#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xnt h PRO 2 N 0.00 0.00 -6.10 2.12 0.13 -2.02 -3.45 132.00 122.69 1xnt h PRO 2 Ca 0.00 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.61 1xnt h PRO 2 Cb 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 1xnt h PRO 2 CO 0.00 0.47 -0.37 -1.21 -0.23 0.00 0.00 178.00 176.67 1xnt s GLU 3 N -2.93 2.41 -0.05 0.86 2.02 -1.26 -1.80 118.70 117.95 1xnt s GLU 3 Ca 0.01 -1.70 -0.02 0.00 0.02 0.00 0.00 54.97 53.29 1xnt s GLU 3 Cb 0.08 -2.26 0.04 0.00 0.10 0.00 0.00 34.13 32.08 1xnt s GLU 3 CO 0.77 -0.31 0.11 0.42 0.02 0.00 0.00 175.26 176.27 1xnt s ILE 4 N -2.57 -0.08 0.45 -1.63 1.01 -0.67 -4.49 121.20 113.22 1xnt s ILE 4 Ca 0.44 0.23 0.07 0.00 0.00 0.00 0.00 60.65 61.40 1xnt s ILE 4 Cb -0.02 -0.19 -0.02 0.00 0.01 0.00 0.00 42.46 42.24 1xnt s ILE 4 CO 0.26 0.10 0.32 -0.60 0.00 0.00 0.00 174.94 175.01 1xnt s ARG 5 N 1.36 2.36 -0.16 2.79 6.06 -1.26 -3.37 118.95 126.73 1xnt s ARG 5 Ca -0.06 -1.77 -0.08 0.00 -2.50 0.00 0.00 55.73 51.31 1xnt s ARG 5 Cb -0.12 -2.17 -0.04 0.00 0.06 0.00 0.00 34.95 32.68 1xnt s ARG 5 CO -0.05 -0.28 0.13 -1.17 -2.50 0.00 0.00 175.30 171.44 1xnt s LEU 6 N -4.09 4.28 -0.11 -0.88 1.98 -1.26 -3.54 118.68 115.05 1xnt s LEU 6 Ca 0.42 0.34 -0.07 0.00 -2.89 0.00 0.00 54.13 51.93 1xnt s LEU 6 Cb -0.01 -2.07 -0.02 0.00 0.66 0.00 0.00 46.19 44.75 1xnt s LEU 6 CO 0.24 0.29 -0.13 -0.09 -1.89 0.00 0.00 176.35 174.78 1xnt h ARG 7 N 5.85 0.00 -2.91 1.98 9.65 -0.37 -3.45 114.38 125.13 1xnt h ARG 7 Ca -0.48 0.00 0.03 0.00 -1.10 0.00 0.00 59.98 58.43 1xnt h ARG 7 Cb 1.19 0.00 -0.10 0.00 -1.39 0.00 0.00 29.97 29.67 1xnt h ARG 7 CO 0.67 0.00 0.25 -3.38 2.80 0.00 0.00 179.97 180.31 1xnt s HIS 8 N -1.96 -0.40 -1.02 2.20 -3.43 -1.18 -4.98 115.29 104.52 1xnt s HIS 8 Ca -0.10 0.11 -0.23 0.00 -0.80 0.00 0.00 55.06 54.04 1xnt s HIS 8 Cb 0.01 0.61 0.04 0.00 -1.43 0.00 0.00 32.58 31.82 1xnt s HIS 8 CO 0.16 -0.95 1.49 0.54 -2.00 0.00 0.00 174.74 173.98 1xnt s VAL 9 N -3.73 3.90 0.13 -5.38 0.11 -1.26 0.37 120.40 114.53 1xnt s VAL 9 Ca 0.05 -0.76 -0.28 0.00 -2.93 0.00 0.00 61.98 58.07 1xnt s VAL 9 Cb -0.03 -5.00 -0.05 0.00 -1.53 0.00 0.00 36.38 29.77 1xnt s VAL 9 CO -0.06 -1.88 1.61 1.62 -3.33 0.00 0.00 175.10 173.06 1xnt h VAL 10 N 6.80 0.27 -2.52 2.04 3.04 -1.61 -3.44 116.25 120.84 1xnt h VAL 10 Ca 0.20 0.00 -0.53 0.00 -1.01 0.00 0.00 66.70 65.36 1xnt h VAL 10 Cb 1.01 0.27 -0.14 0.00 -2.01 0.00 0.00 31.29 30.42 1xnt h VAL 10 CO 1.42 0.00 -0.73 -0.44 -1.01 0.00 0.00 177.57 176.81 1xnt s SER 11 N -4.85 3.07 -0.13 3.17 0.01 -0.50 -5.00 113.70 109.48 1xnt s SER 11 Ca -0.16 -1.06 -0.20 0.00 1.31 0.00 0.00 55.95 55.84 1xnt s SER 11 Cb 0.09 -0.22 0.05 0.00 0.21 0.00 0.00 66.02 66.15 1xnt s SER 11 CO 0.65 -0.12 0.51 0.00 0.41 0.00 0.00 173.24 174.69 1xnt n SER 13 N 2.09 1.30 0.00 0.00 2.88 0.19 -4.92 113.62 115.16 1xnt n SER 13 Ca -0.16 -2.48 0.00 0.00 -1.33 0.00 0.00 58.87 54.90 1xnt n SER 13 Cb 0.56 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 1xnt n SER 13 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1xnt n SER 14 N -0.28 0.00 -3.68 -3.46 7.64 -1.15 -1.93 113.62 110.77 1xnt n SER 14 Ca 0.07 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.82 1xnt n SER 14 Cb 0.82 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.93 1xnt n SER 14 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xnt s GLN 15 N 0.00 0.66 0.00 1.43 1.03 -1.26 -4.15 119.66 117.37 1xnt s GLN 15 Ca 0.00 0.78 0.00 0.00 0.04 0.00 0.00 55.36 56.18 1xnt s GLN 15 Cb 0.00 0.32 0.00 0.00 0.03 0.00 0.00 33.01 33.36 1xnt s GLN 15 CO 0.00 -0.08 0.00 -3.47 -2.54 0.00 0.00 175.29 169.20 1xnt n ASP 16 N 2.78 0.00 -0.02 12.60 -0.08 -1.03 -3.54 116.55 127.27 1xnt n ASP 16 Ca -0.14 -0.18 -0.01 0.00 -1.51 0.00 0.00 54.79 52.95 1xnt n ASP 16 Cb 0.56 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 44.02 1xnt n ASP 16 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1xnt n SER 17 N -0.54 0.36 0.19 1.67 2.88 -1.26 -4.04 113.62 112.89 1xnt n SER 17 Ca 0.00 0.24 -0.08 0.00 -1.33 0.00 0.00 58.87 57.70 1xnt n SER 17 Cb 0.00 -0.56 -0.04 0.00 -0.75 0.00 0.00 64.21 62.86 1xnt n SER 17 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1xnt h THR 18 N -0.20 0.00 -0.48 2.46 1.35 -2.01 -3.24 112.91 110.79 1xnt h THR 18 Ca 0.00 -0.21 -0.65 0.00 -0.55 0.00 0.00 66.41 65.00 1xnt h THR 18 Cb 0.13 0.00 -0.04 0.00 -1.73 0.00 0.00 68.15 66.51 1xnt h THR 18 CO 0.00 0.00 2.83 1.41 -0.25 0.00 0.00 175.52 179.51 1xnt n HIS 19 N -3.98 2.26 -1.91 4.73 8.25 -1.26 -4.82 115.22 118.48 1xnt n HIS 19 Ca -0.06 -2.81 -0.30 0.00 -0.26 0.00 0.00 57.72 54.28 1xnt n HIS 19 Cb 0.20 -2.13 0.20 0.00 1.12 0.00 0.00 29.99 29.39 1xnt n HIS 19 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xnt h ALA 21 N -1.76 1.33 0.00 0.00 0.00 -1.85 -1.35 119.26 115.63 1xnt h ALA 21 Ca -0.44 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1xnt h ALA 21 Cb 1.22 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1xnt h ALA 21 CO 0.34 0.18 0.00 1.49 0.00 0.00 0.00 