0.00 -2.89 0.00 0.00 54.13 52.45 1u0r s LEU 263 Cb -0.01 -2.94 0.12 0.00 0.66 0.00 0.00 46.19 44.02 1u0r s LEU 263 CO 0.00 0.16 0.23 -0.63 -1.89 0.00 0.00 176.35 174.23 1u0r s ILE 264 N -0.54 3.20 0.47 6.68 -1.09 0.33 -4.90 121.20 125.34 1u0r s ILE 264 Ca 0.31 -2.33 -0.24 0.00 -2.23 0.00 0.00 60.65 56.15 1u0r s ILE 264 Cb -0.19 -3.19 -0.08 0.00 -1.58 0.00 0.00 42.46 37.42 1u0r s ILE 264 CO 0.18 -0.72 1.32 -2.65 -1.23 0.00 0.00 174.94 171.84 1u0r n PRO 265 N 4.26 1.92 -1.52 2.79 -0.02 -1.26 -0.66 135.00 140.50 1u0r n PRO 265 Ca 0.01 0.69 -0.46 0.00 -2.02 0.00 0.00 63.50 61.72 1u0r n PRO 265 Cb 0.40 -2.48 -0.02 0.00 -0.02 0.00 0.00 33.50 31.38 1u0r n PRO 265 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1u0r n ALA 266 N -0.46 -1.21 -0.90 3.55 0.00 -1.26 -1.22 120.51 119.01 1u0r n ALA 266 Ca 0.07 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1u0r n ALA 266 Cb 0.42 -1.87 0.00 0.00 0.00 0.00 0.00 19.45 18.00 1u0r n ALA 266 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u0r n GLY 267 N 1.51 0.61 0.00 0.00 0.00 -0.73 -4.79 105.19 101.79 1u0r n GLY 267 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1u0r n GLY 267 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1u0r n SER 268 N -0.08 0.00 -3.67 1.61 3.41 -0.36 -4.81 113.62 109.72 1u0r n SER 268 Ca 0.00 -0.58 -0.08 0.00 -0.26 0.00 0.00 58.87 57.95 1u0r n SER 268 Cb 0.04 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.90 1u0r n SER 268 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1u0r s ARG 269 N -1.00 0.37 -0.14 4.33 3.52 -0.66 -2.73 118.95 122.63 1u0r s ARG 269 Ca 0.00 1.01 -0.13 0.00 -0.13 0.00 0.00 55.73 56.47 1u0r s ARG 269 Cb 0.00 0.27 -0.05 0.00 -1.56 0.00 0.00 34.95 33.61 1u0r s ARG 269 CO 0.00 -0.22 0.29 -0.51 -0.81 0.00 0.00 175.30 174.05 1u0r s LEU 270 N 2.28 4.28 -0.15 -0.88 1.43 0.98 -0.79 118.68 125.83 1u0r s LEU 270 Ca -0.04 0.55 0.00 0.00 -1.03 0.00 0.00 54.13 53.61 1u0r s LEU 270 Cb -0.11 -2.37 0.02 0.00 0.03 0.00 0.00 46.19 43.77 1u0r s LEU 270 CO -0.13 0.15 -0.13 -1.61 0.23 0.00 0.00 176.35 174.85 1u0r s GLU 271 N 0.19 2.21 -0.07 1.70 2.02 -0.31 -1.25 118.70 123.18 1u0r s GLU 271 Ca 0.17 -0.57 0.02 0.00 0.02 0.00 0.00 54.97 54.61 1u0r s GLU 271 Cb -0.13 -2.11 -0.03 0.00 0.10 0.00 0.00 34.13 31.97 1u0r s GLU 271 CO 0.05 -0.26 -0.12 0.08 0.02 0.00 0.00 175.26 175.03 1u0r s VAL 272 N 1.49 3.26 0.06 2.63 1.01 0.21 -1.46 120.40 127.61 1u0r s VAL 272 Ca 0.04 -0.64 -0.08 0.00 0.00 0.00 0.00 61.98 61.31 1u0r s VAL 272 Cb -0.13 -2.31 -0.01 0.00 0.00 0.00 0.00 36.38 33.93 1u0r s VAL 272 CO -0.10 0.58 0.16 0.42 0.00 0.00 0.00 175.10 176.15 1u0r s THR 273 N -0.56 0.14 0.49 3.92 -4.23 -0.54 -0.85 115.64 114.02 1u0r s THR 273 Ca 0.08 -1.15 -0.23 0.00 -1.18 0.00 0.00 61.69 59.22 1u0r s THR 273 Cb -0.12 -1.17 -0.06 0.00 1.34 0.00 0.00 