#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xnt h PRO 2 N 0.00 0.00 0.00 0.03 0.13 -2.01 -3.44 132.00 126.71 1xnt h PRO 2 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.03 1xnt h PRO 2 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 1xnt h PRO 2 CO 0.00 0.81 -0.07 0.39 -0.23 0.00 0.00 178.00 178.90 1xnt n GLU 3 N -4.53 0.21 -3.75 0.86 1.02 -1.26 -4.44 120.64 108.74 1xnt n GLU 3 Ca -0.20 -0.95 -0.15 0.00 -0.02 0.00 0.00 57.16 55.84 1xnt n GLU 3 Cb 0.52 0.89 -0.16 0.00 -0.02 0.00 0.00 31.44 32.67 1xnt n GLU 3 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1xnt s ILE 4 N -2.54 -0.07 0.13 -3.67 1.01 -0.55 -4.33 121.20 111.19 1xnt s ILE 4 Ca 0.10 0.23 0.08 0.00 0.00 0.00 0.00 60.65 61.06 1xnt s ILE 4 Cb -0.00 -0.14 -0.04 0.00 0.01 0.00 0.00 42.46 42.29 1xnt s ILE 4 CO 0.07 0.10 -0.10 -0.13 0.00 0.00 0.00 174.94 174.88 1xnt s ARG 5 N 1.25 2.10 0.33 2.79 3.00 -1.26 -3.52 118.95 123.63 1xnt s ARG 5 Ca -0.07 -1.10 -0.16 0.00 0.00 0.00 0.00 55.73 54.39 1xnt s ARG 5 Cb -0.13 -2.26 -0.09 0.00 0.00 0.00 0.00 34.95 32.48 1xnt s ARG 5 CO -0.04 0.48 0.77 -1.17 0.00 0.00 0.00 175.30 175.35 1xnt s LEU 6 N -2.40 4.07 -0.22 2.53 2.96 -1.26 -2.34 118.68 122.01 1xnt s LEU 6 Ca 0.22 1.37 -0.11 0.00 -0.22 0.00 0.00 54.13 55.39 1xnt s LEU 6 Cb -0.10 -4.12 -0.10 0.00 0.50 0.00 0.00 46.19 42.37 1xnt s LEU 6 CO 0.14 -0.21 -0.29 -1.14 -1.32 0.00 0.00 176.35 173.53 1xnt n ARG 7 N -0.31 0.47 -3.42 1.98 3.00 -1.25 -4.73 116.66 112.40 1xnt n ARG 7 Ca 0.04 0.21 -0.07 0.00 -0.00 0.00 0.00 57.85 58.02 1xnt n ARG 7 Cb 0.53 -1.30 0.02 0.00 0.00 0.00 0.00 32.46 31.72 1xnt n ARG 7 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.63 175.24 1xnt n HIS 8 N -4.01 -2.08 -3.31 -0.14 1.44 -1.26 -4.98 115.22 100.87 1xnt n HIS 8 Ca -0.43 -1.55 -0.46 0.00 -2.01 0.00 0.00 57.72 53.26 1xnt n HIS 8 Cb 0.80 0.77 -0.04 0.00 0.12 0.00 0.00 29.99 31.65 1xnt n HIS 8 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1xnt s VAL 9 N -2.21 5.29 0.09 0.61 0.11 -1.26 -0.94 120.40 122.09 1xnt s VAL 9 Ca 0.14 -1.70 -0.35 0.00 -2.93 0.00 0.00 61.98 57.14 1xnt s VAL 9 Cb -0.04 -4.37 -0.16 0.00 -1.53 0.00 0.00 36.38 30.28 1xnt s VAL 9 CO 0.10 -0.91 1.57 1.62 -3.33 0.00 0.00 175.10 174.15 1xnt h VAL 10 N 5.66 0.06 -3.26 2.04 3.04 -1.70 -3.44 116.25 118.65 1xnt h VAL 10 Ca -0.21 0.00 -0.62 0.00 -1.01 0.00 0.00 66.70 64.86 1xnt h VAL 10 Cb 1.09 0.06 -0.19 0.00 -2.01 0.00 0.00 31.29 30.24 1xnt h VAL 10 CO 0.98 0.00 -0.81 -0.44 -1.01 0.00 0.00 177.57 176.29 1xnt s SER 11 N -4.45 3.20 -0.07 3.17 0.01 -0.17 -5.03 113.70 110.36 1xnt s SER 11 Ca -0.18 -0.86 -0.03 0.00 1.31 0.00 0.00 55.95 56.20 1xnt s SER 11 Cb 0.05 -0.22 0.04 0.00 0.21 0.00 0.00 66.02 66.10 1xnt s SER 11 CO 0.61 0.08 0.15 0.00 0.41 0.00 0.00 173.24 174.49 1xnt n SER 13 N 4.74 3.48 0.00 0.00 7.64 0.30 -4.76 113.62 125.02 1xnt n SER 13 Ca -0.16 -3.34 0.00 0.00 1.01 0.00 0.00 58.87 56.38 1xnt n SER 13 Cb 0.51 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 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 -0.32 0.00 -4.62 6.43 3.41 -1.22 -1.94 113.62 115.36 1xnt n SER 14 Ca 0.28 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.57 1xnt n SER 14 Cb 0.72 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.57 1xnt n SER 14 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1xnt s GLN 15 N 0.00 2.52 0.05 4.33 1.11 -1.26 -3.12 119.66 123.28 1xnt s GLN 15 Ca 0.00 -0.78 0.00 0.00 0.01 0.00 0.00 55.36 54.60 1xnt s GLN 15 Cb 0.00 -2.50 0.01 0.00 -1.01 0.00 0.00 33.01 29.51 1xnt s GLN 15 CO 0.00 0.58 0.06 -3.47 0.01 0.00 0.00 175.29 172.47 1xnt n ASP 16 N 1.22 0.14 -0.01 5.90 2.03 -0.98 -3.41 116.55 121.43 1xnt n ASP 16 Ca -0.14 -1.10 -0.01 0.00 0.52 0.00 0.00 54.79 54.05 1xnt n ASP 16 Cb 0.52 -0.04 -0.00 0.00 -0.72 0.00 0.00 41.12 40.88 1xnt n ASP 16 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1xnt n SER 17 N -2.97 0.25 -0.19 1.67 2.88 -1.26 -3.70 113.62 110.30 1xnt n SER 17 Ca 0.01 0.06 -0.02 0.00 -1.33 0.00 0.00 58.87 57.59 1xnt n SER 17 Cb 0.04 -0.53 0.18 0.00 -0.75 0.00 0.00 64.21 63.15 1xnt n SER 17 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1xnt h THR 18 N -0.13 1.22 -2.32 2.46 1.35 -1.99 -3.19 112.91 110.32 1xnt h THR 18 Ca 0.00 -0.67 -0.64 0.00 -0.55 0.00 0.00 66.41 64.55 1xnt h THR 18 Cb 0.13 0.40 -0.40 0.00 -1.73 0.00 0.00 68.15 66.55 1xnt h THR 18 CO 0.00 0.27 -0.35 1.41 -0.25 0.00 0.00 175.52 176.60 1xnt n HIS 19 N -4.32 3.42 -2.32 4.73 8.25 -1.26 -5.01 115.22 118.71 1xnt n HIS 19 Ca 0.06 -3.89 -0.25 0.00 -0.26 0.00 0.00 57.72 53.38 1xnt n HIS 19 Cb 0.15 -0.68 0.08 0.00 1.12 0.00 0.00 29.99 30.67 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 -0.58 1.30 -0.00 0.00 0.00 -1.86 -1.68 119.26 116.44 1xnt h ALA 21 Ca -0.42 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1xnt h ALA 21 Cb 1.29 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1xnt