#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 1.80 -3.67 0.03 -0.04 -1.26 -4.89 135.00 126.96 1xnt n PRO 2 Ca 0.00 -1.65 -0.09 0.00 -0.04 0.00 0.00 63.50 61.72 1xnt n PRO 2 Cb 0.00 -1.65 -0.02 0.00 -0.04 0.00 0.00 33.50 31.79 1xnt n PRO 2 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1xnt s GLU 3 N -1.89 1.54 -0.21 0.54 2.12 -1.26 -4.75 118.70 114.80 1xnt s GLU 3 Ca 0.32 -0.76 -0.04 0.00 0.36 0.00 0.00 54.97 54.85 1xnt s GLU 3 Cb 0.26 0.59 -0.02 0.00 0.26 0.00 0.00 34.13 35.22 1xnt s GLU 3 CO 0.02 -0.70 -0.02 0.42 -0.54 0.00 0.00 175.26 174.43 1xnt s ILE 4 N -3.81 3.62 0.36 -3.70 1.01 0.21 -4.76 121.20 114.12 1xnt s ILE 4 Ca 0.07 -0.42 0.07 0.00 0.00 0.00 0.00 60.65 60.38 1xnt s ILE 4 Cb -0.04 -2.64 -0.02 0.00 0.01 0.00 0.00 42.46 39.77 1xnt s ILE 4 CO -0.02 0.42 0.35 -0.60 0.00 0.00 0.00 174.94 175.10 1xnt s ARG 5 N 1.26 2.75 0.25 2.79 6.06 -1.26 -3.23 118.95 127.57 1xnt s ARG 5 Ca 0.03 -1.30 0.06 0.00 -2.50 0.00 0.00 55.73 52.03 1xnt s ARG 5 Cb -0.14 -2.52 -0.03 0.00 0.06 0.00 0.00 34.95 32.31 1xnt s ARG 5 CO -0.00 0.01 0.25 -0.51 -2.50 0.00 0.00 175.30 172.55 1xnt s LEU 6 N -4.07 3.97 -0.10 -0.88 1.02 -1.26 -3.09 118.68 114.28 1xnt s LEU 6 Ca 0.44 -0.15 -0.08 0.00 0.02 0.00 0.00 54.13 54.36 1xnt s LEU 6 Cb -0.06 -2.51 -0.05 0.00 0.02 0.00 0.00 46.19 43.59 1xnt s LEU 6 CO 0.28 -0.06 -0.17 -1.14 0.02 0.00 0.00 176.35 175.27 1xnt n ARG 7 N -1.26 0.28 -3.64 1.70 3.00 -0.55 -4.69 116.66 111.50 1xnt n ARG 7 Ca -0.08 0.12 -0.09 0.00 -0.00 0.00 0.00 57.85 57.80 1xnt n ARG 7 Cb 0.58 -0.97 -0.02 0.00 0.00 0.00 0.00 32.46 32.04 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 -2.33 -0.36 -0.92 -0.14 -3.43 -1.25 -5.01 115.29 101.86 1xnt s HIS 8 Ca -0.17 0.03 -0.24 0.00 -0.80 0.00 0.00 55.06 53.87 1xnt s HIS 8 Cb 0.05 0.63 0.04 0.00 -1.43 0.00 0.00 32.58 31.87 1xnt s HIS 8 CO 0.23 -1.02 1.39 0.54 -2.00 0.00 0.00 174.74 173.89 1xnt s VAL 9 N -3.78 3.84 0.10 -5.38 0.11 -1.26 -0.26 120.40 113.77 1xnt s VAL 9 Ca 0.06 -0.34 -0.33 0.00 -2.93 0.00 0.00 61.98 58.45 1xnt s VAL 9 Cb -0.03 -5.00 -0.13 0.00 -1.53 0.00 0.00 36.38 29.69 1xnt s VAL 9 CO -0.03 -1.90 1.58 1.62 -3.33 0.00 0.00 175.10 173.04 1xnt h VAL 10 N 6.53 0.13 -3.65 2.04 3.04 -1.70 -3.43 116.25 119.21 1xnt h VAL 10 Ca 0.03 0.00 -0.65 0.00 -1.01 0.00 0.00 66.70 65.07 1xnt h VAL 10 Cb 1.02 0.13 -0.21 0.00 -2.01 0.00 0.00 31.29 30.23 1xnt h VAL 10 CO 1.37 0.00 -0.84 -0.55 -1.01 0.00 0.00 177.57 176.54 1xnt s SER 11 N -4.57 3.21 -0.08 3.17 0.15 -0.20 -5.01 113.70 110.37 1xnt s SER 11 Ca -0.17 -0.79 -0.03 0.00 0.70 0.00 0.00 55.95 55.66 1xnt s SER 11 Cb 0.06 -0.22 0.05 0.00 -1.71 0.00 0.00 66.02 64.20 1xnt s SER 11 CO 0.62 0.13 0.17 0.00 1.20 0.00 0.00 173.24 175.36 1xnt n SER 13 N 4.85 4.55 0.00 0.00 2.88 0.22 -4.83 113.62 121.29 1xnt n SER 13 Ca -0.14 -3.64 0.00 0.00 -1.33 0.00 0.00 58.87 53.76 1xnt n SER 13 Cb 0.51 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.54 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 -0.54 0.00 -3.85 -3.46 7.64 -1.10 -1.92 113.62 110.37 1xnt n SER 14 Ca 0.38 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 60.15 1xnt n SER 14 Cb 0.78 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.86 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 0.22 0.00 1.43 -0.44 -1.26 -3.92 119.66 115.69 1xnt s GLN 15 Ca 0.00 -0.03 0.00 0.00 -2.50 0.00 0.00 55.36 52.83 1xnt s GLN 15 Cb 0.00 0.10 0.00 0.00 -1.64 0.00 0.00 33.01 31.47 1xnt s GLN 15 CO 0.00 -0.04 0.00 -3.47 0.50 0.00 0.00 175.29 172.28 1xnt n ASP 16 N 2.55 0.00 -0.10 6.67 2.03 -0.75 -3.31 116.55 123.65 1xnt n ASP 16 Ca -0.16 -0.19 -0.14 0.00 0.52 0.00 0.00 54.79 54.82 1xnt n ASP 16 Cb 0.58 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.93 1xnt n ASP 16 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1xnt n SER 17 N -0.58 1.93 0.17 1.67 3.41 -1.26 -4.06 113.62 114.89 1xnt n SER 17 Ca 0.00 0.37 -0.07 0.00 -0.26 0.00 0.00 58.87 58.91 1xnt n SER 17 Cb 0.00 -0.78 -0.03 0.00 -0.26 0.00 0.00 64.21 63.13 1xnt n SER 17 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1xnt h THR 18 N -1.00 0.00 -1.69 6.66 1.35 -1.99 -3.32 112.91 112.93 1xnt h THR 18 Ca -0.17 -0.26 -0.77 0.00 -0.55 0.00 0.00 66.41 64.66 1xnt h THR 18 Cb 1.09 0.00 -0.18 0.00 -1.73 0.00 0.00 68.15 67.33 1xnt h THR 18 CO -0.10 0.00 1.81 1.41 -0.25 0.00 0.00 175.52 178.38 1xnt n HIS 19 N -3.96 2.68 -2.06 4.73 8.25 -1.26 -4.92 115.22 118.68 1xnt n HIS 19 Ca -0.06 -2.73 -0.28 0.00 -0.26 0.00 0.00 57.72 54.40 1xnt n HIS 19 Cb 0.18 -1.71 0.10 0.00 1.12 0.00 0.00 29.99 29.68 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 -0.97 1.29 0.00 0.00 0.00 -1.84 -1.24 119.26 116.50 1xnt h ALA 21 Ca -0.45 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1xnt h ALA 21 Cb 1.