#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 3.99 -3.82 3.17 -0.04 -1.26 -4.87 135.00 132.17 1xnt n PRO 2 Ca 0.00 -2.84 -0.08 0.00 -0.04 0.00 0.00 63.50 60.54 1xnt n PRO 2 Cb 0.00 -2.60 0.02 0.00 -0.04 0.00 0.00 33.50 30.87 1xnt n PRO 2 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1xnt s GLU 3 N -0.07 2.11 -0.15 0.54 -1.05 -1.26 -4.76 118.70 114.06 1xnt s GLU 3 Ca 0.60 -1.33 0.01 0.00 -0.15 0.00 0.00 54.97 54.10 1xnt s GLU 3 Cb 0.21 0.61 0.00 0.00 -0.44 0.00 0.00 34.13 34.51 1xnt s GLU 3 CO -0.09 -0.98 -0.17 0.42 0.95 0.00 0.00 175.26 175.38 1xnt s ILE 4 N -2.53 2.44 0.33 1.83 1.01 0.58 -4.76 121.20 120.10 1xnt s ILE 4 Ca 0.15 -0.84 0.07 0.00 0.00 0.00 0.00 60.65 60.03 1xnt s ILE 4 Cb -0.05 -2.02 -0.02 0.00 0.01 0.00 0.00 42.46 40.38 1xnt s ILE 4 CO 0.10 0.52 0.33 -0.13 0.00 0.00 0.00 174.94 175.76 1xnt s ARG 5 N 0.87 2.83 -0.20 2.79 0.52 -1.26 -2.69 118.95 121.81 1xnt s ARG 5 Ca -0.05 -1.22 -0.13 0.00 -0.52 0.00 0.00 55.73 53.82 1xnt s ARG 5 Cb -0.15 -2.56 -0.05 0.00 0.52 0.00 0.00 34.95 32.71 1xnt s ARG 5 CO -0.02 0.11 0.25 -1.17 0.02 0.00 0.00 175.30 174.49 1xnt s LEU 6 N -4.03 4.18 -0.12 2.53 1.98 -1.26 -3.81 118.68 118.15 1xnt s LEU 6 Ca 0.41 0.35 -0.10 0.00 -2.89 0.00 0.00 54.13 51.90 1xnt s LEU 6 Cb -0.07 -2.28 -0.08 0.00 0.66 0.00 0.00 46.19 44.42 1xnt s LEU 6 CO 0.27 0.07 0.18 -0.09 -1.89 0.00 0.00 176.35 174.89 1xnt h ARG 7 N 7.06 0.00 -2.91 1.98 2.43 -1.73 -3.47 114.38 117.74 1xnt h ARG 7 Ca -0.39 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 58.82 1xnt h ARG 7 Cb 1.16 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 30.62 1xnt h ARG 7 CO 0.72 0.31 0.26 -3.38 -1.51 0.00 0.00 179.97 176.37 1xnt s HIS 8 N -1.87 -0.34 -1.01 2.20 -3.43 -1.26 -5.01 115.29 104.57 1xnt s HIS 8 Ca -0.09 0.02 -0.22 0.00 -0.80 0.00 0.00 55.06 53.97 1xnt s HIS 8 Cb -0.00 0.63 0.06 0.00 -1.43 0.00 0.00 32.58 31.84 1xnt s HIS 8 CO 0.24 -1.00 1.41 0.54 -2.00 0.00 0.00 174.74 173.92 1xnt s VAL 9 N -3.75 4.03 0.10 -5.38 0.11 -1.26 0.01 120.40 114.26 1xnt s VAL 9 Ca 0.06 -0.87 -0.33 0.00 -2.93 0.00 0.00 61.98 57.92 1xnt s VAL 9 Cb -0.03 -5.02 -0.14 0.00 -1.53 0.00 0.00 36.38 29.66 1xnt s VAL 9 CO -0.03 -1.88 1.58 1.62 -3.33 0.00 0.00 175.10 173.06 1xnt h VAL 10 N 6.67 0.12 -4.21 2.04 3.04 -1.74 -3.43 116.25 118.75 1xnt h VAL 10 Ca 0.19 0.00 -0.69 0.00 -1.01 0.00 0.00 66.70 65.19 1xnt h VAL 10 Cb 1.01 0.12 -0.25 0.00 -2.01 0.00 0.00 31.29 30.16 1xnt h VAL 10 CO 1.39 0.00 -0.84 -0.55 -1.01 0.00 0.00 177.57 176.55 1xnt s SER 11 N -4.55 3.46 -0.09 3.17 0.15 -0.22 -5.01 113.70 110.61 1xnt s SER 11 Ca -0.17 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.01 1xnt s SER 11 Cb 0.06 -0.47 0.02 0.00 -1.71 0.00 0.00 66.02 63.92 1xnt s SER 11 CO 0.62 0.28 -0.07 0.00 1.20 0.00 0.00 173.24 175.26 1xnt n SER 13 N 4.54 4.11 0.00 0.00 7.64 0.28 -4.85 113.62 125.34 1xnt n SER 13 Ca -0.16 -3.38 0.00 0.00 1.01 0.00 0.00 58.87 56.33 1xnt n SER 13 Cb 0.51 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 1xnt n SER 13 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1xnt n SER 14 N -0.62 0.00 -3.80 6.43 7.64 -1.07 -1.90 113.62 120.31 1xnt n SER 14 Ca 0.35 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 60.10 1xnt n SER 14 Cb 0.88 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.97 1xnt n SER 14 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1xnt s GLN 15 N 0.00 0.32 0.00 1.43 -0.44 -1.26 -3.90 119.66 115.81 1xnt s GLN 15 Ca 0.00 0.24 0.00 0.00 -2.50 0.00 0.00 55.36 53.10 1xnt s GLN 15 Cb 0.00 0.15 0.00 0.00 -1.64 0.00 0.00 33.01 31.52 1xnt s GLN 15 CO 0.00 -0.05 0.00 -0.25 0.50 0.00 0.00 175.29 175.49 1xnt n ASP 16 N 2.72 0.00 -0.05 6.67 8.00 -0.80 -3.34 116.55 129.75 1xnt n ASP 16 Ca -0.14 -0.45 -0.04 0.00 0.71 0.00 0.00 54.79 54.87 1xnt n ASP 16 Cb 0.58 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.66 1xnt n ASP 16 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1xnt n SER 17 N -1.35 1.12 0.00 -2.24 7.64 -1.26 -3.84 113.62 113.69 1xnt n SER 17 Ca 0.00 0.29 -0.12 0.00 1.01 0.00 0.00 58.87 60.05 1xnt n SER 17 Cb 0.00 -0.67 -0.06 0.00 -1.01 0.00 0.00 64.21 62.47 1xnt n SER 17 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1xnt h THR 18 N -0.59 1.11 -2.96 0.44 1.35 -2.00 -3.26 112.91 107.00 1xnt h THR 18 Ca 0.00 -0.31 -0.75 0.00 -0.55 0.00 0.00 66.41 64.80 1xnt h THR 18 Cb 0.50 1.19 -0.32 0.00 -1.73 0.00 0.00 68.15 67.79 1xnt h THR 18 CO 0.00 0.09 0.29 1.41 -0.25 0.00 0.00 175.52 177.06 1xnt n HIS 19 N -4.98 3.40 -2.61 4.73 8.25 -1.26 -4.99 115.22 117.76 1xnt n HIS 19 Ca -0.06 -3.41 -0.22 0.00 -0.26 0.00 0.00 57.72 53.76 1xnt n HIS 19 Cb 0.09 -1.17 0.04 0.00 1.12 0.00 0.00 29.99 30.07 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 0.01 1.18 0.00 0.00 0.00 -1.84 -1.47 119.26 117.14 1xnt h ALA 21 Ca -0.43 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1xnt h ALA 21 Cb 1.