179.25 181.26 1xnt h GLU 22 N 0.00 0.00 0.00 0.00 4.81 -1.94 -1.12 114.58 116.33 1xnt h GLU 22 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1xnt h GLU 22 Cb 0.36 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.74 1xnt h GLU 22 CO 0.02 0.00 0.00 -0.91 -0.73 0.00 0.00 179.01 177.39 1xnt h ASN 23 N 0.00 0.00 0.37 1.04 -0.26 -1.54 -0.95 115.58 114.24 1xnt h ASN 23 Ca 0.00 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.72 1xnt h ASN 23 Cb 0.15 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.41 1xnt h ASN 23 CO 0.00 0.00 -0.10 -0.07 -1.06 0.00 0.00 177.43 176.20 1xnt h LEU 24 N 0.00 0.00 -2.22 1.61 3.38 -1.40 -1.22 115.31 115.46 1xnt h LEU 24 Ca 0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 1xnt h LEU 24 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1xnt h LEU 24 CO 0.00 0.10 0.25 -0.07 0.09 0.00 0.00 178.44 178.81 1xnt h LEU 25 N 0.00 0.00 -5.92 1.67 -0.00 -1.37 -2.11 115.31 107.59 1xnt h LEU 25 Ca -0.00 0.00 -0.72 0.00 -0.00 0.00 0.00 57.88 57.16 1xnt h LEU 25 Cb 0.32 0.00 -0.33 0.00 -0.00 0.00 0.00 40.66 40.64 1xnt h LEU 25 CO 0.01 0.00 0.34 0.29 -0.00 0.00 0.00 178.44 179.08 1xnt n LYS 26 N -3.54 4.48 0.23 1.13 4.76 -0.46 -4.80 118.16 119.96 1xnt n LYS 26 Ca 0.01 -4.74 0.14 0.00 -2.87 0.00 0.00 58.31 50.85 1xnt n LYS 26 Cb 0.36 -2.38 0.77 0.00 -1.84 0.00 0.00 35.03 31.95 1xnt n LYS 26 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xnt h ALA 27 N 3.80 1.87 -1.84 7.82 0.00 -1.57 -2.97 119.26 126.37 1xnt h ALA 27 Ca 0.36 -0.00 -0.72 0.00 0.00 0.00 0.00 54.91 54.54 1xnt h ALA 27 Cb 0.41 0.01 -0.33 0.00 0.00 0.00 0.00 17.79 17.88 1xnt h ALA 27 CO 1.04 -0.14 0.30 -3.47 0.00 0.00 0.00 179.25 176.98 1xnt n ASP 28 N -4.14 5.81 0.00 0.00 -0.08 -1.26 -4.80 116.55 112.08 1xnt n ASP 28 Ca -0.00 -3.57 0.00 0.00 -1.51 0.00 0.00 54.79 49.71 1xnt n ASP 28 Cb 0.20 -0.97 0.00 0.00 2.34 0.00 0.00 41.12 42.69 1xnt n ASP 28 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1xnt n THR 29 N 0.46 0.00 -1.91 5.18 -2.24 -1.12 -5.08 114.28 109.57 1xnt n THR 29 Ca 0.34 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 62.12 1xnt n THR 29 Cb 0.34 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 1xnt n THR 29 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xnt n TYR 30 N 0.00 -0.07 -4.34 4.78 4.11 -1.26 -5.15 117.16 115.22 1xnt n TYR 30 Ca 0.00 -0.09 -0.21 0.00 -0.00 0.00 0.00 57.90 57.60 1xnt n TYR 30 Cb 0.00 0.41 -0.13 0.00 -0.00 0.00 0.00 39.34 39.63 1xnt n TYR 30 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 1xnt s ARG 31 N 0.00 1.01 0.36 -3.48 1.81 -1.26 -5.16 118.95 112.24 1xnt s ARG 31 Ca 0.00 -0.91 0.04 0.00 -1.72 0.00 0.00 55.73 53.14 1xnt s ARG 31 Cb 0.02 -1.08 -0.03 0.00 -0.45 0.00 0.00 34.95 33.40 1xnt s ARG 31 CO -0.00 0.26 0.14 0.15 -0.68 0.00 0.00 175.30 175.17 1xnt s LYS 32 N -1.44 1.78 0.08 3.54 1.02 -1.26 -4.71 119.74 118.74 1xnt s LYS 32 Ca 0.02 -2.05 -0.20 0.00 0.02 0.00 0.00 55.97 53.76 1xnt s LYS 32 Cb -0.09 -0.39 -0.07 0.00 -0.52 0.00 0.00 37.83 36.76 1xnt s LYS 32 CO 0.02 -0.45 0.60 -0.46 -0.92 0.00 0.00 175.35 174.14 1xnt s TRP 33 N -3.37 3.81 -0.08 3.18 -0.00 -0.50 -4.65 118.94 117.32 1xnt s TRP 33 Ca 0.30 1.32 -0.04 0.00 -0.00 0.00 0.00 56.10 57.68 1xnt s TRP 33 Cb 0.04 -2.55 0.04 0.00 -0.00 0.00 0.00 33.47 31.00 1xnt s TRP 33 CO 0.17 0.55 0.18 1.03 -0.00 0.00 0.00 176.95 178.88 1xnt s ARG 34 N -1.02 0.14 0.49 5.86 0.52 -1.24 -3.17 118.95 120.53 1xnt s ARG 34 Ca 0.30 0.42 -0.22 0.00 -0.52 0.00 0.00 55.73 55.72 1xnt s ARG 34 Cb -0.20 -0.15 -0.09 0.00 0.52 0.00 0.00 34.95 35.03 1xnt s ARG 34 CO 0.20 -0.16 0.86 0.00 0.02 0.00 0.00 175.30 176.22 1xnt n ALA 35 N 4.16 -0.24 0.30 2.13 0.00 -0.45 -2.45 120.51 123.97 1xnt n ALA 35 Ca -0.25 0.12 0.19 0.00 0.00 0.00 0.00 53.44 53.50 1xnt n ALA 35 Cb 0.52 -2.01 1.02 0.00 0.00 0.00 0.00 19.45 18.98 1xnt n ALA 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xnt h ALA 36 N 0.97 1.32 -2.68 0.00 0.00 -1.72 -3.36 119.26 113.80 1xnt h ALA 36 Ca -0.45 -0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.06 1xnt h ALA 36 Cb 1.36 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 19.02 1xnt h ALA 36 CO 0.53 -0.12 -0.54 -1.59 0.00 0.00 0.00 179.25 177.53 1xnt s LYS 37 N -4.33 1.56 0.00 0.00 0.00 -1.26 -4.66 119.74 111.05 1xnt s LYS 37 Ca -0.05 -1.89 0.00 0.00 0.00 0.00 0.00 55.97 54.04 1xnt s LYS 37 Cb 0.13 0.21 0.00 0.00 0.00 0.00 0.00 37.83 38.17 1xnt s LYS 37 CO 0.44 -0.53 0.00 0.00 0.00 0.00 0.00 175.35 175.26 1xnt n ALA 38 N -0.52 0.00 -3.02 0.59 0.00 -1.26 -4.36 120.51 111.94 1xnt n ALA 38 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.36 1xnt n ALA 38 Cb 0.64 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.14 1xnt n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xnt n GLY 39 N 5.00 0.02 3.52 0.00 0.00 -1.21 -4.76 105.19 107.76 1xnt n GLY 39 Ca 0.00 -0.13 -0.18 0.00 0.00 0.00 0.00 46.02 45.71 1xnt n GLY 39 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xnt n GLU 40 N -3.04 0.23 -0.09 1.61 4.71 -1.25 -4.65 120.64 