h ALA 21 CO 0.52 0.15 0.01 1.49 0.00 0.00 0.00 179.25 181.43 1xnt h GLU 22 N 0.00 0.00 0.00 0.00 4.81 -1.93 0.11 114.58 117.57 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 0.34 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 1xnt h GLU 22 CO 0.02 0.00 -0.01 -0.91 -0.73 0.00 0.00 179.01 177.37 1xnt h ASN 23 N 0.00 0.00 0.41 1.04 2.35 -1.58 -0.76 115.58 117.04 1xnt h ASN 23 Ca 0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 1xnt h ASN 23 Cb 0.02 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 1xnt h ASN 23 CO -0.00 0.01 -0.22 -0.07 -1.65 0.00 0.00 177.43 175.50 1xnt h LEU 24 N 0.00 0.00 -2.43 1.61 3.38 -0.98 -1.18 115.31 115.71 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 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1xnt h LEU 24 CO 0.00 0.22 0.00 -0.07 0.09 0.00 0.00 178.44 178.68 1xnt h LEU 25 N 0.00 0.00 -6.20 1.67 -0.00 -1.29 -2.99 115.31 106.50 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 0.48 0.00 -0.36 0.00 -0.00 0.00 0.00 40.66 40.78 1xnt h LEU 25 CO 0.03 0.00 -0.03 0.29 -0.00 0.00 0.00 178.44 178.73 1xnt n LYS 26 N -2.90 3.57 -0.24 1.13 5.02 -0.45 -4.88 118.16 119.41 1xnt n LYS 26 Ca -0.02 -4.69 0.05 0.00 -2.02 0.00 0.00 58.31 51.63 1xnt n LYS 26 Cb 0.10 -2.35 0.17 0.00 -0.02 0.00 0.00 35.03 32.93 1xnt n LYS 26 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xnt h ALA 27 N 4.26 0.95 -1.53 7.82 0.00 -1.71 -3.08 119.26 125.96 1xnt h ALA 27 Ca 0.23 0.14 -0.74 0.00 0.00 0.00 0.00 54.91 54.55 1xnt h ALA 27 Cb 0.57 0.17 -0.17 0.00 0.00 0.00 0.00 17.79 18.36 1xnt h ALA 27 CO 1.01 -0.29 1.50 -0.40 0.00 0.00 0.00 179.25 181.08 1xnt n ASP 28 N -5.09 5.18 0.00 0.00 5.75 -1.26 -4.85 116.55 116.28 1xnt n ASP 28 Ca 0.13 -2.99 0.00 0.00 -0.01 0.00 0.00 54.79 51.93 1xnt n ASP 28 Cb 0.42 -1.58 0.00 0.00 -1.03 0.00 0.00 41.12 38.93 1xnt n ASP 28 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1xnt n THR 29 N 4.61 0.00 -2.47 2.12 -1.04 -1.17 -5.06 114.28 111.27 1xnt n THR 29 Ca 0.38 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 62.28 1xnt n THR 29 Cb 0.42 0.00 0.04 0.00 -1.82 0.00 0.00 70.33 68.97 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 1.95 -3.74 -1.42 4.11 -1.26 -5.04 117.16 111.77 1xnt n TYR 30 Ca 0.00 -2.20 -0.12 0.00 -0.00 0.00 0.00 57.90 55.58 1xnt n TYR 30 Cb 0.00 -0.28 -0.11 0.00 -0.00 0.00 0.00 39.34 38.95 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 -3.70 0.38 0.00 -3.48 0.52 -1.26 -5.17 118.95 106.24 1xnt s ARG 31 Ca 0.38 0.56 0.00 0.00 -0.52 0.00 0.00 55.73 56.15 1xnt s ARG 31 Cb 0.36 0.11 0.00 0.00 0.52 0.00 0.00 34.95 35.95 1xnt s ARG 31 CO -0.01 -0.09 0.00 0.36 0.02 0.00 0.00 175.30 175.59 1xnt n LYS 32 N 3.36 2.41 -3.06 3.54 0.00 -1.26 -4.62 118.16 118.53 1xnt n LYS 32 Ca -0.17 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 57.75 1xnt n LYS 32 Cb 0.56 0.00 -0.06 0.00 -0.00 0.00 0.00 35.03 35.53 1xnt n LYS 32 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.40 176.94 1xnt s TRP 33 N 0.18 3.87 -0.04 5.58 -0.00 0.08 -4.55 118.94 124.07 1xnt s TRP 33 Ca 0.00 1.54 -0.01 0.00 -0.00 0.00 0.00 56.10 57.62 1xnt s TRP 33 Cb 0.00 -2.69 0.03 0.00 -0.00 0.00 0.00 33.47 30.81 1xnt s TRP 33 CO 0.00 0.52 0.08 1.03 -0.00 0.00 0.00 176.95 178.59 1xnt s ARG 34 N -1.18 0.02 0.98 5.86 1.81 -1.10 -3.22 118.95 122.12 1xnt s ARG 34 Ca 0.34 0.28 -0.13 0.00 -1.72 0.00 0.00 55.73 54.50 1xnt s ARG 34 Cb -0.22 -0.23 0.09 0.00 -0.45 0.00 0.00 34.95 34.15 1xnt s ARG 34 CO 0.24 -0.17 0.57 0.00 -0.68 0.00 0.00 175.30 175.26 1xnt n ALA 35 N 4.23 -2.43 0.15 2.13 0.00 -0.30 -2.32 120.51 121.98 1xnt n ALA 35 Ca -0.27 -0.73 -0.00 0.00 0.00 0.00 0.00 53.44 52.44 1xnt n ALA 35 Cb 0.51 -1.87 0.24 0.00 0.00 0.00 0.00 19.45 18.33 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 -1.80 1.12 -4.11 0.00 0.00 -1.56 -3.34 119.26 109.58 1xnt h ALA 36 Ca -0.46 -0.48 -0.25 0.00 0.00 0.00 0.00 54.91 53.72 1xnt h ALA 36 Cb 1.29 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.94 1xnt h ALA 36 CO 0.37 0.66 -0.21 1.17 0.00 0.00 0.00 179.25 181.25 1xnt n LYS 37 N -3.91 0.76 -0.46 0.00 4.81 -1.26 -4.80 118.16 113.30 1xnt n LYS 37 Ca -0.01 -1.53 0.00 0.00 -0.87 0.00 0.00 58.31 55.89 1xnt n LYS 37 Cb 0.54 0.85 0.00 0.00 0.02 0.00 0.00 35.03 36.44 1xnt n LYS 37 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1xnt n ALA 38 N -2.13 0.00 -3.29 3.14 0.00 -1.26 -4.32 120.51 112.65 1xnt n ALA 38 Ca -0.07 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.20 1xnt n ALA 38 Cb 0.27 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.79 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 -0.25 3.51 0.00 0.00 -1.18 -4.74 105.19 107.54 1xnt n GLY 39 Ca 0.00 0.04 -0.19 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 -3.89 0.17 -0.09 1.61 4.71 -1.25 -4.67 120.64 117.22 1xnt n GLU 40 Ca -0.12 -0.27 -0.14 