72.50 72.49 1u0r s THR 273 CO 0.02 -0.63 1.25 0.00 -0.54 0.00 0.00 174.62 174.72 1u0r s ARG 274 N -3.31 3.53 0.01 3.99 1.04 -1.26 0.03 118.95 122.98 1u0r s ARG 274 Ca 0.01 1.99 -0.11 0.00 -1.04 0.00 0.00 55.73 56.57 1u0r s ARG 274 Cb 0.03 -2.38 -0.05 0.00 -2.04 0.00 0.00 34.95 30.51 1u0r s ARG 274 CO -0.08 -0.80 0.36 0.00 -0.04 0.00 0.00 175.30 174.74 1u0r h VAL 276 N 3.41 0.50 -3.38 0.00 -1.51 -1.94 -3.37 116.25 109.96 1u0r h VAL 276 Ca -0.51 -0.10 -0.72 0.00 -1.23 0.00 0.00 66.70 64.13 1u0r h VAL 276 Cb 1.21 0.18 -0.27 0.00 -2.13 0.00 0.00 31.29 30.28 1u0r h VAL 276 CO 0.63 0.05 -0.42 -0.89 -1.23 0.00 0.00 177.57 175.72 1u0r s THR 277 N -6.02 4.45 0.79 7.19 2.01 -1.26 -5.07 115.64 117.73 1u0r s THR 277 Ca -0.13 -1.42 -0.13 0.00 0.31 0.00 0.00 61.69 60.33 1u0r s THR 277 Cb 0.22 -3.76 0.07 0.00 0.01 0.00 0.00 72.50 69.05 1u0r s THR 277 CO 0.76 -0.59 1.20 -0.44 -0.69 0.00 0.00 174.62 174.86 1u0r s SER 278 N 2.38 3.78 0.43 3.53 0.01 -1.26 -4.83 113.70 117.73 1u0r s SER 278 Ca 0.04 2.32 -0.18 0.00 1.31 0.00 0.00 55.95 59.44 1u0r s SER 278 Cb -0.24 -2.58 -0.09 0.00 0.21 0.00 0.00 66.02 63.31 1u0r s SER 278 CO 0.02 -2.54 0.90 -0.69 0.41 0.00 0.00 173.24 171.34 1u0r s VAL 279 N -2.17 4.52 -0.09 3.43 1.01 -1.18 -4.92 120.40 120.99 1u0r s VAL 279 Ca 0.72 1.23 0.02 0.00 0.00 0.00 0.00 61.98 63.95 1u0r s VAL 279 Cb -0.28 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 1u0r s VAL 279 CO 0.50 -0.40 -0.14 -0.54 0.00 0.00 0.00 175.10 174.52 1u0r s LYS 280 N -3.41 2.97 -0.23 2.72 1.02 -1.26 -1.85 119.74 119.70 1u0r s LYS 280 Ca 0.59 -0.69 0.02 0.00 0.02 0.00 0.00 55.97 55.91 1u0r s LYS 280 Cb -0.10 -2.51 0.05 0.00 -0.52 0.00 0.00 37.83 34.75 1u0r s LYS 280 CO 0.20 0.41 -0.13 -1.58 -0.92 0.00 0.00 175.35 173.32 1u0r s TRP 281 N -0.16 2.99 0.30 3.18 0.52 -1.05 -2.10 118.94 122.63 1u0r s TRP 281 Ca -0.01 -2.02 -0.29 0.00 0.02 0.00 0.00 56.10 53.80 1u0r s TRP 281 Cb -0.13 -1.88 -0.10 0.00 -1.15 0.00 0.00 33.47 30.20 1u0r s TRP 281 CO 0.03 -0.84 1.44 0.00 0.02 0.00 0.00 176.95 177.60 1u0r s ALA 282 N 1.20 3.60 -0.03 0.98 0.00 0.04 -2.44 121.76 125.11 1u0r s ALA 282 Ca -0.04 1.39 0.01 0.00 0.00 0.00 0.00 51.96 53.32 1u0r s ALA 282 Cb -0.17 -3.56 0.02 0.00 0.00 0.00 0.00 23.12 19.41 1u0r s ALA 282 CO -0.08 -0.81 -0.03 1.03 0.00 0.00 0.00 175.76 175.87 1u0r s ARG 283 N -1.04 0.63 0.24 0.00 1.81 0.26 -4.71 118.95 116.14 1u0r s ARG 283 Ca 0.56 -0.07 0.01 0.00 -1.72 0.00 0.00 55.73 54.52 1u0r s ARG 283 Cb -0.43 -0.68 0.01 0.00 -0.45 0.00 0.00 34.95 33.40 1u0r s ARG 283 CO 0.50 -0.07 0.11 1.28 -0.68 0.00 0.00 175.30 176.44 1u0r n LEU 284 N 3.92 0.00 -4.56 2.53 4.32 -1.26 -0.70 117.00 121.24 1u0r n LEU 284 Ca -0.25 -1.35 -0.35 0.00 -0.02 0.00 0.00 56.01 54.04 1u0r n LEU 284 Cb 0.51 0.06 -0.04 0.00 -1.62 0.00 0.00 43.42 42.33 1u0r n LEU 284 CO 