#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xnt n PRO 2 N 0.00 1.07 0.00 0.03 -0.04 -1.26 -5.03 135.00 129.77 1xnt n PRO 2 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1xnt n PRO 2 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1xnt n PRO 2 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1xnt n GLU 3 N -0.52 0.03 -4.80 0.54 0.28 -1.26 -4.26 120.64 110.65 1xnt n GLU 3 Ca 0.00 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.68 1xnt n GLU 3 Cb 0.00 0.00 -0.17 0.00 1.43 0.00 0.00 31.44 32.70 1xnt n GLU 3 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1xnt s ILE 4 N -0.88 2.05 0.50 3.84 1.01 -0.44 -4.64 121.20 122.64 1xnt s ILE 4 Ca 0.00 -0.98 0.06 0.00 0.00 0.00 0.00 60.65 59.73 1xnt s ILE 4 Cb 0.00 -1.80 0.01 0.00 0.01 0.00 0.00 42.46 40.68 1xnt s ILE 4 CO 0.00 0.55 0.35 0.00 0.00 0.00 0.00 174.94 175.84 1xnt s ARG 5 N 0.70 2.29 0.25 2.79 3.03 -1.26 -3.23 118.95 123.52 1xnt s ARG 5 Ca -0.10 -1.93 0.09 0.00 2.03 0.00 0.00 55.73 55.82 1xnt s ARG 5 Cb -0.16 -2.11 -0.04 0.00 -1.03 0.00 0.00 34.95 31.61 1xnt s ARG 5 CO 0.01 -0.46 0.00 -0.51 -1.13 0.00 0.00 175.30 173.21 1xnt s LEU 6 N -4.19 3.24 -0.16 -1.89 1.02 -1.26 -3.46 118.68 111.98 1xnt s LEU 6 Ca 0.36 -0.58 -0.12 0.00 0.02 0.00 0.00 54.13 53.81 1xnt s LEU 6 Cb -0.01 -1.79 -0.07 0.00 0.02 0.00 0.00 46.19 44.35 1xnt s LEU 6 CO 0.22 0.02 -0.27 -1.14 0.02 0.00 0.00 176.35 175.20 1xnt n ARG 7 N -0.75 0.42 -3.84 1.70 3.00 0.19 -4.71 116.66 112.67 1xnt n ARG 7 Ca -0.07 0.18 -0.07 0.00 -0.00 0.00 0.00 57.85 57.89 1xnt n ARG 7 Cb 0.58 -1.22 -0.02 0.00 0.00 0.00 0.00 32.46 31.80 1xnt n ARG 7 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.63 174.25 1xnt s HIS 8 N -2.55 -0.19 -0.97 -0.14 -3.43 -1.25 -5.01 115.29 101.74 1xnt s HIS 8 Ca -0.25 -0.25 -0.23 0.00 -0.80 0.00 0.00 55.06 53.52 1xnt s HIS 8 Cb 0.07 0.70 0.05 0.00 -1.43 0.00 0.00 32.58 31.97 1xnt s HIS 8 CO 0.35 -1.19 1.40 0.54 -2.00 0.00 0.00 174.74 173.84 1xnt s VAL 9 N -3.85 3.94 0.11 -5.38 0.11 -1.26 -0.13 120.40 113.94 1xnt s VAL 9 Ca 0.11 -0.65 -0.33 0.00 -2.93 0.00 0.00 61.98 58.19 1xnt s VAL 9 Cb -0.05 -5.02 -0.12 0.00 -1.53 0.00 0.00 36.38 29.65 1xnt s VAL 9 CO 0.06 -1.90 1.57 1.62 -3.33 0.00 0.00 175.10 173.13 1xnt h VAL 10 N 6.64 0.09 -3.03 2.04 3.04 -1.67 -3.44 116.25 119.91 1xnt h VAL 10 Ca 0.13 0.00 -0.50 0.00 -1.01 0.00 0.00 66.70 65.32 1xnt h VAL 10 Cb 1.02 0.09 -0.16 0.00 -2.01 0.00 0.00 31.29 30.23 1xnt h VAL 10 CO 1.39 0.00 -0.76 -0.55 -1.01 0.00 0.00 177.57 176.64 1xnt s SER 11 N -4.67 2.70 -0.29 3.17 0.15 -0.28 -5.02 113.70 109.47 1xnt s SER 11 Ca -0.16 -0.94 -0.13 0.00 0.70 0.00 0.00 55.95 55.41 1xnt s SER 11 Cb 0.07 -0.16 0.11 0.00 -1.71 0.00 0.00 66.02 64.32 1xnt s SER 11 CO 0.62 -0.09 0.69 0.00 1.20 0.00 0.00 173.24 175.66 1xnt n SER 13 N 4.83 4.77 0.00 0.00 7.64 0.21 -4.85 113.62 126.22 1xnt n SER 13 Ca -0.16 -3.70 0.00 0.00 1.01 0.00 0.00 58.87 56.02 1xnt n SER 13 Cb 0.54 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 1xnt n SER 13 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1xnt n SER 14 N -0.31 0.00 -3.59 6.43 3.41 -1.13 -2.09 113.62 116.35 1xnt n SER 14 Ca 0.34 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.80 1xnt n SER 14 Cb 0.45 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.33 1xnt n SER 14 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xnt s GLN 15 N 0.00 0.92 0.00 4.33 1.03 -1.26 -4.29 119.66 120.39 1xnt s GLN 15 Ca 0.00 0.69 0.00 0.00 0.04 0.00 0.00 55.36 56.09 1xnt s GLN 15 Cb 0.00 0.44 0.00 0.00 0.03 0.00 0.00 33.01 33.48 1xnt s GLN 15 CO 0.00 -0.19 0.00 -0.25 -2.54 0.00 0.00 175.29 172.31 1xnt n ASP 16 N 1.95 0.00 -0.05 12.60 8.00 -0.88 -3.18 116.55 134.99 1xnt n ASP 16 Ca -0.16 -0.75 -0.03 0.00 0.71 0.00 0.00 54.79 54.56 1xnt n ASP 16 Cb 0.56 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.65 1xnt n ASP 16 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 1xnt h SER 17 N 0.00 0.00 0.37 -2.24 0.87 -1.91 -3.32 113.55 107.32 1xnt h SER 17 Ca 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 1xnt h SER 17 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1xnt h SER 17 CO 0.00 0.52 -0.18 0.71 -0.53 0.00 0.00 176.83 177.35 1xnt h THR 18 N -0.72 0.00 -1.59 2.23 1.35 -1.99 -3.30 112.91 108.88 1xnt h THR 18 Ca 0.00 -0.13 -0.74 0.00 -0.55 0.00 0.00 66.41 64.98 1xnt h THR 18 Cb 0.32 0.00 -0.15 0.00 -1.73 0.00 0.00 68.15 66.58 1xnt h THR 18 CO 0.00 0.00 1.83 1.41 -0.25 0.00 0.00 175.52 178.51 1xnt n HIS 19 N -3.71 3.85 -2.62 4.73 8.25 -1.26 -4.95 115.22 119.52 1xnt n HIS 19 Ca -0.06 -3.02 -0.23 0.00 -0.26 0.00 0.00 57.72 54.14 1xnt n HIS 19 Cb 0.20 -2.11 0.04 0.00 1.12 0.00 0.00 29.99 29.24 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 0.00 1.32 0.00 0.00 0.00 -1.84 -1.33 119.26 117.41 1xnt h ALA 21 Ca -0.44 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1xnt h ALA 21 Cb 1.