0.00 -0.01 0.00 0.00 57.16 56.63 1xnt n GLU 40 Cb 0.59 -1.83 -0.05 0.00 -1.01 0.00 0.00 31.44 29.14 1xnt n GLU 40 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1xnt n LYS 41 N 6.51 0.52 -3.33 3.49 4.81 -1.26 -3.16 118.16 125.74 1xnt n LYS 41 Ca 0.61 0.40 -0.00 0.00 -0.87 0.00 0.00 58.31 58.45 1xnt n LYS 41 Cb 0.23 -1.59 -0.03 0.00 0.02 0.00 0.00 35.03 33.66 1xnt n LYS 41 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1xnt s THR 42 N -2.51 -0.92 -0.07 3.15 -4.23 -1.26 -2.44 115.64 107.36 1xnt s THR 42 Ca -0.26 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.27 1xnt s THR 42 Cb 0.06 -0.95 -0.03 0.00 1.34 0.00 0.00 72.50 72.92 1xnt s THR 42 CO 0.40 -0.01 -0.08 0.27 -0.54 0.00 0.00 174.62 174.65 1xnt s ILE 43 N 2.80 3.58 -0.12 2.99 -4.36 -0.12 -4.98 121.20 121.00 1xnt s ILE 43 Ca 0.12 -0.52 0.01 0.00 -0.26 0.00 0.00 60.65 59.99 1xnt s ILE 43 Cb -0.14 -2.46 0.02 0.00 1.25 0.00 0.00 42.46 41.13 1xnt s ILE 43 CO -0.19 0.59 -0.13 -0.44 0.24 0.00 0.00 174.94 175.01 1xnt s SER 44 N -0.76 2.41 -0.12 4.36 0.01 -0.82 0.09 113.70 118.88 1xnt s SER 44 Ca 0.12 -0.41 0.02 0.00 1.31 0.00 0.00 55.95 56.99 1xnt s SER 44 Cb -0.11 -1.04 0.01 0.00 0.21 0.00 0.00 66.02 65.09 1xnt s SER 44 CO 0.01 -0.04 -0.18 0.54 0.41 0.00 0.00 173.24 173.99 1xnt s VAL 45 N 1.30 1.71 -0.34 3.43 0.11 0.10 0.11 120.40 126.83 1xnt s VAL 45 Ca -0.01 -0.77 -0.10 0.00 -2.93 0.00 0.00 61.98 58.17 1xnt s VAL 45 Cb -0.14 -1.54 0.01 0.00 -1.53 0.00 0.00 36.38 33.18 1xnt s VAL 45 CO -0.06 0.48 0.17 -0.69 -3.33 0.00 0.00 175.10 171.68 1xnt s VAL 46 N 0.90 4.57 0.46 2.04 1.01 0.35 0.05 120.40 129.78 1xnt s VAL 46 Ca -0.07 -0.62 0.07 0.00 0.00 0.00 0.00 61.98 61.37 1xnt s VAL 46 Cb -0.15 -3.43 0.02 0.00 0.00 0.00 0.00 36.38 32.82 1xnt s VAL 46 CO -0.01 -0.06 0.63 -0.76 0.00 0.00 0.00 175.10 174.89 1xnt s LEU 47 N 1.58 3.54 0.48 3.92 1.02 0.11 -1.00 118.68 128.33 1xnt s LEU 47 Ca 0.03 -0.42 0.05 0.00 0.02 0.00 0.00 54.13 53.82 1xnt s LEU 47 Cb -0.18 -2.56 -0.01 0.00 0.02 0.00 0.00 46.19 43.46 1xnt s LEU 47 CO 0.06 -0.89 0.22 -1.58 0.02 0.00 0.00 176.35 174.18 1xnt s GLN 48 N -4.45 2.23 -0.01 1.70 -0.44 -0.12 -0.83 119.66 117.75 1xnt s GLN 48 Ca 0.56 -2.01 0.06 0.00 -2.50 0.00 0.00 55.36 51.47 1xnt s GLN 48 Cb -0.09 -1.93 -0.02 0.00 -1.64 0.00 0.00 33.01 29.33 1xnt s GLN 48 CO 0.34 -0.33 -0.20 -0.51 0.50 0.00 0.00 175.29 175.09 1xnt s LEU 49 N -4.02 2.05 0.00 3.68 2.01 0.88 -3.78 118.68 119.50 1xnt s LEU 49 Ca 0.31 -0.38 0.00 0.00 0.01 0.00 0.00 54.13 54.07 1xnt s LEU 49 Cb 0.01 -1.05 0.00 0.00 0.01 0.00 0.00 46.19 45.17 1xnt s LEU 49 CO 0.18 0.24 0.68 1.21 1.01 0.00 0.00 176.35 179.68 1xnt n GLU 50 N 2.51 0.83 0.00 1.70 0.00 -0.99 -4.69 120.64 120.00 1xnt n GLU 50 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.01 1xnt n GLU 50 Cb 0.53 -1.20 0.00 0.00 0.00 0.00 0.00 31.44 30.77 1xnt n GLU 50 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 1xnt n LYS 51 N 0.41 0.00 -2.40 5.31 2.85 -1.26 -5.02 118.16 118.06 1xnt n LYS 51 Ca 0.00 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.83 1xnt n LYS 51 Cb 0.34 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.70 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 -0.29 3.70 0.18 -1.58 2.12 -1.26 -4.64 118.70 116.93 1xnt s GLU 52 Ca 0.00 1.00 -0.03 0.00 0.36 0.00 0.00 54.97 56.30 1xnt s GLU 52 Cb 0.00 -3.97 -0.03 0.00 0.26 0.00 0.00 34.13 30.39 1xnt s GLU 52 CO 0.00 -1.40 0.16 -1.83 -0.54 0.00 0.00 175.26 171.64 1xnt s GLU 53 N 4.64 1.13 1.05 4.30 4.04 -0.19 -4.66 118.70 129.01 1xnt s GLU 53 Ca 0.58 -1.47 -0.18 0.00 0.04 0.00 0.00 54.97 53.94 1xnt s GLU 53 Cb -0.14 0.29 0.26 0.00 0.02 0.00 0.00 34.13 34.56 1xnt s GLU 53 CO 0.29 -0.37 1.03 1.04 -1.84 0.00 0.00 175.26 175.41 1xnt n GLN 54 N -0.21 -2.50 -4.65 -4.83 6.02 -1.25 -0.12 117.38 109.83 1xnt n GLN 54 Ca -0.02 -1.63 -0.27 0.00 -0.01 0.00 0.00 57.00 55.07 1xnt n GLN 54 Cb 0.64 -1.41 -0.17 0.00 1.02 0.00 0.00 30.24 30.33 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 -2.97 1.36 0.00 5.09 -1.09 1.00 -4.58 121.20 120.00 1xnt s ILE 55 Ca 0.64 -0.60 0.00 0.00 -2.23 0.00 0.00 60.65 58.47 1xnt s ILE 55 Cb -0.05 -1.23 0.00 0.00 -1.58 0.00 0.00 42.46 39.60 1xnt s ILE 55 CO 0.48 0.41 0.00 1.57 -1.23 0.00 0.00 174.94 176.17 1xnt n HIS 56 N 3.87 0.00 -3.91 3.97 -0.00 -1.10 -4.48 115.22 113.58 1xnt n HIS 56 Ca -0.21 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 57.88 1xnt n HIS 56 Cb 0.52 0.00 -0.07 0.00 -0.12 0.00 0.00 29.99 30.32 1xnt n HIS 56 CO 0.00 0.00 0.00 -1.12 0.46 0.00 0.00 176.34 175.68 1xnt s SER 57 N -3.86 0.09 0.12 0.26 0.01 -0.23 0.10 113.70 110.19 1xnt s SER 57 Ca 0.00 -0.76 -0.09 0.00 1.31 0.00 0.00 55.95 56.41 1xnt s SER 57 Cb 0.00 0.38 -0.00 0.00 0.21 0.00 0.00 66.02 66.61 1xnt s SER 57 CO 0.00 -0.80 0.24 -0.69 0.41 0.00 0.00 173.24 172.39 1xnt s VAL 58 N -3.91 0.11 -0.02 3.43 1.01 0.99 -1.30 