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1xnt h ALA 21 CO 0.55 0.09 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 -0.86 114.58 116.60 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 0.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.67 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 0.41 1.04 2.35 -1.54 -1.08 115.58 116.75 1xnt h ASN 23 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1xnt h ASN 23 Cb 0.17 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.54 1xnt h ASN 23 CO 0.00 0.00 -0.11 -0.07 -1.65 0.00 0.00 177.43 175.60 1xnt h LEU 24 N 0.00 0.00 -2.60 1.61 3.38 -1.35 -0.90 115.31 115.45 1xnt h LEU 24 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1xnt h LEU 24 Cb 0.26 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1xnt h LEU 24 CO 0.00 0.11 0.08 -0.07 0.09 0.00 0.00 178.44 178.65 1xnt h LEU 25 N 0.00 0.00 -6.03 1.67 -0.00 -1.38 -2.59 115.31 106.98 1xnt h LEU 25 Ca -0.00 0.00 -0.73 0.00 -0.00 0.00 0.00 57.88 57.15 1xnt h LEU 25 Cb 0.34 0.00 -0.33 0.00 -0.00 0.00 0.00 40.66 40.67 1xnt h LEU 25 CO 0.01 0.00 0.37 0.29 -0.00 0.00 0.00 178.44 179.11 1xnt n LYS 26 N -3.38 4.44 0.07 1.13 4.01 -0.34 -4.83 118.16 119.26 1xnt n LYS 26 Ca -0.02 -4.72 0.21 0.00 -0.51 0.00 0.00 58.31 53.27 1xnt n LYS 26 Cb 0.16 -2.39 0.71 0.00 -0.51 0.00 0.00 35.03 33.00 1xnt n LYS 26 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1xnt h ALA 27 N 3.98 2.17 -2.74 7.82 0.00 -1.65 -3.02 119.26 125.82 1xnt h ALA 27 Ca 0.35 -0.02 -0.63 0.00 0.00 0.00 0.00 54.91 54.61 1xnt h ALA 27 Cb 0.44 0.03 -0.41 0.00 0.00 0.00 0.00 17.79 17.85 1xnt h ALA 27 CO 1.06 -0.78 -0.48 -0.25 0.00 0.00 0.00 179.25 178.80 1xnt n ASP 28 N -3.58 3.51 0.00 0.00 9.92 -1.26 -4.90 116.55 120.24 1xnt n ASP 28 Ca 0.09 -3.29 0.00 0.00 -0.53 0.00 0.00 54.79 51.06 1xnt n ASP 28 Cb 0.73 -0.78 0.00 0.00 -0.64 0.00 0.00 41.12 40.43 1xnt n ASP 28 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1xnt n THR 29 N 1.62 0.00 -2.19 -3.53 -2.24 -1.14 -5.08 114.28 101.72 1xnt n THR 29 Ca 0.24 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 62.01 1xnt n THR 29 Cb 0.37 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.61 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 -0.11 -3.83 4.78 4.11 -1.26 -5.14 117.16 115.70 1xnt n TYR 30 Ca 0.00 -0.11 -0.13 0.00 -0.00 0.00 0.00 57.90 57.67 1xnt n TYR 30 Cb 0.00 0.51 -0.14 0.00 -0.00 0.00 0.00 39.34 39.71 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 0.06 0.39 -3.48 0.52 -1.26 -5.17 118.95 110.02 1xnt s ARG 31 Ca 0.00 0.13 0.03 0.00 -0.52 0.00 0.00 55.73 55.37 1xnt s ARG 31 Cb 0.02 -0.01 -0.01 0.00 0.52 0.00 0.00 34.95 35.47 1xnt s ARG 31 CO -0.01 -0.04 0.11 1.63 0.02 0.00 0.00 175.30 177.01 1xnt n LYS 32 N 3.28 0.66 -2.81 3.54 5.02 -1.26 -4.53 118.16 122.06 1xnt n LYS 32 Ca -0.15 -3.19 -0.40 0.00 -2.02 0.00 0.00 58.31 52.55 1xnt n LYS 32 Cb 0.58 1.57 -0.06 0.00 -0.02 0.00 0.00 35.03 37.09 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 -2.90 3.94 -0.09 2.13 -0.00 -0.06 -4.44 118.94 117.52 1xnt s TRP 33 Ca 0.15 1.84 -0.04 0.00 -0.00 0.00 0.00 56.10 58.05 1xnt s TRP 33 Cb 0.01 -2.92 0.04 0.00 -0.00 0.00 0.00 33.47 30.60 1xnt s TRP 33 CO 0.11 0.45 0.21 0.50 -0.00 0.00 0.00 176.95 178.22 1xnt s ARG 34 N -1.26 0.16 0.61 5.86 3.52 -1.18 -3.38 118.95 123.27 1xnt s ARG 34 Ca 0.41 0.49 -0.18 0.00 -0.13 0.00 0.00 55.73 56.32 1xnt s ARG 34 Cb -0.25 -0.14 -0.07 0.00 -1.56 0.00 0.00 34.95 32.93 1xnt s ARG 34 CO 0.30 -0.18 0.58 0.00 -0.81 0.00 0.00 175.30 175.20 1xnt n ALA 35 N 4.33 -1.04 0.27 6.12 0.00 -0.38 -1.90 120.51 127.90 1xnt n ALA 35 Ca -0.24 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.25 1xnt n ALA 35 Cb 0.52 -1.87 0.75 0.00 0.00 0.00 0.00 19.45 18.85 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 0.14 1.53 -3.64 0.00 0.00 -1.67 -3.31 119.26 112.31 1xnt h ALA 36 Ca -0.46 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1xnt h ALA 36 Cb 1.38 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1xnt h ALA 36 CO 0.46 0.09 0.00 0.36 0.00 0.00 0.00 179.25 180.17 1xnt n LYS 37 N -3.95 1.34 -3.39 0.00 0.00 -1.26 -4.64 118.16 106.25 1xnt n LYS 37 Ca -0.03 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.06 1xnt n LYS 37 Cb 0.16 0.00 0.03 0.00 -0.00 0.00 0.00 35.03 35.23 1xnt n LYS 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1xnt s ALA 38 N -2.00 4.61 0.00 0.58 0.00 -1.26 -4.40 121.76 119.29 1xnt s ALA 38 Ca 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 51.96 50.18 1xnt s ALA 38 Cb 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 23.12 21.97 1xnt s ALA 38 CO 0.00 -0.70 0.00 0.41 0.00 0.00 0.00 175.76 175.47 1xnt n GLY 39 N -2.05 2.94 2.77 0.00 0.00 -1.25 -4.69 105.19 102.91 1xnt n GLY 39 Ca 0.09 -0.06 -0.06 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 -2.69 -0.05 1.61 -0.58 -1.26 -3.53 120.64 114.14 1xnt n GLU 40 Ca 0.00 0.05 -0.08 0.00 -0.42 0.00 0.00 57.16 56.71 1xnt n GLU 40 Cb 0.00 -4.57 -0.02 0.00 -0.57 0.00 0.00 31.44 26.28 1xnt n GLU 40 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 1xnt h LYS 41 N -0.13 -0.22 -1.98 3.49 3.11 -1.84 -3.35 116.57 115.65 1xnt h LYS 41 Ca -0.09 0.02 0.03 0.00 -2.81 0.00 0.00 60.65 57.79 1xnt h LYS 41 Cb 1.06 0.05 -0.21 0.00 -1.00 0.00 0.00 32.23 32.13 1xnt h LYS 41 CO 0.14 -0.15 0.02 0.95 -2.81 0.00 0.00 179.45 177.60 1xnt s THR 42 N -6.09 -0.06 0.00 1.00 -4.23 -1.26 -2.40 115.64 102.61 1xnt s THR 42 Ca -0.15 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 60.41 1xnt s THR 42 Cb 0.12 -1.00 -0.01 0.00 1.34 0.00 0.00 72.50 72.95 1xnt s THR 42 CO 0.68 0.00 -0.13 0.27 -0.54 0.00 0.00 174.62 174.90 1xnt s ILE 43 N 1.70 1.03 -0.00 2.99 -4.36 -0.58 -4.99 121.20 117.00 1xnt s ILE 43 Ca -0.10 -0.68 0.06 0.00 -0.26 0.00 0.00 60.65 59.67 1xnt s ILE 43 Cb -0.05 -0.89 -0.02 0.00 1.25 0.00 0.00 42.46 42.75 1xnt s ILE 43 CO -0.20 0.20 -0.18 -0.44 0.24 0.00 0.00 174.94 174.56 1xnt s SER 44 N -0.55 2.16 -0.20 4.36 0.01 -0.80 -0.01 113.70 118.67 1xnt s SER 44 Ca 0.04 -0.37 -0.04 0.00 1.31 0.00 0.00 55.95 56.89 1xnt s SER 44 Cb -0.06 -0.22 0.10 0.00 0.21 0.00 0.00 66.02 66.05 1xnt s SER 44 CO 0.00 0.20 0.25 0.54 0.41 0.00 0.00 173.24 174.64 1xnt s VAL 45 N -0.52 -0.38 -0.25 3.43 0.11 0.16 0.99 120.40 123.95 1xnt s VAL 45 Ca 0.07 -0.08 -0.20 0.00 -2.93 0.00 0.00 61.98 58.84 1xnt s VAL 45 Cb -0.07 -0.68 -0.02 0.00 -1.53 0.00 0.00 36.38 34.07 1xnt s VAL 45 CO -0.00 -0.17 0.60 -0.69 -3.33 0.00 0.00 175.10 171.51 1xnt s VAL 46 N 2.37 5.01 0.20 2.04 1.01 0.13 -0.87 120.40 130.30 1xnt s VAL 46 Ca 0.07 1.06 0.04 0.00 0.00 0.00 0.00 61.98 63.15 1xnt s VAL 46 Cb -0.15 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 1xnt s VAL 46 CO -0.12 0.05 0.32 -0.76 0.00 0.00 0.00 175.10 174.59 1xnt s LEU 47 N 2.41 4.32 -0.02 3.92 1.02 0.60 -1.06 118.68 129.88 1xnt s LEU 47 Ca 0.25 0.11 -0.03 0.00 0.02 0.00 0.00 54.13 54.48 1xnt s LEU 47 Cb -0.16 -2.88 -0.04 0.00 0.02 0.00 0.00 46.19 43.14 1xnt s LEU 47 CO 0.09 -0.01 0.18 -1.58 0.02 0.00 0.00 176.35 175.05 1xnt s GLN 48 N -3.63 3.45 -0.08 1.70 2.00 0.10 -1.49 119.66 121.71 1xnt s GLN 48 Ca 0.34 -0.29 -0.09 0.00 -2.00 0.00 0.00 55.36 53.32 1xnt s GLN 48 Cb -0.10 -3.10 -0.05 0.00 0.80 0.00 0.00 33.01 30.56 1xnt s GLN 48 CO 0.29 0.68 0.22 -0.51 -0.50 0.00 0.00 175.29 175.47 1xnt s LEU 49 N -1.86 4.41 0.00 3.68 2.01 0.34 -2.12 118.68 125.15 1xnt s LEU 49 Ca 0.26 0.61 0.00 0.00 0.01 0.00 0.00 54.13 55.02 1xnt s LEU 49 Cb -0.13 -2.26 0.00 0.00 0.01 0.00 0.00 46.19 43.82 1xnt s LEU 49 CO 0.17 0.38 1.33 1.21 1.01 0.00 0.00 176.35 180.45 1xnt n GLU 50 N 1.87 0.96 0.00 1.70 2.13 -1.25 -4.73 120.64 121.32 1xnt n GLU 50 Ca -0.18 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.64 1xnt n GLU 50 Cb 0.54 -1.02 0.00 0.00 0.27 0.00 0.00 31.44 31.23 1xnt n GLU 50 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1xnt n LYS 51 N 0.90 0.00 -2.32 5.31 2.85 -1.26 -5.06 118.16 118.58 1xnt n LYS 51 Ca 0.00 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 56.85 1xnt n LYS 51 Cb 0.48 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.83 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 -0.84 3.08 0.23 -1.58 2.12 -1.26 -4.55 118.70 115.90 1xnt s GLU 52 Ca 0.00 0.35 0.03 0.00 0.36 0.00 0.00 54.97 55.71 1xnt s GLU 52 Cb 0.00 -4.22 -0.05 0.00 0.26 0.00 0.00 34.13 30.12 1xnt s GLU 52 CO 0.00 -2.22 0.00 -1.83 -0.54 0.00 0.00 175.26 170.68 1xnt s GLU 53 N 6.01 1.33 0.76 4.30 4.04 0.29 -4.64 118.70 130.79 1xnt s GLU 53 Ca 0.53 -1.68 -0.13 0.00 0.04 0.00 0.00 54.97 53.73 1xnt s GLU 53 Cb -0.11 -0.59 0.18 0.00 0.02 0.00 0.00 34.13 33.63 1xnt s GLU 53 CO 0.21 -0.11 0.88 1.04 -1.84 0.00 0.00 175.26 175.45 1xnt n GLN 54 N -0.42 -1.53 -4.50 -4.83 6.02 -1.26 0.38 117.38 111.25 1xnt n GLN 54 Ca -0.05 -1.38 -0.24 0.00 -0.01 0.00 0.00 57.00 55.32 1xnt n GLN 54 Cb 0.64 -1.05 -0.09 0.00 1.02 0.00 0.00 30.24 30.76 1xnt n GLN 54 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1xnt s ILE 55 N -2.82 0.84 0.00 5.09 -1.09 0.14 -4.61 121.20 118.75 1xnt s ILE 55 Ca 0.52 -2.00 0.00 0.00 -2.23 0.00 0.00 60.65 56.94 1xnt s ILE 55 Cb -0.03 -2.51 0.00 0.00 -1.58 0.00 0.00 42.46 38.35 1xnt s ILE 55 CO 0.38 0.00 0.00 1.57 -1.23 0.00 0.00 174.94 175.66 1xnt n HIS 56 N -0.84 -0.16 -3.84 3.97 -0.00 -1.24 -4.39 115.22 108.73 1xnt n HIS 56 Ca -0.05 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.01 1xnt n HIS 56 Cb 0.66 0.03 -0.11 0.00 -0.12 0.00 0.00 29.99 30.45 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 -1.17 -0.08 0.20 0.26 0.01 -0.24 -2.01 113.70 110.66 1xnt s SER 57 Ca 0.00 0.06 0.04 0.00 1.31 0.00 0.00 55.95 57.36 1xnt s SER 57 Cb 0.00 0.29 -0.05 0.00 0.21 0.00 0.00 66.02 66.47 1xnt s SER 57 CO 0.00 -0.25 -0.05 -0.69 0.41 0.00 