#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xnt s PRO 2 N 0.00 4.17 0.27 2.12 0.04 -1.26 -5.08 135.00 135.25 1xnt s PRO 2 Ca 0.00 0.76 -0.21 0.00 0.04 0.00 0.00 61.00 61.59 1xnt s PRO 2 Cb 0.00 -2.87 0.03 0.00 0.04 0.00 0.00 34.50 31.69 1xnt s PRO 2 CO 0.00 0.41 0.71 -2.00 0.04 0.00 0.00 177.00 176.16 1xnt s GLU 3 N -2.01 1.73 -0.12 4.56 2.56 -1.26 -4.62 118.70 119.54 1xnt s GLU 3 Ca 0.42 -0.94 0.01 0.00 0.00 0.00 0.00 54.97 54.46 1xnt s GLU 3 Cb -0.16 0.61 0.02 0.00 2.00 0.00 0.00 34.13 36.59 1xnt s GLU 3 CO 0.20 -0.79 -0.15 0.42 -0.56 0.00 0.00 175.26 174.38 1xnt s ILE 4 N -3.89 1.51 0.27 -3.70 1.01 -0.58 -4.55 121.20 111.26 1xnt s ILE 4 Ca 0.10 -0.63 0.07 0.00 0.00 0.00 0.00 60.65 60.19 1xnt s ILE 4 Cb -0.05 -1.40 -0.03 0.00 0.01 0.00 0.00 42.46 40.99 1xnt s ILE 4 CO 0.05 0.45 0.24 -0.60 0.00 0.00 0.00 174.94 175.07 1xnt s ARG 5 N 1.14 2.94 0.17 2.79 3.52 -1.26 -3.54 118.95 124.71 1xnt s ARG 5 Ca -0.03 -1.07 -0.04 0.00 -0.13 0.00 0.00 55.73 54.47 1xnt s ARG 5 Cb -0.14 -2.59 -0.05 0.00 -1.56 0.00 0.00 34.95 30.61 1xnt s ARG 5 CO -0.04 0.34 0.39 -0.51 -0.81 0.00 0.00 175.30 174.67 1xnt s LEU 6 N -3.89 4.24 -0.18 -0.88 1.02 -1.26 -2.92 118.68 114.81 1xnt s LEU 6 Ca 0.35 0.54 -0.13 0.00 0.02 0.00 0.00 54.13 54.91 1xnt s LEU 6 Cb -0.08 -3.28 -0.08 0.00 0.02 0.00 0.00 46.19 42.77 1xnt s LEU 6 CO 0.26 0.01 -0.29 -1.14 0.02 0.00 0.00 176.35 175.22 1xnt n ARG 7 N -0.16 0.45 -3.70 1.70 0.63 -0.59 -4.68 116.66 110.31 1xnt n ARG 7 Ca -0.03 0.19 -0.08 0.00 -0.92 0.00 0.00 57.85 57.01 1xnt n ARG 7 Cb 0.52 -1.27 -0.02 0.00 0.45 0.00 0.00 32.46 32.14 1xnt n ARG 7 CO 0.00 0.00 0.00 -3.38 -2.51 0.00 0.00 177.63 171.74 1xnt s HIS 8 N -2.55 -0.30 -0.87 -0.14 -3.43 -1.26 -5.01 115.29 101.73 1xnt s HIS 8 Ca -0.28 -0.06 -0.23 0.00 -0.80 0.00 0.00 55.06 53.70 1xnt s HIS 8 Cb 0.08 0.65 0.07 0.00 -1.43 0.00 0.00 32.58 31.95 1xnt s HIS 8 CO 0.37 -1.07 1.25 0.54 -2.00 0.00 0.00 174.74 173.83 1xnt s VAL 9 N -3.81 4.14 0.09 -5.38 0.11 -1.26 0.31 120.40 114.60 1xnt s VAL 9 Ca 0.08 -0.63 -0.35 0.00 -2.93 0.00 0.00 61.98 58.15 1xnt s VAL 9 Cb -0.04 -4.90 -0.16 0.00 -1.53 0.00 0.00 36.38 29.75 1xnt s VAL 9 CO -0.00 -1.73 1.55 1.62 -3.33 0.00 0.00 175.10 173.21 1xnt h VAL 10 N 6.26 0.00 -3.10 2.04 3.04 -1.66 -3.44 116.25 119.39 1xnt h VAL 10 Ca -0.00 0.00 -0.59 0.00 -1.01 0.00 0.00 66.70 65.09 1xnt h VAL 10 Cb 1.03 0.00 -0.18 0.00 -2.01 0.00 0.00 31.29 30.14 1xnt h VAL 10 CO 1.28 0.00 -0.80 -0.55 -1.01 0.00 0.00 177.57 176.49 1xnt s SER 11 N -4.48 3.14 -0.27 