120.40 120.70 1xnt s VAL 58 Ca 0.11 -1.26 -0.00 0.00 0.00 0.00 0.00 61.98 60.82 1xnt s VAL 58 Cb 0.04 -1.57 0.03 0.00 0.00 0.00 0.00 36.38 34.88 1xnt s VAL 58 CO -0.06 -0.48 0.04 -1.81 0.00 0.00 0.00 175.10 172.79 1xnt s ASP 59 N -2.91 0.31 -0.06 3.32 1.11 0.16 -0.26 116.67 118.34 1xnt s ASP 59 Ca 0.11 0.05 -0.03 0.00 0.18 0.00 0.00 52.55 52.85 1xnt s ASP 59 Cb 0.04 -0.09 0.04 0.00 1.07 0.00 0.00 42.92 43.98 1xnt s ASP 59 CO -0.06 -0.15 0.14 -0.63 1.18 0.00 0.00 175.17 175.65 1xnt s ILE 60 N 1.31 -0.05 -0.17 0.77 1.09 -0.28 0.33 121.20 124.21 1xnt s ILE 60 Ca -0.06 0.17 -0.15 0.00 -1.10 0.00 0.00 60.65 59.51 1xnt s ILE 60 Cb -0.13 -0.24 -0.04 0.00 -1.06 0.00 0.00 42.46 40.99 1xnt s ILE 60 CO -0.03 0.07 0.35 -0.83 -0.10 0.00 0.00 174.94 174.40 1xnt s GLY 61 N 1.13 2.19 -0.35 6.18 0.00 -0.57 -1.25 107.32 114.64 1xnt s GLY 61 Ca -0.09 -0.45 -0.28 0.00 0.00 0.00 0.00 44.72 43.91 1xnt s GLY 61 CO -0.06 0.59 1.01 -1.31 0.00 0.00 0.00 173.10 173.34 1xnt s ASN 62 N 0.69 6.81 -0.92 1.64 -0.87 -0.63 -1.25 114.94 120.40 1xnt s ASN 62 Ca 0.18 0.82 0.00 0.00 -1.57 0.00 0.00 52.86 52.30 1xnt s ASN 62 Cb -0.14 -2.51 0.32 0.00 -0.02 0.00 0.00 41.25 38.90 1xnt s ASN 62 CO 0.06 -0.89 1.54 -0.67 -2.57 0.00 0.00 177.10 174.57 1xnt n ASP 63 N 6.87 6.44 0.00 -1.22 2.03 -0.13 -0.29 116.55 130.25 1xnt n ASP 63 Ca 0.10 -3.64 0.00 0.00 0.52 0.00 0.00 54.79 51.76 1xnt n ASP 63 Cb 0.48 -1.02 0.00 0.00 -0.72 0.00 0.00 41.12 39.85 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 0.11 3.04 3.38 0.27 0.00 -1.11 -3.00 105.19 107.87 1xnt n GLY 64 Ca 0.40 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.13 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 0.80 -0.14 0.08 1.61 1.04 -1.24 -4.81 113.70 111.03 1xnt s SER 65 Ca 0.00 1.23 0.00 0.00 0.48 0.00 0.00 55.95 57.66 1xnt s SER 65 Cb 0.00 -1.86 0.00 0.00 0.10 0.00 0.00 66.02 64.26 1xnt s SER 65 CO 0.00 -4.85 0.00 0.00 0.98 0.00 0.00 173.24 169.37 1xnt n ALA 66 N -5.33 3.00 -2.65 5.32 0.00 -1.26 -4.17 120.51 115.42 1xnt n ALA 66 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.12 1xnt n ALA 66 Cb 0.57 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.94 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 3.34 -0.21 0.00 0.08 -0.01 -0.32 117.98 118.85 1xnt s PHE 67 Ca 0.00 0.52 -0.00 0.00 0.12 0.00 0.00 56.93 57.57 1xnt s PHE 67 Cb 0.00 -2.51 0.05 0.00 -0.57 0.00 0.00 43.02 40.00 1xnt s PHE 67 CO 0.00 -0.05 -0.05 0.08 -0.10 0.00 0.00 175.22 175.10 1xnt s VAL 68 N 1.46 1.28 -0.10 -0.44 1.01 -0.17 0.46 120.40 123.90 1xnt s VAL 68 Ca 0.17 -0.94 -0.04 0.00 0.00 0.00 0.00 61.98 61.16 1xnt s VAL 68 Cb -0.15 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 1xnt s VAL 68 CO 0.08 -0.03 0.08 -0.70 0.00 0.00 0.00 175.10 174.53 1xnt s GLU 69 N 1.53 3.22 -0.12 2.72 2.12 -0.49 0.03 118.70 127.71 1xnt s GLU 69 Ca -0.03 -0.27 0.01 0.00 0.36 0.00 0.00 54.97 55.04 1xnt s GLU 69 Cb -0.17 -3.00 0.02 0.00 0.26 0.00 0.00 34.13 31.24 1xnt s GLU 69 CO -0.07 0.74 -0.13 0.08 -0.54 0.00 0.00 175.26 175.35 1xnt s VAL 70 N -0.97 1.36 0.29 3.70 1.01 -0.63 -1.41 120.40 123.75 1xnt s VAL 70 Ca 0.14 -0.53 0.09 0.00 0.00 0.00 0.00 61.98 61.68 1xnt s VAL 70 Cb -0.12 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 1xnt s VAL 70 CO 0.03 0.42 0.06 -0.76 0.00 0.00 0.00 175.10 174.86 1xnt s LEU 71 N 1.31 3.25 0.18 3.92 1.02 0.06 -1.66 118.68 126.76 1xnt s LEU 71 Ca -0.01 -0.68 0.06 0.00 0.02 0.00 0.00 54.13 53.53 1xnt s LEU 71 Cb -0.14 -1.75 -0.05 0.00 0.02 0.00 0.00 46.19 44.27 1xnt s LEU 71 CO -0.06 -0.12 -0.12 0.68 0.02 0.00 0.00 176.35 176.76 1xnt s VAL 72 N -2.36 1.43 -0.08 -1.59 -7.23 -0.41 -1.38 120.40 108.79 1xnt s VAL 72 Ca 0.34 -2.13 -0.31 0.00 -1.81 0.00 0.00 61.98 58.06 1xnt s VAL 72 Cb -0.05 -1.97 0.12 0.00 0.56 0.00 0.00 36.38 35.04 1xnt s VAL 72 CO 0.21 -0.65 1.39 -0.83 -0.31 0.00 0.00 175.10 174.91 1xnt s GLY 73 N -3.25 -0.35 0.27 2.32 0.00 -0.79 -0.07 107.32 105.46 1xnt s GLY 73 Ca 0.20 0.54 0.09 0.00 0.00 0.00 0.00 44.72 45.55 1xnt s GLY 73 CO 0.04 3.37 0.03 -0.45 0.00 0.00 0.00 173.10 176.09 1xnt s SER 74 N -3.46 4.68 0.00 1.64 0.15 -1.26 -0.81 113.70 114.63 1xnt s SER 74 Ca 0.23 -0.60 0.13 0.00 0.70 0.00 0.00 55.95 56.41 1xnt s SER 74 Cb 0.04 -0.91 0.52 0.00 -1.71 0.00 0.00 66.02 63.96 1xnt s SER 74 CO -0.04 -0.02 1.38 -1.54 1.20 0.00 0.00 173.24 174.21 1xnt n SER 75 N -0.95 1.19 -4.59 5.45 3.41 -1.26 -4.53 113.62 112.34 1xnt n SER 75 Ca -0.06 -1.81 -0.45 0.00 -0.26 0.00 0.00 58.87 56.28 1xnt n SER 75 Cb 0.59 -0.12 -0.04 0.00 -0.26 0.00 0.00 64.21 64.38 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 0.08 1.57 -0.86 7.33 0.00 -1.26 -4.44 120.51 122.93 1xnt n ALA 76 Ca 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1xnt n ALA 76 Cb 0.22 -2.80 0.00 0.00 0.00 0.00 0.00 19.45 16.87 1xnt n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xnt n GLY 