0.00 173.24 172.66 1xnt s VAL 58 N -0.76 1.16 -0.04 3.43 1.01 -0.28 -0.86 120.40 124.06 1xnt s VAL 58 Ca -0.08 -2.06 0.02 0.00 0.00 0.00 0.00 61.98 59.85 1xnt s VAL 58 Cb -0.05 -2.17 0.01 0.00 0.00 0.00 0.00 36.38 34.18 1xnt s VAL 58 CO 0.01 -0.48 -0.06 -0.62 0.00 0.00 0.00 175.10 173.95 1xnt s ASP 59 N -3.27 1.04 -0.21 3.32 -1.08 0.26 0.02 116.67 116.76 1xnt s ASP 59 Ca 0.24 -0.15 -0.12 0.00 -0.52 0.00 0.00 52.55 52.00 1xnt s ASP 59 Cb 0.04 -0.43 0.07 0.00 -1.46 0.00 0.00 42.92 41.14 1xnt s ASP 59 CO 0.06 -0.01 0.51 -0.63 0.52 0.00 0.00 175.17 175.62 1xnt s ILE 60 N 0.64 -0.03 -0.26 4.11 1.09 -0.48 0.52 121.20 126.79 1xnt s ILE 60 Ca -0.09 0.06 -0.11 0.00 -1.10 0.00 0.00 60.65 59.41 1xnt s ILE 60 Cb -0.12 -0.75 -0.05 0.00 -1.06 0.00 0.00 42.46 40.48 1xnt s ILE 60 CO 0.01 0.03 0.20 -0.83 -0.10 0.00 0.00 174.94 174.24 1xnt s GLY 61 N 1.50 1.96 -0.21 6.18 0.00 -0.61 -1.30 107.32 114.84 1xnt s GLY 61 Ca -0.10 -0.94 -0.29 0.00 0.00 0.00 0.00 44.72 43.39 1xnt s GLY 61 CO -0.15 0.56 1.31 0.54 0.00 0.00 0.00 173.10 175.36 1xnt s ASN 62 N 1.37 6.81 -1.05 1.64 2.20 -0.22 -0.11 114.94 125.59 1xnt s ASN 62 Ca 0.09 1.53 -0.05 0.00 -0.94 0.00 0.00 52.86 53.49 1xnt s ASN 62 Cb -0.15 -2.54 0.29 0.00 -2.00 0.00 0.00 41.25 36.86 1xnt s ASN 62 CO 0.08 -0.91 1.27 -0.67 -2.94 0.00 0.00 177.10 173.93 1xnt n ASP 63 N 7.10 5.82 -0.27 3.54 2.03 -0.21 -2.53 116.55 132.02 1xnt n ASP 63 Ca 0.15 -3.29 -0.03 0.00 0.52 0.00 0.00 54.79 52.14 1xnt n ASP 63 Cb 0.45 -1.24 -0.01 0.00 -0.72 0.00 0.00 41.12 39.60 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 1.75 0.55 3.92 0.27 0.00 -1.05 -2.62 105.19 108.01 1xnt n GLY 64 Ca 0.25 -0.90 -0.29 0.00 0.00 0.00 0.00 46.02 45.09 1xnt n GLY 64 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xnt s SER 65 N -2.95 6.41 -0.03 1.61 1.04 -1.25 -4.79 113.70 113.74 1xnt s SER 65 Ca 0.00 0.42 -0.04 0.00 0.48 0.00 0.00 55.95 56.81 1xnt s SER 65 Cb 0.00 -2.02 -0.03 0.00 0.10 0.00 0.00 66.02 64.07 1xnt s SER 65 CO 0.00 0.01 -0.10 0.00 0.98 0.00 0.00 173.24 174.13 1xnt n ALA 66 N -0.36 2.45 -2.85 5.32 0.00 -1.26 -3.62 120.51 120.20 1xnt n ALA 66 Ca -0.04 -0.27 -0.34 0.00 0.00 0.00 0.00 53.44 52.78 1xnt n ALA 66 Cb 0.53 0.30 -0.11 0.00 0.00 0.00 0.00 19.45 20.17 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 -2.20 3.14 -0.18 0.00 0.08 0.09 0.29 117.98 119.22 1xnt s PHE 67 Ca -0.10 -0.05 -0.02 0.00 0.12 0.00 0.00 56.93 56.88 1xnt s PHE 67 Cb 0.03 -1.96 0.05 0.00 -0.57 0.00 0.00 43.02 40.57 1xnt s PHE 67 CO 0.13 0.15 0.01 0.08 -0.10 0.00 0.00 175.22 175.50 1xnt s VAL 68 N 0.07 0.65 0.03 -0.44 1.01 -0.18 0.32 120.40 121.85 1xnt s VAL 68 Ca 0.02 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.51 1xnt s VAL 68 Cb -0.13 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 1xnt s VAL 68 CO 0.02 -0.09 0.02 -0.70 0.00 0.00 0.00 175.10 174.34 1xnt s GLU 69 N 1.81 2.76 -0.05 2.72 2.12 -0.07 0.34 118.70 128.34 1xnt s GLU 69 Ca -0.00 -0.66 0.01 0.00 0.36 0.00 0.00 54.97 54.68 1xnt s GLU 69 Cb -0.16 -2.66 0.02 0.00 0.26 0.00 0.00 34.13 31.59 1xnt s GLU 69 CO -0.07 0.60 -0.05 0.08 -0.54 0.00 0.00 175.26 175.27 1xnt s VAL 70 N -1.18 0.61 0.25 3.70 1.01 -0.61 -1.38 120.40 122.81 1xnt s VAL 70 Ca 0.22 -0.16 0.10 0.00 0.00 0.00 0.00 61.98 62.15 1xnt s VAL 70 Cb -0.12 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 1xnt s VAL 70 CO 0.14 0.25 -0.07 -0.76 0.00 0.00 0.00 175.10 174.65 1xnt s LEU 71 N 0.96 3.00 0.20 3.92 1.02 -0.27 -1.70 118.68 125.81 1xnt s LEU 71 Ca -0.10 -0.73 0.11 0.00 0.02 0.00 0.00 54.13 53.43 1xnt s LEU 71 Cb -0.14 -1.55 -0.04 0.00 0.02 0.00 0.00 46.19 44.47 1xnt s LEU 71 CO 0.00 0.03 -0.23 0.68 0.02 0.00 0.00 176.35 176.85 1xnt s VAL 72 N -2.24 2.42 0.02 -1.59 -7.23 -0.26 -1.35 120.40 110.17 1xnt s VAL 72 Ca 0.30 -2.02 -0.29 0.00 -1.81 0.00 0.00 61.98 58.16 1xnt s VAL 72 Cb -0.07 -2.17 0.11 0.00 0.56 0.00 0.00 36.38 34.81 1xnt s VAL 72 CO 0.18 -0.13 1.24 -0.83 -0.31 0.00 0.00 175.10 175.25 1xnt s GLY 73 N -2.72 -0.28 0.20 2.32 0.00 -0.52 -0.18 107.32 106.15 1xnt s GLY 73 Ca 0.21 0.38 0.09 0.00 0.00 0.00 0.00 44.72 45.40 1xnt s GLY 73 CO 0.10 1.78 -0.09 -0.45 0.00 0.00 0.00 173.10 174.44 1xnt s SER 74 N -3.24 4.23 0.25 1.64 0.15 -1.26 0.28 113.70 115.75 1xnt s SER 74 Ca 0.19 -0.62 0.20 0.00 0.70 0.00 0.00 55.95 56.41 1xnt s SER 74 Cb 0.02 -0.70 0.96 0.00 -1.71 0.00 0.00 66.02 64.60 1xnt s SER 74 CO -0.02 0.09 1.60 -1.54 1.20 0.00 0.00 173.24 174.57 1xnt n SER 75 N -0.12 0.51 -4.75 5.45 3.41 -1.26 -4.70 113.62 112.16 1xnt n SER 75 Ca -0.10 0.69 -0.36 0.00 -0.26 0.00 0.00 58.87 58.84 1xnt n SER 75 Cb 0.56 -0.77 0.04 0.00 -0.26 0.00 0.00 64.21 63.78 1xnt n SER 75 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xnt s ALA 76 N -3.39 2.51 0.00 7.33 0.00 -1.26 -4.32 121.76 122.63 1xnt s ALA 76 Ca 0.00 1.04 0.00 0.00 0.00 0.00 0.00 51.96 53.01 1xnt s ALA 76 Cb 0.07 