3.17 0.15 -0.22 -5.00 113.70 110.19 1xnt s SER 11 Ca -0.17 -0.89 -0.00 0.00 0.70 0.00 0.00 55.95 55.59 1xnt s SER 11 Cb 0.05 -0.22 0.15 0.00 -1.71 0.00 0.00 66.02 64.30 1xnt s SER 11 CO 0.60 0.04 0.43 0.00 1.20 0.00 0.00 173.24 175.51 1xnt n SER 13 N 5.37 6.58 0.00 0.00 7.64 0.20 -4.59 113.62 128.82 1xnt n SER 13 Ca -0.01 -3.73 0.00 0.00 1.01 0.00 0.00 58.87 56.14 1xnt n SER 13 Cb 0.50 -0.95 0.00 0.00 -1.01 0.00 0.00 64.21 62.75 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 -0.26 0.00 -4.02 6.43 3.41 -1.15 -2.09 113.62 115.94 1xnt n SER 14 Ca 0.45 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.87 1xnt n SER 14 Cb 0.32 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.12 1xnt n SER 14 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xnt s GLN 15 N 0.00 0.75 0.11 4.33 1.03 -1.26 -3.78 119.66 120.85 1xnt s GLN 15 Ca 0.00 -0.32 -0.05 0.00 0.04 0.00 0.00 55.36 55.02 1xnt s GLN 15 Cb 0.00 -0.73 -0.05 0.00 0.03 0.00 0.00 33.01 32.26 1xnt s GLN 15 CO 0.00 0.19 0.36 -0.51 -2.54 0.00 0.00 175.29 172.78 1xnt s ASP 16 N -0.18 6.51 0.07 12.60 1.01 -0.10 -3.26 116.67 133.32 1xnt s ASP 16 Ca 0.03 0.60 -0.27 0.00 0.71 0.00 0.00 52.55 53.62 1xnt s ASP 16 Cb -0.04 -2.10 -0.17 0.00 1.01 0.00 0.00 42.92 41.63 1xnt s ASP 16 CO -0.00 0.10 1.63 -1.28 0.21 0.00 0.00 175.17 175.83 1xnt h SER 17 N 3.12 -0.31 0.85 0.27 0.87 -1.90 -0.43 113.55 116.01 1xnt h SER 17 Ca -0.47 -0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.02 1xnt h SER 17 Cb 1.17 0.08 0.01 0.00 -0.44 0.00 0.00 62.40 63.22 1xnt h SER 17 CO 0.71 -0.17 -0.41 0.71 -0.53 0.00 0.00 176.83 177.14 1xnt h THR 18 N -0.43 0.15 -3.52 2.23 1.35 -1.97 -3.33 112.91 107.39 1xnt h THR 18 Ca -0.04 -0.03 -0.71 0.00 -0.55 0.00 0.00 66.41 65.08 1xnt h THR 18 Cb 0.32 0.15 -0.34 0.00 -1.73 0.00 0.00 68.15 66.56 1xnt h THR 18 CO 0.06 0.00 -0.21 -1.00 -0.25 0.00 0.00 175.52 174.13 1xnt s HIS 19 N -5.91 3.61 0.51 4.73 3.76 -1.21 -5.05 115.29 115.72 1xnt s HIS 19 Ca -0.19 -2.73 -0.00 0.00 -0.15 0.00 0.00 55.06 51.99 1xnt s HIS 19 Cb 0.03 -3.30 0.01 0.00 1.11 0.00 0.00 32.58 30.43 1xnt s HIS 19 CO 0.60 -0.83 0.74 0.00 -0.85 0.00 0.00 174.74 174.40 1xnt h ALA 21 N 0.19 1.28 0.00 0.00 0.00 -1.83 -1.19 119.26 117.72 1xnt h ALA 21 Ca -0.45 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1xnt h ALA 21 Cb 1.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1xnt h ALA 21 CO 0.56 0.06 0.00 1.49 0.00 0.00 0.00 179.25 181.35 1xnt h GLU 22 N 0.00 0.00 0.00 0.00 4.81 -1.94 -0.43 114.58 117.01 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 0.