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1xnt h ALA 21 CO 0.57 0.09 0.00 1.49 0.00 0.00 0.00 179.25 181.40 1xnt h GLU 22 N 0.00 0.00 0.00 0.00 4.81 -1.92 -0.70 114.58 116.77 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 0.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.60 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 0.44 1.04 2.35 -1.49 -1.15 115.58 116.77 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 0.14 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 1xnt h ASN 23 CO 0.00 0.00 -0.17 -0.07 -1.65 0.00 0.00 177.43 175.54 1xnt h LEU 24 N 0.00 0.00 -2.35 1.61 3.38 -1.31 -1.04 115.31 115.59 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 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1xnt h LEU 24 CO 0.00 0.17 0.00 -0.07 0.09 0.00 0.00 178.44 178.63 1xnt h LEU 25 N 0.00 0.00 -6.23 1.67 -0.00 -1.39 -3.00 115.31 106.36 1xnt h LEU 25 Ca -0.00 0.00 -0.68 0.00 -0.00 0.00 0.00 57.88 57.20 1xnt h LEU 25 Cb 0.43 0.00 -0.37 0.00 -0.00 0.00 0.00 40.66 40.73 1xnt h LEU 25 CO 0.02 0.00 -0.04 0.29 -0.00 0.00 0.00 178.44 178.71 1xnt n LYS 26 N -2.88 3.53 -0.21 1.13 4.01 -0.39 -4.88 118.16 118.45 1xnt n LYS 26 Ca -0.02 -4.68 0.02 0.00 -0.51 0.00 0.00 58.31 53.12 1xnt n LYS 26 Cb 0.11 -2.35 0.13 0.00 -0.51 0.00 0.00 35.03 32.41 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 4.30 0.79 -1.10 7.82 0.00 -1.71 -3.07 119.26 126.29 1xnt h ALA 27 Ca 0.23 0.14 -0.73 0.00 0.00 0.00 0.00 54.91 54.55 1xnt h ALA 27 Cb 0.58 0.18 -0.13 0.00 0.00 0.00 0.00 17.79 18.42 1xnt h ALA 27 CO 1.01 -0.30 1.94 -3.47 0.00 0.00 0.00 179.25 178.43 1xnt n ASP 28 N -5.12 4.96 0.00 0.00 2.03 -1.26 -4.83 116.55 112.33 1xnt n ASP 28 Ca 0.10 -2.98 0.00 0.00 0.52 0.00 0.00 54.79 52.44 1xnt n ASP 28 Cb 0.36 -1.60 0.00 0.00 -0.72 0.00 0.00 41.12 39.15 1xnt n ASP 28 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1xnt n THR 29 N 4.80 0.00 -2.33 5.18 -1.04 -1.16 -5.06 114.28 114.67 1xnt n THR 29 Ca 0.42 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 62.38 1xnt n THR 29 Cb 0.42 0.00 0.06 0.00 -1.82 0.00 0.00 70.33 68.99 1xnt n THR 29 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xnt n TYR 30 N 0.00 1.27 -3.68 -1.42 4.11 -1.26 -5.01 117.16 111.16 1xnt n TYR 30 Ca 0.00 -1.75 -0.17 0.00 -0.00 0.00 0.00 57.90 55.98 1xnt n TYR 30 Cb 0.00 -0.25 -0.16 0.00 -0.00 0.00 0.00 39.34 38.93 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 -2.94 0.01 0.00 -3.48 0.52 -1.26 -5.15 118.95 106.65 1xnt s ARG 31 Ca 0.37 0.49 0.00 0.00 -0.52 0.00 0.00 55.73 56.07 1xnt s ARG 31 Cb 0.37 -0.32 0.00 0.00 0.52 0.00 0.00 34.95 35.52 1xnt s ARG 31 CO -0.05 -0.29 0.00 1.63 0.02 0.00 0.00 175.30 176.61 1xnt n LYS 32 N 5.15 2.58 -2.86 3.54 4.76 -1.26 -4.46 118.16 125.62 1xnt n LYS 32 Ca -0.08 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 54.97 1xnt n LYS 32 Cb 0.50 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.63 1xnt n LYS 32 CO 0.00 0.00 0.00 -0.46 -1.37 0.00 0.00 177.40 175.57 1xnt s TRP 33 N 0.45 3.94 -0.05 2.13 -0.00 -0.20 -4.47 118.94 120.74 1xnt s TRP 33 Ca 0.00 1.78 -0.02 0.00 -0.00 0.00 0.00 56.10 57.86 1xnt s TRP 33 Cb 0.00 -2.89 0.04 0.00 -0.00 0.00 0.00 33.47 30.62 1xnt s TRP 33 CO 0.00 0.47 0.09 0.50 -0.00 0.00 0.00 176.95 178.01 1xnt s ARG 34 N -1.10 -0.01 0.56 5.86 6.06 -0.93 -3.13 118.95 126.27 1xnt s ARG 34 Ca 0.39 0.36 -0.19 0.00 -2.50 0.00 0.00 55.73 53.78 1xnt s ARG 34 Cb -0.25 -0.31 -0.07 0.00 0.06 0.00 0.00 34.95 34.38 1xnt s ARG 34 CO 0.29 -0.24 0.82 0.00 -2.50 0.00 0.00 175.30 173.67 1xnt n ALA 35 N 4.73 -0.29 0.34 6.12 0.00 0.09 -1.81 120.51 129.70 1xnt n ALA 35 Ca -0.16 0.03 0.23 0.00 0.00 0.00 0.00 53.44 53.54 1xnt n ALA 35 Cb 0.50 -2.01 1.21 0.00 0.00 0.00 0.00 19.45 19.16 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 0.56 1.03 -3.39 0.00 0.00 -1.67 -3.35 119.26 112.44 1xnt h ALA 36 Ca -0.47 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.35 1xnt h ALA 36 Cb 1.37 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 1xnt h ALA 36 CO 0.50 -0.00 -0.09 0.36 0.00 0.00 0.00 179.25 180.02 1xnt n LYS 37 N -3.11 0.17 -0.18 0.00 2.85 -1.26 -4.72 118.16 111.91 1xnt n LYS 37 Ca -0.03 -0.61 0.00 0.00 -1.05 0.00 0.00 58.31 56.62 1xnt n LYS 37 Cb 0.07 0.48 0.00 0.00 -0.65 0.00 0.00 35.03 34.93 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 -2.59 0.00 -3.31 0.58 0.00 -1.26 -4.30 120.51 109.63 1xnt n ALA 38 Ca -0.02 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.24 1xnt n ALA 38 Cb 0.11 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.63 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 -0.24 3.53 0.00 0.00 -1.23 -4.75 105.19 107.49 1xnt n GLY 39 Ca 0.00 0.05 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.93 0.25 -0.12 1.61 -0.58 -1.26 -4.62 120.64 112.00 1xnt n GLU 40 Ca -0.08 -0.34 -0.24 0.00 -0.42 0.00 0.00 57.16 56.08 1xnt n GLU 40 Cb 0.58 -2.16 -0.08 0.00 -0.57 0.00 0.00 31.44 29.21 1xnt n GLU 40 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1xnt n LYS 41 N 7.05 0.50 -3.43 3.49 3.00 -1.26 -2.66 118.16 124.86 1xnt n LYS 41 Ca 0.59 0.22 -0.00 0.00 -0.00 0.00 0.00 58.31 59.12 1xnt n LYS 41 Cb 0.26 -1.35 -0.03 0.00 0.00 0.00 0.00 35.03 33.91 1xnt n LYS 41 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1xnt s THR 42 N -2.46 -0.95 0.11 3.15 -4.23 -1.26 -1.26 115.64 108.74 1xnt s THR 42 Ca -0.33 0.01 0.10 0.00 -1.18 0.00 0.00 61.69 60.29 1xnt s THR 42 Cb 0.12 -0.96 -0.04 0.00 1.34 0.00 0.00 72.50 72.96 1xnt s THR 42 CO 0.42 -0.00 -0.26 0.27 -0.54 0.00 0.00 174.62 174.50 1xnt s ILE 43 N 2.84 2.18 0.06 2.99 -4.36 -0.40 -4.98 121.20 119.53 1xnt s ILE 43 Ca 0.06 -1.65 0.07 0.00 -0.26 0.00 0.00 60.65 58.87 1xnt s ILE 43 Cb -0.13 -1.92 -0.03 0.00 1.25 0.00 0.00 42.46 41.63 1xnt s ILE 43 CO -0.19 0.14 -0.20 -0.44 0.24 0.00 0.00 174.94 174.49 1xnt s SER 44 N -1.85 2.34 -0.26 4.36 0.01 -0.81 -0.34 113.70 117.15 1xnt s SER 44 Ca 0.13 -0.57 -0.01 0.00 1.31 0.00 0.00 55.95 56.80 1xnt s SER 44 Cb -0.10 -0.16 0.15 0.00 0.21 0.00 0.00 66.02 66.12 1xnt s SER 44 CO 0.05 0.10 0.41 0.54 0.41 0.00 0.00 173.24 174.74 1xnt s VAL 45 N -0.95 -0.65 -0.25 3.43 0.11 0.19 0.71 120.40 122.99 1xnt s VAL 45 Ca 0.06 -0.13 -0.18 0.00 -2.93 0.00 0.00 61.98 58.80 1xnt s VAL 45 Cb -0.09 -0.88 -0.03 0.00 -1.53 0.00 0.00 36.38 33.85 1xnt s VAL 45 CO 0.03 -0.16 0.51 -0.69 -3.33 0.00 0.00 175.10 171.45 1xnt s VAL 46 N 2.57 5.08 0.27 2.04 1.01 0.12 -1.14 120.40 130.35 1xnt s VAL 46 Ca 0.12 0.88 0.04 0.00 0.00 0.00 0.00 61.98 63.03 1xnt s VAL 46 Cb -0.14 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 1xnt s VAL 46 CO -0.21 0.11 0.41 -0.76 0.00 0.00 0.00 175.10 174.65 1xnt s LEU 47 N 2.13 4.24 -0.15 3.92 1.02 0.63 -1.03 118.68 129.44 1xnt s LEU 47 Ca 0.21 0.15 -0.05 0.00 0.02 0.00 0.00 54.13 54.46 1xnt s LEU 47 Cb -0.16 -2.96 -0.03 0.00 0.02 0.00 0.00 46.19 43.06 1xnt s LEU 47 CO 0.09 -0.13 0.01 -1.58 0.02 0.00 0.00 176.35 174.76 1xnt s GLN 48 N -4.06 3.69 0.16 1.70 -0.44 0.64 -1.39 119.66 119.95 1xnt s GLN 48 Ca 0.36 -0.42 -0.28 0.00 -2.50 0.00 0.00 55.36 52.52 1xnt s GLN 48 Cb -0.09 -3.02 -0.08 0.00 -1.64 0.00 0.00 33.01 28.18 1xnt s GLN 48 CO 0.31 0.34 0.87 -0.51 0.50 0.00 0.00 175.29 176.79 1xnt s LEU 49 N 0.13 4.58 -0.04 3.68 2.01 0.98 -1.48 118.68 128.54 1xnt s LEU 49 Ca 0.02 1.75 -0.00 0.00 0.01 0.00 0.00 54.13 55.91 1xnt s LEU 49 Cb -0.13 -3.45 0.03 0.00 0.01 0.00 0.00 46.19 42.65 1xnt s LEU 49 CO 0.02 0.11 1.90 -1.84 1.01 0.00 0.00 176.35 177.55 1xnt n GLU 50 N 1.95 1.09 0.00 1.70 0.28 -1.18 -4.70 120.64 119.79 1xnt n GLU 50 Ca -0.02 -0.19 0.00 0.00 -0.16 0.00 0.00 57.16 56.79 1xnt n GLU 50 Cb 0.48 -1.07 0.00 0.00 1.43 0.00 0.00 31.44 32.28 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 1.26 0.00 -2.38 3.44 2.85 -1.26 -5.02 118.16 117.04 1xnt n LYS 51 Ca 0.04 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.87 1xnt n LYS 51 Cb 0.52 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.87 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 -0.25 3.45 0.35 -1.58 2.12 -1.26 -4.63 118.70 116.89 1xnt s GLU 52 Ca 0.00 0.68 0.07 0.00 0.36 0.00 0.00 54.97 56.08 1xnt s GLU 52 Cb 0.00 -4.07 -0.03 0.00 0.26 0.00 0.00 34.13 30.29 1xnt s GLU 52 CO 0.00 -1.74 0.25 -1.83 -0.54 0.00 0.00 175.26 171.40 1xnt s GLU 53 N 5.19 1.80 0.68 4.30 4.04 0.13 -4.70 118.70 130.16 1xnt s GLU 53 Ca 0.56 -2.06 -0.02 0.00 0.04 0.00 0.00 54.97 53.49 1xnt s GLU 53 Cb -0.12 0.16 0.10 0.00 0.02 0.00 0.00 34.13 34.29 1xnt s GLU 53 CO 0.29 -0.63 0.95 -0.65 -1.84 0.00 0.00 175.26 173.38 1xnt s GLN 54 N -3.48 1.92 -0.12 -4.83 -0.21 -1.26 0.39 119.66 112.07 1xnt s GLN 54 Ca 0.37 -0.89 -0.01 0.00 0.02 0.00 0.00 55.36 54.86 1xnt s GLN 54 Cb 0.02 -2.33 0.03 0.00 1.00 0.00 0.00 33.01 31.73 1xnt s GLN 54 CO 0.25 -1.27 -0.06 0.42 -2.12 0.00 0.00 175.29 172.51 1xnt s ILE 55 N -3.09 0.97 -0.09 1.08 1.09 -0.45 -4.47 121.20 116.23 1xnt s ILE 55 Ca 0.63 -0.31 0.09 0.00 -1.10 0.00 0.00 60.65 59.97 1xnt s ILE 55 Cb -0.07 -1.03 -0.13 0.00 -1.06 0.00 0.00 42.46 40.17 1xnt s ILE 55 CO 0.43 0.31 0.05 1.57 -0.10 0.00 0.00 174.94 177.20 1xnt n HIS 56 N 4.96 0.00 -3.88 3.97 -0.00 -1.13 -4.61 115.22 114.53 1xnt n HIS 56 Ca -0.12 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 57.96 1xnt n HIS 56 Cb 0.50 -0.48 -0.09 0.00 -0.12 0.00 0.00 29.99 29.80 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 -4.18 0.08 0.11 0.26 0.01 -0.16 -0.67 113.70 109.16 1xnt s SER 57 Ca -0.05 -0.41 -0.00 0.00 1.31 0.00 0.00 55.95 56.80 1xnt s SER 57 Cb 0.03 0.26 -0.04 0.00 0.21 0.00 0.00 66.02 66.48 1xnt s SER 57 CO 0.42 -0.53 0.02 -0.69 0.41 0.00 0.00 173.24 172.87 1xnt s VAL 58 N -2.49 0.25 -0.09 3.43 1.01 -0.51 -1.26 120.40 120.74 1xnt s VAL 58 Ca -0.06 -1.90 -0.04 0.00 