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1xnt h ALA 21 CO 0.56 0.07 0.00 1.49 0.00 0.00 0.00 179.25 181.37 1xnt h GLU 22 N 0.00 0.00 0.00 0.00 4.81 -1.93 -1.03 114.58 116.44 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 0.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1xnt h GLU 22 CO 0.01 0.00 0.00 -0.91 -0.73 0.00 0.00 179.01 177.38 1xnt h ASN 23 N 0.00 0.00 0.35 1.04 2.35 -1.51 -1.12 115.58 116.69 1xnt h ASN 23 Ca 0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 1xnt h ASN 23 Cb 0.13 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 1xnt h ASN 23 CO 0.00 0.00 -0.18 -0.07 -1.65 0.00 0.00 177.43 175.53 1xnt h LEU 24 N 0.00 0.00 -2.74 1.61 3.38 -1.39 -0.77 115.31 115.40 1xnt h LEU 24 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xnt h LEU 24 Cb 0.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1xnt h LEU 24 CO 0.00 0.18 -0.00 -0.07 0.09 0.00 0.00 178.44 178.64 1xnt h LEU 25 N 0.00 0.00 -5.91 1.67 -0.00 -1.39 -2.96 115.31 106.71 1xnt h LEU 25 Ca -0.00 0.00 -0.63 0.00 -0.00 0.00 0.00 57.88 57.24 1xnt h LEU 25 Cb 0.41 0.00 -0.39 0.00 -0.00 0.00 0.00 40.66 40.67 1xnt h LEU 25 CO 0.02 0.00 -0.33 0.29 -0.00 0.00 0.00 178.44 178.42 1xnt n LYS 26 N -3.08 3.26 0.23 1.13 4.76 -0.29 -4.86 118.16 119.30 1xnt n LYS 26 Ca -0.02 -4.74 0.18 0.00 -2.87 0.00 0.00 58.31 50.85 1xnt n LYS 26 Cb 0.11 -2.29 0.84 0.00 -1.84 0.00 0.00 35.03 31.84 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 3.83 1.67 -2.93 7.82 0.00 -1.67 -3.14 119.26 124.84 1xnt h ALA 27 Ca 0.20 -0.01 -0.62 0.00 0.00 0.00 0.00 54.91 54.49 1xnt h ALA 27 Cb 0.56 0.01 -0.42 0.00 0.00 0.00 0.00 17.79 17.95 1xnt h ALA 27 CO 0.91 -0.39 -0.58 -0.40 0.00 0.00 0.00 179.25 178.79 1xnt n ASP 28 N -3.42 3.08 0.00 0.00 5.75 -1.26 -4.90 116.55 115.81 1xnt n ASP 28 Ca 0.02 -3.24 0.00 0.00 -0.01 0.00 0.00 54.79 51.56 1xnt n ASP 28 Cb 0.41 -0.74 0.00 0.00 -1.03 0.00 0.00 41.12 39.75 1xnt n ASP 28 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1xnt n THR 29 N 1.79 0.00 -2.19 2.12 -2.24 -1.19 -5.08 114.28 107.50 1xnt n THR 29 Ca 0.22 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.99 1xnt n THR 29 Cb 0.36 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.60 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 -0.14 -0.11 -3.63 4.78 4.11 -1.26 -5.15 117.16 115.75 1xnt n TYR 30 Ca 0.00 -0.11 -0.16 0.00 -0.00 0.00 0.00 57.90 57.63 1xnt n TYR 30 Cb 0.00 0.51 -0.07 0.00 -0.00 0.00 0.00 39.34 39.78 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 0.01 0.87 0.02 -3.48 0.52 -1.26 -5.18 118.95 110.45 1xnt s ARG 31 Ca 0.00 0.05 0.00 0.00 -0.52 0.00 0.00 55.73 55.27 1xnt s ARG 31 Cb 0.02 0.40 -0.00 0.00 0.52 0.00 0.00 34.95 35.90 1xnt s ARG 31 CO -0.01 -0.26 0.01 1.63 0.02 0.00 0.00 175.30 176.69 1xnt n LYS 32 N 1.10 0.95 -3.23 3.54 5.02 -1.26 -4.75 118.16 119.52 1xnt n LYS 32 Ca -0.20 -0.15 -0.39 0.00 -2.02 0.00 0.00 58.31 55.55 1xnt n LYS 32 Cb 0.57 0.08 -0.06 0.00 -0.02 0.00 0.00 35.03 35.60 1xnt n LYS 32 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 1xnt s TRP 33 N -1.59 3.81 -0.06 2.13 -0.00 -0.35 -4.40 118.94 118.49 1xnt s TRP 33 Ca 0.01 1.32 -0.02 0.00 -0.00 0.00 0.00 56.10 57.41 1xnt s TRP 33 Cb 0.00 -2.54 0.04 0.00 -0.00 0.00 0.00 33.47 30.97 1xnt s TRP 33 CO 0.01 0.56 0.11 0.50 -0.00 0.00 0.00 176.95 178.13 1xnt s ARG 34 N -1.05 0.02 0.67 5.86 6.06 -1.12 -3.37 118.95 126.02 1xnt s ARG 34 Ca 0.30 0.37 -0.17 0.00 -2.50 0.00 0.00 55.73 53.74 1xnt s ARG 34 Cb -0.20 -0.27 -0.05 0.00 0.06 0.00 0.00 34.95 34.50 1xnt s ARG 34 CO 0.20 -0.22 0.62 0.00 -2.50 0.00 0.00 175.30 173.39 1xnt n ALA 35 N 4.63 -1.11 0.27 6.12 0.00 -0.64 -2.08 120.51 127.70 1xnt n ALA 35 Ca -0.18 -0.16 0.18 0.00 0.00 0.00 0.00 53.44 53.27 1xnt n ALA 35 Cb 0.51 -1.90 0.94 0.00 0.00 0.00 0.00 19.45 18.99 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 -0.13 1.52 -3.04 0.00 0.00 -1.73 -3.34 119.26 112.54 1xnt h ALA 36 Ca -0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1xnt h ALA 36 Cb 1.36 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1xnt h ALA 36 CO 0.45 -0.15 0.00 0.36 0.00 0.00 0.00 179.25 179.91 1xnt n LYS 37 N -3.59 0.08 -1.41 0.00 2.85 -1.26 -4.67 118.16 110.15 1xnt n LYS 37 Ca -0.01 0.00 -0.05 0.00 -1.05 0.00 0.00 58.31 57.20 1xnt n LYS 37 Cb 0.20 0.00 0.02 0.00 -0.65 0.00 0.00 35.03 34.60 1xnt n LYS 37 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1xnt n ALA 38 N -3.00 0.25 -3.43 0.58 0.00 -1.26 -4.43 120.51 109.22 1xnt n ALA 38 Ca 0.00 -0.53 -0.18 0.00 0.00 0.00 0.00 53.44 52.74 1xnt n ALA 38 Cb 0.00 0.13 0.09 0.00 0.00 0.00 0.00 19.45 19.67 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 3.16 -0.37 3.56 0.00 0.00 -0.98 -4.77 105.19 105.80 1xnt n GLY 39 Ca 0.04 0.11 -0.20 0.00 0.00 0.00 0.00 46.02 45.97 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 -4.19 0.40 0.04 1.61 1.02 -1.26 -4.67 120.64 113.60 1xnt n GLU 40 Ca -0.25 -1.80 -0.13 0.00 -0.02 0.00 0.00 57.16 54.97 1xnt n GLU 40 Cb 0.65 -3.76 -0.09 0.00 -0.02 0.00 0.00 31.44 28.22 1xnt n GLU 40 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1xnt h LYS 41 N 11.08 -0.10 -2.22 3.49 3.64 -1.86 -3.40 116.57 127.20 1xnt h LYS 41 Ca 0.07 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1xnt h LYS 41 Cb 0.95 0.02 -0.23 0.00 -0.41 0.00 0.00 32.23 32.57 1xnt h LYS 41 CO 1.16 0.21 -0.16 0.95 -2.27 0.00 0.00 179.45 179.33 1xnt s THR 42 N -4.94 -0.46 -0.03 1.00 -4.23 -1.26 -2.21 115.64 103.52 1xnt s THR 42 Ca -0.15 0.05 0.06 0.00 -1.18 0.00 0.00 61.69 60.48 1xnt s THR 42 Cb 0.03 -0.86 -0.02 0.00 1.34 0.00 0.00 72.50 72.98 1xnt s THR 42 CO 0.64 0.02 -0.22 0.27 -0.54 0.00 0.00 174.62 174.79 1xnt s ILE 43 N 2.20 2.38 -0.04 2.99 -4.36 -0.13 -4.99 121.20 119.25 1xnt s ILE 43 Ca -0.07 -0.98 0.05 0.00 -0.26 0.00 0.00 60.65 59.39 1xnt s ILE 43 Cb -0.09 -1.86 -0.03 0.00 1.25 0.00 0.00 42.46 41.73 1xnt s ILE 43 CO -0.17 0.58 -0.17 -0.94 0.24 0.00 0.00 174.94 174.48 1xnt s SER 44 N -0.58 3.81 -0.23 4.36 1.04 -0.89 -0.78 113.70 120.43 1xnt s SER 44 Ca 0.09 -0.27 -0.03 0.00 0.48 0.00 0.00 55.95 56.22 1xnt s SER 44 Cb -0.11 -0.72 0.11 0.00 0.10 0.00 0.00 66.02 65.39 1xnt s SER 44 CO 0.00 0.33 0.25 0.54 0.98 0.00 0.00 173.24 175.35 1xnt s VAL 45 N -0.72 -0.36 -0.30 5.02 0.11 0.19 0.64 120.40 124.97 1xnt s VAL 45 Ca 0.11 -0.20 -0.18 0.00 -2.93 0.00 0.00 61.98 58.78 1xnt s VAL 45 Cb -0.10 -0.76 -0.01 0.00 -1.53 0.00 0.00 36.38 33.97 1xnt s VAL 45 CO 0.01 -0.26 0.54 -0.69 -3.33 0.00 0.00 175.10 171.37 1xnt s VAL 46 N 2.35 5.02 0.46 2.04 1.01 0.16 -1.01 120.40 130.42 1xnt s VAL 46 Ca 0.08 0.69 0.05 0.00 0.00 0.00 0.00 61.98 62.79 1xnt s VAL 46 Cb -0.15 -3.91 0.01 0.00 0.00 0.00 0.00 36.38 32.33 1xnt s VAL 46 CO -0.17 -0.07 0.64 -0.76 0.00 0.00 0.00 175.10 174.74 1xnt s LEU 47 N 2.41 3.57 -0.13 3.92 1.02 0.95 -1.12 118.68 129.31 1xnt s LEU 47 Ca 0.21 -0.17 0.01 0.00 0.02 0.00 0.00 54.13 54.20 1xnt s LEU 47 Cb -0.15 -2.80 -0.01 0.00 0.02 0.00 0.00 46.19 43.25 1xnt s LEU 47 CO 0.11 -0.84 -0.15 -1.58 0.02 0.00 0.00 176.35 173.91 1xnt s GLN 48 N -4.49 3.33 0.05 1.70 -0.44 0.82 -1.49 119.66 119.13 1xnt s GLN 48 Ca 0.54 -0.72 -0.24 0.00 -2.50 0.00 0.00 55.36 52.44 1xnt s GLN 48 Cb -0.10 -2.58 -0.06 0.00 -1.64 0.00 0.00 33.01 28.63 1xnt s GLN 48 CO 0.35 0.20 0.74 -0.51 0.50 0.00 0.00 175.29 176.57 1xnt s LEU 49 N 0.37 4.46 0.00 3.68 1.43 0.57 -0.64 118.68 128.56 1xnt s LEU 49 Ca -0.12 1.42 -0.01 0.00 -1.03 0.00 0.00 54.13 54.39 1xnt s LEU 49 Cb -0.16 -3.18 -0.04 0.00 0.03 0.00 0.00 46.19 42.83 1xnt s LEU 49 CO 0.06 0.06 2.25 -1.84 0.23 0.00 0.00 176.35 177.10 1xnt n GLU 50 N 2.63 1.15 0.00 1.70 0.28 -1.22 -4.72 120.64 120.46 1xnt n GLU 50 Ca -0.04 -0.16 0.00 0.00 -0.16 0.00 0.00 57.16 56.80 1xnt n GLU 50 Cb 0.50 -1.16 0.00 0.00 1.43 0.00 0.00 31.44 32.21 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 1.66 0.00 -2.35 3.44 2.85 -1.26 -5.03 118.16 117.48 1xnt n LYS 51 Ca 0.07 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.93 1xnt n LYS 51 Cb 0.56 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.91 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 -0.62 2.98 0.32 -1.58 2.12 -1.26 -4.49 118.70 116.17 1xnt s GLU 52 Ca 0.00 0.13 0.03 0.00 0.36 0.00 0.00 54.97 55.49 1xnt s GLU 52 Cb 0.00 -4.26 -0.05 0.00 0.26 0.00 0.00 34.13 30.09 1xnt s GLU 52 CO 0.00 -2.36 0.10 -1.83 -0.54 0.00 0.00 175.26 170.63 1xnt s GLU 53 N 6.22 1.63 0.66 4.30 4.04 0.50 -4.62 118.70 131.44 1xnt s GLU 53 Ca 0.48 -1.93 -0.04 0.00 0.04 0.00 0.00 54.97 53.52 1xnt s GLU 53 Cb -0.10 -0.52 0.05 0.00 0.02 0.00 0.00 34.13 33.58 1xnt s GLU 53 CO 0.18 -0.32 0.95 -0.65 -1.84 0.00 0.00 175.26 173.57 1xnt s GLN 54 N -3.88 2.29 -0.11 -4.83 -0.21 -1.26 0.39 119.66 112.05 1xnt s GLN 54 Ca 0.34 -0.41 0.00 0.00 0.02 0.00 0.00 55.36 55.31 1xnt s GLN 54 Cb 0.07 -2.26 0.02 0.00 1.00 0.00 0.00 33.01 31.84 1xnt s GLN 54 CO 0.15 -1.09 -0.10 0.42 -2.12 0.00 0.00 175.29 172.55 1xnt s ILE 55 N -3.11 1.15 -0.11 1.08 1.09 -0.13 -4.54 121.20 116.63 1xnt s ILE 55 Ca 0.59 -0.40 0.07 0.00 -1.10 0.00 0.00 60.65 59.81 1xnt s ILE 55 Cb -0.11 -1.11 -0.12 0.00 -1.06 0.00 0.00 42.46 40.06 1xnt s ILE 55 CO 0.43 0.38 -0.01 1.57 -0.10 0.00 0.00 174.94 177.21 1xnt n HIS 56 N 4.60 0.00 -3.90 3.97 -0.00 -1.17 -4.52 115.22 114.19 1xnt n HIS 56 Ca -0.16 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 57.92 1xnt n HIS 56 Cb 0.50 -0.51 -0.09 0.00 -0.12 0.00 0.00 29.99 29.77 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 -4.58 0.13 0.07 0.26 0.01 -0.46 -2.10 113.70 107.04 1xnt s SER 57 Ca -0.09 -0.49 0.01 0.00 1.31 0.00 0.00 55.95 56.68 1xnt s SER 57 Cb 0.04 0.25 -0.04 0.00 0.21 0.00 0.00 66.02 66.48 1xnt s SER 57 CO 0.39 -0.54 -0.05 -0.69 0.41 0.00 0.00 173.24 172.76 1xnt s VAL 58 N -2.69 0.50 -0.02 3.43 1.01 -0.49 -1.14 120.40 121.00 1xnt s VAL 58 Ca -0.04 -1.77 0.02 