77 N 5.66 0.76 3.41 0.00 0.00 -1.26 -4.38 105.19 109.37 1xnt n GLY 77 Ca 0.30 0.48 0.01 0.00 0.00 0.00 0.00 46.02 46.82 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 0.00 -0.84 0.04 -0.02 0.00 -1.26 -5.06 107.32 100.18 1xnt s GLY 78 Ca 0.00 2.10 -0.30 0.00 0.00 0.00 0.00 44.72 46.52 1xnt s GLY 78 CO 0.00 3.20 1.39 0.00 0.00 0.00 0.00 173.10 177.68 1xnt h ALA 79 N 8.00 -0.85 0.00 3.20 0.00 -1.80 -3.48 119.26 124.34 1xnt h ALA 79 Ca -0.20 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1xnt h ALA 79 Cb 1.13 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1xnt h ALA 79 CO 0.17 -0.89 0.00 0.41 0.00 0.00 0.00 179.25 178.94 1xnt n GLY 80 N -1.00 1.93 5.00 0.00 0.00 -1.26 -4.39 105.19 105.47 1xnt n GLY 80 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.27 0.00 -1.05 1.61 1.02 -1.26 -4.24 120.64 116.45 1xnt n GLU 81 Ca 0.00 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.91 1xnt n GLU 81 Cb 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 31.44 31.48 1xnt n GLU 81 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1xnt n GLN 82 N 0.00 2.14 -0.97 3.49 -0.06 -1.26 -4.19 117.38 116.52 1xnt n GLN 82 Ca 0.00 -2.24 0.03 0.00 -2.00 0.00 0.00 57.00 52.79 1xnt n GLN 82 Cb 0.00 -1.88 0.15 0.00 -4.06 0.00 0.00 30.24 24.45 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 -0.19 1.73 -3.33 1.69 2.03 -1.26 -5.05 116.55 112.17 1xnt n ASP 83 Ca 0.43 -3.37 -0.10 0.00 0.52 0.00 0.00 54.79 52.27 1xnt n ASP 83 Cb 0.66 -0.46 0.02 0.00 -0.72 0.00 0.00 41.12 40.62 1xnt n ASP 83 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1xnt n TYR 84 N -0.67 -2.17 -4.61 -0.67 4.02 -1.26 -4.88 117.16 106.91 1xnt n TYR 84 Ca 0.17 -1.00 -0.33 0.00 -0.01 0.00 0.00 57.90 56.73 1xnt n TYR 84 Cb 0.83 -0.24 -0.16 0.00 -0.02 0.00 0.00 39.34 39.75 1xnt n TYR 84 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1xnt s GLU 85 N -3.15 3.05 -0.94 -0.72 0.41 0.90 -4.89 118.70 113.37 1xnt s GLU 85 Ca 0.24 -0.83 -0.26 0.00 -0.41 0.00 0.00 54.97 53.70 1xnt s GLU 85 Cb -0.02 -2.48 -0.17 0.00 -1.78 0.00 0.00 34.13 29.68 1xnt s GLU 85 CO 0.15 -0.02 2.24 0.08 -0.49 0.00 0.00 175.26 177.22 1xnt s VAL 86 N 0.85 3.06 0.09 2.63 1.01 -1.26 -1.28 120.40 125.48 1xnt s VAL 86 Ca -0.06 -0.07 -0.31 0.00 0.00 0.00 0.00 61.98 61.53 1xnt s VAL 86 Cb -0.15 -3.55 -0.15 0.00 0.00 0.00 0.00 36.38 32.53 1xnt s VAL 86 CO -0.02 -0.11 1.62 0.25 0.00 0.00 0.00 175.10 176.84 1xnt h LEU 87 N 22.14 -0.83 -7.40 3.92 5.85 -1.80 -3.42 115.31 133.77 1xnt h LEU 87 Ca 0.02 0.06 -0.33 0.00 0.84 0.00 0.00 57.88 58.46 1xnt h LEU 87 Cb 1.00 0.26 -0.36 0.00 0.37 0.00 0.00 40.66 41.92 1xnt h LEU 87 CO 1.02 -0.50 -0.72 -1.48 -0.34 0.00 0.00 178.44 176.43 1xnt s LEU 88 N -10.14 0.53 1.19 2.25 0.05 -0.66 -1.20 118.68 110.70 1xnt s LEU 88 Ca -0.17 0.09 -0.17 0.00 0.05 0.00 0.00 54.13 53.93 1xnt s LEU 88 Cb 0.05 -0.06 0.23 0.00 -2.05 0.00 0.00 46.19 44.36 1xnt s LEU 88 CO 0.63 -0.20 0.53 0.52 -0.55 0.00 0.00 176.35 177.28 1xnt n VAL 89 N 4.80 0.00 -1.74 1.48 0.31 -1.26 -1.61 118.33 120.31 1xnt n VAL 89 Ca -0.14 -0.31 -0.42 0.00 -0.01 0.00 0.00 64.34 63.45 1xnt n VAL 89 Cb 0.50 -0.80 -0.02 0.00 -0.91 0.00 0.00 33.84 32.62 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 -4.88 0.87 -4.04 2.52 5.66 -1.26 -4.40 114.28 108.76 1xnt n THR 90 Ca 0.03 -0.22 -0.35 0.00 -3.05 0.00 0.00 64.05 60.46 1xnt n THR 90 Cb 0.56 -1.95 -0.12 0.00 -1.55 0.00 0.00 70.33 67.27 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 0.58 4.98 -0.14 1.09 1.04 0.10 -4.67 113.70 116.68 1xnt s SER 91 Ca 0.66 -0.16 -0.25 0.00 0.48 0.00 0.00 55.95 56.67 1xnt s SER 91 Cb -0.50 -1.86 -0.02 0.00 0.10 0.00 0.00 66.02 63.74 1xnt s SER 91 CO 0.46 0.07 0.83 -0.94 0.98 0.00 0.00 173.24 174.64 1xnt s SER 92 N 0.98 7.00 0.00 7.02 1.04 -1.24 -1.00 113.70 127.50 1xnt s SER 92 Ca 0.02 1.22 0.00 0.00 0.48 0.00 0.00 55.95 57.67 1xnt s SER 92 Cb -0.14 -2.46 0.00 0.00 0.10 0.00 0.00 66.02 63.52 1xnt s SER 92 CO 0.02 -0.35 0.00 0.49 0.98 0.00 0.00 173.24 174.38 1xnt n PHE 93 N 4.93 0.00 -3.53 5.02 3.72 0.56 -4.97 117.46 123.19 1xnt n PHE 93 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 1xnt n PHE 93 Cb 0.49 0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.05 1xnt n PHE 93 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 1xnt n MET 94 N -2.60 2.88 -4.49 -1.08 2.81 -1.26 -5.05 117.12 108.34 1xnt n MET 94 Ca 0.00 0.00 -0.24 0.00 -1.81 0.00 0.00 57.70 55.65 1xnt n MET 94 Cb 0.46 0.00 -0.09 0.00 -0.71 0.00 0.00 33.22 32.88 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 -0.06 2.61 -0.03 7.83 1.04 -1.26 -4.73 113.70 119.10 1xnt s SER 95 Ca 0.00 -1.57 0.07 0.00 0.48 0.00 0.00 55.95 54.93 1xnt s SER 95 Cb 0.00 0.31 0.25 0.00 0.10 0.00 0.00 66.02 66.68 1xnt s SER 95 CO 0.00 -0.82 1.10 -0.81 0.98 0.00 0.00 173.24 173.69 1xnt n PRO 96 N -0.83 1.88 0.00 4.02 -0.04 -1.26 -4.10 135.00 