0.00 0.00 0.00 61.98 59.99 1xnt s VAL 58 Cb -0.02 -1.90 0.05 0.00 0.00 0.00 0.00 36.38 34.51 1xnt s VAL 58 CO -0.04 -0.63 0.20 -1.81 0.00 0.00 0.00 175.10 172.83 1xnt s ASP 59 N -3.03 0.12 -0.11 3.32 1.11 -0.43 0.17 116.67 117.82 1xnt s ASP 59 Ca 0.19 0.43 -0.09 0.00 0.18 0.00 0.00 52.55 53.26 1xnt s ASP 59 Cb 0.07 0.37 0.03 0.00 1.07 0.00 0.00 42.92 44.47 1xnt s ASP 59 CO -0.01 -0.19 0.28 -0.63 1.18 0.00 0.00 175.17 175.80 1xnt s ILE 60 N 1.69 -0.01 -0.21 0.77 1.09 -0.45 0.10 121.20 124.18 1xnt s ILE 60 Ca -0.04 0.03 -0.08 0.00 -1.10 0.00 0.00 60.65 59.45 1xnt s ILE 60 Cb -0.11 -0.41 -0.04 0.00 -1.06 0.00 0.00 42.46 40.84 1xnt s ILE 60 CO -0.07 0.01 0.10 -0.83 -0.10 0.00 0.00 174.94 174.05 1xnt s GLY 61 N 0.42 1.91 -0.18 6.18 0.00 -0.63 -1.21 107.32 113.81 1xnt s GLY 61 Ca -0.02 -0.86 -0.26 0.00 0.00 0.00 0.00 44.72 43.58 1xnt s GLY 61 CO -0.02 0.25 0.87 0.54 0.00 0.00 0.00 173.10 174.74 1xnt s ASN 62 N 0.80 6.99 -1.18 1.64 4.22 -0.59 -1.21 114.94 125.61 1xnt s ASN 62 Ca 0.05 1.22 -0.07 0.00 -2.14 0.00 0.00 52.86 51.92 1xnt s ASN 62 Cb -0.13 -2.47 0.24 0.00 1.28 0.00 0.00 41.25 40.16 1xnt s ASN 62 CO 0.02 -0.45 1.64 -0.67 -2.04 0.00 0.00 177.10 175.61 1xnt n ASP 63 N 5.41 5.76 0.00 3.54 2.03 -0.35 -2.81 116.55 130.13 1xnt n ASP 63 Ca 0.06 -3.25 0.00 0.00 0.52 0.00 0.00 54.79 52.12 1xnt n ASP 63 Cb 0.48 -1.38 0.00 0.00 -0.72 0.00 0.00 41.12 39.50 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 2.13 0.64 3.83 0.27 0.00 -0.91 -3.64 105.19 107.51 1xnt n GLY 64 Ca 0.32 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.26 4.52 0.10 1.61 0.01 -1.26 -4.79 113.70 111.62 1xnt s SER 65 Ca 0.00 1.12 0.00 0.00 1.31 0.00 0.00 55.95 58.38 1xnt s SER 65 Cb 0.00 -1.80 0.00 0.00 0.21 0.00 0.00 66.02 64.43 1xnt s SER 65 CO 0.00 -1.93 0.00 0.00 0.41 0.00 0.00 173.24 171.72 1xnt n ALA 66 N -3.38 3.00 -2.88 1.44 0.00 -1.26 -4.06 120.51 113.37 1xnt n ALA 66 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.14 1xnt n ALA 66 Cb 0.58 0.22 -0.12 0.00 0.00 0.00 0.00 19.45 20.13 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 3.14 -0.32 0.00 0.08 -0.09 0.12 117.98 118.92 1xnt s PHE 67 Ca 0.00 -0.20 0.03 0.00 0.12 0.00 0.00 56.93 56.89 1xnt s PHE 67 Cb 0.00 -2.27 0.09 0.00 -0.57 0.00 0.00 43.02 40.27 1xnt s PHE 67 CO 0.00 -0.25 0.01 0.08 -0.10 0.00 0.00 175.22 174.96 1xnt s VAL 68 N 1.55 2.31 0.25 -0.44 1.01 -0.46 0.77 120.40 125.38 1xnt s VAL 68 Ca 0.06 -2.09 -0.16 0.00 0.00 0.00 0.00 61.98 59.79 1xnt s VAL 68 Cb -0.15 -2.59 -0.08 0.00 0.00 0.00 0.00 36.38 33.56 1xnt s VAL 68 CO 0.06 -0.42 0.69 -0.70 0.00 0.00 0.00 175.10 174.73 1xnt s GLU 69 N 0.98 4.08 -0.07 2.72 2.12 0.51 -1.01 118.70 128.03 1xnt s GLU 69 Ca 0.04 0.69 -0.02 0.00 0.36 0.00 0.00 54.97 56.04 1xnt s GLU 69 Cb -0.19 -2.70 0.03 0.00 0.26 0.00 0.00 34.13 31.52 1xnt s GLU 69 CO -0.07 0.31 0.02 0.08 -0.54 0.00 0.00 175.26 175.07 1xnt s VAL 70 N -1.71 0.23 0.33 3.70 1.01 -0.16 -1.34 120.40 122.46 1xnt s VAL 70 Ca 0.47 0.19 0.09 0.00 0.00 0.00 0.00 61.98 62.72 1xnt s VAL 70 Cb -0.14 -0.43 -0.05 0.00 0.00 0.00 0.00 36.38 35.76 1xnt s VAL 70 CO 0.19 0.21 0.04 -0.76 0.00 0.00 0.00 175.10 174.79 1xnt s LEU 71 N 2.03 3.06 0.23 3.92 1.02 -0.09 -1.06 118.68 127.80 1xnt s LEU 71 Ca 0.05 -0.91 0.06 0.00 0.02 0.00 0.00 54.13 53.34 1xnt s LEU 71 Cb -0.12 -1.47 -0.05 0.00 0.02 0.00 0.00 46.19 44.56 1xnt s LEU 71 CO -0.05 -0.24 -0.07 0.68 0.02 0.00 0.00 176.35 176.70 1xnt s VAL 72 N -2.48 1.46 0.00 -1.59 -7.23 -0.43 -1.43 120.40 108.70 1xnt s VAL 72 Ca 0.35 -2.11 0.00 0.00 -1.81 0.00 0.00 61.98 58.41 1xnt s VAL 72 Cb -0.01 -2.26 0.00 0.00 0.56 0.00 0.00 36.38 34.67 1xnt s VAL 72 CO 0.20 -0.43 0.00 0.61 -0.31 0.00 0.00 175.10 175.18 1xnt n GLY 73 N -0.45 0.72 3.62 2.32 0.00 -0.82 -0.80 105.19 109.78 1xnt n GLY 73 Ca -0.06 -0.91 -0.23 0.00 0.00 0.00 0.00 46.02 44.82 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 4.41 -0.04 1.61 0.15 -1.26 -0.93 113.70 117.64 1xnt s SER 74 Ca 0.00 -0.71 0.13 0.00 0.70 0.00 0.00 55.95 56.06 1xnt s SER 74 Cb 0.00 -0.76 0.43 0.00 -1.71 0.00 0.00 66.02 63.98 1xnt s SER 74 CO 0.00 -0.01 1.32 -0.24 1.20 0.00 0.00 173.24 175.51 1xnt n SER 75 N -0.87 2.87 0.15 5.45 2.88 -1.26 -4.23 113.62 118.61 1xnt n SER 75 Ca -0.06 -2.16 -0.06 0.00 -1.33 0.00 0.00 58.87 55.25 1xnt n SER 75 Cb 0.59 -0.39 -0.03 0.00 -0.75 0.00 0.00 64.21 63.63 1xnt n SER 75 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xnt h ALA 76 N 3.67 -1.06 -1.29 -1.46 0.00 -2.01 -3.40 119.26 113.72 1xnt h ALA 76 Ca 0.00 -0.09 -0.39 0.00 0.00 0.00 0.00 54.91 54.43 1xnt h ALA 76 Cb 0.84 0.23 -0.35 0.00 0.00 0.00 0.00 17.79 18.50 1xnt h ALA 76 CO 0.09 -1.04 -1.05 0.41 0.00 0.00 0.00 179.25 177.66 1xnt n GLY 77 N -1.21 2.39 3.56 0.00 0.00 -1.26 -5.05 105.19 103.63 1xnt n GLY 77 Ca -0.05 -1.25 -0.20 0.00 0.00 0.00 0.00 46.02 