0.00 0.00 0.00 0.00 61.98 60.19 1xnt s VAL 58 Cb -0.01 -1.46 0.00 0.00 0.00 0.00 0.00 36.38 34.92 1xnt s VAL 58 CO -0.05 -0.85 -0.06 -1.81 0.00 0.00 0.00 175.10 172.33 1xnt s ASP 59 N -2.79 0.83 -0.28 3.32 1.11 0.01 -0.00 116.67 118.87 1xnt s ASP 59 Ca 0.07 -0.12 -0.18 0.00 0.18 0.00 0.00 52.55 52.49 1xnt s ASP 59 Cb 0.04 -0.19 0.08 0.00 1.07 0.00 0.00 42.92 43.92 1xnt s ASP 59 CO -0.06 0.05 0.71 -0.63 1.18 0.00 0.00 175.17 176.41 1xnt s ILE 60 N 0.14 0.00 -0.24 0.77 1.09 -0.48 0.10 121.20 122.59 1xnt s ILE 60 Ca -0.01 0.00 -0.09 0.00 -1.10 0.00 0.00 60.65 59.44 1xnt s ILE 60 Cb -0.06 -1.00 -0.04 0.00 -1.06 0.00 0.00 42.46 40.30 1xnt s ILE 60 CO -0.00 0.00 0.13 -0.83 -0.10 0.00 0.00 174.94 174.14 1xnt s GLY 61 N 1.30 1.91 -0.02 6.18 0.00 -0.67 -1.28 107.32 114.74 1xnt s GLY 61 Ca -0.07 -0.96 -0.27 0.00 0.00 0.00 0.00 44.72 43.42 1xnt s GLY 61 CO -0.14 0.43 0.84 -1.31 0.00 0.00 0.00 173.10 172.92 1xnt s ASN 62 N 1.23 7.21 -1.09 1.64 0.02 -1.23 -1.57 114.94 121.13 1xnt s ASN 62 Ca 0.06 1.45 -0.03 0.00 -1.02 0.00 0.00 52.86 53.33 1xnt s ASN 62 Cb -0.14 -2.50 0.29 0.00 0.02 0.00 0.00 41.25 38.92 1xnt s ASN 62 CO 0.05 -0.16 1.75 -0.67 0.02 0.00 0.00 177.10 178.09 1xnt n ASP 63 N 3.67 6.91 0.00 -1.22 2.03 -0.42 -3.73 116.55 123.80 1xnt n ASP 63 Ca 0.02 -3.49 0.00 0.00 0.52 0.00 0.00 54.79 51.84 1xnt n ASP 63 Cb 0.51 -1.25 0.00 0.00 -0.72 0.00 0.00 41.12 39.66 1xnt n ASP 63 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xnt n GLY 64 N 0.84 0.83 3.71 0.27 0.00 -1.15 -4.00 105.19 105.68 1xnt n GLY 64 Ca 0.40 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.00 1xnt n GLY 64 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xnt s SER 65 N -2.86 7.30 -0.14 1.61 0.01 -1.26 -4.78 113.70 113.58 1xnt s SER 65 Ca 0.00 1.58 -0.10 0.00 1.31 0.00 0.00 55.95 58.74 1xnt s SER 65 Cb 0.00 -2.55 -0.06 0.00 0.21 0.00 0.00 66.02 63.62 1xnt s SER 65 CO 0.00 -0.26 -0.02 0.00 0.41 0.00 0.00 173.24 173.37 1xnt h ALA 66 N 6.84 0.04 -2.83 1.44 0.00 -1.77 -3.38 119.26 119.61 1xnt h ALA 66 Ca -0.40 -0.52 -0.58 0.00 0.00 0.00 0.00 54.91 53.42 1xnt h ALA 66 Cb 1.21 0.41 -0.07 0.00 0.00 0.00 0.00 17.79 19.34 1xnt h ALA 66 CO 0.76 0.40 -0.10 -0.06 0.00 0.00 0.00 179.25 180.25 1xnt s PHE 67 N -2.11 3.60 -0.21 0.00 0.08 -0.30 -0.40 117.98 118.63 1xnt s PHE 67 Ca -0.14 1.01 -0.04 0.00 0.12 0.00 0.00 56.93 57.87 1xnt s PHE 67 Cb 0.02 -2.54 0.07 0.00 -0.57 0.00 0.00 43.02 40.00 1xnt s PHE 67 CO 0.26 0.29 0.10 0.08 -0.10 0.00 0.00 175.22 175.85 1xnt s VAL 68 N 0.13 0.00 0.01 -0.44 1.01 0.06 0.23 120.40 121.40 1xnt s VAL 68 Ca 0.27 -0.41 -0.01 0.00 0.00 0.00 0.00 61.98 61.84 1xnt s VAL 68 Cb -0.16 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 1xnt s VAL 68 CO 0.13 -0.41 0.14 -0.70 0.00 0.00 0.00 175.10 174.25 1xnt s GLU 69 N 2.09 3.23 -0.07 2.72 2.12 0.07 0.22 118.70 129.08 1xnt s GLU 69 Ca 0.04 -0.45 -0.01 0.00 0.36 0.00 0.00 54.97 54.91 1xnt s GLU 69 Cb -0.16 -2.95 0.03 0.00 0.26 0.00 0.00 34.13 31.30 1xnt s GLU 69 CO -0.17 0.64 0.00 0.08 -0.54 0.00 0.00 175.26 175.27 1xnt s VAL 70 N -1.31 0.36 0.31 3.70 1.01 -0.66 -0.99 120.40 122.81 1xnt s VAL 70 Ca 0.27 0.12 0.08 0.00 0.00 0.00 0.00 61.98 62.44 1xnt s VAL 70 Cb -0.12 -0.51 -0.04 0.00 0.00 0.00 0.00 36.38 35.71 1xnt s VAL 70 CO 0.19 0.25 0.18 -0.76 0.00 0.00 0.00 175.10 174.95 1xnt s LEU 71 N 1.87 3.49 0.28 3.92 1.02 -0.30 -1.72 118.68 127.23 1xnt s LEU 71 Ca 0.03 -0.54 0.11 0.00 0.02 0.00 0.00 54.13 53.75 1xnt s LEU 71 Cb -0.12 -2.03 -0.05 0.00 0.02 0.00 0.00 46.19 44.01 1xnt s LEU 71 CO -0.05 -0.20 -0.17 0.68 0.02 0.00 0.00 176.35 176.63 1xnt s VAL 72 N -2.30 2.28 -0.13 -1.59 -7.23 -0.36 -1.48 120.40 109.59 1xnt s VAL 72 Ca 0.36 -2.33 -0.34 0.00 -1.81 0.00 0.00 61.98 57.86 1xnt s VAL 72 Cb -0.05 -2.32 0.15 0.00 0.56 0.00 0.00 36.38 34.71 1xnt s VAL 72 CO 0.24 -0.40 1.42 -0.83 -0.31 0.00 0.00 175.10 175.22 1xnt s GLY 73 N -3.49 -0.43 0.18 2.32 0.00 -0.74 -0.88 107.32 104.28 1xnt s GLY 73 Ca 0.29 1.15 0.06 0.00 0.00 0.00 0.00 44.72 46.23 1xnt s GLY 73 CO 0.14 0.27 0.06 -0.45 0.00 0.00 0.00 173.10 173.12 1xnt s SER 74 N -2.78 5.07 -0.03 1.64 0.15 -1.26 0.27 113.70 116.76 1xnt s SER 74 Ca 0.14 -0.30 0.10 0.00 0.70 0.00 0.00 55.95 56.59 1xnt s SER 74 Cb 0.06 -1.19 0.34 0.00 -1.71 0.00 0.00 66.02 63.52 1xnt s SER 74 CO -0.06 0.07 1.22 -1.54 1.20 0.00 0.00 173.24 174.14 1xnt n SER 75 N -0.27 2.28 0.00 5.45 3.41 -1.26 -4.45 113.62 118.77 1xnt n SER 75 Ca -0.09 -2.12 0.00 0.00 -0.26 0.00 0.00 58.87 56.40 1xnt n SER 75 Cb 0.55 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 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 0.48 -0.06 -3.84 7.33 0.00 -1.26 -4.68 120.51 118.49 1xnt n ALA 76 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.23 1xnt n ALA 76 Cb 0.41 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.74 1xnt n ALA 76 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1xnt