134.67 1xnt n PRO 96 Ca -0.05 -0.99 0.00 0.00 -0.04 0.00 0.00 63.50 62.42 1xnt n PRO 96 Cb 0.66 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.71 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 1.44 0.26 3.54 7.64 -1.26 -4.65 113.62 120.83 1xnt n SER 97 Ca 0.09 0.00 0.18 0.00 1.01 0.00 0.00 58.87 60.15 1xnt n SER 97 Cb 0.35 0.00 0.89 0.00 -1.01 0.00 0.00 64.21 64.44 1xnt n SER 97 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1xnt h GLU 98 N 0.00 0.00 -1.00 1.43 3.07 -1.88 -2.31 114.58 113.89 1xnt h GLU 98 Ca 0.00 0.00 0.24 0.00 -0.50 0.00 0.00 59.36 59.10 1xnt h GLU 98 Cb 0.98 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 28.81 1xnt h GLU 98 CO 0.00 0.00 0.64 0.77 -1.40 0.00 0.00 179.01 179.02 1xnt h SER 99 N 0.00 0.47 0.00 1.42 0.02 -1.81 -2.76 113.55 110.89 1xnt h SER 99 Ca 0.06 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1xnt h SER 99 Cb 0.51 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.04 1xnt h SER 99 CO -0.00 0.13 0.00 0.54 -1.14 0.00 0.00 176.83 176.36 1xnt n ARG 100 N -4.60 0.00 -2.04 3.45 1.74 -0.87 -4.66 116.66 109.67 1xnt n ARG 100 Ca 0.23 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.29 1xnt n ARG 100 Cb 0.79 -0.42 0.06 0.00 -1.02 0.00 0.00 32.46 31.88 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 -0.28 -1.10 0.12 0.55 2.88 -1.23 -4.81 113.62 109.75 1xnt n SER 101 Ca 0.00 -1.90 0.02 0.00 -1.33 0.00 0.00 58.87 55.66 1xnt n SER 101 Cb 0.00 0.48 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 1xnt n SER 101 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1xnt h GLY 102 N 0.60 0.00 0.00 0.46 0.00 -1.75 -3.48 103.07 98.90 1xnt h GLY 102 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1xnt h GLY 102 CO -0.18 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.80 1xnt n SER 103 N -3.17 0.00 -4.02 0.19 7.64 -1.26 -4.99 113.62 108.01 1xnt n SER 103 Ca 0.00 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.55 1xnt n SER 103 Cb 0.76 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.84 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 2.00 4.76 0.49 6.43 4.22 -1.26 -4.91 114.94 126.66 1xnt s ASN 104 Ca 0.00 -2.92 0.28 0.00 -2.14 0.00 0.00 52.86 48.08 1xnt s ASN 104 Cb 0.00 -1.74 1.04 0.00 1.28 0.00 0.00 41.25 41.83 1xnt s ASN 104 CO 0.00 -0.30 1.86 1.55 -2.04 0.00 0.00 177.10 178.18 1xnt h PRO 105 N 6.77 0.00 -5.94 3.55 0.13 -1.76 -3.42 132.00 131.34 1xnt h PRO 105 Ca -0.05 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.56 1xnt h PRO 105 Cb 0.92 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 31.88 1xnt h PRO 105 CO 0.70 0.09 -0.77 -0.80 -0.23 0.00 0.00 178.00 176.99 1xnt s ASN 106 N -5.96 2.80 0.20 1.44 0.02 -1.26 -2.76 114.94 109.42 1xnt s ASN 106 Ca 0.02 -0.91 -0.06 0.00 -1.02 0.00 0.00 52.86 50.89 1xnt s ASN 106 Cb 0.09 -0.17 0.02 0.00 0.02 0.00 0.00 41.25 41.21 1xnt s ASN 106 CO 0.60 -0.04 0.37 0.54 0.02 0.00 0.00 177.10 178.58 1xnt n ARG 107 N 0.07 0.53 -3.46 -0.60 1.74 0.60 -4.95 116.66 110.59 1xnt n ARG 107 Ca -0.11 -1.27 -0.04 0.00 -0.77 0.00 0.00 57.85 55.66 1xnt n ARG 107 Cb 0.58 1.45 -0.06 0.00 -1.02 0.00 0.00 32.46 33.42 1xnt n ARG 107 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1xnt s VAL 108 N -2.56 -0.81 0.27 1.55 1.01 -1.26 -1.60 120.40 117.00 1xnt s VAL 108 Ca 0.11 0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.17 1xnt s VAL 108 Cb -0.02 -0.86 -0.06 0.00 0.00 0.00 0.00 36.38 35.44 1xnt s VAL 108 CO 0.08 -0.01 -0.03 -0.13 0.00 0.00 0.00 175.10 175.01 1xnt s ARG 109 N 2.73 1.50 0.28 2.72 1.81 -0.38 -4.88 118.95 122.72 1xnt s ARG 109 Ca 0.06 -1.77 0.03 0.00 -1.72 0.00 0.00 55.73 52.33 1xnt s ARG 109 Cb -0.14 -0.97 -0.03 0.00 -0.45 0.00 0.00 34.95 33.36 1xnt s ARG 109 CO -0.17 -0.03 0.23 -1.64 -0.68 0.00 0.00 175.30 173.01 1xnt s MET 110 N -3.79 1.54 0.08 3.54 -1.94 -1.26 -1.12 119.30 116.35 1xnt s MET 110 Ca 0.30 -1.85 0.01 0.00 -1.71 0.00 0.00 55.69 52.45 1xnt s MET 110 Cb 0.05 0.31 -0.04 0.00 2.01 0.00 0.00 34.83 37.16 1xnt s MET 110 CO 0.11 -0.55 -0.06 -0.06 -0.01 0.00 0.00 175.02 174.45 1xnt s PHE 111 N -3.72 0.79 0.00 -0.03 0.40 0.63 -4.94 117.98 111.11 1xnt s PHE 111 Ca 0.40 -0.90 0.00 0.00 -0.60 0.00 0.00 56.93 55.82 1xnt s PHE 111 Cb 0.04 -0.48 0.00 0.00 0.51 0.00 0.00 43.02 43.09 1xnt s PHE 111 CO 0.21 -0.19 0.00 0.41 0.70 0.00 0.00 175.22 176.35 1xnt n GLY 112 N 0.14 6.13 0.17 4.36 0.00 -1.26 -0.00 105.19 114.72 1xnt n GLY 112 Ca -0.14 -1.74 -0.15 0.00 0.00 0.00 0.00 46.02 44.00 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 0.00 1.61 0.13 0.32 -3.14 132.00 131.41 1xnt h PRO 113 Ca 0.00 -0.50 -0.07 0.00 -0.87 0.00 0.00 66.00 64.56 1xnt h PRO 113 Cb 0.00 0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.26 1xnt h PRO 113 CO 0.00 1.14 -0.34 -0.44 -0.23 0.00 0.00 178.00 178.13 1xnt h ASP 114 N 0.29 0.00 0.27 1.44 5.19 -1.97 -1.68 116.42 