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.72 1xnt s ALA 76 CO 0.24 -1.25 0.00 0.41 0.00 0.00 0.00 175.76 175.16 1xnt n GLY 77 N 0.57 1.50 0.00 0.00 0.00 -1.26 -4.88 105.19 101.12 1xnt n GLY 77 Ca 0.14 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 0.00 -1.98 0.22 -0.02 0.00 -1.26 -4.99 105.19 97.16 1xnt n GLY 78 Ca 0.00 0.72 -0.13 0.00 0.00 0.00 0.00 46.02 46.61 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 0.00 -0.47 -1.76 4.61 0.00 -1.94 -3.48 119.26 116.22 1xnt h ALA 79 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1xnt h ALA 79 Cb 0.00 0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1xnt h ALA 79 CO 0.00 -0.60 0.00 0.41 0.00 0.00 0.00 179.25 179.06 1xnt n GLY 80 N -0.38 0.53 0.58 0.00 0.00 -1.26 -5.04 105.19 99.63 1xnt n GLY 80 Ca -0.10 -0.39 -0.03 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.88 0.18 -1.21 1.61 -0.58 -1.26 -4.71 120.64 113.78 1xnt n GLU 81 Ca 0.00 0.07 -0.23 0.00 -0.42 0.00 0.00 57.16 56.58 1xnt n GLU 81 Cb 0.41 -0.73 0.17 0.00 -0.57 0.00 0.00 31.44 30.72 1xnt n GLU 81 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 1xnt n GLN 82 N -3.53 2.25 -0.76 3.49 -0.06 -1.26 -4.36 117.38 113.15 1xnt n GLN 82 Ca -0.05 -3.05 -0.01 0.00 -2.00 0.00 0.00 57.00 51.90 1xnt n GLN 82 Cb 0.17 -2.16 0.20 0.00 -4.06 0.00 0.00 30.24 24.39 1xnt n GLN 82 CO 0.00 0.00 0.00 -3.47 -0.20 0.00 0.00 177.06 173.39 1xnt n ASP 83 N -1.13 2.20 -4.42 1.69 2.03 -1.26 -5.00 116.55 110.65 1xnt n ASP 83 Ca 0.58 -3.85 -0.27 0.00 0.52 0.00 0.00 54.79 51.77 1xnt n ASP 83 Cb 1.57 -0.59 -0.12 0.00 -0.72 0.00 0.00 41.12 41.26 1xnt n ASP 83 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1xnt s TYR 84 N -3.26 2.30 -0.00 -0.67 1.51 -1.26 -4.56 117.35 111.40 1xnt s TYR 84 Ca 0.42 -0.36 0.01 0.00 -1.01 0.00 0.00 57.07 56.13 1xnt s TYR 84 Cb 0.39 -1.14 -0.04 0.00 -0.11 0.00 0.00 41.96 41.06 1xnt s TYR 84 CO -0.03 0.49 0.04 -2.00 -1.11 0.00 0.00 175.55 172.94 1xnt s GLU 85 N -2.65 2.92 -1.04 -0.62 2.56 0.75 -4.84 118.70 115.78 1xnt s GLU 85 Ca 0.20 -0.55 -0.24 0.00 0.00 0.00 0.00 54.97 54.38 1xnt s GLU 85 Cb -0.08 -2.76 -0.08 0.00 2.00 0.00 0.00 34.13 33.21 1xnt s GLU 85 CO 0.10 0.64 1.97 0.08 -0.56 0.00 0.00 175.26 177.49 1xnt s VAL 86 N -1.14 3.45 0.07 3.70 1.01 -1.26 -1.10 120.40 125.13 1xnt s VAL 86 Ca 0.21 -0.59 -0.37 0.00 0.00 0.00 0.00 61.98 61.24 1xnt s VAL 86 Cb -0.12 -4.22 -0.19 0.00 0.00 0.00 0.00 36.38 31.86 1xnt s VAL 86 CO 0.12 -0.87 1.57 0.25 0.00 0.00 0.00 175.10 176.17 1xnt h LEU 87 N 18.33 -1.24 -7.49 3.92 5.85 -1.84 -3.42 115.31 129.41 1xnt h LEU 87 Ca 0.14 0.07 -0.42 0.00 0.84 0.00 0.00 57.88 58.52 1xnt h LEU 87 Cb 0.97 0.37 -0.38 0.00 0.37 0.00 0.00 40.66 42.00 1xnt h LEU 87 CO 1.19 -0.73 -0.76 -1.48 -0.34 0.00 0.00 178.44 176.32 1xnt s LEU 88 N -10.06 0.64 0.00 2.25 0.05 -0.69 -1.34 118.68 109.53 1xnt s LEU 88 Ca -0.19 -0.07 -0.16 0.00 0.05 0.00 0.00 54.13 53.76 1xnt s LEU 88 Cb 0.03 -0.39 0.26 0.00 -2.05 0.00 0.00 46.19 44.03 1xnt s LEU 88 CO 0.61 -0.18 0.58 1.33 -0.55 0.00 0.00 176.35 178.13 1xnt n VAL 89 N 5.01 0.00 -2.15 1.48 0.24 -1.26 -1.57 118.33 120.08 1xnt n VAL 89 Ca -0.09 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.79 1xnt n VAL 89 Cb 0.50 -0.66 -0.03 0.00 -1.47 0.00 0.00 33.84 32.19 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 -1.98 2.99 -0.20 3.34 -1.32 -1.26 -4.23 115.64 112.99 1xnt s THR 90 Ca 0.45 0.84 -0.07 0.00 -1.21 0.00 0.00 61.69 61.70 1xnt s THR 90 Cb -0.08 -3.54 -0.04 0.00 -1.51 0.00 0.00 72.50 67.33 1xnt s THR 90 CO 0.37 0.14 0.06 -0.94 -2.21 0.00 0.00 174.62 172.04 1xnt s SER 91 N 0.23 5.46 -0.81 8.08 1.04 0.15 -4.69 113.70 123.17 1xnt s SER 91 Ca 0.56 0.00 -0.23 0.00 0.48 0.00 0.00 55.95 56.77 1xnt s SER 91 Cb -0.38 -1.94 0.07 0.00 0.10 0.00 0.00 66.02 63.87 1xnt s SER 91 CO 0.41 0.13 1.16 -0.94 0.98 0.00 0.00 173.24 174.98 1xnt s SER 92 N 0.65 6.34 -0.18 7.02 1.04 -1.25 -1.01 113.70 126.32 1xnt s SER 92 Ca 0.03 -1.22 -0.19 0.00 0.48 0.00 0.00 55.95 55.04 1xnt s SER 92 Cb -0.13 -2.47 -0.16 0.00 0.10 0.00 0.00 66.02 63.35 1xnt s SER 92 CO 0.02 -1.44 0.24 -0.26 0.98 0.00 0.00 173.24 172.77 1xnt h PHE 93 N 9.53 0.00 -4.24 5.02 0.04 -0.44 -3.49 116.94 123.35 1xnt h PHE 93 Ca -0.09 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.50 1xnt h PHE 93 Cb 1.04 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.16 1xnt h PHE 93 CO 1.11 1.03 -0.13 -1.33 -0.60 0.00 0.00 178.31 178.39 1xnt n MET 94 N -4.52 1.61 -4.78 1.51 2.81 -1.23 -5.04 117.12 107.48 1xnt n MET 94 Ca -0.21 -1.02 -0.34 0.00 -1.81 0.00 0.00 57.70 54.32 1xnt n MET 94 Cb 0.52 0.29 -0.07 0.00 -0.71 0.00 0.00 33.22 33.25 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 -1.77 4.16 -0.02 7.83 1.04 -1.26 -4.54 113.70 119.14 1xnt s SER 95 Ca 0.00 -1.70 0.06 0.00 0.48 0.00 0.00 55.95 54.79 1xnt s SER 95 Cb 0.00 0.67 0.21 0.00 0.10 0.00 0.00 66.02 67.00 1xnt s