s GLY 77 N -1.07 2.46 0.43 0.00 0.00 -1.26 -5.09 107.32 102.80 1xnt s GLY 77 Ca 0.00 -3.24 -0.05 0.00 0.00 0.00 0.00 44.72 41.43 1xnt s GLY 77 CO 0.00 1.05 0.72 -0.32 0.00 0.00 0.00 173.10 174.56 1xnt s GLY 78 N 0.24 1.54 0.00 0.20 0.00 -1.26 -4.99 107.32 103.06 1xnt s GLY 78 Ca 0.17 -0.55 0.00 0.00 0.00 0.00 0.00 44.72 44.34 1xnt s GLY 78 CO -0.02 -0.41 0.00 0.00 0.00 0.00 0.00 173.10 172.68 1xnt n ALA 79 N -1.97 2.71 -2.03 3.20 0.00 -1.26 -5.15 120.51 116.01 1xnt n ALA 79 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1xnt n ALA 79 Cb 0.55 0.24 0.00 0.00 0.00 0.00 0.00 19.45 20.25 1xnt n ALA 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xnt n GLY 80 N 2.31 3.29 0.02 0.00 0.00 -1.26 -5.04 105.19 104.50 1xnt n GLY 80 Ca 0.00 -0.05 0.04 0.00 0.00 0.00 0.00 46.02 46.00 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 0.76 -0.90 1.61 1.02 -1.26 -4.44 120.64 117.43 1xnt n GLU 81 Ca 0.00 -0.10 -0.11 0.00 -0.02 0.00 0.00 57.16 56.93 1xnt n GLU 81 Cb 0.00 -1.33 0.20 0.00 -0.02 0.00 0.00 31.44 30.29 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 -2.10 2.67 -0.87 3.49 6.02 -1.26 -4.24 117.38 121.09 1xnt n GLN 82 Ca -0.07 -2.44 -0.04 0.00 -0.01 0.00 0.00 57.00 54.45 1xnt n GLN 82 Cb 0.49 -2.00 0.27 0.00 1.02 0.00 0.00 30.24 30.03 1xnt n GLN 82 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1xnt n ASP 83 N -0.40 4.14 -3.09 1.08 -0.08 -1.26 -4.96 116.55 111.99 1xnt n ASP 83 Ca 0.40 -3.31 -0.09 0.00 -1.51 0.00 0.00 54.79 50.28 1xnt n ASP 83 Cb 1.30 -0.69 0.01 0.00 2.34 0.00 0.00 41.12 44.08 1xnt n ASP 83 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 1xnt n TYR 84 N -0.47 -1.59 -4.59 -0.67 4.02 -1.26 -4.88 117.16 107.71 1xnt n TYR 84 Ca 0.37 -0.86 -0.24 0.00 -0.01 0.00 0.00 57.90 57.15 1xnt n TYR 84 Cb 1.24 -0.18 -0.16 0.00 -0.02 0.00 0.00 39.34 40.21 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 -2.89 1.61 -0.85 -0.72 2.56 -0.06 -4.89 118.70 113.46 1xnt s GLU 85 Ca 0.15 -0.42 -0.26 0.00 0.00 0.00 0.00 54.97 54.44 1xnt s GLU 85 Cb -0.01 -1.36 -0.14 0.00 2.00 0.00 0.00 34.13 34.62 1xnt s GLU 85 CO 0.09 0.07 2.31 0.08 -0.56 0.00 0.00 175.26 177.25 1xnt s VAL 86 N 0.52 3.07 0.03 3.70 1.01 -1.26 -1.22 120.40 126.26 1xnt s VAL 86 Ca -0.12 -0.07 -0.25 0.00 0.00 0.00 0.00 61.98 61.54 1xnt s VAL 86 Cb -0.14 -3.28 -0.18 0.00 0.00 0.00 0.00 36.38 32.78 1xnt s VAL 86 CO 0.03 -0.15 1.47 0.25 0.00 0.00 0.00 175.10 176.70 1xnt h LEU 87 N 21.95 -0.09 -7.25 3.92 5.85 -1.85 -3.42 115.31 134.43 1xnt h LEU 87 Ca 0.02 -0.22 -0.30 0.00 0.84 0.00 0.00 57.88 58.22 1xnt h LEU 87 Cb 1.00 0.02 -0.36 0.00 0.37 0.00 0.00 40.66 41.69 1xnt h LEU 87 CO 1.03 0.17 -0.65 -1.48 -0.34 0.00 0.00 178.44 177.18 1xnt s LEU 88 N -9.70 -0.06 1.21 2.25 0.05 -0.70 -0.46 118.68 111.28 1xnt s LEU 88 Ca -0.15 0.29 -0.17 0.00 0.05 0.00 0.00 54.13 54.16 1xnt s LEU 88 Cb 0.04 0.24 0.25 0.00 -2.05 0.00 0.00 46.19 44.67 1xnt s LEU 88 CO 0.64 -0.25 0.63 0.52 -0.55 0.00 0.00 176.35 177.35 1xnt n VAL 89 N 5.32 0.00 -1.70 1.48 0.31 -1.26 -1.65 118.33 120.84 1xnt n VAL 89 Ca -0.04 -0.33 -0.44 0.00 -0.01 0.00 0.00 64.34 63.52 1xnt n VAL 89 Cb 0.50 -0.84 -0.03 0.00 -0.91 0.00 0.00 33.84 32.55 1xnt n VAL 89 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1xnt n THR 90 N -4.97 0.11 -3.54 2.52 5.66 -1.26 -4.41 114.28 108.40 1xnt n THR 90 Ca 0.04 -0.03 -0.37 0.00 -3.05 0.00 0.00 64.05 60.63 1xnt n THR 90 Cb 0.56 -1.76 -0.09 0.00 -1.55 0.00 0.00 70.33 67.49 1xnt n THR 90 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1xnt s SER 91 N 0.97 6.22 -1.16 1.09 1.04 0.13 -4.64 113.70 117.35 1xnt s SER 91 Ca 0.76 0.24 -0.14 0.00 0.48 0.00 0.00 55.95 57.29 1xnt s SER 91 Cb -0.59 -2.16 0.18 0.00 0.10 0.00 0.00 66.02 63.55 1xnt s SER 91 CO 0.37 -0.02 1.35 -0.94 0.98 0.00 0.00 173.24 174.97 1xnt s SER 92 N 1.19 7.04 -0.03 7.02 1.04 -1.23 -0.76 113.70 127.96 1xnt s SER 92 Ca 0.12 -2.94 -0.21 0.00 0.48 0.00 0.00 55.95 53.40 1xnt s SER 92 Cb -0.14 -2.38 -0.14 0.00 0.10 0.00 0.00 66.02 63.46 1xnt s SER 92 CO 0.07 -0.73 0.92 -0.26 0.98 0.00 0.00 173.24 174.21 1xnt h PHE 93 N 7.32 -0.35 -3.25 5.02 0.04 -1.00 -3.48 116.94 121.25 1xnt h PHE 93 Ca 0.28 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.04 1xnt h PHE 93 Cb 0.90 0.11 0.00 0.00 2.20 0.00 0.00 35.95 39.16 1xnt h PHE 93 CO 1.07 0.00 0.00 -1.33 -0.60 0.00 0.00 178.31 177.46 1xnt n MET 94 N -5.05 3.21 -4.54 1.51 2.81 -1.25 -5.04 117.12 108.76 1xnt n MET 94 Ca -0.08 0.00 -0.27 0.00 -1.81 0.00 0.00 57.70 55.54 1xnt n MET 94 Cb 0.26 0.00 -0.08 0.00 -0.71 0.00 0.00 33.22 32.69 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 0.34 2.96 -0.07 7.83 1.04 -1.26 -4.40 113.70 120.14 1xnt s SER 95 Ca 0.00 -1.68 0.06 0.00 0.48 0.00 0.00 55.95 54.81 1xnt s SER 95 Cb 0.00 0.51 0.29 0.00 0.10 0.00 0.00 66.02 66.92 1xnt s SER 95 CO 0.00 -0.93 1.01 -0.81 0.98 0.00 0.00 173.24 173.50 1xnt n PRO 96 N -0.96 2.23 0.00 4.02 -0.04 -1.26 -3.35 135.00 135.65 1xnt n PRO 96 Ca -0.07 -1.11 0.00 0.00 -0.04 0.00 0.00 63.50 62.28 1xnt n PRO 96 Cb 0.65 -1.64 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 1xnt n PRO 96 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1xnt n SER 97 N 0.24 4.02 0.04 3.54 7.64 -1.26 -4.73 113.62 123.12 1xnt n SER 97 Ca 0.10 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.91 1xnt n SER 97 Cb 0.51 0.07 -0.11 0.00 -1.01 0.00 0.00 64.21 63.67 1xnt n SER 97 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 1xnt h GLU 98 N 0.00 0.00 0.00 1.43 4.11 -1.81 -3.26 114.58 115.05 1xnt h GLU 98 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1xnt h GLU 98 Cb 0.