44.53 1xnt n GLY 77 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xnt s GLY 78 N -2.45 -0.41 -1.14 -0.02 0.00 -1.26 -4.85 107.32 97.19 1xnt s GLY 78 Ca 0.32 -1.24 -0.19 0.00 0.00 0.00 0.00 44.72 43.61 1xnt s GLY 78 CO -0.04 3.91 1.49 0.00 0.00 0.00 0.00 173.10 178.46 1xnt s ALA 79 N 13.01 3.31 0.00 3.20 0.00 -1.26 -4.83 121.76 135.19 1xnt s ALA 79 Ca 0.81 -2.81 0.00 0.00 0.00 0.00 0.00 51.96 49.96 1xnt s ALA 79 Cb -0.09 -4.40 0.00 0.00 0.00 0.00 0.00 23.12 18.63 1xnt s ALA 79 CO 0.06 -3.22 0.00 0.41 0.00 0.00 0.00 175.76 173.02 1xnt n GLY 80 N 5.53 1.64 0.00 0.00 0.00 -1.26 -4.64 105.19 106.47 1xnt n GLY 80 Ca 0.38 -2.00 0.14 0.00 0.00 0.00 0.00 46.02 44.54 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 1.59 0.73 -0.93 1.61 1.02 -1.26 -3.33 120.64 120.06 1xnt n GLU 81 Ca 0.00 0.01 -0.09 0.00 -0.02 0.00 0.00 57.16 57.06 1xnt n GLU 81 Cb 0.00 -1.50 0.24 0.00 -0.02 0.00 0.00 31.44 30.16 1xnt n GLU 81 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xnt n GLN 82 N -1.10 3.12 -0.94 3.49 10.64 -1.26 -4.28 117.38 127.04 1xnt n GLN 82 Ca 0.19 -2.64 0.02 0.00 -1.83 0.00 0.00 57.00 52.73 1xnt n GLN 82 Cb 0.14 -2.08 0.37 0.00 -0.86 0.00 0.00 30.24 27.81 1xnt n GLN 82 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1xnt n ASP 83 N -0.25 5.40 -4.44 2.61 -0.08 -1.21 -4.92 116.55 113.65 1xnt n ASP 83 Ca 0.39 -3.03 -0.25 0.00 -1.51 0.00 0.00 54.79 50.40 1xnt n ASP 83 Cb 1.31 -0.71 -0.11 0.00 2.34 0.00 0.00 41.12 43.96 1xnt n ASP 83 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 1xnt s TYR 84 N -2.83 2.24 0.05 -0.67 1.51 -1.26 -4.58 117.35 111.81 1xnt s TYR 84 Ca 0.54 -0.36 0.07 0.00 -1.01 0.00 0.00 57.07 56.31 1xnt s TYR 84 Cb 0.42 -1.03 -0.03 0.00 -0.11 0.00 0.00 41.96 41.21 1xnt s TYR 84 CO 0.15 0.60 -0.18 -1.83 -1.11 0.00 0.00 175.55 173.18 1xnt s GLU 85 N -3.17 2.04 -0.85 -0.62 4.04 0.02 -4.85 118.70 115.31 1xnt s GLU 85 Ca 0.25 -1.01 -0.25 0.00 0.04 0.00 0.00 54.97 54.01 1xnt s GLU 85 Cb -0.06 -2.19 -0.08 0.00 0.02 0.00 0.00 34.13 31.82 1xnt s GLU 85 CO 0.12 0.53 2.14 0.08 -1.84 0.00 0.00 175.26 176.29 1xnt s VAL 86 N -0.96 3.27 -0.04 1.83 1.01 -1.26 -1.32 120.40 122.92 1xnt s VAL 86 Ca 0.15 -0.22 -0.16 0.00 0.00 0.00 0.00 61.98 61.76 1xnt s VAL 86 Cb -0.11 -3.60 -0.10 0.00 0.00 0.00 0.00 36.38 32.58 1xnt s VAL 86 CO 0.06 -0.56 0.65 0.25 0.00 0.00 0.00 175.10 175.50 1xnt h LEU 87 N 19.82 -0.35 -8.11 3.92 5.85 -1.84 -3.43 115.31 131.17 1xnt h LEU 87 Ca 0.06 -0.09 -0.67 0.00 0.84 0.00 0.00 57.88 58.02 1xnt h LEU 87 Cb 1.00 0.09 -0.33 0.00 0.37 0.00 0.00 40.66 41.79 1xnt h LEU 87 CO 1.13 0.12 -0.80 -0.22 -0.34 0.00 0.00 178.44 178.32 1xnt s LEU 88 N -9.05 2.67 1.22 2.25 2.96 -0.22 -1.27 118.68 117.24 1xnt s LEU 88 Ca -0.09 -0.76 -0.15 0.00 -0.22 0.00 0.00 54.13 52.91 1xnt s LEU 88 Cb 0.01 -1.57 0.30 0.00 0.50 0.00 0.00 46.19 45.43 1xnt s LEU 88 CO 0.29 -0.06 1.01 -0.69 -1.32 0.00 0.00 176.35 175.58 1xnt s VAL 89 N 1.30 1.85 0.21 1.68 1.01 -1.26 -0.98 120.40 124.21 1xnt s VAL 89 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 61.98 61.69 1xnt s VAL 89 Cb -0.15 -2.09 -0.10 0.00 0.00 0.00 0.00 36.38 34.04 1xnt s VAL 89 CO -0.08 0.00 1.52 0.28 0.00 0.00 0.00 175.10 176.82 1xnt s THR 90 N -2.45 2.56 -0.26 3.92 -1.32 -1.26 -4.27 115.64 112.56 1xnt s THR 90 Ca 0.68 0.44 -0.13 0.00 -1.21 0.00 0.00 61.69 61.47 1xnt s THR 90 Cb -0.22 -3.28 -0.04 0.00 -1.51 0.00 0.00 72.50 67.44 1xnt s THR 90 CO 0.63 0.05 0.28 -0.94 -2.21 0.00 0.00 174.62 172.43 1xnt s SER 91 N 0.75 6.16 -0.86 8.08 1.04 -0.18 -4.67 113.70 124.01 1xnt s SER 91 Ca 0.65 0.17 -0.21 0.00 0.48 0.00 0.00 55.95 57.04 1xnt s SER 91 Cb -0.44 -2.16 0.10 0.00 0.10 0.00 0.00 66.02 63.62 1xnt s SER 91 CO 0.38 -0.09 1.14 -0.94 0.98 0.00 0.00 173.24 174.71 1xnt s SER 92 N 1.56 6.46 -0.15 7.02 1.04 -1.23 -1.36 113.70 127.04 1xnt s SER 92 Ca 0.11 -1.60 -0.19 0.00 0.48 0.00 0.00 55.95 54.75 1xnt s SER 92 Cb -0.15 -2.44 -0.17 0.00 0.10 0.00 0.00 66.02 63.36 1xnt s SER 92 CO 0.09 -1.27 0.35 -0.26 0.98 0.00 0.00 173.24 173.14 1xnt h PHE 93 N 9.24 0.00 -3.75 5.02 0.04 -0.62 -3.49 116.94 123.38 1xnt h PHE 93 Ca 0.03 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.80 1xnt h PHE 93 Cb 1.04 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.19 1xnt h PHE 93 CO 1.13 0.86 0.00 -1.33 -0.60 0.00 0.00 178.31 178.37 1xnt n MET 94 N -4.59 2.08 -4.39 1.51 2.81 -1.26 -5.05 117.12 108.24 1xnt n MET 94 Ca -0.15 0.00 -0.29 0.00 -1.81 0.00 0.00 57.70 55.45 1xnt n MET 94 Cb 0.43 0.00 -0.06 0.00 -0.71 0.00 0.00 33.22 32.89 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 -0.77 4.32 -0.04 7.83 1.04 -1.26 -4.68 113.70 120.13 1xnt s SER 95 Ca 0.00 -1.43 0.06 0.00 0.48 0.00 0.00 55.95 55.06 1xnt s SER 95 Cb 0.00 0.29 0.25 0.00 0.10 0.00 0.00 66.02 66.66 1xnt s SER 95 CO 0.00 -0.87 1.05 -0.81 0.98 0.00 0.00 173.24 