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.54 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 0.36 1.04 2.35 -1.52 -1.05 115.58 116.77 1xnt h ASN 23 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 1xnt h ASN 23 Cb 0.09 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.46 1xnt h ASN 23 CO 0.00 0.00 -0.14 -0.07 -1.65 0.00 0.00 177.43 175.57 1xnt h LEU 24 N 0.00 0.00 -2.54 1.61 3.38 -1.28 -0.94 115.31 115.55 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 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1xnt h LEU 24 CO 0.00 0.14 0.11 -0.07 0.09 0.00 0.00 178.44 178.71 1xnt h LEU 25 N 0.00 0.00 -6.12 1.67 -0.00 -1.38 -2.73 115.31 106.76 1xnt h LEU 25 Ca -0.00 0.00 -0.65 0.00 -0.00 0.00 0.00 57.88 57.23 1xnt h LEU 25 Cb 0.37 0.00 -0.39 0.00 -0.00 0.00 0.00 40.66 40.64 1xnt h LEU 25 CO 0.02 0.00 -0.26 0.29 -0.00 0.00 0.00 178.44 178.48 1xnt n LYS 26 N -3.38 3.21 0.02 1.13 4.76 -0.36 -4.88 118.16 118.67 1xnt n LYS 26 Ca -0.02 -4.70 0.22 0.00 -2.87 0.00 0.00 58.31 50.95 1xnt n LYS 26 Cb 0.19 -2.31 0.70 0.00 -1.84 0.00 0.00 35.03 31.76 1xnt n LYS 26 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xnt h ALA 27 N 4.12 2.31 -3.26 7.82 0.00 -1.65 -3.20 119.26 125.39 1xnt h ALA 27 Ca 0.21 -0.02 -0.63 0.00 0.00 0.00 0.00 54.91 54.47 1xnt h ALA 27 Cb 0.59 0.04 -0.41 0.00 0.00 0.00 0.00 17.79 18.02 1xnt h ALA 27 CO 0.94 -0.88 -0.65 -0.51 0.00 0.00 0.00 179.25 178.15 1xnt s ASP 28 N -4.95 4.21 0.00 0.00 1.01 -1.26 -4.92 116.67 110.76 1xnt s ASP 28 Ca -0.04 -3.04 0.00 0.00 0.71 0.00 0.00 52.55 50.18 1xnt s ASP 28 Cb 0.16 -1.51 0.00 0.00 1.01 0.00 0.00 42.92 42.57 1xnt s ASP 28 CO 0.54 -0.22 0.00 0.35 0.21 0.00 0.00 175.17 176.05 1xnt n THR 29 N 3.05 0.00 -2.12 -1.27 -2.24 -1.21 -5.07 114.28 105.42 1xnt n THR 29 Ca 0.08 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.85 1xnt n THR 29 Cb 0.33 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 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 -0.11 -0.11 -3.66 4.78 4.11 -1.26 -5.15 117.16 115.76 1xnt n TYR 30 Ca 0.00 -0.11 -0.12 0.00 -0.00 0.00 0.00 57.90 57.66 1xnt n TYR 30 Cb 0.00 0.49 -0.08 0.00 -0.00 0.00 0.00 39.34 39.75 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 0.69 0.36 -3.48 0.52 -1.26 -5.18 118.95 110.61 1xnt s ARG 31 Ca 0.00 0.91 0.00 0.00 -0.52 0.00 0.00 55.73 56.13 1xnt s ARG 31 Cb 0.02 0.29 -0.00 0.00 0.52 0.00 0.00 34.95 35.78 1xnt s ARG 31 CO -0.01 -0.10 0.01 1.63 0.02 0.00 