SER 95 CO 0.00 -0.92 1.07 -0.81 0.98 0.00 0.00 173.24 173.56 1xnt n PRO 96 N -1.31 1.72 0.02 4.02 -0.04 -1.26 -3.67 135.00 134.48 1xnt n PRO 96 Ca -0.21 -0.84 0.00 0.00 -0.04 0.00 0.00 63.50 62.41 1xnt n PRO 96 Cb 0.67 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.78 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 0.16 0.36 0.19 3.54 7.64 -1.26 -4.66 113.62 119.59 1xnt n SER 97 Ca 0.08 0.05 0.14 0.00 1.01 0.00 0.00 58.87 60.14 1xnt n SER 97 Cb 0.30 -0.11 0.67 0.00 -1.01 0.00 0.00 64.21 64.06 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 -0.03 1.43 4.11 -1.90 -2.69 114.58 115.50 1xnt h GLU 98 Ca 0.00 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.44 1xnt h GLU 98 Cb 0.67 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.92 1xnt h GLU 98 CO 0.00 0.00 0.17 1.03 0.07 0.00 0.00 179.01 180.28 1xnt h SER 99 N 0.00 0.00 0.00 3.06 0.87 -1.79 -2.19 113.55 113.50 1xnt h SER 99 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1xnt h SER 99 Cb 0.15 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 1xnt h SER 99 CO 0.00 0.00 0.00 -2.11 -0.53 0.00 0.00 176.83 174.19 1xnt n ARG 100 N -3.13 0.00 -2.27 2.24 1.85 -1.01 -4.56 116.66 109.78 1xnt n ARG 100 Ca -0.02 0.00 -0.03 0.00 -1.00 0.00 0.00 57.85 56.81 1xnt n ARG 100 Cb 0.24 -0.09 0.08 0.00 -1.05 0.00 0.00 32.46 31.65 1xnt n ARG 100 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1xnt n SER 101 N -0.19 -1.25 0.02 2.89 2.88 -1.25 -4.55 113.62 112.18 1xnt n SER 101 Ca 0.00 -2.04 0.10 0.00 -1.33 0.00 0.00 58.87 55.59 1xnt n SER 101 Cb 0.00 0.56 -0.11 0.00 -0.75 0.00 0.00 64.21 63.91 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 -1.15 -1.16 0.08 0.46 0.00 -1.26 -4.96 105.19 97.20 1xnt n GLY 102 Ca -0.18 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1xnt n GLY 102 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xnt n SER 103 N -2.45 0.00 -3.56 1.61 7.64 -1.26 -5.02 113.62 110.58 1xnt n SER 103 Ca -0.04 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.55 1xnt n SER 103 Cb 0.60 0.02 -0.12 0.00 -1.01 0.00 0.00 64.21 63.70 1xnt n SER 103 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1xnt s ASN 104 N 1.77 3.09 0.44 6.43 4.22 -1.26 -4.95 114.94 124.67 1xnt s ASN 104 Ca 0.00 -2.53 0.23 0.00 -2.14 0.00 0.00 52.86 48.42 1xnt s ASN 104 Cb 0.00 -0.69 0.42 0.00 1.28 0.00 0.00 41.25 42.26 1xnt s ASN 104 CO 0.00 -0.27 1.63 1.55 -2.04 0.00 0.00 177.10 177.98 1xnt h PRO 105 N 6.67 0.00 -4.30 3.55 0.13 -1.63 -3.41 132.00 133.01 1xnt h PRO 105 Ca 0.06 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.72 1xnt h PRO 105 Cb 0.94 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.73 1xnt h PRO 105 CO 0.38 0.05 -0.80 -0.80 -0.23 0.00 0.00 178.00 176.60 1xnt s ASN 106 N -6.19 1.50 0.30 1.44 0.02 -1.26 -2.53 114.94 108.22 1xnt s ASN 106 Ca 0.06 -0.23 -0.17 0.00 -1.02 0.00 0.00 52.86 51.50 1xnt s ASN 106 Cb 0.06 -0.68 0.02 0.00 0.02 0.00 0.00 41.25 40.67 1xnt s ASN 106 CO 0.66 -0.02 0.68 -0.60 0.02 0.00 0.00 177.10 177.85 1xnt s ARG 107 N 0.89 1.87 -0.01 -0.60 3.52 -1.05 -5.01 118.95 118.56 1xnt s ARG 107 Ca -0.11 -1.20 -0.00 0.00 -0.13 0.00 0.00 55.73 54.29 1xnt s ARG 107 Cb -0.15 0.58 0.01 0.00 -1.56 0.00 0.00 34.95 33.83 1xnt s ARG 107 CO 0.01 -0.85 0.02 0.14 -0.81 0.00 0.00 175.30 173.81 1xnt s VAL 108 N -3.48 -0.02 0.37 7.11 -7.23 -1.26 -1.05 120.40 114.83 1xnt s VAL 108 Ca 0.15 0.07 0.05 0.00 -1.81 0.00 0.00 61.98 60.45 1xnt s VAL 108 Cb -0.05 -0.04 -0.02 0.00 0.56 0.00 0.00 36.38 36.83 1xnt s VAL 108 CO 0.09 0.03 0.19 0.54 -0.31 0.00 0.00 175.10 175.64 1xnt n ARG 109 N 3.46 0.52 -4.23 4.82 5.12 -0.42 -4.86 116.66 121.07 1xnt n ARG 109 Ca -0.17 -3.28 -0.18 0.00 -1.93 0.00 0.00 57.85 52.29 1xnt n ARG 109 Cb 0.57 2.09 -0.07 0.00 -1.16 0.00 0.00 32.46 33.88 1xnt n ARG 109 CO 0.00 0.00 0.00 -1.64 -1.93 0.00 0.00 177.63 174.06 1xnt s MET 110 N -3.43 1.75 0.20 5.56 -1.94 -1.26 -1.38 119.30 118.80 1xnt s MET 110 Ca 0.26 -1.92 0.01 0.00 -1.71 0.00 0.00 55.69 52.33 1xnt s MET 110 Cb 0.01 0.35 -0.05 0.00 2.01 0.00 0.00 34.83 37.16 1xnt s MET 110 CO 0.19 -0.66 0.05 -0.06 -0.01 0.00 0.00 175.02 174.52 1xnt s PHE 111 N -3.41 1.30 0.00 -0.03 0.40 0.10 -4.93 117.98 111.42 1xnt s PHE 111 Ca 0.38 -1.12 0.00 0.00 -0.60 0.00 0.00 56.93 55.59 1xnt s PHE 111 Cb 0.02 -0.74 0.00 0.00 0.51 0.00 0.00 43.02 42.81 1xnt s PHE 111 CO 0.25 -0.31 0.00 0.41 0.70 0.00 0.00 175.22 176.27 1xnt n GLY 112 N -0.31 5.03 0.15 4.36 0.00 -1.26 -1.13 105.19 112.02 1xnt n GLY 112 Ca -0.04 -1.15 0.01 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.86 1.61 0.13 -1.71 -3.08 132.00 128.09 1xnt h PRO 113 Ca 0.00 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 65.28 1xnt h PRO 113 Cb 0.00 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.03 1xnt h PRO 113 CO 0.00 0.57 0.44 0.22 -0.23 0.00 0.00 178.00 179.00 1xnt h ASP 114 N 0.00 0.53 -0.47 