173.60 1xnt n PRO 96 N -1.40 1.93 0.00 4.02 -0.04 -1.26 -3.47 135.00 134.77 1xnt n PRO 96 Ca -0.10 -0.97 0.00 0.00 -0.04 0.00 0.00 63.50 62.39 1xnt n PRO 96 Cb 0.66 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.65 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 0.22 3.98 0.11 3.54 3.41 -1.26 -4.73 113.62 118.89 1xnt n SER 97 Ca 0.09 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.72 1xnt n SER 97 Cb 0.38 0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 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 -0.01 4.33 4.11 -1.83 -3.28 114.58 117.90 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 0.94 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.19 1xnt h GLU 98 CO 0.00 0.42 0.08 0.66 0.07 0.00 0.00 179.01 180.24 1xnt h SER 99 N 0.00 0.00 0.00 3.06 4.64 -1.74 -3.20 113.55 116.31 1xnt h SER 99 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1xnt h SER 99 Cb 1.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.50 1xnt h SER 99 CO 0.06 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.56 1xnt n ARG 100 N -3.14 0.00 -2.42 4.77 1.74 -1.24 -4.64 116.66 111.73 1xnt n ARG 100 Ca -0.03 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.03 1xnt n ARG 100 Cb 0.15 -0.53 0.10 0.00 -1.02 0.00 0.00 32.46 31.16 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 -0.26 -1.27 -0.00 0.55 2.88 -1.24 -4.81 113.62 109.46 1xnt n SER 101 Ca 0.00 -2.06 0.02 0.00 -1.33 0.00 0.00 58.87 55.50 1xnt n SER 101 Cb 0.00 0.59 -0.03 0.00 -0.75 0.00 0.00 64.21 64.02 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 -1.28 -0.02 3.36 0.46 0.00 -1.23 -5.04 105.19 101.43 1xnt n GLY 102 Ca -0.17 -0.09 0.03 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.23 -0.11 -0.94 1.61 0.01 -1.21 -5.02 113.70 105.81 1xnt s SER 103 Ca -0.01 0.16 -0.11 0.00 1.31 0.00 0.00 55.95 57.30 1xnt s SER 103 Cb 0.02 1.10 0.01 0.00 0.21 0.00 0.00 66.02 67.37 1xnt s SER 103 CO 0.15 -0.02 0.64 -0.46 0.41 0.00 0.00 173.24 173.96 1xnt n ASN 104 N 4.08 -4.79 0.11 2.44 0.23 -1.26 -4.28 115.26 111.79 1xnt n ASN 104 Ca -0.10 -1.03 -0.04 0.00 -0.53 0.00 0.00 54.58 52.88 1xnt n ASN 104 Cb 0.56 -1.88 0.05 0.00 -2.08 0.00 0.00 39.78 36.43 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 -0.98 0.00 -3.77 -0.53 0.13 -1.83 -3.42 132.00 121.60 1xnt h PRO 105 Ca -0.63 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 63.91 1xnt h PRO 105 Cb 1.39 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 32.12 1xnt h PRO 105 CO 0.41 0.77 -0.76 1.21 -0.23 0.00 0.00 178.00 179.40 1xnt s ASN 106 N -6.78 3.87 0.38 1.44 3.04 -1.26 -2.14 114.94 113.49 1xnt s ASN 106 Ca -0.00 -1.47 0.04 0.00 0.04 0.00 0.00 52.86 51.46 1xnt s ASN 106 Cb 0.11 -0.93 -0.04 0.00 -1.54 0.00 0.00 41.25 38.86 1xnt s ASN 106 CO 0.79 -0.37 0.09 -0.60 -3.04 0.00 0.00 177.10 173.97 1xnt s ARG 107 N 1.56 1.84 -0.00 0.43 3.52 -1.13 -4.97 118.95 120.21 1xnt s ARG 107 Ca 0.06 -2.09 -0.00 0.00 -0.13 0.00 0.00 55.73 53.56 1xnt s ARG 107 Cb -0.18 -0.77 -0.00 0.00 -1.56 0.00 0.00 34.95 32.44 1xnt s ARG 107 CO -0.18 -0.36 0.01 0.14 -0.81 0.00 0.00 175.30 174.10 1xnt s VAL 108 N -3.22 0.01 0.35 7.11 -7.23 -1.26 -1.55 120.40 114.61 1xnt s VAL 108 Ca 0.27 -0.11 0.04 0.00 -1.81 0.00 0.00 61.98 60.38 1xnt s VAL 108 Cb 0.05 -0.05 -0.03 0.00 0.56 0.00 0.00 36.38 36.90 1xnt s VAL 108 CO 0.14 -0.06 0.17 -0.13 -0.31 0.00 0.00 175.10 174.92 1xnt s ARG 109 N -0.17 1.77 0.33 4.82 1.81 -0.35 -4.87 118.95 122.30 1xnt s ARG 109 Ca -0.02 -2.05 0.04 0.00 -1.72 0.00 0.00 55.73 51.99 1xnt s ARG 109 Cb -0.01 -0.21 -0.02 0.00 -0.45 0.00 0.00 34.95 34.25 1xnt s ARG 109 CO -0.00 -0.51 0.32 -1.64 -0.68 0.00 0.00 175.30 172.79 1xnt s MET 110 N -3.69 1.77 0.22 3.54 -1.94 -1.26 -1.34 119.30 116.60 1xnt s MET 110 Ca 0.32 -1.93 -0.02 0.00 -1.71 0.00 0.00 55.69 52.35 1xnt s MET 110 Cb 0.03 0.35 -0.03 0.00 2.01 0.00 0.00 34.83 37.19 1xnt s MET 110 CO 0.19 -0.67 0.20 -0.06 -0.01 0.00 0.00 175.02 174.67 1xnt s PHE 111 N -3.38 1.10 0.00 -0.03 0.40 0.13 -4.92 117.98 111.28 1xnt s PHE 111 Ca 0.38 -1.31 0.00 0.00 -0.60 0.00 0.00 56.93 55.40 1xnt s PHE 111 Cb 0.02 -0.45 0.00 0.00 0.51 0.00 0.00 43.02 43.09 1xnt s PHE 111 CO 0.25 -0.73 0.00 0.41 0.70 0.00 0.00 175.22 175.85 1xnt n GLY 112 N -0.33 5.47 0.17 4.36 0.00 -1.26 -1.42 105.19 112.18 1xnt n GLY 112 Ca 0.02 -1.15 -0.14 0.00 0.00 0.00 0.00 46.02 44.75 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 0.49 -0.13 1.61 0.13 -1.23 -3.19 132.00 129.68 1xnt h PRO 113 Ca 0.00 -0.48 -0.06 0.00 -0.87 0.00 0.00 66.00 64.59 1xnt h PRO 113 Cb 0.00 0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.24 1xnt h PRO 113 CO 0.00 1.12 -0.17 0.22 -0.23 0.00 0.00 178.00 178.94 1xnt h ASP 114 N 0.30 0.19 -0.02 1.44 3.58 -1.97 -1.25 116.42 118.70 1xnt h ASP 114 Ca -0.07 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.34 