118.14 1xnt n GLU 40 Ca -0.07 -0.37 -0.11 0.00 -0.01 0.00 0.00 57.16 56.60 1xnt n GLU 40 Cb 0.56 -2.13 -0.04 0.00 -1.01 0.00 0.00 31.44 28.83 1xnt n GLU 40 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1xnt n LYS 41 N 6.84 0.52 -3.59 3.49 4.81 -1.26 -3.09 118.16 125.89 1xnt n LYS 41 Ca 0.58 0.29 -0.04 0.00 -0.87 0.00 0.00 58.31 58.27 1xnt n LYS 41 Cb 0.27 -1.50 -0.06 0.00 0.02 0.00 0.00 35.03 33.76 1xnt n LYS 41 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1xnt s THR 42 N -2.71 -0.83 0.07 3.15 -4.23 -1.26 -1.89 115.64 107.93 1xnt s THR 42 Ca -0.28 0.06 0.08 0.00 -1.18 0.00 0.00 61.69 60.37 1xnt s THR 42 Cb 0.05 -0.85 -0.04 0.00 1.34 0.00 0.00 72.50 73.00 1xnt s THR 42 CO 0.40 0.02 -0.18 0.27 -0.54 0.00 0.00 174.62 174.60 1xnt s ILE 43 N 2.76 2.84 0.09 2.99 -4.36 -0.09 -4.97 121.20 120.47 1xnt s ILE 43 Ca -0.01 -1.31 0.07 0.00 -0.26 0.00 0.00 60.65 59.15 1xnt s ILE 43 Cb -0.13 -2.25 -0.03 0.00 1.25 0.00 0.00 42.46 41.31 1xnt s ILE 43 CO -0.16 0.24 -0.19 -0.44 0.24 0.00 0.00 174.94 174.62 1xnt s SER 44 N -1.74 2.26 -0.27 4.36 0.01 -0.81 0.53 113.70 118.03 1xnt s SER 44 Ca 0.16 -0.65 -0.01 0.00 1.31 0.00 0.00 55.95 56.77 1xnt s SER 44 Cb -0.11 -0.12 0.16 0.00 0.21 0.00 0.00 66.02 66.17 1xnt s SER 44 CO 0.08 0.03 0.46 0.54 0.41 0.00 0.00 173.24 174.75 1xnt s VAL 45 N -1.16 -0.75 -0.25 3.43 0.11 0.18 0.57 120.40 122.54 1xnt s VAL 45 Ca 0.04 -0.08 -0.19 0.00 -2.93 0.00 0.00 61.98 58.81 1xnt s VAL 45 Cb -0.10 -0.91 -0.02 0.00 -1.53 0.00 0.00 36.38 33.82 1xnt s VAL 45 CO 0.03 -0.11 0.57 -0.69 -3.33 0.00 0.00 175.10 171.58 1xnt s VAL 46 N 2.65 5.03 0.30 2.04 1.01 0.93 -1.16 120.40 131.20 1xnt s VAL 46 Ca 0.14 1.02 0.06 0.00 0.00 0.00 0.00 61.98 63.20 1xnt s VAL 46 Cb -0.14 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 1xnt s VAL 46 CO -0.20 0.07 0.43 -0.76 0.00 0.00 0.00 175.10 174.64 1xnt s LEU 47 N 2.29 4.10 -0.22 3.92 1.02 0.71 -1.40 118.68 129.10 1xnt s LEU 47 Ca 0.24 -0.10 -0.01 0.00 0.02 0.00 0.00 54.13 54.29 1xnt s LEU 47 Cb -0.16 -2.78 0.02 0.00 0.02 0.00 0.00 46.19 43.29 1xnt s LEU 47 CO 0.09 -0.30 -0.11 -1.58 0.02 0.00 0.00 176.35 174.47 1xnt s GLN 48 N -4.10 2.97 0.38 1.70 2.00 0.16 -1.40 119.66 121.37 1xnt s GLN 48 Ca 0.41 -0.87 -0.26 0.00 -2.00 0.00 0.00 55.36 52.64 1xnt s GLN 48 Cb -0.09 -2.83 -0.09 0.00 0.80 0.00 0.00 33.01 30.80 1xnt s GLN 48 CO 0.30 -0.30 1.16 -0.51 -0.50 0.00 0.00 175.29 175.44 1xnt s LEU 49 N 1.33 4.24 -0.01 3.68 1.43 0.28 0.35 118.68 129.99 1xnt s LEU 49 Ca 0.03 2.33 -0.00 0.00 -1.03 0.00 0.00 54.13 55.45 1xnt s LEU 49 Cb -0.15 -3.97 0.00 0.00 0.03 0.00 0.00 46.19 42.10 1xnt s LEU 49 CO -0.07 -0.59 1.72 -1.84 0.23 0.00 0.00 176.35 175.79 1xnt n GLU 50 N 0.22 1.01 0.00 1.70 0.28 -1.23 -4.66 120.64 117.96 1xnt n GLU 50 Ca 0.04 -0.03 0.00 0.00 -0.16 0.00 0.00 57.16 57.01 1xnt n GLU 50 Cb 0.46 -1.01 0.00 0.00 1.43 0.00 0.00 31.44 32.32 1xnt n GLU 50 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 1xnt n LYS 51 N 1.20 0.00 -2.44 3.44 2.85 -1.26 -5.03 118.16 116.92 1xnt n LYS 51 Ca 0.01 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.84 1xnt n LYS 51 Cb 0.50 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.86 1xnt n LYS 51 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 1xnt s GLU 52 N -0.77 3.51 0.32 -1.58 2.12 -1.26 -4.59 118.70 116.45 1xnt s GLU 52 Ca 0.00 0.64 0.05 0.00 0.36 0.00 0.00 54.97 56.02 1xnt s GLU 52 Cb 0.00 -4.03 -0.03 0.00 0.26 0.00 0.00 34.13 30.33 1xnt s GLU 52 CO 0.00 -1.66 0.21 -1.83 -0.54 0.00 0.00 175.26 171.44 1xnt s GLU 53 N 5.02 1.67 0.85 4.30 4.04 -0.08 -4.69 118.70 129.81 1xnt s GLU 53 Ca 0.54 -1.97 -0.07 0.00 0.04 0.00 0.00 54.97 53.51 1xnt s GLU 53 Cb -0.11 0.09 0.18 0.00 0.02 0.00 0.00 34.13 34.31 1xnt s GLU 53 CO 0.30 -0.55 1.16 -0.65 -1.84 0.00 0.00 175.26 173.68 1xnt s GLN 54 N -3.66 1.03 -0.02 -4.83 -0.21 -1.26 0.27 119.66 110.98 1xnt s GLN 54 Ca 0.37 -0.95 -0.00 0.00 0.02 0.00 0.00 55.36 54.79 1xnt s GLN 54 Cb 0.04 -2.12 0.02 0.00 1.00 0.00 0.00 33.01 31.95 1xnt s GLN 54 CO 0.21 -2.00 0.04 0.42 -2.12 0.00 0.00 175.29 171.84 1xnt s ILE 55 N -3.51 -0.04 0.00 1.08 1.09 -0.32 -4.53 121.20 114.98 1xnt s ILE 55 Ca 0.72 0.15 0.00 0.00 -1.10 0.00 0.00 60.65 60.42 1xnt s ILE 55 Cb -0.03 -0.08 0.00 0.00 -1.06 0.00 0.00 42.46 41.29 1xnt s ILE 55 CO 0.49 0.06 0.00 1.57 -0.10 0.00 0.00 174.94 176.96 1xnt n HIS 56 N 3.85 0.00 -4.03 3.97 -0.00 -1.07 -4.50 115.22 113.44 1xnt n HIS 56 Ca -0.23 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 57.86 1xnt n HIS 56 Cb 0.53 0.00 -0.09 0.00 -0.12 0.00 0.00 29.99 30.32 1xnt n HIS 56 CO 0.00 0.00 0.00 -1.12 0.46 0.00 0.00 176.34 175.68 1xnt s SER 57 N -3.25 0.23 0.16 0.26 0.01 -0.23 -2.17 113.70 108.72 1xnt s SER 57 Ca 0.00 -0.97 -0.05 0.00 1.31 0.00 0.00 55.95 56.25 1xnt s SER 57 Cb 0.00 0.32 -0.03 0.00 0.21 0.00 0.00 66.02 66.53 1xnt s SER 57 CO 0.00 -0.75 0.17 -0.69 0.41 0.00 0.00 173.24 172.38 1xnt s VAL 58 N -3.97 0.07 -0.27 3.43 1.01 -0.30 -1.43 120.40 118.95 1xnt s VAL 58 Ca 0.15 -1.71 -0.03 0.00 0.00 