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1xnt h GLU 98 CO 0.00 0.81 0.00 0.66 0.07 0.00 0.00 179.01 180.55 1xnt h SER 99 N 0.00 0.00 0.00 3.06 4.64 -1.68 -3.19 113.55 116.38 1xnt h SER 99 Ca -0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1xnt h SER 99 Cb 1.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.89 1xnt h SER 99 CO 0.11 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.61 1xnt n ARG 100 N -2.86 0.00 -2.41 4.77 1.74 -1.23 -4.50 116.66 112.17 1xnt n ARG 100 Ca -0.02 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.03 1xnt n ARG 100 Cb 0.07 -0.43 0.10 0.00 -1.02 0.00 0.00 32.46 31.18 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 -0.21 -1.33 -0.00 0.55 2.88 -1.25 -4.77 113.62 109.50 1xnt n SER 101 Ca 0.00 -2.11 0.01 0.00 -1.33 0.00 0.00 58.87 55.44 1xnt n SER 101 Cb 0.00 0.61 -0.02 0.00 -0.75 0.00 0.00 64.21 64.05 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 -1.30 -0.12 3.29 0.46 0.00 -1.25 -5.04 105.19 101.24 1xnt n GLY 102 Ca -0.18 -0.06 0.03 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.49 -0.17 -0.29 1.61 0.01 -1.20 -5.03 113.70 106.13 1xnt s SER 103 Ca -0.01 0.24 -0.22 0.00 1.31 0.00 0.00 55.95 57.27 1xnt s SER 103 Cb 0.02 1.18 0.03 0.00 0.21 0.00 0.00 66.02 67.46 1xnt s SER 103 CO 0.11 -0.03 0.40 -0.46 0.41 0.00 0.00 173.24 173.66 1xnt n ASN 104 N 4.42 -6.23 0.07 2.44 0.23 -1.26 -4.11 115.26 110.83 1xnt n ASN 104 Ca -0.09 0.19 -0.03 0.00 -0.53 0.00 0.00 54.58 54.12 1xnt n ASN 104 Cb 0.55 -2.18 -0.06 0.00 -2.08 0.00 0.00 39.78 36.00 1xnt n ASN 104 CO 0.00 0.00 0.00 1.55 -0.93 0.00 0.00 177.26 177.88 1xnt h PRO 105 N 2.64 0.00 -2.07 -0.53 0.13 -1.79 -3.35 132.00 127.04 1xnt h PRO 105 Ca -0.30 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.39 1xnt h PRO 105 Cb 1.15 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 31.96 1xnt h PRO 105 CO 0.14 0.65 -0.77 -0.80 -0.23 0.00 0.00 178.00 176.99 1xnt s ASN 106 N -6.40 1.26 -0.15 1.44 0.02 -1.26 -2.94 114.94 106.90 1xnt s ASN 106 Ca 0.01 -2.12 -0.00 0.00 -1.02 0.00 0.00 52.86 49.72 1xnt s ASN 106 Cb 0.09 0.27 -0.01 0.00 0.02 0.00 0.00 41.25 41.62 1xnt s ASN 106 CO 0.79 -0.22 -0.13 -0.13 0.02 0.00 0.00 177.10 177.43 1xnt s ARG 107 N 0.92 3.32 0.73 -0.60 0.52 -1.24 -4.98 118.95 117.63 1xnt s ARG 107 Ca 0.23 -0.70 -0.12 0.00 -0.52 0.00 0.00 55.73 54.62 1xnt s ARG 107 Cb -0.10 -2.66 0.03 0.00 0.52 0.00 0.00 34.95 32.74 1xnt s ARG 107 CO -0.07 0.11 1.12 0.14 0.02 0.00 0.00 175.30 176.62 1xnt s VAL 108 N 0.62 3.12 0.24 3.52 -7.23 -1.26 -3.56 120.40 115.85 1xnt s VAL 108 Ca -0.07 0.36 -0.13 0.00 -1.81 0.00 0.00 61.98 60.33 1xnt s VAL 108 Cb -0.16 -3.35 -0.00 0.00 0.56 0.00 0.00 36.38 33.43 1xnt s VAL 108 CO 0.03 -0.47 0.48 -0.60 -0.31 0.00 0.00 175.10 174.23 1xnt s ARG 109 N -5.40 1.54 0.14 4.82 6.06 -0.41 -4.82 118.95 120.87 1xnt s ARG 109 Ca 0.59 -1.22 -0.03 0.00 -2.50 0.00 0.00 55.73 52.57 1xnt s ARG 109 Cb -0.11 0.48 -0.03 0.00 0.06 0.00 0.00 34.95 35.34 1xnt s ARG 109 CO 0.51 -0.64 0.11 -1.64 -2.50 0.00 0.00 175.30 171.14 1xnt s MET 110 N -4.01 0.97 0.41 5.12 -1.94 -1.26 -1.38 119.30 117.22 1xnt s MET 110 Ca 0.21 -1.37 0.06 0.00 -1.71 0.00 0.00 55.69 52.89 1xnt s MET 110 Cb -0.01 0.27 -0.08 0.00 2.01 0.00 0.00 34.83 37.03 1xnt s MET 110 CO 0.08 -0.30 0.01 -0.06 -0.01 0.00 0.00 175.02 174.75 1xnt s PHE 111 N -4.02 2.44 0.00 -0.03 0.40 1.00 -4.96 117.98 112.80 1xnt s PHE 111 Ca 0.22 -0.71 0.00 0.00 -0.60 0.00 0.00 56.93 55.84 1xnt s PHE 111 Cb 0.06 -1.72 0.00 0.00 0.51 0.00 0.00 43.02 41.87 1xnt s PHE 111 CO 0.01 0.39 0.00 0.41 0.70 0.00 0.00 175.22 176.73 1xnt n GLY 112 N -0.95 5.04 0.21 4.36 0.00 -1.26 -1.39 105.19 111.19 1xnt n GLY 112 Ca -0.05 -0.95 -0.19 0.00 0.00 0.00 0.00 46.02 44.83 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 0.75 0.00 1.61 0.13 -1.77 -3.09 132.00 129.62 1xnt h PRO 113 Ca 0.00 -0.72 -0.04 0.00 -0.87 0.00 0.00 66.00 64.37 1xnt h PRO 113 Cb 0.00 0.18 -0.01 0.00 0.13 0.00 0.00 31.00 31.31 1xnt h PRO 113 CO 0.00 1.30 -0.19 0.22 -0.23 0.00 0.00 178.00 179.10 1xnt h ASP 114 N 0.46 0.00 -0.20 1.44 1.82 -1.97 -1.73 116.42 116.24 1xnt h ASP 114 Ca -0.10 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.54 1xnt