1xnt h ASP 114 Cb 1.51 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.51 1xnt h ASP 114 CO 0.16 0.39 0.00 0.29 -2.88 0.00 0.00 179.24 177.20 1xnt n LYS 115 N -4.25 1.14 -4.53 0.28 4.76 -1.21 -4.77 118.16 109.59 1xnt n LYS 115 Ca -0.01 -0.20 -0.21 0.00 -2.87 0.00 0.00 58.31 55.01 1xnt n LYS 115 Cb 0.29 -1.42 -0.15 0.00 -1.84 0.00 0.00 35.03 31.91 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 -1.83 1.92 1.03 -0.35 0.05 -0.47 -3.93 118.68 115.10 1xnt s LEU 116 Ca 0.39 -0.23 -0.13 0.00 0.05 0.00 0.00 54.13 54.22 1xnt s LEU 116 Cb 0.18 -0.65 0.15 0.00 -2.05 0.00 0.00 46.19 43.83 1xnt s LEU 116 CO 0.31 0.12 0.76 0.55 -0.55 0.00 0.00 176.35 177.54 1xnt n VAL 117 N 3.02 0.00 -0.10 1.48 3.14 -0.40 -4.85 118.33 120.62 1xnt n VAL 117 Ca -0.16 -0.21 -0.19 0.00 -2.96 0.00 0.00 64.34 60.82 1xnt n VAL 117 Cb 0.55 -0.85 -0.12 0.00 -1.06 0.00 0.00 33.84 32.36 1xnt n VAL 117 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1xnt n ARG 118 N -3.51 0.67 0.25 1.45 1.74 -1.26 -2.28 116.66 113.72 1xnt n ARG 118 Ca 0.07 0.19 0.17 0.00 -0.77 0.00 0.00 57.85 57.50 1xnt n ARG 118 Cb 0.54 -1.56 0.87 0.00 -1.02 0.00 0.00 32.46 31.29 1xnt n ARG 118 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1xnt h ALA 119 N -0.04 1.00 0.00 7.54 0.00 -2.00 -2.91 119.26 122.85 1xnt h ALA 119 Ca -0.55 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.20 1xnt h ALA 119 Cb 1.91 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.67 1xnt h ALA 119 CO -0.07 0.00 -1.49 0.00 0.00 0.00 0.00 179.25 177.69 1xnt n ALA 120 N -1.94 2.31 -0.34 0.00 0.00 -1.26 -4.52 120.51 114.76 1xnt n ALA 120 Ca -0.02 -0.41 0.19 0.00 0.00 0.00 0.00 53.44 53.20 1xnt n ALA 120 Cb 0.10 0.35 0.42 0.00 0.00 0.00 0.00 19.45 20.31 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 -0.38 1.89 0.00 0.00 0.00 -1.50 0.92 119.26 120.19 1xnt h ALA 121 Ca -0.25 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1xnt h ALA 121 Cb 1.17 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1xnt h ALA 121 CO -0.15 -0.37 0.00 -0.85 0.00 0.00 0.00 179.25 177.89 1xnt n GLU 122 N -4.84 0.74 -3.35 0.00 -0.00 -1.10 -1.34 120.64 110.75 1xnt n GLU 122 Ca 0.27 0.01 -0.38 0.00 -0.00 0.00 0.00 57.16 57.06 1xnt n GLU 122 Cb 0.79 -1.50 -0.06 0.00 -0.00 0.00 0.00 31.44 30.67 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 -2.18 4.22 -0.29 3.44 1.02 0.32 -4.84 119.74 121.42 1xnt s LYS 123 Ca 0.38 0.49 -0.29 0.00 0.02 0.00 0.00 55.97 56.57 1xnt s LYS 123 Cb 0.19 -3.36 -0.02 0.00 -0.52 0.00 0.00 37.83 34.12 1xnt s LYS 123 CO 0.36 0.35 1.77 1.03 -0.92 0.00 0.00 175.35 177.94 1xnt s ARG 124 N -0.01 3.46 0.32 1.68 0.52 -1.26 -4.33 118.95 119.33 1xnt s ARG 124 Ca 0.26 1.53 0.09 0.00 -0.52 0.00 0.00 55.73 57.09 1xnt s ARG 124 Cb -0.16 -4.16 -0.05 0.00 0.52 0.00 0.00 34.95 31.10 1xnt s ARG 124 CO 0.12 -1.71 0.06 -1.58 0.02 0.00 0.00 175.30 172.22 1xnt s TRP 125 N 6.46 2.66 -0.00 -0.53 0.52 0.16 -4.65 118.94 123.56 1xnt s TRP 125 Ca 0.79 -0.35 0.00 0.00 0.02 0.00 0.00 56.10 56.56 1xnt s TRP 125 Cb -0.24 -1.46 0.00 0.00 -1.15 0.00 0.00 33.47 30.62 1xnt s TRP 125 CO 0.33 0.46 0.61 -0.40 0.02 0.00 0.00 176.95 177.97 1xnt n ASP 126 N -1.02 0.41 -3.84 2.95 5.68 -0.59 -0.69 116.55 119.46 1xnt n ASP 126 Ca -0.04 -1.22 -0.12 0.00 -0.50 0.00 0.00 54.79 52.90 1xnt n ASP 126 Cb 0.61 -0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 40.45 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 -0.21 0.10 0.01 0.11 0.52 -0.10 -0.01 118.95 119.36 1xnt s ARG 127 Ca 0.00 0.14 0.04 0.00 -0.52 0.00 0.00 55.73 55.39 1xnt s ARG 127 Cb 0.00 0.04 -0.01 0.00 0.52 0.00 0.00 34.95 35.50 1xnt s ARG 127 CO 0.00 -0.02 -0.13 0.54 0.02 0.00 0.00 175.30 175.71 1xnt s VAL 128 N 0.10 1.04 -0.30 3.52 0.11 -0.49 -1.94 120.40 122.45 1xnt s VAL 128 Ca -0.00 -0.71 -0.06 0.00 -2.93 0.00 0.00 61.98 58.27 1xnt s VAL 128 Cb -0.01 -0.90 0.01 0.00 -1.53 0.00 0.00 36.38 33.95 1xnt s VAL 128 CO -0.00 0.18 0.07 -0.75 -3.33 0.00 0.00 175.10 171.27 1xnt s LYS 129 N -0.60 3.00 -0.26 1.54 2.20 -0.51 -0.27 119.74 124.84 1xnt s LYS 129 Ca 0.04 -0.91 -0.08 0.00 -0.36 0.00 0.00 55.97 54.66 1xnt s LYS 129 Cb -0.06 -3.35 -0.03 0.00 -1.51 0.00 0.00 37.83 32.88 1xnt s LYS 129 CO 0.00 -0.47 0.08 0.42 -0.36 0.00 0.00 175.35 175.02 1xnt s ILE 130 N 1.47 4.37 -0.16 5.43 -1.09 -0.29 -0.91 121.20 130.01 1xnt s ILE 130 Ca 0.02 -0.18 0.00 0.00 -2.23 0.00 0.00 60.65 58.26 1xnt s ILE 130 Cb -0.17 -3.06 0.03 0.00 -1.58 0.00 0.00 42.46 37.67 1xnt s ILE 130 CO 0.02 0.31 -0.12 -0.69 -1.23 0.00 0.00 174.94 173.23 1xnt s VAL 131 N 1.62 1.54 0.13 2.92 1.01 -0.45 0.53 120.40 127.69 1xnt s VAL 131 Ca 0.06 -0.74 -0.17 0.00 0.00 0.00 0.00 61.98 61.13 1xnt s VAL 131 Cb -0.15 -1.53 -0.07 0.00 0.00 0.00 0.00 36.38 34.63 1xnt s VAL 131 CO 0.04 0.34 0.58 0.00 0.00 0.00 0.00 175.10 176.07 1xnt