119.96 1xnt h ASP 114 Ca -0.08 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.33 1xnt h ASP 114 Cb 1.55 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.06 1xnt h ASP 114 CO 0.17 0.34 0.00 1.17 -3.12 0.00 0.00 179.24 177.80 1xnt n LYS 115 N -4.01 0.72 -4.87 3.56 3.00 -1.19 -4.77 118.16 110.61 1xnt n LYS 115 Ca -0.02 0.00 -0.26 0.00 -0.00 0.00 0.00 58.31 58.03 1xnt n LYS 115 Cb 0.39 -1.50 -0.15 0.00 0.00 0.00 0.00 35.03 33.77 1xnt n LYS 115 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 1xnt s LEU 116 N -2.27 2.07 0.30 3.14 2.34 -0.63 -4.23 118.68 119.40 1xnt s LEU 116 Ca 0.38 -0.39 -0.28 0.00 0.06 0.00 0.00 54.13 53.90 1xnt s LEU 116 Cb 0.21 -0.99 -0.14 0.00 -0.56 0.00 0.00 46.19 44.71 1xnt s LEU 116 CO 0.41 0.22 1.09 0.55 -1.06 0.00 0.00 176.35 177.55 1xnt n VAL 117 N 2.42 2.00 0.01 1.48 3.14 -0.35 -4.73 118.33 122.30 1xnt n VAL 117 Ca -0.16 -0.50 -0.17 0.00 -2.96 0.00 0.00 64.34 60.55 1xnt n VAL 117 Cb 0.53 -1.16 -0.07 0.00 -1.06 0.00 0.00 33.84 32.08 1xnt n VAL 117 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 1xnt h ARG 118 N 2.15 0.70 0.00 1.45 2.43 -1.93 0.86 114.38 120.03 1xnt h ARG 118 Ca -0.41 -0.65 -0.00 0.00 -0.81 0.00 0.00 59.98 58.11 1xnt h ARG 118 Cb 1.32 0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 31.03 1xnt h ARG 118 CO 0.61 1.25 -0.01 0.00 -1.51 0.00 0.00 179.97 180.31 1xnt h ALA 119 N 0.55 1.08 0.00 2.80 0.00 -1.98 -3.06 119.26 118.65 1xnt h ALA 119 Ca -0.08 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1xnt h ALA 119 Cb 1.52 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 1xnt h ALA 119 CO 0.17 0.01 -1.34 0.00 0.00 0.00 0.00 179.25 178.09 1xnt n ALA 120 N -2.12 2.14 -0.32 0.00 0.00 -1.17 -4.61 120.51 114.42 1xnt n ALA 120 Ca -0.02 -0.25 0.31 0.00 0.00 0.00 0.00 53.44 53.47 1xnt n ALA 120 Cb 0.11 0.38 0.66 0.00 0.00 0.00 0.00 19.45 20.60 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 -0.08 2.78 -0.61 0.00 0.00 0.71 0.70 119.26 122.76 1xnt h ALA 121 Ca -0.14 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.60 1xnt h ALA 121 Cb 1.18 0.07 -0.10 0.00 0.00 0.00 0.00 17.79 18.94 1xnt h ALA 121 CO -0.05 -1.15 0.22 -0.85 0.00 0.00 0.00 179.25 177.43 1xnt n GLU 122 N -4.37 3.25 -4.91 0.00 0.28 -1.16 -0.00 120.64 113.73 1xnt n GLU 122 Ca 0.26 -2.49 -0.33 0.00 -0.16 0.00 0.00 57.16 54.44 1xnt n GLU 122 Cb 1.11 -2.05 -0.14 0.00 1.43 0.00 0.00 31.44 31.79 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 -2.52 2.72 -0.13 3.44 1.02 0.24 -4.92 119.74 119.60 1xnt s LYS 123 Ca 0.45 -0.72 -0.29 0.00 0.02 0.00 0.00 55.97 55.42 1xnt s LYS 123 Cb 0.36 -2.41 -0.05 0.00 -0.52 0.00 0.00 37.83 35.21 1xnt s LYS 123 CO 0.11 0.50 1.81 1.03 -0.92 0.00 0.00 175.35 177.87 1xnt s ARG 124 N -0.40 3.83 0.13 1.68 0.52 -1.26 -3.96 118.95 119.49 1xnt s ARG 124 Ca 0.04 2.04 0.10 0.00 -0.52 0.00 0.00 55.73 57.39 1xnt s ARG 124 Cb -0.12 -4.11 -0.04 0.00 0.52 0.00 0.00 34.95 31.20 1xnt s ARG 124 CO 0.02 -1.27 -0.23 -1.58 0.02 0.00 0.00 175.30 172.26 1xnt s TRP 125 N 5.34 2.04 0.00 -0.53 0.52 0.82 -4.71 118.94 122.43 1xnt s TRP 125 Ca 0.81 -0.40 0.00 0.00 0.02 0.00 0.00 56.10 56.52 1xnt s TRP 125 Cb -0.32 -1.09 0.00 0.00 -1.15 0.00 0.00 33.47 30.91 1xnt s TRP 125 CO 0.33 0.30 0.42 -0.40 0.02 0.00 0.00 176.95 177.62 1xnt n ASP 126 N 0.84 0.49 -4.04 2.95 5.68 -0.49 -1.02 116.55 120.96 1xnt n ASP 126 Ca -0.17 -1.17 -0.19 0.00 -0.50 0.00 0.00 54.79 52.76 1xnt n ASP 126 Cb 0.54 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.38 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 -0.17 0.76 0.00 0.11 1.81 0.01 -0.08 118.95 121.38 1xnt s ARG 127 Ca 0.00 -0.41 0.02 0.00 -1.72 0.00 0.00 55.73 53.62 1xnt s ARG 127 Cb 0.00 -0.72 -0.01 0.00 -0.45 0.00 0.00 34.95 33.77 1xnt s ARG 127 CO 0.00 0.19 -0.07 0.54 -0.68 0.00 0.00 175.30 175.29 1xnt s VAL 128 N -0.37 0.52 -0.22 3.52 0.11 -0.01 -1.88 120.40 122.06 1xnt s VAL 128 Ca 0.02 -0.37 -0.05 0.00 -2.93 0.00 0.00 61.98 58.65 1xnt s VAL 128 Cb -0.05 -0.46 -0.02 0.00 -1.53 0.00 0.00 36.38 34.33 1xnt s VAL 128 CO -0.00 0.09 -0.00 -0.75 -3.33 0.00 0.00 175.10 171.10 1xnt s LYS 129 N -0.32 3.51 -0.26 1.54 2.20 -0.48 0.06 119.74 125.99 1xnt s LYS 129 Ca 0.01 -0.56 -0.01 0.00 -0.36 0.00 0.00 55.97 55.05 1xnt s LYS 129 Cb -0.03 -3.11 0.03 0.00 -1.51 0.00 0.00 37.83 33.21 1xnt s LYS 129 CO -0.00 -0.15 -0.06 0.42 -0.36 0.00 0.00 175.35 175.21 1xnt s ILE 130 N 1.41 2.84 -0.24 5.43 -1.09 0.11 -0.76 121.20 128.89 1xnt s ILE 130 Ca 0.05 -1.12 -0.02 0.00 -2.23 0.00 0.00 60.65 57.33 1xnt s ILE 130 Cb -0.15 -2.48 0.02 0.00 -1.58 0.00 0.00 42.46 38.27 1xnt s ILE 130 CO -0.00 0.14 -0.07 -0.69 -1.23 0.00 0.00 174.94 173.09 1xnt s VAL 131 N 1.30 2.91 -0.02 2.92 1.01 -0.50 0.02 120.40 128.03 1xnt s VAL 131 Ca -0.01 -0.89 -0.16 0.00 0.00 0.00 0.00 61.98 60.92 1xnt s VAL 131 Cb -0.17 -2.42 -0.05 0.00 0.00 0.00 0.00 36.38 33.73 1xnt