0.00 175.30 176.85 1xnt n LYS 32 N 3.13 1.10 -2.67 3.54 5.02 -1.26 -4.68 118.16 122.34 1xnt n LYS 32 Ca -0.16 -2.64 -0.40 0.00 -2.02 0.00 0.00 58.31 53.09 1xnt n LYS 32 Cb 0.56 0.74 -0.05 0.00 -0.02 0.00 0.00 35.03 36.26 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 -2.33 3.83 -0.04 2.13 -0.00 0.02 -4.54 118.94 118.00 1xnt s TRP 33 Ca 0.01 1.81 -0.02 0.00 -0.00 0.00 0.00 56.10 57.91 1xnt s TRP 33 Cb 0.00 -3.08 0.03 0.00 -0.00 0.00 0.00 33.47 30.42 1xnt s TRP 33 CO 0.01 0.10 0.09 1.03 -0.00 0.00 0.00 176.95 178.17 1xnt s ARG 34 N -0.84 0.01 1.11 5.86 0.52 -1.14 -3.22 118.95 121.26 1xnt s ARG 34 Ca 0.44 0.31 -0.16 0.00 -0.52 0.00 0.00 55.73 55.80 1xnt s ARG 34 Cb -0.27 -0.25 0.14 0.00 0.52 0.00 0.00 34.95 35.10 1xnt s ARG 34 CO 0.33 -0.19 0.33 0.00 0.02 0.00 0.00 175.30 175.78 1xnt n ALA 35 N 4.39 -3.59 0.07 2.13 0.00 -0.37 -0.92 120.51 122.22 1xnt n ALA 35 Ca -0.23 -1.16 -0.07 0.00 0.00 0.00 0.00 53.44 51.97 1xnt n ALA 35 Cb 0.51 -1.69 -0.09 0.00 0.00 0.00 0.00 19.45 18.18 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 -2.15 0.39 -4.22 0.00 0.00 -1.64 -2.92 119.26 108.71 1xnt h ALA 36 Ca -0.54 -0.87 -0.15 0.00 0.00 0.00 0.00 54.91 53.35 1xnt h ALA 36 Cb 1.34 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 1xnt h ALA 36 CO 0.40 1.17 -0.11 1.17 0.00 0.00 0.00 179.25 181.89 1xnt n LYS 37 N -3.42 1.69 -0.66 0.00 4.81 -1.26 -4.73 118.16 114.60 1xnt n LYS 37 Ca -0.01 -0.83 0.00 0.00 -0.87 0.00 0.00 58.31 56.60 1xnt n LYS 37 Cb 0.91 0.23 0.00 0.00 0.02 0.00 0.00 35.03 36.19 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 -2.63 0.00 -3.37 3.14 0.00 -1.26 -4.36 120.51 112.02 1xnt n ALA 38 Ca -0.05 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.21 1xnt n ALA 38 Cb 0.14 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.67 1xnt n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xnt n GLY 39 N 5.00 -0.33 3.48 0.00 0.00 -1.26 -4.72 105.19 107.36 1xnt n GLY 39 Ca 0.00 0.09 -0.19 0.00 0.00 0.00 0.00 46.02 45.93 1xnt n GLY 39 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xnt n GLU 40 N -4.14 0.10 -0.11 1.61 4.71 -1.25 -4.62 120.64 116.93 1xnt n GLU 40 Ca -0.13 -0.17 -0.20 0.00 -0.01 0.00 0.00 57.16 56.65 1xnt n GLU 40 Cb 0.61 -1.51 -0.09 0.00 -1.01 0.00 0.00 31.44 29.43 1xnt n GLU 40 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 1xnt n LYS 41 N 6.04 0.53 -3.64 3.49 2.85 -1.26 -2.60 118.16 123.57 1xnt n LYS 41 Ca 0.59 0.17 -0.08 0.00 -1.05 0.00 0.00 58.31 57.93 1xnt n LYS 41 Cb 0.22 -1.40 -0.07 