h ASP 114 Cb 1.58 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.59 1xnt h ASP 114 CO 0.19 0.19 0.00 0.29 -1.61 0.00 0.00 179.24 178.30 1xnt n LYS 115 N -3.91 1.99 -4.32 0.28 4.01 -1.21 -4.90 118.16 110.10 1xnt n LYS 115 Ca -0.02 -1.49 -0.24 0.00 -0.51 0.00 0.00 58.31 56.06 1xnt n LYS 115 Cb 0.28 -1.44 -0.12 0.00 -0.51 0.00 0.00 35.03 33.24 1xnt n LYS 115 CO 0.00 0.00 0.00 -0.48 -1.11 0.00 0.00 177.40 175.81 1xnt s LEU 116 N -1.63 2.36 0.24 -0.35 0.05 -0.65 -4.23 118.68 114.47 1xnt s LEU 116 Ca 0.34 -0.77 -0.30 0.00 0.05 0.00 0.00 54.13 53.45 1xnt s LEU 116 Cb 0.19 -0.92 -0.09 0.00 -2.05 0.00 0.00 46.19 43.33 1xnt s LEU 116 CO 0.29 0.04 1.01 0.54 -0.55 0.00 0.00 176.35 177.68 1xnt s VAL 117 N -1.51 3.85 0.25 1.48 0.11 0.39 -4.90 120.40 120.07 1xnt s VAL 117 Ca 0.12 1.83 0.10 0.00 -2.93 0.00 0.00 61.98 61.10 1xnt s VAL 117 Cb -0.08 -4.17 -0.05 0.00 -1.53 0.00 0.00 36.38 30.55 1xnt s VAL 117 CO 0.06 0.42 1.57 0.03 -3.33 0.00 0.00 175.10 173.85 1xnt h ARG 118 N 4.15 0.00 0.00 1.54 3.08 -1.92 0.52 114.38 121.75 1xnt h ARG 118 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.59 1xnt h ARG 118 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.26 1xnt h ARG 118 CO 0.68 0.67 0.00 0.00 -1.07 0.00 0.00 179.97 180.25 1xnt n ALA 119 N -2.41 1.57 0.00 0.04 0.00 -1.26 -3.10 120.51 115.35 1xnt n ALA 119 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1xnt n ALA 119 Cb 0.66 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.86 1xnt n ALA 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xnt n ALA 120 N -1.58 2.60 -0.14 0.00 0.00 -1.06 -4.55 120.51 115.79 1xnt n ALA 120 Ca 0.03 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.74 1xnt n ALA 120 Cb 0.16 0.37 0.72 0.00 0.00 0.00 0.00 19.45 20.71 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 0.00 2.73 -0.01 0.00 0.00 -0.07 0.65 119.26 122.56 1xnt h ALA 121 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1xnt h ALA 121 Cb 0.75 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1xnt h ALA 121 CO 0.00 -1.06 -0.33 -0.85 0.00 0.00 0.00 179.25 177.01 1xnt n GLU 122 N -4.13 0.86 -3.31 0.00 -0.00 -1.18 -0.96 120.64 111.92 1xnt n GLU 122 Ca 0.17 -0.57 -0.38 0.00 -0.00 0.00 0.00 57.16 56.38 1xnt n GLU 122 Cb 0.93 -1.49 -0.06 0.00 -0.00 0.00 0.00 31.44 30.82 1xnt n GLU 122 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1xnt s LYS 123 N -2.53 4.27 -0.30 3.44 1.02 0.23 -4.84 119.74 121.01 1xnt s LYS 123 Ca 0.22 0.53 -0.28 0.00 0.02 0.00 0.00 55.97 56.46 1xnt s LYS 123 Cb 0.19 -3.37 -0.02 0.00 -0.52 0.00 0.00 37.83 34.10 1xnt s LYS 123 CO 0.55 0.31 1.79 1.03 -0.92 0.00 0.00 175.35 178.10 1xnt s ARG 124 N 0.11 3.40 0.24 1.68 0.52 -1.26 -4.30 118.95 119.34 1xnt s ARG 124 Ca 0.27 1.50 0.08 0.00 -0.52 0.00 0.00 55.73 57.07 1xnt s ARG 124 Cb -0.16 -4.18 -0.04 0.00 0.52 0.00 0.00 34.95 31.09 1xnt s ARG 124 CO 0.13 -1.78 0.05 -1.58 0.02 0.00 0.00 175.30 172.14 1xnt s TRP 125 N 6.67 2.83 0.00 -0.53 0.52 0.16 -4.60 118.94 124.00 1xnt s TRP 125 Ca 0.80 -0.18 0.00 0.00 0.02 0.00 0.00 56.10 56.74 1xnt s TRP 125 Cb -0.23 -1.28 0.00 0.00 -1.15 0.00 0.00 33.47 30.80 1xnt s TRP 125 CO 0.33 0.58 0.29 -3.47 0.02 0.00 0.00 176.95 174.70 1xnt n ASP 126 N -0.82 0.52 -3.98 2.95 2.03 -0.33 -0.37 116.55 116.56 1xnt n ASP 126 Ca -0.07 -1.06 -0.13 0.00 0.52 0.00 0.00 54.79 54.05 1xnt n ASP 126 Cb 0.58 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.85 1xnt n ASP 126 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1xnt s ARG 127 N -0.06 0.38 0.01 -0.67 0.52 0.14 -0.31 118.95 118.96 1xnt s ARG 127 Ca 0.00 -0.41 0.03 0.00 -0.52 0.00 0.00 55.73 54.83 1xnt s ARG 127 Cb 0.00 -0.23 -0.01 0.00 0.52 0.00 0.00 34.95 35.23 1xnt s ARG 127 CO 0.00 0.05 -0.10 0.54 0.02 0.00 0.00 175.30 175.81 1xnt s VAL 128 N -0.72 0.79 -0.37 3.52 0.11 -0.56 -1.79 120.40 121.38 1xnt s VAL 128 Ca -0.05 -0.59 -0.06 0.00 -2.93 0.00 0.00 61.98 58.36 1xnt s VAL 128 Cb -0.06 -0.69 0.07 0.00 -1.53 0.00 0.00 36.38 34.17 1xnt s VAL 128 CO -0.00 0.10 0.16 -0.75 -3.33 0.00 0.00 175.10 171.28 1xnt s LYS 129 N -0.54 2.44 -0.18 1.54 2.20 -0.55 -0.03 119.74 124.61 1xnt s LYS 129 Ca 0.02 -1.43 -0.09 0.00 -0.36 0.00 0.00 55.97 54.11 1xnt s LYS 129 Cb -0.05 -3.54 -0.05 0.00 -1.51 0.00 0.00 37.83 32.68 1xnt s LYS 129 CO 0.00 -0.84 0.12 0.42 -0.36 0.00 0.00 175.35 174.69 1xnt s ILE 130 N 1.32 5.33 -0.07 5.43 -1.09 -0.18 -1.15 121.20 130.79 1xnt s ILE 130 Ca 0.01 0.16 -0.01 0.00 -2.23 0.00 0.00 60.65 58.59 1xnt s ILE 130 Cb -0.21 -3.41 0.03 0.00 -1.58 0.00 0.00 42.46 37.28 1xnt s ILE 130 CO 0.00 0.47 -0.03 -0.69 -1.23 0.00 0.00 174.94 173.47 1xnt s VAL 131 N 0.13 0.55 -0.20 2.92 1.01 -0.16 0.55 120.40 125.19 1xnt s VAL 131 Ca 0.09 -0.02 -0.10 0.00 0.00 0.00 0.00 61.98 61.94 1xnt s VAL 131 Cb -0.11 -0.64 -0.05 0.00 0.00 0.00 0.00 36.38 35.57 1xnt s VAL 131 CO -0.01 0.27 0.13 0.00 0.00 0.00 0.00 175.10 175.50 1xnt s SER 133 N 