0.00 0.00 61.98 60.39 1xnt s VAL 58 Cb 0.06 -2.04 0.09 0.00 0.00 0.00 0.00 36.38 34.49 1xnt s VAL 58 CO -0.03 -0.31 0.11 -0.62 0.00 0.00 0.00 175.10 174.24 1xnt s ASP 59 N -3.03 3.46 -0.22 3.32 -1.08 0.15 0.27 116.67 119.53 1xnt s ASP 59 Ca 0.24 -1.25 -0.02 0.00 -0.52 0.00 0.00 52.55 51.00 1xnt s ASP 59 Cb 0.05 -0.48 0.01 0.00 -1.46 0.00 0.00 42.92 41.05 1xnt s ASP 59 CO 0.03 -0.41 -0.09 -0.63 0.52 0.00 0.00 175.17 174.59 1xnt s ILE 60 N 1.97 2.86 -0.36 4.11 -1.09 -0.17 0.65 121.20 129.17 1xnt s ILE 60 Ca 0.07 -0.82 -0.25 0.00 -2.23 0.00 0.00 60.65 57.43 1xnt s ILE 60 Cb -0.16 -2.35 0.01 0.00 -1.58 0.00 0.00 42.46 38.38 1xnt s ILE 60 CO -0.28 0.36 0.87 -0.83 -1.23 0.00 0.00 174.94 173.82 1xnt s GLY 61 N 1.37 1.61 -0.01 6.18 0.00 -0.57 -1.22 107.32 114.68 1xnt s GLY 61 Ca 0.03 -0.52 -0.30 0.00 0.00 0.00 0.00 44.72 43.93 1xnt s GLY 61 CO -0.06 1.91 1.15 0.21 0.00 0.00 0.00 173.10 176.31 1xnt s ASN 62 N 1.86 7.13 -0.56 1.64 2.47 -0.30 0.22 114.94 127.40 1xnt s ASN 62 Ca 0.36 1.84 0.07 0.00 0.42 0.00 0.00 52.86 55.54 1xnt s ASN 62 Cb -0.12 -2.57 0.28 0.00 -1.45 0.00 0.00 41.25 37.38 1xnt s ASN 62 CO 0.18 -0.48 0.74 0.47 -3.72 0.00 0.00 177.10 174.29 1xnt n ASP 63 N 4.51 2.98 0.00 -4.21 9.92 -0.48 0.11 116.55 129.40 1xnt n ASP 63 Ca 0.09 -3.31 0.00 0.00 -0.53 0.00 0.00 54.79 51.04 1xnt n ASP 63 Cb 0.47 -0.64 0.00 0.00 -0.64 0.00 0.00 41.12 40.31 1xnt n ASP 63 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1xnt n GLY 64 N 0.69 2.96 0.92 0.44 0.00 0.13 -3.60 105.19 106.72 1xnt n GLY 64 Ca 0.28 -0.01 -0.08 0.00 0.00 0.00 0.00 46.02 46.21 1xnt n GLY 64 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xnt n SER 65 N 0.09 -2.48 0.06 1.61 3.41 -1.18 -4.74 113.62 110.39 1xnt n SER 65 Ca 0.00 -0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.37 1xnt n SER 65 Cb 0.00 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 1xnt n SER 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xnt n ALA 66 N -3.59 0.75 -2.63 7.33 0.00 -1.26 -4.23 120.51 116.87 1xnt n ALA 66 Ca -0.05 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.02 1xnt n ALA 66 Cb 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.51 1xnt n ALA 66 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1xnt s PHE 67 N -2.00 3.28 -0.21 0.00 0.08 -0.01 -0.25 117.98 118.87 1xnt s PHE 67 Ca 0.00 0.19 -0.00 0.00 0.12 0.00 0.00 56.93 57.24 1xnt s PHE 67 Cb 0.00 -2.31 0.05 0.00 -0.57 0.00 0.00 43.02 40.19 1xnt s PHE 67 CO 0.00 -0.02 -0.04 0.08 -0.10 0.00 0.00 175.22 175.14 1xnt s VAL 68 N 1.33 1.28 -0.03 -0.44 1.01 -0.30 0.71 120.40 123.95 1xnt s VAL 68 Ca 0.07 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 61.07 1xnt s VAL 68 Cb -0.14 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 1xnt s VAL 68 CO 0.07 -0.04 0.11 -0.70 0.00 0.00 0.00 175.10 174.54 1xnt s GLU 69 N 1.52 3.21 -0.07 2.72 2.12 -0.07 0.34 118.70 128.48 1xnt s GLU 69 Ca -0.03 -0.38 -0.00 0.00 0.36 0.00 0.00 54.97 54.92 1xnt s GLU 69 Cb -0.18 -2.97 0.02 0.00 0.26 0.00 0.00 34.13 31.27 1xnt s GLU 69 CO -0.07 0.68 -0.04 0.08 -0.54 0.00 0.00 175.26 175.37 1xnt s VAL 70 N -1.18 0.63 0.24 3.70 1.01 -0.62 -1.20 120.40 122.98 1xnt s VAL 70 Ca 0.22 -0.09 0.09 0.00 0.00 0.00 0.00 61.98 62.20 1xnt s VAL 70 Cb -0.12 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 1xnt s VAL 70 CO 0.13 0.28 0.03 -0.76 0.00 0.00 0.00 175.10 174.77 1xnt s LEU 71 N 1.49 3.31 0.25 3.92 1.02 -0.31 -1.70 118.68 126.66 1xnt s LEU 71 Ca -0.01 -0.53 0.11 0.00 0.02 0.00 0.00 54.13 53.72 1xnt s LEU 71 Cb -0.13 -1.86 -0.05 0.00 0.02 0.00 0.00 46.19 44.17 1xnt s LEU 71 CO -0.04 0.01 -0.21 0.68 0.02 0.00 0.00 176.35 176.82 1xnt s VAL 72 N -2.16 2.37 0.00 -1.59 -7.23 -0.44 -1.48 120.40 109.86 1xnt s VAL 72 Ca 0.31 -2.28 0.00 0.00 -1.81 0.00 0.00 61.98 58.20 1xnt s VAL 72 Cb -0.07 -2.22 0.00 0.00 0.56 0.00 0.00 36.38 34.65 1xnt s VAL 72 CO 0.20 -0.34 0.00 0.61 -0.31 0.00 0.00 175.10 175.27 1xnt n GLY 73 N -0.34 -0.21 3.57 2.32 0.00 -0.93 -0.51 105.19 109.09 1xnt n GLY 73 Ca -0.07 -0.93 -0.24 0.00 0.00 0.00 0.00 46.02 44.78 1xnt n GLY 73 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xnt s SER 74 N 0.00 4.16 0.00 1.61 0.15 -1.26 -0.58 113.70 117.78 1xnt s SER 74 Ca 0.00 -0.79 0.24 0.00 0.70 0.00 0.00 55.95 56.10 1xnt s SER 74 Cb 0.00 -0.63 1.21 0.00 -1.71 0.00 0.00 66.02 64.90 1xnt s SER 74 CO 0.00 0.02 1.78 -1.54 1.20 0.00 0.00 173.24 174.70 1xnt n SER 75 N -0.73 0.00 0.00 5.45 3.41 -1.26 -4.03 113.62 116.45 1xnt n SER 75 Ca -0.06 -0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 1xnt n SER 75 Cb 0.59 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 1xnt n SER 75 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xnt n ALA 76 N -1.26 -0.35 -0.03 7.33 0.00 -1.26 -4.20 120.51 120.75 1xnt n ALA 76 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1xnt n ALA 76 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.63 1xnt n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xnt n GLY 77 N -0.63 -2.55 2.42 0.00 0.00 -1.26 -4.85 