0.00 -0.65 0.00 0.00 35.03 33.13 1xnt n LYS 41 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1xnt s THR 42 N -2.44 0.00 -0.01 0.58 -4.23 -1.26 -0.94 115.64 107.34 1xnt s THR 42 Ca -0.31 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.21 1xnt s THR 42 Cb 0.10 -1.00 0.01 0.00 1.34 0.00 0.00 72.50 72.95 1xnt s THR 42 CO 0.47 0.00 -0.02 0.27 -0.54 0.00 0.00 174.62 174.80 1xnt s ILE 43 N 1.33 0.21 -0.05 2.99 -4.36 -0.56 -4.99 121.20 115.77 1xnt s ILE 43 Ca -0.08 -0.04 0.03 0.00 -0.26 0.00 0.00 60.65 60.30 1xnt s ILE 43 Cb -0.05 -0.23 -0.03 0.00 1.25 0.00 0.00 42.46 43.40 1xnt s ILE 43 CO -0.15 0.10 -0.10 -0.94 0.24 0.00 0.00 174.94 174.08 1xnt s SER 44 N 0.35 4.36 -0.24 4.36 1.04 -0.89 -0.59 113.70 122.10 1xnt s SER 44 Ca -0.03 -0.13 -0.02 0.00 0.48 0.00 0.00 55.95 56.25 1xnt s SER 44 Cb -0.06 -1.00 0.12 0.00 0.10 0.00 0.00 66.02 65.17 1xnt s SER 44 CO -0.01 0.34 0.29 0.54 0.98 0.00 0.00 173.24 175.38 1xnt s VAL 45 N -0.81 -0.42 -0.24 5.02 0.11 0.21 0.58 120.40 124.85 1xnt s VAL 45 Ca 0.13 -0.23 -0.19 0.00 -2.93 0.00 0.00 61.98 58.76 1xnt s VAL 45 Cb -0.11 -0.82 -0.03 0.00 -1.53 0.00 0.00 36.38 33.89 1xnt s VAL 45 CO 0.02 -0.28 0.55 -0.69 -3.33 0.00 0.00 175.10 171.37 1xnt s VAL 46 N 2.39 5.06 0.40 2.04 1.01 0.15 -1.12 120.40 130.33 1xnt s VAL 46 Ca 0.09 0.98 0.08 0.00 0.00 0.00 0.00 61.98 63.13 1xnt s VAL 46 Cb -0.15 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.37 1xnt s VAL 46 CO -0.20 0.10 0.54 -0.76 0.00 0.00 0.00 175.10 174.78 1xnt s LEU 47 N 2.12 3.71 0.08 3.92 1.02 0.88 -1.06 118.68 129.35 1xnt s LEU 47 Ca 0.24 -0.39 0.07 0.00 0.02 0.00 0.00 54.13 54.07 1xnt s LEU 47 Cb -0.16 -2.64 -0.04 0.00 0.02 0.00 0.00 46.19 43.37 1xnt s LEU 47 CO 0.09 -0.68 -0.13 -1.58 0.02 0.00 0.00 176.35 174.07 1xnt s GLN 48 N -4.30 2.09 -0.13 1.70 2.00 0.15 -1.47 119.66 119.71 1xnt s GLN 48 Ca 0.52 -1.01 -0.06 0.00 -2.00 0.00 0.00 55.36 52.81 1xnt s GLN 48 Cb -0.10 -2.26 -0.04 0.00 0.80 0.00 0.00 33.01 31.41 1xnt s GLN 48 CO 0.32 0.52 0.10 -0.51 -0.50 0.00 0.00 175.29 175.23 1xnt s LEU 49 N -1.91 4.15 -0.03 3.68 1.43 -0.55 -1.54 118.68 123.91 1xnt s LEU 49 Ca 0.18 0.33 -0.00 0.00 -1.03 0.00 0.00 54.13 53.62 1xnt s LEU 49 Cb -0.11 -2.01 0.01 0.00 0.03 0.00 0.00 46.19 44.11 1xnt s LEU 49 CO 0.10 0.35 2.03 1.21 0.23 0.00 0.00 176.35 180.27 1xnt n GLU 50 N 2.38 1.08 0.00 1.70 2.13 -1.15 -4.68 120.64 122.11 1xnt n GLU 50 Ca -0.19 -0.14 0.00 0.00 0.66 0.00 0.00 57.16 57.49 1xnt n GLU 50 Cb 0.54 -1.07 0.00 0.00 0.27 0.00 0.00 31.44 31.18 