s SER 133 N -1.44 0.52 0.00 0.00 0.15 0.23 -1.28 113.70 111.88 1xnt s SER 133 Ca 0.35 0.15 0.00 0.00 0.70 0.00 0.00 55.95 57.15 1xnt s SER 133 Cb -0.17 0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.16 1xnt s SER 133 CO 0.19 -0.19 0.00 1.67 1.20 0.00 0.00 173.24 176.11 1xnt n GLN 134 N 4.77 0.00 -2.76 5.44 -0.06 -0.39 -0.91 117.38 123.48 1xnt n GLN 134 Ca -0.15 0.00 -0.43 0.00 -2.00 0.00 0.00 57.00 54.42 1xnt n GLN 134 Cb 0.50 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.65 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 -0.48 3.45 -0.04 3.69 0.04 -1.24 -4.00 135.00 136.41 1xnt s PRO 135 Ca 0.00 -1.21 0.07 0.00 0.04 0.00 0.00 61.00 59.90 1xnt s PRO 135 Cb 0.00 -4.82 0.10 0.00 0.04 0.00 0.00 34.50 29.82 1xnt s PRO 135 CO 0.00 -1.95 0.97 2.48 0.04 0.00 0.00 177.00 178.54 1xnt n TYR 136 N 7.80 0.00 -3.83 0.56 0.18 -1.09 -4.81 117.16 115.98 1xnt n TYR 136 Ca 0.18 -0.49 0.00 0.00 1.88 0.00 0.00 57.90 59.47 1xnt n TYR 136 Cb 0.49 -0.08 0.00 0.00 -0.38 0.00 0.00 39.34 39.37 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 -0.65 0.00 0.00 9.48 7.64 -1.26 -4.72 113.62 124.11 1xnt n SER 137 Ca 0.05 -0.96 0.00 0.00 1.01 0.00 0.00 58.87 58.98 1xnt n SER 137 Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 1xnt n SER 137 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1xnt n LYS 138 N 0.00 0.00 -0.04 1.43 2.85 -1.26 -4.40 118.16 116.75 1xnt n LYS 138 Ca 0.00 0.00 -0.05 0.00 -1.05 0.00 0.00 58.31 57.21 1xnt n LYS 138 Cb 0.00 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.34 1xnt n LYS 138 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1xnt n ASP 139 N -0.76 3.43 -4.82 -5.58 5.68 -1.26 -3.47 116.55 109.76 1xnt n ASP 139 Ca 0.00 -0.03 -0.30 0.00 -0.50 0.00 0.00 54.79 53.96 1xnt n ASP 139 Cb 0.00 0.15 -0.06 0.00 -1.14 0.00 0.00 41.12 40.08 1xnt n ASP 139 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1xnt s SER 140 N -4.40 5.78 0.77 -1.12 1.04 -1.26 -4.61 113.70 109.90 1xnt s SER 140 Ca -0.08 0.06 -0.01 0.00 0.48 0.00 0.00 55.95 56.39 1xnt s SER 140 Cb 0.02 -1.62 0.03 0.00 0.10 0.00 0.00 66.02 64.55 1xnt s SER 140 CO 0.21 0.15 0.17 -0.81 0.98 0.00 0.00 173.24 173.94 1xnt n PRO 141 N 0.27 0.09 -3.21 4.02 -0.04 -1.26 -3.67 135.00 131.20 1xnt n PRO 141 Ca -0.08 -0.34 0.00 0.00 -0.04 0.00 0.00 63.50 63.05 1xnt n PRO 141 Cb 0.52 -0.16 0.00 0.00 -0.04 0.00 0.00 33.50 33.82 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 -2.00 0.00 0.00 0.54 3.72 -1.26 -4.93 117.46 113.53 1xnt n PHE 142 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 1xnt n PHE 142 Cb 0.08 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.62 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 -0.19 3.32 1.37 0.00 -1.24 -0.73 105.19 107.72 1xnt n GLY 143 Ca 0.00 -0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 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 2.34 0.11 0.99 1.02 -1.18 -1.21 118.68 120.75 1xnt s LEU 144 Ca 0.00 -0.75 0.15 0.00 0.02 0.00 0.00 54.13 53.55 1xnt s LEU 144 Cb 0.00 -0.93 -0.11 0.00 0.02 0.00 0.00 46.19 45.17 1xnt s LEU 144 CO 0.00 0.06 1.01 0.28 0.02 0.00 0.00 176.35 177.72 1xnt h SER 145 N 3.80 0.00 -5.54 2.29 0.02 -1.43 -0.52 113.55 112.17 1xnt h SER 145 Ca -0.46 0.00 0.32 0.00 -0.84 0.00 0.00 61.79 60.81 1xnt h SER 145 Cb 1.19 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.60 1xnt h SER 145 CO 0.43 0.66 0.83 0.72 -1.14 0.00 0.00 176.83 178.33 1xnt s PHE 146 N -2.86 -0.05 -0.06 3.45 -0.12 -1.25 -4.60 117.98 112.48 1xnt s PHE 146 Ca -0.01 -0.04 -0.08 0.00 -0.05 0.00 0.00 56.93 56.75 1xnt s PHE 146 Cb 0.08 0.54 0.02 0.00 -0.63 0.00 0.00 43.02 43.03 1xnt s PHE 146 CO 0.80 -0.26 0.21 0.14 -0.05 0.00 0.00 175.22 176.05 1xnt s VAL 147 N -2.42 0.02 0.11 -2.49 -7.23 -1.26 -1.60 120.40 105.52 1xnt s VAL 147 Ca 0.13 -0.15 -0.12 0.00 -1.81 0.00 0.00 61.98 60.03 1xnt s VAL 147 Cb 0.04 -0.35 0.02 0.00 0.56 0.00 0.00 36.38 36.65 1xnt s VAL 147 CO -0.04 -0.08 0.30 -0.13 -0.31 0.00 0.00 175.10 174.84 1xnt s ARG 148 N -0.25 0.98 0.04 4.82 0.52 0.28 -4.94 118.95 120.40 1xnt s ARG 148 Ca -0.04 -0.85 -0.03 0.00 -0.52 0.00 0.00 55.73 54.29 1xnt s ARG 148 Cb -0.03 0.41 -0.02 0.00 0.52 0.00 0.00 34.95 35.83 1xnt s ARG 148 CO 0.01 -0.35 0.04 -0.06 0.02 0.00 0.00 175.30 174.96 1xnt s PHE 149 N -3.84 0.30 -0.19 -0.53 0.08 -1.20 -1.31 117.98 111.29 1xnt s PHE 149 Ca 0.05 -0.68 -0.10 0.00 0.12 0.00 0.00 56.93 56.32 1xnt s PHE 149 Cb 0.03 -0.22 0.07 0.00 -0.57 0.00 0.00 43.02 42.33 1xnt s PHE 149 CO -0.11 -0.35 0.47 -1.01 -0.10 0.00 0.00 175.22 174.12 1xnt s HIS 150 N -2.86 -0.71 -2.37 0.36 3.76 -0.39 -0.62 115.29 112.45 1xnt s HIS 150 Ca -0.03 1.48 0.29 0.00 -0.15 0.00 0.00 55.06 56.65 1xnt s HIS 150 Cb 0.00 0.35 1.27 0.00 1.11 0.00 0.00 32.58 35.31 1xnt s HIS 150 CO -0.06 -0.39 1.87 0.45 -0.85 0.00 0.00 174.74 175.76