0.24 -0.32 1.45 -1.81 -1.22 0.00 0.00 177.39 175.72 1u0r s ASP 285 N -2.37 5.95 0.43 -1.43 1.11 -1.26 -4.92 116.67 114.18 1u0r s ASP 285 Ca 0.08 -1.20 0.01 0.00 0.18 0.00 0.00 52.55 51.62 1u0r s ASP 285 Cb -0.01 -2.57 -0.00 0.00 1.07 0.00 0.00 42.92 41.41 1u0r s ASP 285 CO 0.05 -2.01 0.02 -1.54 1.18 0.00 0.00 175.17 172.87 1u0r n SER 286 N 10.98 2.91 -4.77 0.27 3.41 -1.26 -5.10 113.62 120.06 1u0r n SER 286 Ca 0.37 -2.93 -0.41 0.00 -0.26 0.00 0.00 58.87 55.64 1u0r n SER 286 Cb 0.49 0.40 -0.02 0.00 -0.26 0.00 0.00 64.21 64.83 1u0r n SER 286 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u0r s ALA 287 N -2.79 3.55 0.76 7.33 0.00 -1.26 -4.98 121.76 124.36 1u0r s ALA 287 Ca 0.03 1.38 -0.12 0.00 0.00 0.00 0.00 51.96 53.24 1u0r s ALA 287 Cb 0.00 -3.53 0.05 0.00 0.00 0.00 0.00 23.12 19.64 1u0r s ALA 287 CO 0.02 -0.79 1.11 -1.25 0.00 0.00 0.00 175.76 174.85 1u0r s PRO 288 N -1.64 2.19 0.60 0.00 0.04 -1.26 -4.86 135.00 130.07 1u0r s PRO 288 Ca 0.52 1.33 0.28 0.00 0.04 0.00 0.00 61.00 63.17 1u0r s PRO 288 Cb -0.42 -1.88 1.37 0.00 0.04 0.00 0.00 34.50 33.60 1u0r s PRO 288 CO 0.54 -1.71 1.77 0.35 0.04 0.00 0.00 177.00 177.99 1u0r h PHE 289 N -0.89 0.00 -0.57 0.56 3.57 -1.97 -1.27 116.94 116.37 1u0r h PHE 289 Ca -0.45 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 60.96 1u0r h PHE 289 Cb 1.25 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.96 1u0r h PHE 289 CO 0.55 0.00 -0.01 1.15 -2.23 0.00 0.00 178.31 177.77 1u0r h THR 290 N 0.00 1.27 0.01 4.41 2.02 -2.00 -2.00 112.91 116.62 1u0r h THR 290 Ca 0.26 -1.14 -0.21 0.00 0.77 0.00 0.00 66.41 66.09 1u0r h THR 290 Cb 1.53 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 68.81 1u0r h THR 290 CO -0.00 0.41 -0.92 0.44 0.37 0.00 0.00 175.52 175.82 1u0r h ASP 291 N 0.90 0.36 -0.37 4.18 3.32 -1.58 -1.41 116.42 121.82 1u0r h ASP 291 Ca 0.16 -0.29 -0.00 0.00 0.02 0.00 0.00 57.03 56.92 1u0r h ASP 291 Cb 0.56 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 1u0r h ASP 291 CO 0.03 1.10 0.23 0.03 -1.72 0.00 0.00 179.24 178.91 1u0r h ARG 292 N 0.15 0.50 -0.41 3.56 3.08 -1.41 0.15 114.38 120.00 1u0r h ARG 292 Ca -0.06 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 59.96 1u0r h ARG 292 Cb 1.55 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 31.47 1u0r h ARG 292 CO 0.15 0.36 0.25 1.25 -1.07 0.00 0.00 179.97 180.91 1u0r h LEU 293 N 0.49 0.42 -0.84 3.04 7.12 -1.18 0.12 115.31 124.48 1u0r h LEU 293 Ca 0.13 -0.00 -0.08 0.00 0.13 0.00 0.00 57.88 58.06 1u0r h LEU 293 Cb -0.01 -0.09 -0.02 0.00 -0.53 0.00 0.00 40.66 40.00 1u0r h LEU 293 CO -0.03 0.30 0.03 0.58 -0.13 0.00 0.00 178.44 179.19 1u0r h VAL 294 N 0.51 1.25 0.27 1.05 2.07 -0.91 -2.06 116.25 118.44 1u0r h VAL 294 Ca 0.16 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 1u0r h VAL 294 Cb -0.02 