0.33 1.36 0.00 0.00 0.15 0.14 -0.95 113.70 114.72 1xnt s SER 133 Ca 0.08 -0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.58 1xnt s SER 133 Cb -0.11 -0.52 0.00 0.00 -1.71 0.00 0.00 66.02 63.68 1xnt s SER 133 CO -0.02 -0.10 0.00 0.00 1.20 0.00 0.00 173.24 174.32 1xnt n GLN 134 N 4.50 0.00 -2.96 5.44 0.00 -0.94 -1.15 117.38 122.27 1xnt n GLN 134 Ca -0.17 0.00 -0.44 0.00 0.00 0.00 0.00 57.00 56.39 1xnt n GLN 134 Cb 0.50 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.71 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 -1.14 3.34 0.00 2.61 0.04 -1.26 -4.42 135.00 134.17 1xnt s PRO 135 Ca 0.00 -1.43 0.00 0.00 0.04 0.00 0.00 61.00 59.61 1xnt s PRO 135 Cb 0.00 -4.55 0.00 0.00 0.04 0.00 0.00 34.50 29.99 1xnt s PRO 135 CO 0.00 -1.71 0.00 2.48 0.04 0.00 0.00 177.00 177.81 1xnt n TYR 136 N 6.72 0.00 -4.34 0.56 0.18 -1.26 -4.70 117.16 114.31 1xnt n TYR 136 Ca 0.08 0.00 -0.21 0.00 1.88 0.00 0.00 57.90 59.66 1xnt n TYR 136 Cb 0.46 0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 39.34 1xnt n TYR 136 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1xnt s SER 137 N -1.50 1.88 0.00 9.48 0.15 -1.26 -4.98 113.70 117.47 1xnt s SER 137 Ca 0.00 -1.71 0.00 0.00 0.70 0.00 0.00 55.95 54.94 1xnt s SER 137 Cb 0.00 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.84 1xnt s SER 137 CO 0.00 -1.01 0.00 0.29 1.20 0.00 0.00 173.24 173.72 1xnt n LYS 138 N -0.68 0.00 -0.01 5.44 4.76 -1.26 -4.14 118.16 122.27 1xnt n LYS 138 Ca 0.03 0.00 0.08 0.00 -2.87 0.00 0.00 58.31 55.55 1xnt n LYS 138 Cb 0.63 -0.07 -0.12 0.00 -1.84 0.00 0.00 35.03 33.63 1xnt n LYS 138 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1xnt n ASP 139 N -2.23 1.14 -4.64 4.39 5.75 -1.26 -2.31 116.55 117.38 1xnt n ASP 139 Ca 0.00 -0.22 -0.28 0.00 -0.01 0.00 0.00 54.79 54.28 1xnt n ASP 139 Cb 0.00 1.56 -0.08 0.00 -1.03 0.00 0.00 41.12 41.56 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 -3.53 4.68 0.77 -1.12 1.04 -1.26 -4.68 113.70 109.60 1xnt s SER 140 Ca -0.03 -0.39 -0.02 0.00 0.48 0.00 0.00 55.95 56.00 1xnt s SER 140 Cb 0.11 -0.97 0.03 0.00 0.10 0.00 0.00 66.02 65.29 1xnt s SER 140 CO 0.67 0.12 0.22 -0.81 0.98 0.00 0.00 173.24 174.41 1xnt n PRO 141 N 0.14 0.07 -2.66 4.02 -0.04 -1.26 -2.38 135.00 132.89 1xnt n PRO 141 Ca -0.11 -0.42 0.00 0.00 -0.04 0.00 0.00 63.50 62.93 1xnt n PRO 141 Cb 0.54 -0.19 0.00 0.00 -0.04 0.00 0.00 33.50 33.81 1xnt n PRO 141 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1xnt n PHE 142 N -2.05 0.00 0.00 0.54 -0.00 -1.26 -4.93 117.46 109.76 1xnt n PHE 142 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.48 1xnt n PHE 142 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.59 1xnt n PHE 142 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1xnt n GLY 143 N 0.00 0.49 3.45 7.13 0.00 -1.26 -1.62 105.19 113.38 1xnt n GLY 143 Ca 0.00 -0.59 -0.23 0.00 0.00 0.00 0.00 46.02 45.20 1xnt n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xnt s LEU 144 N 0.00 2.59 -0.02 0.99 1.02 -1.22 -1.30 118.68 120.74 1xnt s LEU 144 Ca 0.00 -1.11 0.16 0.00 0.02 0.00 0.00 54.13 53.20 1xnt s LEU 144 Cb 0.00 -0.88 -0.20 0.00 0.02 0.00 0.00 46.19 45.14 1xnt s LEU 144 CO 0.00 -0.16 0.61 -1.20 0.02 0.00 0.00 176.35 175.62 1xnt n SER 145 N -0.61 0.64 -3.58 2.29 7.64 -0.61 -1.21 113.62 118.18 1xnt n SER 145 Ca -0.06 0.29 0.02 0.00 1.01 0.00 0.00 58.87 60.13 1xnt n SER 145 Cb 0.62 0.40 -0.01 0.00 -1.01 0.00 0.00 64.21 64.21 1xnt n SER 145 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1xnt s PHE 146 N -2.80 -0.00 0.01 1.43 -0.71 -1.25 -4.52 117.98 110.14 1xnt s PHE 146 Ca -0.05 -0.00 0.00 0.00 -1.04 0.00 0.00 56.93 55.84 1xnt s PHE 146 Cb 0.08 0.50 -0.01 0.00 -1.21 0.00 0.00 43.02 42.38 1xnt s PHE 146 CO 0.83 -0.01 -0.02 0.14 -1.34 0.00 0.00 175.22 174.82 1xnt s VAL 147 N -2.01 0.11 0.09 -2.49 -7.23 -1.26 -1.67 120.40 105.93 1xnt s VAL 147 Ca 0.14 -0.51 -0.12 0.00 -1.81 0.00 0.00 61.98 59.68 1xnt s VAL 147 Cb 0.05 -0.18 0.01 0.00 0.56 0.00 0.00 36.38 36.82 1xnt s VAL 147 CO -0.05 -0.26 0.28 -0.13 -0.31 0.00 0.00 175.10 174.63 1xnt s ARG 148 N -0.80 0.91 0.05 4.82 0.52 0.29 -4.89 118.95 119.84 1xnt s ARG 148 Ca -0.08 -0.80 -0.00 0.00 -0.52 0.00 0.00 55.73 54.33 1xnt s ARG 148 Cb -0.06 0.39 -0.03 0.00 0.52 0.00 0.00 34.95 35.77 1xnt s ARG 148 CO -0.00 -0.31 -0.04 -0.06 0.02 0.00 0.00 175.30 174.90 1xnt s PHE 149 N -3.61 0.50 -0.17 -0.53 0.08 -1.20 -0.81 117.98 112.23 1xnt s PHE 149 Ca 0.02 -0.83 -0.09 0.00 0.12 0.00 0.00 56.93 56.16 1xnt s PHE 149 Cb 0.03 -0.34 0.06 0.00 -0.57 0.00 0.00 43.02 42.20 1xnt s PHE 149 CO -0.10 -0.27 0.41 -3.38 -0.10 0.00 0.00 175.22 171.78 1xnt s HIS 150 N -2.89 -0.64 -2.00 0.36 -3.43 -0.29 -1.33 115.29 105.06 1xnt s HIS 150 Ca -0.01 1.33 0.31 0.00 -0.80 0.00 0.00 55.06 55.89 1xnt s HIS 150 Cb 0.00 0.27 1.87 0.00 -1.43 0.00 0.00 32.58 33.30 1xnt s HIS 150 CO -0.06 -0.37 2.20 0.45 -2.00 0.00 0.00 174.74 174.96