1.44 3.58 -1.96 -1.51 116.42 118.03 1xnt h ASP 114 Ca -0.01 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.54 1xnt h ASP 114 Cb 1.15 0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.22 1xnt h ASP 114 CO 0.07 0.21 0.00 0.29 -2.88 0.00 0.00 179.24 176.93 1xnt n LYS 115 N -4.88 2.75 -4.23 0.28 4.76 -1.23 -4.92 118.16 110.70 1xnt n LYS 115 Ca 0.18 -2.24 -0.34 0.00 -2.87 0.00 0.00 58.31 53.04 1xnt n LYS 115 Cb 0.45 -1.38 -0.15 0.00 -1.84 0.00 0.00 35.03 32.12 1xnt n LYS 115 CO 0.00 0.00 0.00 -0.48 -1.37 0.00 0.00 177.40 175.55 1xnt s LEU 116 N -1.01 2.47 0.19 -0.35 0.05 -0.57 -3.61 118.68 115.85 1xnt s LEU 116 Ca 0.32 -0.51 -0.32 0.00 0.05 0.00 0.00 54.13 53.67 1xnt s LEU 116 Cb 0.17 -1.58 -0.15 0.00 -2.05 0.00 0.00 46.19 42.57 1xnt s LEU 116 CO 0.22 0.03 1.22 0.55 -0.55 0.00 0.00 176.35 177.82 1xnt n VAL 117 N 4.44 0.90 -0.12 1.48 3.14 -0.45 -4.75 118.33 122.97 1xnt n VAL 117 Ca -0.19 -0.22 -0.13 0.00 -2.96 0.00 0.00 64.34 60.83 1xnt n VAL 117 Cb 0.51 -1.00 -0.02 0.00 -1.06 0.00 0.00 33.84 32.27 1xnt n VAL 117 CO 0.00 0.00 0.00 0.03 -6.46 0.00 0.00 176.83 170.40 1xnt h ARG 118 N 3.59 0.87 -0.97 1.45 3.08 -1.93 1.06 114.38 121.53 1xnt h ARG 118 Ca -0.44 -0.42 0.05 0.00 0.07 0.00 0.00 59.98 59.24 1xnt h ARG 118 Cb 1.33 -0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.32 1xnt h ARG 118 CO 0.72 1.07 0.63 0.00 -1.07 0.00 0.00 179.97 181.31 1xnt h ALA 119 N 0.78 1.41 0.05 0.04 0.00 -1.99 -2.94 119.26 116.59 1xnt h ALA 119 Ca 0.07 -0.04 -0.35 0.00 0.00 0.00 0.00 54.91 54.60 1xnt h ALA 119 Cb 0.87 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1xnt h ALA 119 CO 0.08 0.48 -2.03 0.00 0.00 0.00 0.00 179.25 177.77 1xnt n ALA 120 N -2.38 1.26 -0.39 0.00 0.00 -1.16 -4.01 120.51 113.83 1xnt n ALA 120 Ca 0.14 -0.84 0.37 0.00 0.00 0.00 0.00 53.44 53.12 1xnt n ALA 120 Cb 0.14 -0.58 0.74 0.00 0.00 0.00 0.00 19.45 19.76 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 0.50 3.17 -0.44 0.00 0.00 0.13 1.02 119.26 123.64 1xnt h ALA 121 Ca -0.42 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.46 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 0.05 -1.56 0.00 -0.85 0.00 0.00 0.00 179.25 176.89 1xnt n GLU 122 N -4.19 3.51 -3.59 0.00 0.28 -1.13 0.26 120.64 115.78 1xnt n GLU 122 Ca 0.29 -2.78 -0.36 0.00 -0.16 0.00 0.00 57.16 54.15 1xnt n GLU 122 Cb 1.36 -1.84 -0.07 0.00 1.43 0.00 0.00 31.44 32.32 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 -2.22 4.13 -0.47 3.44 -0.14 0.35 -4.84 119.74 119.99 1xnt s LYS 123 Ca 0.44 0.06 -0.27 0.00 -1.36 0.00 0.00 55.97 54.84 1xnt s LYS 123 Cb 0.31 -3.38 -0.03 0.00 -1.68 0.00 0.00 37.83 33.05 1xnt s LYS 123 CO 0.16 0.35 2.01 1.03 -0.76 0.00 0.00 175.35 178.14 1xnt s ARG 124 N 0.14 2.74 0.09 1.68 0.52 -1.26 -3.98 118.95 118.88 1xnt s ARG 124 Ca 0.16 1.16 0.04 0.00 -0.52 0.00 0.00 55.73 56.58 1xnt s ARG 124 Cb -0.13 -4.38 -0.04 0.00 0.52 0.00 0.00 34.95 30.92 1xnt s ARG 124 CO 0.04 -2.57 0.02 -1.58 0.02 0.00 0.00 175.30 171.23 1xnt s TRP 125 N 9.18 3.03 0.00 -0.53 0.52 0.16 -4.63 118.94 126.66 1xnt s TRP 125 Ca 0.81 -0.01 0.00 0.00 0.02 0.00 0.00 56.10 56.93 1xnt s TRP 125 Cb -0.18 -1.55 0.00 0.00 -1.15 0.00 0.00 33.47 30.58 1xnt s TRP 125 CO 0.27 0.49 0.48 -3.47 0.02 0.00 0.00 176.95 174.74 1xnt n ASP 126 N 0.54 0.79 -3.94 2.95 2.03 -0.04 -0.55 116.55 118.33 1xnt n ASP 126 Ca -0.10 -1.23 -0.10 0.00 0.52 0.00 0.00 54.79 53.88 1xnt n ASP 126 Cb 0.52 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.81 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 -0.23 0.36 -0.00 -0.67 0.52 0.14 -0.50 118.95 118.57 1xnt s ARG 127 Ca 0.00 -0.51 -0.00 0.00 -0.52 0.00 0.00 55.73 54.70 1xnt s ARG 127 Cb 0.00 0.14 0.00 0.00 0.52 0.00 0.00 34.95 35.61 1xnt s ARG 127 CO 0.00 -0.07 0.01 0.54 0.02 0.00 0.00 175.30 175.80 1xnt s VAL 128 N -1.37 0.01 -0.29 3.52 0.11 -0.56 -1.43 120.40 120.38 1xnt s VAL 128 Ca -0.15 -0.06 -0.08 0.00 -2.93 0.00 0.00 61.98 58.76 1xnt s VAL 128 Cb -0.09 -0.04 -0.01 0.00 -1.53 0.00 0.00 36.38 34.71 1xnt s VAL 128 CO -0.00 -0.03 0.10 -0.75 -3.33 0.00 0.00 175.10 171.09 1xnt s LYS 129 N -0.09 3.36 -0.34 1.54 2.20 -0.45 -0.29 119.74 125.67 1xnt s LYS 129 Ca -0.01 -0.69 -0.08 0.00 -0.36 0.00 0.00 55.97 54.83 1xnt s LYS 129 Cb -0.01 -3.43 0.03 0.00 -1.51 0.00 0.00 37.83 32.91 1xnt s LYS 129 CO -0.00 -0.35 0.13 0.42 -0.36 0.00 0.00 175.35 175.18 1xnt s ILE 130 N 1.58 4.09 -0.18 5.43 -1.09 -0.04 -1.11 121.20 129.87 1xnt s ILE 130 Ca 0.05 -0.91 0.01 0.00 -2.23 0.00 0.00 60.65 57.56 1xnt s ILE 130 Cb -0.16 -3.24 0.02 0.00 -1.58 0.00 0.00 42.46 37.49 1xnt s ILE 130 CO 0.04 -0.12 -0.19 -0.69 -1.23 0.00 0.00 174.94 172.75 1xnt s VAL 131 N 1.48 2.13 0.12 2.92 1.01 -0.48 0.40 120.40 127.98 1xnt s VAL 131 Ca 0.01 -0.92 -0.05 0.00 0.00 0.00 0.00 61.98 61.02 1xnt s VAL 131 Cb -0.19 -1.89 -0.05 0.00 0.00 0.00 0.00 36.38 34.25 1xnt s VAL 131 CO 0.04 0.53 