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1u0r h VAL 294 CO -0.06 0.37 -0.13 -0.09 0.02 0.00 0.00 177.57 177.68 1u0r h ARG 295 N 0.84 -0.35 0.00 1.57 2.43 -0.80 0.10 114.38 118.17 1u0r h ARG 295 Ca 0.16 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1u0r h ARG 295 Cb 0.46 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1u0r h ARG 295 CO 0.02 -0.01 0.00 1.17 -1.51 0.00 0.00 179.97 179.64 1u0r n LYS 296 N -5.08 0.04 -0.00 0.20 0.00 0.40 -2.25 118.16 111.46 1u0r n LYS 296 Ca -0.09 0.29 0.00 0.00 0.00 0.00 0.00 58.31 58.51 1u0r n LYS 296 Cb 0.26 -1.57 0.00 0.00 0.00 0.00 0.00 35.03 33.72 1u0r n LYS 296 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1u0r n PHE 297 N -1.64 0.00 -3.72 5.64 0.99 -0.78 -5.01 117.46 112.94 1u0r n PHE 297 Ca 0.03 -0.20 -0.26 0.00 -0.00 0.00 0.00 57.45 57.01 1u0r n PHE 297 Cb 0.17 -0.02 0.01 0.00 -1.00 0.00 0.00 39.48 38.64 1u0r n PHE 297 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 1u0r n ARG 298 N -0.20 -1.21 -2.97 -1.08 5.12 -0.76 -4.90 116.66 110.67 1u0r n ARG 298 Ca 0.00 0.68 -0.40 0.00 -1.93 0.00 0.00 57.85 56.21 1u0r n ARG 298 Cb 0.10 -3.13 -0.05 0.00 -1.16 0.00 0.00 32.46 28.23 1u0r n ARG 298 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1u0r s LEU 299 N -5.55 4.48 0.05 0.55 1.02 0.28 -5.02 118.68 114.49 1u0r s LEU 299 Ca 0.17 1.51 -0.30 0.00 0.02 0.00 0.00 54.13 55.53 1u0r s LEU 299 Cb -0.08 -3.26 -0.08 0.00 0.02 0.00 0.00 46.19 42.79 1u0r s LEU 299 CO 0.88 0.05 1.62 -2.84 0.02 0.00 0.00 176.35 176.09 1u0r s PRO 300 N -0.29 4.21 0.00 1.29 0.02 -1.26 -4.90 135.00 134.06 1u0r s PRO 300 Ca 0.38 2.26 0.00 0.00 0.02 0.00 0.00 61.00 63.67 1u0r s PRO 300 Cb -0.21 -3.64 0.00 0.00 0.02 0.00 0.00 34.50 30.67 1u0r s PRO 300 CO 0.24 -0.72 0.12 1.55 -0.33 0.00 0.00 177.00 177.86 1u0r n VAL 301 N 4.80 0.00 -3.35 3.83 3.14 -1.26 -5.12 118.33 120.37 1u0r n VAL 301 Ca 0.16 -0.20 -0.20 0.00 -2.96 0.00 0.00 64.34 61.13 1u0r n VAL 301 Cb 0.41 1.36 -0.00 0.00 -1.06 0.00 0.00 33.84 34.55 1u0r n VAL 301 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1u0r s THR 302 N -0.16 4.08 0.00 1.55 -4.23 -1.26 -4.53 115.64 111.09 1u0r s THR 302 Ca 0.00 -0.86 0.00 0.00 -1.18 0.00 0.00 61.69 59.65 1u0r s THR 302 Cb 0.00 -3.44 0.00 0.00 1.34 0.00 0.00 72.50 70.40 1u0r s THR 302 CO 0.00 -0.21 0.00 0.61 -0.54 0.00 0.00 174.62 174.48 1u0r n GLY 303 N -1.75 0.59 3.56 3.99 0.00 -1.26 -5.13 105.19 105.19 1u0r n GLY 303 Ca 0.00 -0.39 -0.26 0.00 0.00 0.00 0.00 46.02 45.37 1u0r n GLY 303 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1u0r s TRP 304 N -2.75 2.20 -1.08 1.61 -0.00 -1.26 -5.33 118.94 112.32 1u0r s TRP 304 Ca 0.00 -0.84 0.00 0.00 -0.00 0.00 0.00 56.10 55.26 1u0r s TRP 304 Cb 0.00 -1.53 0.00 0.00 -0.00 0.00 0.00 33.47 31.94 1u0r s TRP 304 CO 0.00 0.21 0.27 -2.13 -0.00 0.00 0.00 176.95 175.30