105.19 98.32 1xnt n GLY 77 Ca 0.00 0.08 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 1xnt n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xnt n GLY 78 N -0.99 -0.31 0.29 -0.02 0.00 -1.26 -4.85 105.19 98.06 1xnt n GLY 78 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 1xnt n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xnt h ALA 79 N 0.93 1.54 0.00 4.61 0.00 -1.93 -3.48 119.26 120.92 1xnt h ALA 79 Ca -0.49 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1xnt h ALA 79 Cb 1.36 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1xnt h ALA 79 CO 0.58 0.36 0.00 0.41 0.00 0.00 0.00 179.25 180.60 1xnt n GLY 80 N -1.20 -0.64 2.07 0.00 0.00 -1.26 -4.96 105.19 99.21 1xnt n GLY 80 Ca 0.03 -0.55 -0.18 0.00 0.00 0.00 0.00 46.02 45.31 1xnt n GLY 80 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xnt n GLU 81 N 0.00 2.43 -0.28 1.61 1.02 -1.26 -4.09 120.64 120.07 1xnt n GLU 81 Ca 0.00 -2.75 0.01 0.00 -0.02 0.00 0.00 57.16 54.40 1xnt n GLU 81 Cb 0.00 -2.09 0.01 0.00 -0.02 0.00 0.00 31.44 29.35 1xnt n GLU 81 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1xnt n GLN 82 N -0.81 0.31 -0.79 3.49 1.13 -1.26 -4.80 117.38 114.65 1xnt n GLN 82 Ca 0.51 -1.05 -0.04 0.00 -1.94 0.00 0.00 57.00 54.48 1xnt n GLN 82 Cb 1.52 -0.63 0.20 0.00 0.11 0.00 0.00 30.24 31.43 1xnt n GLN 82 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1xnt n ASP 83 N -0.18 2.58 -3.50 1.08 2.03 -1.26 -5.00 116.55 112.31 1xnt n ASP 83 Ca 0.02 -3.72 -0.14 0.00 0.52 0.00 0.00 54.79 51.47 1xnt n ASP 83 Cb 0.61 -0.63 0.00 0.00 -0.72 0.00 0.00 41.12 40.38 1xnt n ASP 83 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1xnt n TYR 84 N -1.08 -1.09 -4.60 -0.67 4.02 -1.26 -4.82 117.16 107.66 1xnt n TYR 84 Ca 0.33 -1.22 -0.25 0.00 -0.01 0.00 0.00 57.90 56.75 1xnt n TYR 84 Cb 1.03 -0.24 -0.17 0.00 -0.02 0.00 0.00 39.34 39.95 1xnt n TYR 84 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 1xnt s GLU 85 N -3.20 1.74 -0.86 -0.72 2.56 0.33 -4.91 118.70 113.65 1xnt s GLU 85 Ca 0.17 -0.43 -0.26 0.00 0.00 0.00 0.00 54.97 54.46 1xnt s GLU 85 Cb -0.01 -1.43 -0.17 0.00 2.00 0.00 0.00 34.13 34.51 1xnt s GLU 85 CO 0.11 0.03 2.33 0.28 -0.56 0.00 0.00 175.26 177.45 1xnt n VAL 86 N 3.81 0.00 0.50 3.70 0.31 -1.26 -1.32 118.33 124.07 1xnt n VAL 86 Ca -0.23 -0.38 -0.20 0.00 -0.01 0.00 0.00 64.34 63.52 1xnt n VAL 86 Cb 0.52 -1.93 -0.10 0.00 -0.91 0.00 0.00 33.84 31.42 1xnt n VAL 86 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1xnt h LEU 87 N 22.30 -1.07 -7.50 7.52 5.85 -1.82 -3.42 115.31 137.16 1xnt h LEU 87 Ca 0.00 0.04 -0.39 0.00 0.84 0.00 0.00 57.88 58.37 1xnt h LEU 87 Cb 1.00 0.28 -0.37 0.00 0.37 0.00 0.00 40.66 41.95 1xnt h LEU 87 CO 1.02 -0.77 -0.75 -1.48 -0.34 0.00 0.00 178.44 176.12 1xnt s LEU 88 N -10.01 0.74 0.00 2.25 0.05 -0.69 -1.28 118.68 109.75 1xnt s LEU 88 Ca -0.19 -0.03 -0.13 0.00 0.05 0.00 0.00 54.13 53.82 1xnt s LEU 88 Cb 0.02 -0.30 0.20 0.00 -2.05 0.00 0.00 46.19 44.07 1xnt s LEU 88 CO 0.60 -0.16 0.46 1.33 -0.55 0.00 0.00 176.35 178.03 1xnt n VAL 89 N 4.76 0.00 -2.12 1.48 0.24 -1.26 -1.59 118.33 119.84 1xnt n VAL 89 Ca -0.14 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.74 1xnt n VAL 89 Cb 0.50 -0.52 -0.03 0.00 -1.47 0.00 0.00 33.84 32.32 1xnt n VAL 89 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1xnt s THR 90 N -1.69 3.01 -0.27 3.34 -1.32 -1.26 -4.19 115.64 113.26 1xnt s THR 90 Ca 0.36 0.80 -0.11 0.00 -1.21 0.00 0.00 61.69 61.53 1xnt s THR 90 Cb -0.06 -3.51 -0.05 0.00 -1.51 0.00 0.00 72.50 67.37 1xnt s THR 90 CO 0.30 0.11 0.20 -0.94 -2.21 0.00 0.00 174.62 172.08 1xnt s SER 91 N 0.57 6.06 -0.17 8.08 1.04 0.15 -4.66 113.70 124.78 1xnt s SER 91 Ca 0.60 0.04 -0.24 0.00 0.48 0.00 0.00 55.95 56.84 1xnt s SER 91 Cb -0.39 -2.13 -0.02 0.00 0.10 0.00 0.00 66.02 63.59 1xnt s SER 91 CO 0.37 -0.04 0.75 -0.55 0.98 0.00 0.00 173.24 174.76 1xnt s SER 92 N 1.62 6.87 -0.02 7.02 0.15 -1.23 -1.15 113.70 126.96 1xnt s SER 92 Ca 0.08 1.06 -0.01 0.00 0.70 0.00 0.00 55.95 57.79 1xnt s SER 92 Cb -0.16 -2.42 -0.01 0.00 -1.71 0.00 0.00 66.02 61.73 1xnt s SER 92 CO 0.10 -0.33 -0.02 0.49 1.20 0.00 0.00 173.24 174.67 1xnt n PHE 93 N 5.04 0.00 -4.34 3.44 3.72 0.66 -4.97 117.46 121.00 1xnt n PHE 93 Ca 0.02 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.27 1xnt n PHE 93 Cb 0.49 -0.07 -0.03 0.00 -0.94 0.00 0.00 39.48 38.93 1xnt n PHE 93 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 1xnt n MET 94 N -2.94 1.28 -4.46 -1.08 2.81 -1.26 -5.05 117.12 106.42 1xnt n MET 94 Ca -0.03 -1.77 -0.29 0.00 -1.81 0.00 0.00 57.70 53.79 1xnt n MET 94 Cb 0.53 0.57 -0.07 0.00 -0.71 0.00 0.00 33.22 33.53 1xnt n MET 94 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1xnt s SER 95 N -2.33 4.21 -0.01 7.83 1.04 -1.26 -4.74 113.70 118.44 1xnt s SER 95 Ca 0.02 -1.41 0.05 0.00 0.48 0.00 0.00 55.95 55.09 1xnt s SER 95 Cb 0.00 0.09 0.15 0.00 0.10 0.00 0.00 66.02 66.36 1xnt s SER 95 CO 0.01 -0.74 1.03 -0.81 0.98 0.00 0.00 173.24 173.72 1xnt n PRO 96 N -1.27 1.50 0.00 4.02 -0.04 -1.26 -3.34 135.00 134.61 1xnt n PRO 96 Ca -0.09 -0.61 0.00 0.00 -0.04 0.00 0.00 63.50 62.75 1xnt n PRO 96 Cb 0.66 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.85 1xnt n PRO 96 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1xnt n SER 97 N 0.02 3.97 0.21 3.54 3.41 -1.26 -4.69 113.62 118.81 1xnt n SER 97 Ca 0.06 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.78 1xnt n SER 97 Cb 0.22 0.02 0.15 0.00 -0.26 0.00 0.00 64.21 64.35 1xnt n SER 97 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1xnt h GLU 98 N 0.00 0.00 -0.05 4.33 4.11 -1.84 -3.25 114.58 117.87 1xnt h GLU 98 Ca 0.00 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.45 1xnt h GLU 98 Cb 0.98 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.23 1xnt h GLU 98 CO 0.00 0.05 0.11 0.66 0.07 0.00 0.00 179.01 179.90 1xnt h SER 99 N 0.00 0.00 0.00 3.06 4.64 -1.77 -3.24 113.55 116.24 1xnt h SER 99 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xnt h SER 99 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1xnt h SER 99 CO 0.01 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.51 1xnt n ARG 100 N -3.42 0.00 -2.35 4.77 1.74 -1.23 -4.69 116.66 111.47 1xnt n ARG 100 Ca -0.02 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.04 1xnt n ARG 100 Cb 0.19 -0.49 0.09 0.00 -1.02 0.00 0.00 32.46 31.23 1xnt n ARG 100 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1xnt n SER 101 N -0.20 -1.24 -0.00 0.55 2.88 -1.24 -4.81 113.62 109.55 1xnt n SER 101 Ca 0.00 -2.03 0.03 0.00 -1.33 0.00 0.00 58.87 55.54 1xnt n SER 101 Cb 0.00 0.57 -0.05 0.00 -0.75 0.00 0.00 64.21 63.98 1xnt n SER 101 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xnt n GLY 102 N -1.22 -0.18 3.25 0.46 0.00 -1.24 -5.01 105.19 101.26 1xnt n GLY 102 Ca -0.17 -0.17 0.03 0.00 0.00 0.00 0.00 46.02 45.72 1xnt n GLY 102 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xnt s SER 103 N -2.56 -0.34 -0.72 1.61 0.01 -1.23 -5.01 113.70 105.46 1xnt s SER 103 Ca -0.01 0.40 -0.11 0.00 1.31 0.00 0.00 55.95 57.53 1xnt s SER 103 Cb 0.05 1.36 0.02 0.00 0.21 0.00 0.00 66.02 67.65 1xnt s SER 103 CO 0.28 -0.07 0.61 -0.46 0.41 0.00 0.00 173.24 174.02 1xnt n ASN 104 N 4.95 -4.91 0.09 2.44 6.94 -1.26 -4.44 115.26 119.08 1xnt n ASN 104 Ca -0.08 -0.76 -0.05 0.00 -0.02 0.00 0.00 54.58 53.67 1xnt n ASN 104 Cb 0.54 -1.57 0.00 0.00 -2.36 0.00 0.00 39.78 36.39 1xnt n ASN 104 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 1xnt h PRO 105 N 0.35 0.02 -4.26 -0.53 0.13 -1.84 -3.43 132.00 122.45 1xnt h PRO 105 Ca -0.62 -0.03 -0.57 0.00 -0.87 0.00 0.00 66.00 63.91 1xnt h PRO 105 Cb 1.40 0.01 -0.38 0.00 0.13 0.00 0.00 31.00 32.16 1xnt h PRO 105 CO 0.33 0.85 -0.80 -0.80 -0.23 0.00 0.00 178.00 177.35 1xnt s ASN 106 N -6.79 2.95 0.00 1.44 0.02 -1.26 0.21 114.94 111.51 1xnt s ASN 106 Ca -0.00 -0.71 0.00 0.00 -1.02 0.00 0.00 52.86 51.13 1xnt s ASN 106 Cb 0.11 -0.99 0.00 0.00 0.02 0.00 0.00 41.25 40.39 1xnt s ASN 106 CO 0.80 -0.17 0.00 0.54 0.02 0.00 0.00 177.10 178.29 1xnt n ARG 107 N 4.83 1.03 -3.75 -0.60 1.74 0.31 -4.97 116.66 115.25 1xnt n ARG 107 Ca -0.13 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.82 1xnt n ARG 107 Cb 0.48 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 31.78 1xnt n ARG 107 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1xnt s VAL 108 N -1.36 -0.04 -0.03 1.55 1.01 -1.26 -1.15 120.40 119.12 1xnt s VAL 108 Ca 0.00 0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.14 1xnt s VAL 108 Cb 0.00 -0.29 0.02 0.00 0.00 0.00 0.00 36.38 36.11 1xnt s VAL 108 CO 0.00 0.06 -0.04 -0.13 0.00 0.00 0.00 175.10 174.99 1xnt s ARG 109 N 1.08 0.67 0.55 2.72 1.81 -0.36 -4.81 118.95 120.60 1xnt s ARG 109 Ca -0.08 -0.09 0.08 0.00 -1.72 0.00 0.00 55.73 53.91 1xnt s ARG 109 Cb -0.10 -0.70 0.05 0.00 -0.45 0.00 0.00 34.95 33.76 1xnt s ARG 109 CO -0.06 -0.05 0.57 -1.64 -0.68 0.00 0.00 175.30 173.45 1xnt s MET 110 N 0.71 2.31 0.11 3.54 -1.94 -1.26 -1.00 119.30 121.77 1xnt s MET 110 Ca -0.09 -1.80 -0.01 0.00 -1.71 0.00 0.00 55.69 52.07 1xnt s MET 110 Cb -0.12 -2.37 -0.04 0.00 2.01 0.00 0.00 34.83 34.31 1xnt s MET 110 CO -0.00 -0.68 0.04 -0.06 -0.01 0.00 0.00 175.02 174.31 1xnt s PHE 111 N -2.70 0.76 0.00 -0.03 0.40 0.14 -4.89 117.98 111.67 1xnt s PHE 111 Ca 0.47 -1.18 0.00 0.00 -0.60 0.00 0.00 56.93 55.63 1xnt s PHE 111 Cb -0.04 -0.44 0.00 0.00 0.51 0.00 0.00 43.02 43.05 1xnt s PHE 111 CO 0.30 -0.49 0.00 0.41 0.70 0.00 0.00 175.22 176.14 1xnt n GLY 112 N -0.05 4.89 0.19 4.36 0.00 -1.26 -1.15 105.19 112.18 1xnt n GLY 112 Ca -0.08 -1.10 0.07 0.00 0.00 0.00 0.00 46.02 44.91 1xnt n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xnt h PRO 113 N 0.00 0.00 -0.83 1.61 0.13 -1.73 -3.19 132.00 127.98 1xnt h PRO 113 Ca 0.00 0.00 0.19 0.00 -0.87 0.00 0.00 66.00 65.32 1xnt h PRO 113 Cb 0.00 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.02 1xnt h PRO 113 CO 0.00 0.32 0.33 0.22 -0.23 0.00 0.00 178.00 178.64 1xnt h ASP 114 N 0.00 0.25 -0.26 1.44 3.58 -1.96 -1.55 116.42 117.92 1xnt h ASP 114 Ca -0.00 