0.36 0.00 0.00 0.00 0.00 175.10 176.04 1xnt s SER 133 N -2.31 -0.08 0.00 0.00 0.15 0.15 -1.53 113.70 110.08 1xnt s SER 133 Ca 0.39 0.25 0.00 0.00 0.70 0.00 0.00 55.95 57.29 1xnt s SER 133 Cb -0.12 0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.33 1xnt s SER 133 CO 0.23 -0.14 0.00 1.67 1.20 0.00 0.00 173.24 176.20 1xnt n GLN 134 N 4.13 0.00 -2.75 5.44 -0.06 -1.01 -0.73 117.38 122.40 1xnt n GLN 134 Ca -0.26 0.00 -0.42 0.00 -2.00 0.00 0.00 57.00 54.32 1xnt n GLN 134 Cb 0.52 0.00 -0.04 0.00 -4.06 0.00 0.00 30.24 26.66 1xnt n GLN 134 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 1xnt s PRO 135 N -2.06 3.15 -0.28 3.69 0.04 -1.25 -4.22 135.00 134.08 1xnt s PRO 135 Ca 0.00 -0.60 0.16 0.00 0.04 0.00 0.00 61.00 60.61 1xnt s PRO 135 Cb 0.00 -4.20 0.49 0.00 0.04 0.00 0.00 34.50 30.83 1xnt s PRO 135 CO 0.00 -1.91 1.14 2.48 0.04 0.00 0.00 177.00 178.75 1xnt n TYR 136 N 8.25 1.89 -3.57 0.56 0.18 -1.23 -4.89 117.16 118.36 1xnt n TYR 136 Ca -0.01 -2.20 0.00 0.00 1.88 0.00 0.00 57.90 57.57 1xnt n TYR 136 Cb 0.47 -0.28 0.00 0.00 -0.38 0.00 0.00 39.34 39.15 1xnt n TYR 136 CO 0.00 0.00 0.00 0.43 -2.08 0.00 0.00 176.86 175.21 1xnt n SER 137 N -0.63 0.00 0.00 9.48 7.64 -1.24 -4.94 113.62 123.93 1xnt n SER 137 Ca 0.22 -0.88 0.00 0.00 1.01 0.00 0.00 58.87 59.22 1xnt n SER 137 Cb 0.87 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.07 1xnt n SER 137 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1xnt n LYS 138 N 0.00 0.00 -0.08 1.43 4.76 -1.26 -3.92 118.16 119.09 1xnt n LYS 138 Ca 0.00 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.34 1xnt n LYS 138 Cb 0.00 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.10 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 -0.78 2.27 -4.69 4.39 5.75 -1.26 -3.78 116.55 118.45 1xnt n ASP 139 Ca 0.00 -0.05 -0.34 0.00 -0.01 0.00 0.00 54.79 54.39 1xnt n ASP 139 Cb 0.00 0.19 -0.09 0.00 -1.03 0.00 0.00 41.12 40.19 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 -5.23 5.23 0.81 -1.12 1.04 -1.26 -4.71 113.70 108.45 1xnt s SER 140 Ca -0.16 0.09 -0.05 0.00 0.48 0.00 0.00 55.95 56.30 1xnt s SER 140 Cb 0.05 -1.43 0.12 0.00 0.10 0.00 0.00 66.02 64.85 1xnt s SER 140 CO 0.46 0.33 0.73 -0.81 0.98 0.00 0.00 173.24 174.93 1xnt n PRO 141 N 1.78 -0.35 -3.06 4.02 -0.04 -1.26 -3.98 135.00 132.11 1xnt n PRO 141 Ca -0.17 -1.48 0.00 0.00 -0.04 0.00 0.00 63.50 61.81 1xnt n PRO 141 Cb 0.53 -0.65 0.00 0.00 -0.04 0.00 0.00 33.50 33.35 1xnt n PRO 141 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1xnt n PHE 142 N -2.75 0.00 0.00 0.54 3.72 -1.26 -4.90 117.46 112.82 1xnt n PHE 142 Ca 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 1xnt n PHE 142 Cb 0.37 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.91 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 -0.10 3.61 1.37 0.00 -1.08 -1.25 105.19 107.74 1xnt n GLY 143 Ca 0.00 -0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 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 3.07 -0.13 0.99 1.02 -1.22 -1.05 118.68 121.36 1xnt s LEU 144 Ca 0.00 -0.68 0.18 0.00 0.02 0.00 0.00 54.13 53.64 1xnt s LEU 144 Cb 0.00 -1.62 -0.25 0.00 0.02 0.00 0.00 46.19 44.34 1xnt s LEU 144 CO 0.00 0.03 0.28 -1.20 0.02 0.00 0.00 176.35 175.47 1xnt n SER 145 N -0.67 0.21 -3.65 2.29 7.64 0.85 -0.88 113.62 119.41 1xnt n SER 145 Ca -0.07 0.10 0.02 0.00 1.01 0.00 0.00 58.87 59.93 1xnt n SER 145 Cb 0.58 0.88 -0.00 0.00 -1.01 0.00 0.00 64.21 64.66 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 -2.67 -0.02 -0.14 1.43 -0.12 -1.25 -4.60 117.98 110.62 1xnt s PHE 146 Ca -0.08 -0.07 -0.12 0.00 -0.05 0.00 0.00 56.93 56.61 1xnt s PHE 146 Cb 0.07 0.54 0.04 0.00 -0.63 0.00 0.00 43.02 43.05 1xnt s PHE 146 CO 0.84 -0.24 0.37 0.14 -0.05 0.00 0.00 175.22 176.28 1xnt s VAL 147 N -2.29 -0.01 -0.21 -2.49 -7.23 -1.26 -1.57 120.40 105.34 1xnt s VAL 147 Ca 0.17 0.03 -0.04 0.00 -1.81 0.00 0.00 61.98 60.33 1xnt s VAL 147 Cb 0.04 -0.52 0.09 0.00 0.56 0.00 0.00 36.38 36.55 1xnt s VAL 147 CO -0.04 0.01 0.20 -0.13 -0.31 0.00 0.00 175.10 174.83 1xnt s ARG 148 N 0.47 0.18 0.39 4.82 1.81 0.18 -4.87 118.95 121.94 1xnt s ARG 148 Ca -0.02 0.07 -0.09 0.00 -1.72 0.00 0.00 55.73 53.97 1xnt s ARG 148 Cb -0.04 -1.28 -0.06 0.00 -0.45 0.00 0.00 34.95 33.12 1xnt s ARG 148 CO -0.02 -0.71 0.73 -0.06 -0.68 0.00 0.00 175.30 174.56 1xnt s PHE 149 N 2.28 3.48 -0.23 -0.53 0.08 -1.09 0.93 117.98 122.89 1xnt s PHE 149 Ca 0.06 0.96 -0.10 0.00 0.12 0.00 0.00 56.93 57.97 1xnt s PHE 149 Cb -0.16 -2.37 0.09 0.00 -0.57 0.00 0.00 43.02 40.01 1xnt s PHE 149 CO -0.15 -0.07 0.53 -3.38 -0.10 0.00 0.00 175.22 172.05 1xnt s HIS 150 N -2.34 -0.93 -2.37 0.36 -3.43 -0.04 -0.31 115.29 106.23 1xnt s HIS 150 Ca 0.50 1.78 0.29 0.00 -0.80 0.00 0.00 55.06 56.82 1xnt s HIS 150 Cb -0.10 0.48 1.28 0.00 -1.43 0.00 0.00 32.58 32.80 1xnt s HIS 150 CO 0.32 -0.50 1.87 0.45 -2.00 0.00 0.00 174.74 174.89