s VAL 131 CO -0.04 0.29 0.44 0.00 0.00 0.00 0.00 175.10 175.79 1xnt s SER 133 N -0.64 1.01 0.00 0.00 0.15 0.17 -0.94 113.70 113.45 1xnt s SER 133 Ca 0.25 -0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.89 1xnt s SER 133 Cb -0.17 -0.25 0.00 0.00 -1.71 0.00 0.00 66.02 63.89 1xnt s SER 133 CO 0.13 -0.18 0.00 1.67 1.20 0.00 0.00 173.24 176.06 1xnt n GLN 134 N 4.85 0.00 -2.82 5.44 -0.06 -1.02 -0.83 117.38 122.93 1xnt n GLN 134 Ca -0.12 0.00 -0.43 0.00 -2.00 0.00 0.00 57.00 54.45 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 -0.35 3.36 0.00 3.69 0.04 -1.23 -4.19 135.00 136.33 1xnt s PRO 135 Ca 0.00 -1.17 0.00 0.00 0.04 0.00 0.00 61.00 59.87 1xnt s PRO 135 Cb 0.00 -4.62 0.00 0.00 0.04 0.00 0.00 34.50 29.92 1xnt s PRO 135 CO 0.00 -1.87 0.08 2.48 0.04 0.00 0.00 177.00 177.73 1xnt n TYR 136 N 7.55 0.00 -4.57 0.56 4.11 -1.19 -4.56 117.16 119.06 1xnt n TYR 136 Ca 0.12 0.00 -0.27 0.00 -0.00 0.00 0.00 57.90 57.74 1xnt n TYR 136 Cb 0.48 0.00 -0.08 0.00 -0.00 0.00 0.00 39.34 39.74 1xnt n TYR 136 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.86 175.74 1xnt s SER 137 N -0.44 3.10 0.00 9.48 0.01 -1.26 -4.81 113.70 119.77 1xnt s SER 137 Ca 0.00 -1.69 0.00 0.00 1.31 0.00 0.00 55.95 55.57 1xnt s SER 137 Cb 0.00 0.55 0.00 0.00 0.21 0.00 0.00 66.02 66.78 1xnt s SER 137 CO 0.00 -0.94 0.00 0.29 0.41 0.00 0.00 173.24 173.00 1xnt n LYS 138 N -1.00 0.00 -0.04 12.44 5.02 -1.26 -3.81 118.16 129.50 1xnt n LYS 138 Ca -0.09 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.15 1xnt n LYS 138 Cb 0.65 -0.06 -0.05 0.00 -0.02 0.00 0.00 35.03 35.55 1xnt n LYS 138 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1xnt n ASP 139 N -1.71 3.25 -4.85 4.39 5.75 -1.26 -3.10 116.55 119.03 1xnt n ASP 139 Ca 0.00 -0.03 -0.32 0.00 -0.01 0.00 0.00 54.79 54.43 1xnt n ASP 139 Cb 0.00 0.13 -0.06 0.00 -1.03 0.00 0.00 41.12 40.16 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 -4.57 5.99 0.82 -1.12 1.04 -1.26 -4.56 113.70 110.04 1xnt s SER 140 Ca -0.10 0.20 -0.07 0.00 0.48 0.00 0.00 55.95 56.47 1xnt s SER 140 Cb 0.03 -1.78 0.16 0.00 0.10 0.00 0.00 66.02 64.53 1xnt s SER 140 CO 0.24 0.22 1.13 -2.16 0.98 0.00 0.00 173.24 173.65 1xnt s PRO 141 N -2.11 1.22 0.00 4.02 0.04 -1.26 -4.08 135.00 132.83 1xnt s PRO 141 Ca 0.28 -0.89 0.00 0.00 0.04 0.00 0.00 61.00 60.44 1xnt s PRO 141 Cb -0.12 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.27 1xnt s PRO 141 CO 0.20 -1.86 0.00 1.19 0.04 0.00 0.00 177.00 176.58 1xnt n PHE 142 N -3.21 0.00 0.00 0.56 3.72 -1.26 -4.87 117.46 112.40 1xnt n PHE 142 Ca 0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.56 1xnt n PHE 142 Cb 0.60 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.14 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 -0.01 -0.77 3.60 1.37 0.00 -1.16 -1.15 105.19 107.07 1xnt n GLY 143 Ca 0.00 0.39 -0.30 0.00 0.00 0.00 0.00 46.02 46.11 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 3.13 0.11 0.99 1.02 -1.20 -0.96 118.68 121.78 1xnt s LEU 144 Ca 0.00 -0.31 0.13 0.00 0.02 0.00 0.00 54.13 53.97 1xnt s LEU 144 Cb 0.00 -1.89 -0.13 0.00 0.02 0.00 0.00 46.19 44.19 1xnt s LEU 144 CO 0.00 0.20 1.07 0.28 0.02 0.00 0.00 176.35 177.91 1xnt h SER 145 N 3.76 0.00 -5.77 2.29 0.02 -1.45 0.27 113.55 112.67 1xnt h SER 145 Ca -0.48 0.00 0.33 0.00 -0.84 0.00 0.00 61.79 60.80 1xnt h SER 145 Cb 1.17 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.58 1xnt h SER 145 CO 0.54 0.77 0.85 0.72 -1.14 0.00 0.00 176.83 178.56 1xnt s PHE 146 N -2.80 -0.04 -0.14 3.45 -0.71 -1.26 -4.46 117.98 112.02 1xnt s PHE 146 Ca -0.01 -0.05 -0.10 0.00 -1.04 0.00 0.00 56.93 55.73 1xnt s PHE 146 Cb 0.09 0.54 0.05 0.00 -1.21 0.00 0.00 43.02 42.48 1xnt s PHE 146 CO 0.80 -0.24 0.37 0.14 -1.34 0.00 0.00 175.22 174.94 1xnt s VAL 147 N -2.38 -0.02 -0.17 -2.49 -7.23 -1.26 -1.52 120.40 105.34 1xnt s VAL 147 Ca 0.14 0.06 -0.04 0.00 -1.81 0.00 0.00 61.98 60.33 1xnt s VAL 147 Cb 0.05 -0.53 0.08 0.00 0.56 0.00 0.00 36.38 36.54 1xnt s VAL 147 CO -0.04 0.02 0.23 -0.13 -0.31 0.00 0.00 175.10 174.87 1xnt s ARG 148 N 0.82 0.16 0.23 4.82 0.52 0.15 -4.92 118.95 120.73 1xnt s ARG 148 Ca -0.05 0.41 -0.05 0.00 -0.52 0.00 0.00 55.73 55.52 1xnt s ARG 148 Cb -0.06 -0.74 -0.06 0.00 0.52 0.00 0.00 34.95 34.61 1xnt s ARG 148 CO -0.06 -0.51 0.49 -0.06 0.02 0.00 0.00 175.30 175.18 1xnt s PHE 149 N 2.36 3.47 -0.09 -0.53 0.08 -1.23 0.39 117.98 122.42 1xnt s PHE 149 Ca 0.05 0.63 -0.06 0.00 0.12 0.00 0.00 56.93 57.68 1xnt s PHE 149 Cb -0.14 -2.08 0.04 0.00 -0.57 0.00 0.00 43.02 40.26 1xnt s PHE 149 CO -0.10 0.28 0.23 -1.01 -0.10 0.00 0.00 175.22 174.51 1xnt s HIS 150 N -1.90 -0.28 -2.35 0.36 3.76 -0.42 -1.49 115.29 112.97 1xnt s HIS 150 Ca 0.43 0.69 0.29 0.00 -0.15 0.00 0.00 55.06 56.32 1xnt s HIS 150 Cb -0.11 0.05 1.31 0.00 1.11 0.00 0.00 32.58 34.93 1xnt s HIS 150 CO 0.27 -0.19 1.89 0.45 -0.85 0.00 0.00 174.74 176.31