0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.59 1xnt h ASP 114 Cb 0.99 0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.17 1xnt h ASP 114 CO 0.04 0.02 0.00 0.29 -2.88 0.00 0.00 179.24 176.71 1xnt n LYS 115 N -5.05 2.82 -4.07 0.28 5.02 -1.24 -4.94 118.16 110.98 1xnt n LYS 115 Ca 0.19 -2.21 -0.34 0.00 -2.02 0.00 0.00 58.31 53.92 1xnt n LYS 115 Cb 0.55 -1.40 -0.15 0.00 -0.02 0.00 0.00 35.03 34.02 1xnt n LYS 115 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1xnt s LEU 116 N -1.57 2.63 0.10 -0.35 2.96 -0.58 -3.58 118.68 118.28 1xnt s LEU 116 Ca 0.26 -0.47 -0.36 0.00 -0.22 0.00 0.00 54.13 53.34 1xnt s LEU 116 Cb 0.17 -1.64 -0.16 0.00 0.50 0.00 0.00 46.19 45.06 1xnt s LEU 116 CO 0.11 0.00 1.34 0.55 -1.32 0.00 0.00 176.35 177.04 1xnt n VAL 117 N 4.61 0.11 -0.17 1.68 3.14 -0.40 -4.75 118.33 122.56 1xnt n VAL 117 Ca -0.19 -0.03 -0.09 0.00 -2.96 0.00 0.00 64.34 61.07 1xnt n VAL 117 Cb 0.51 -0.89 0.04 0.00 -1.06 0.00 0.00 33.84 32.44 1xnt n VAL 117 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 1xnt h ARG 118 N 4.54 0.98 -0.93 1.45 2.43 -1.93 1.12 114.38 122.04 1xnt h ARG 118 Ca -0.47 -0.35 0.01 0.00 -0.81 0.00 0.00 59.98 58.37 1xnt h ARG 118 Cb 1.33 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 30.76 1xnt h ARG 118 CO 0.78 1.02 0.62 0.00 -1.51 0.00 0.00 179.97 180.88 1xnt h ALA 119 N 1.00 1.19 0.05 2.80 0.00 -2.00 -3.03 119.26 119.28 1xnt h ALA 119 Ca 0.14 -0.06 -0.34 0.00 0.00 0.00 0.00 54.91 54.65 1xnt h ALA 119 Cb 0.64 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1xnt h ALA 119 CO 0.04 0.57 -1.96 0.00 0.00 0.00 0.00 179.25 177.90 1xnt n ALA 120 N -2.36 1.25 -0.39 0.00 0.00 -1.13 -4.03 120.51 113.85 1xnt n ALA 120 Ca 0.11 -0.78 0.33 0.00 0.00 0.00 0.00 53.44 53.10 1xnt n ALA 120 Cb 0.02 -0.65 0.65 0.00 0.00 0.00 0.00 19.45 19.47 1xnt n ALA 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xnt h ALA 121 N 0.54 2.79 -0.70 0.00 0.00 0.14 0.92 119.26 122.95 1xnt h ALA 121 Ca -0.39 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1xnt h ALA 121 Cb 2.04 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.93 1xnt h ALA 121 CO 0.06 -1.25 0.00 -0.85 0.00 0.00 0.00 179.25 177.21 1xnt n GLU 122 N -4.44 2.91 -3.40 0.00 0.28 -1.15 -1.17 120.64 113.66 1xnt n GLU 122 Ca 0.30 -2.67 -0.38 0.00 -0.16 0.00 0.00 57.16 54.25 1xnt n GLU 122 Cb 1.24 -1.61 -0.06 0.00 1.43 0.00 0.00 31.44 32.44 1xnt n GLU 122 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1xnt s LYS 123 N -1.14 4.20 -0.52 3.44 -0.14 0.32 -4.84 119.74 121.05 1xnt s LYS 123 Ca 0.48 0.39 -0.28 0.00 -1.36 0.00 0.00 55.97 55.20 1xnt s LYS 123 Cb 0.26 -3.37 -0.00 0.00 -1.68 0.00 0.00 37.83 33.04 1xnt s LYS 123 CO 0.31 0.34 1.64 1.03 -0.76 0.00 0.00 175.35 177.91 1xnt s ARG 124 N 0.07 3.10 0.22 1.68 0.52 -1.26 -4.09 118.95 119.18 1xnt s ARG 124 Ca 0.24 0.73 0.08 0.00 -0.52 0.00 0.00 55.73 56.26 1xnt s ARG 124 Cb -0.15 -4.22 -0.04 0.00 0.52 0.00 0.00 34.95 31.05 1xnt s ARG 124 CO 0.10 -2.17 0.04 -1.58 0.02 0.00 0.00 175.30 171.71 1xnt s TRP 125 N 7.21 2.86 0.00 -0.53 0.52 0.14 -4.60 118.94 124.53 1xnt s TRP 125 Ca 0.63 -0.16 0.00 0.00 0.02 0.00 0.00 56.10 56.60 1xnt s TRP 125 Cb -0.14 -1.32 0.00 0.00 -1.15 0.00 0.00 33.47 30.86 1xnt s TRP 125 CO 0.26 0.55 0.43 -0.40 0.02 0.00 0.00 176.95 177.81 1xnt n ASP 126 N -0.60 0.62 -4.14 2.95 5.68 -0.38 -0.90 116.55 119.77 1xnt n ASP 126 Ca -0.08 -1.18 -0.16 0.00 -0.50 0.00 0.00 54.79 52.87 1xnt n ASP 126 Cb 0.57 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 40.43 1xnt n ASP 126 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1xnt s ARG 127 N -0.18 0.74 -0.05 0.11 0.52 0.26 -0.56 118.95 119.79 1xnt s ARG 127 Ca 0.00 -0.92 -0.05 0.00 -0.52 0.00 0.00 55.73 54.24 1xnt s ARG 127 Cb 0.00 -0.63 0.01 0.00 0.52 0.00 0.00 34.95 34.85 1xnt s ARG 127 CO 0.00 0.13 0.15 0.54 0.02 0.00 0.00 175.30 176.14 1xnt s VAL 128 N -1.44 0.01 -0.34 3.52 0.11 -0.49 -2.19 120.40 119.59 1xnt s VAL 128 Ca -0.04 -0.11 -0.07 0.00 -2.93 0.00 0.00 61.98 58.83 1xnt s VAL 128 Cb -0.09 -0.25 0.03 0.00 -1.53 0.00 0.00 36.38 34.54 1xnt s VAL 128 CO 0.01 -0.06 0.11 -0.75 -3.33 0.00 0.00 175.10 171.09 1xnt s LYS 129 N -0.16 2.74 -0.27 1.54 2.20 -0.55 -0.20 119.74 125.04 1xnt s LYS 129 Ca -0.02 -1.10 -0.08 0.00 -0.36 0.00 0.00 55.97 54.40 1xnt s LYS 129 Cb -0.02 -3.48 -0.03 0.00 -1.51 0.00 0.00 37.83 32.79 1xnt s LYS 129 CO 0.00 -0.63 0.11 0.42 -0.36 0.00 0.00 175.35 174.89 1xnt s ILE 130 N 1.44 4.54 -0.15 5.43 -1.09 -0.31 -1.16 121.20 129.90 1xnt s ILE 130 Ca -0.00 -0.18 0.01 0.00 -2.23 0.00 0.00 60.65 58.25 1xnt s ILE 130 Cb -0.19 -3.18 0.02 0.00 -1.58 0.00 0.00 42.46 37.53 1xnt s ILE 130 CO 0.03 0.26 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.13 1xnt s VAL 131 N 1.64 1.78 0.06 2.92 1.01 -0.34 0.52 120.40 127.99 1xnt s VAL 131 Ca 0.06 -0.78 -0.08 0.00 0.00 0.00 0.00 61.98 61.18 1xnt s VAL 131 Cb -0.16 -1.62 -0.05 0.00 0.00 0.00 0.00 36.38 34.54 1xnt s VAL 131 CO 0.05 0.50 0.35 0.00 0.00 0.00 0.00 175.10 176.00 1xnt s SER 133 N -1.85 -0.18 0.00 0.00 0.01 0.22 -0.91 113.70 110.99 1xnt s SER 133 Ca 0.32 0.67 0.00 0.00 1.31 0.00 0.00 55.95 58.26 1xnt s SER 133 Cb -0.13 0.65 0.00 0.00 0.21 0.00 0.00 66.02 66.75 1xnt s SER 133 CO 0.18 -0.20 0.00 1.67 0.41 0.00 0.00 173.24 175.31 1xnt n GLN 134 N 4.61 0.00 -2.97 12.44 0.00 -0.79 -0.83 117.38 129.84 1xnt n GLN 134 Ca -0.19 0.00 -0.43 0.00 -0.00 0.00 0.00 57.00 56.38 1xnt n GLN 134 Cb 0.52 0.00 -0.05 0.00 0.00 0.00 0.00 30.24 30.72 1xnt n GLN 134 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 1xnt s PRO 135 N -0.89 3.17 0.00 3.69 0.04 -1.23 -4.08 135.00 135.70 1xnt s PRO 135 Ca 0.00 -0.74 0.00 0.00 0.04 0.00 0.00 61.00 60.30 1xnt s PRO 135 Cb 0.00 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.40 1xnt s PRO 135 CO 0.00 -1.52 0.04 2.48 0.04 0.00 0.00 177.00 178.04 1xnt n TYR 136 N 7.04 0.00 -4.21 0.56 4.11 -1.18 -4.65 117.16 118.83 1xnt n TYR 136 Ca -0.04 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.76 1xnt n TYR 136 Cb 0.46 0.00 -0.03 0.00 -0.00 0.00 0.00 39.34 39.77 1xnt n TYR 136 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.86 177.29 1xnt n SER 137 N -0.06 1.17 0.00 9.48 7.64 -1.26 -4.76 113.62 125.82 1xnt n SER 137 Ca 0.00 -1.88 0.00 0.00 1.01 0.00 0.00 58.87 58.00 1xnt n SER 137 Cb 0.13 0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 1xnt n SER 137 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1xnt n LYS 138 N -0.38 0.00 -0.10 1.43 4.81 -1.26 -3.74 118.16 118.92 1xnt n LYS 138 Ca -0.03 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.26 1xnt n LYS 138 Cb 0.25 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.21 1xnt n LYS 138 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1xnt n ASP 139 N -0.79 2.30 -4.68 3.14 5.75 -1.26 -3.29 116.55 117.73 1xnt n ASP 139 Ca 0.00 -0.03 -0.32 0.00 -0.01 0.00 0.00 54.79 54.43 1xnt n ASP 139 Cb 0.00 -0.36 -0.09 0.00 -1.03 0.00 0.00 41.12 39.64 1xnt n ASP 139 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1xnt s SER 140 N -6.04 5.11 0.62 -1.12 1.04 -1.26 -4.53 113.70 107.51 1xnt s SER 140 Ca -0.26 -0.03 -0.05 0.00 0.48 0.00 0.00 55.95 56.09 1xnt s SER 140 Cb 0.07 -1.32 0.03 0.00 0.10 0.00 0.00 66.02 64.90 1xnt s SER 140 CO 0.42 0.27 0.91 -2.16 0.98 0.00 0.00 173.24 173.66 1xnt s PRO 141 N -1.64 2.66 0.00 4.02 0.04 -1.26 -4.28 135.00 134.53 1xnt s PRO 141 Ca 0.20 -0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.06 1xnt s PRO 141 Cb -0.12 -2.27 0.00 0.00 0.04 0.00 0.00 34.50 32.15 1xnt s PRO 141 CO 0.11 -0.85 0.00 1.19 0.04 0.00 0.00 177.00 177.49 1xnt n PHE 142 N -2.64 -0.19 0.00 0.56 3.72 -1.26 -4.82 117.46 112.82 1xnt n PHE 142 Ca 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 1xnt n PHE 142 Cb 0.59 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.13 1xnt n PHE 142 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xnt n GLY 143 N 0.00 -1.02 3.20 1.37 0.00 -1.22 -1.33 105.19 106.19 1xnt n GLY 143 Ca 0.00 0.44 -0.20 0.00 0.00 0.00 0.00 46.02 46.27 1xnt n GLY 143 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1xnt s LEU 144 N 0.00 2.28 0.43 0.99 2.34 -1.19 -1.38 118.68 122.15 1xnt s LEU 144 Ca 0.00 -0.63 0.29 0.00 0.06 0.00 0.00 54.13 53.86 1xnt s LEU 144 Cb 0.00 -0.61 1.12 0.00 -0.56 0.00 0.00 46.19 46.13 1xnt s LEU 144 CO 0.00 -0.04 1.85 0.28 -1.06 0.00 0.00 176.35 177.39 1xnt h SER 145 N 4.27 0.00 0.00 1.48 0.02 -0.47 -1.33 113.55 117.52 1xnt h SER 145 Ca -0.42 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1xnt h SER 145 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1xnt h SER 145 CO 0.40 0.00 0.00 2.22 -1.14 0.00 0.00 176.83 178.31 1xnt n PHE 146 N -2.77 0.00 -3.67 3.45 1.16 -1.24 -4.41 117.46 109.98 1xnt n PHE 146 Ca 0.02 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.51 1xnt n PHE 146 Cb 0.31 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.09 1xnt n PHE 146 CO 0.00 0.00 0.00 0.14 -1.87 0.00 0.00 176.76 175.03 1xnt s VAL 147 N -2.00 -0.03 0.04 1.97 -7.23 -1.25 -1.51 120.40 110.39 1xnt s VAL 147 Ca 0.00 0.05 -0.03 0.00 -1.81 0.00 0.00 61.98 60.19 1xnt s VAL 147 Cb 0.00 -0.80 -0.02 0.00 0.56 0.00 0.00 36.38 36.12 1xnt s VAL 147 CO 0.00 0.02 0.03 -0.13 -0.31 0.00 0.00 175.10 174.71 1xnt s ARG 148 N 1.54 0.57 0.07 4.82 0.52 0.21 -4.93 118.95 121.75 1xnt s ARG 148 Ca -0.10 -0.93 0.06 0.00 -0.52 0.00 0.00 55.73 54.25 1xnt s ARG 148 Cb -0.07 0.21 -0.03 0.00 0.52 0.00 0.00 34.95 35.58 1xnt s ARG 148 CO -0.16 -0.12 -0.17 -0.06 0.02 0.00 0.00 175.30 174.80 1xnt s PHE 149 N -3.01 1.49 -0.11 -0.53 0.08 -1.22 0.31 117.98 115.00 1xnt s PHE 149 Ca -0.01 -0.41 -0.05 0.00 0.12 0.00 0.00 56.93 56.57 1xnt s PHE 149 Cb 0.01 -0.84 0.05 0.00 -0.57 0.00 0.00 43.02 41.66 1xnt s PHE 149 CO -0.07 0.11 0.25 -3.38 -0.10 0.00 0.00 175.22 172.03 1xnt s HIS 150 N -1.09 -0.33 -2.88 0.36 -3.43 -0.51 -1.66 115.29 105.75 1xnt s HIS 150 Ca 0.03 0.79 0.25 0.00 -0.80 0.00 0.00 55.06 55.33 1xnt s HIS 150 Cb -0.09 0.05 0.40 0.00 -1.43 0.00 0.00 32.58 31.51 1xnt s HIS 150 CO 0.03 -0.23 1.38 -1.13 -2.00 0.00 0.00 174.74 172.79