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 1.43 0.00 -2.38 5.31 2.85 -1.26 -5.02 118.16 119.09 1xnt n LYS 51 Ca 0.03 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.86 1xnt n LYS 51 Cb 0.51 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 -0.02 3.62 0.32 -1.58 2.12 -1.26 -4.70 118.70 117.21 1xnt s GLU 52 Ca 0.00 0.93 0.07 0.00 0.36 0.00 0.00 54.97 56.34 1xnt s GLU 52 Cb 0.00 -4.00 -0.03 0.00 0.26 0.00 0.00 34.13 30.36 1xnt s GLU 52 CO 0.00 -1.50 0.28 -0.85 -0.54 0.00 0.00 175.26 172.65 1xnt n GLU 53 N 7.98 0.41 -2.54 4.30 -0.00 0.26 -4.71 120.64 126.34 1xnt n GLU 53 Ca 0.16 -3.23 -0.24 0.00 -0.00 0.00 0.00 57.16 53.85 1xnt n GLU 53 Cb 0.48 2.67 0.12 0.00 -0.00 0.00 0.00 31.44 34.70 1xnt n GLU 53 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 1xnt s GLN 54 N -3.30 1.56 -0.17 3.44 -0.21 -1.26 0.35 119.66 120.07 1xnt s GLN 54 Ca 0.39 -1.08 -0.00 0.00 0.02 0.00 0.00 55.36 54.68 1xnt s GLN 54 Cb 0.02 -2.29 0.04 0.00 1.00 0.00 0.00 33.01 31.78 1xnt s GLN 54 CO 0.27 -1.55 -0.07 0.42 -2.12 0.00 0.00 175.29 172.24 1xnt s ILE 55 N -3.21 1.25 -0.17 1.08 1.09 -0.12 -4.52 121.20 116.60 1xnt s ILE 55 Ca 0.67 -0.69 0.14 0.00 -1.10 0.00 0.00 60.65 59.67 1xnt s ILE 55 Cb -0.05 -1.38 -0.20 0.00 -1.06 0.00 0.00 42.46 39.77 1xnt s ILE 55 CO 0.45 0.17 0.04 1.57 -0.10 0.00 0.00 174.94 177.07 1xnt n HIS 56 N 4.83 0.00 -3.82 3.97 -0.00 -1.15 -4.59 115.22 114.46 1xnt n HIS 56 Ca -0.13 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 57.96 1xnt n HIS 56 Cb 0.48 -0.83 -0.07 0.00 -0.12 0.00 0.00 29.99 29.45 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 -5.15 0.04 0.05 0.26 0.01 -0.21 -1.64 113.70 107.07 1xnt s SER 57 Ca -0.10 -0.54 -0.03 0.00 1.31 0.00 0.00 55.95 56.59 1xnt s SER 57 Cb 0.05 0.35 -0.03 0.00 0.21 0.00 0.00 66.02 66.61 1xnt s SER 57 CO 0.67 -0.72 0.03 -0.69 0.41 0.00 0.00 173.24 172.95 1xnt s VAL 58 N -3.61 0.18 -0.01 3.43 1.01 -0.50 -1.61 120.40 119.30 1xnt s VAL 58 Ca 0.03 -1.49 -0.00 0.00 0.00 0.00 0.00 61.98 60.51 1xnt s VAL 58 Cb 0.03 -1.27 0.01 0.00 0.00 0.00 0.00 36.38 35.15 1xnt s VAL 58 CO -0.10 -0.82 0.01 -1.81 0.00 0.00 0.00 175.10 172.38 1xnt s ASP 59 N -2.64 0.01 -0.26 3.32 1.11 0.30 0.08 116.67 118.59 1xnt s ASP 59 Ca 0.03 0.02 -0.15 0.00 0.18 0.00 0.00 52.55 52.63 1xnt s ASP 59 Cb 0.04 -0.00 0.08 0.00 1.07 0.00 0.00 42.92 44.10 1xnt s ASP 59 CO -0.08 -0.03 0.63 -0.63 1.18 0.00 0.00 175.17 176.24 1xnt s ILE 60 N 0.23 -0.01 -0.17 0.77 1.09 -0.43 0.26 121.20 122.94 1xnt s ILE 60 Ca -0.02 0.02 -0.07 0.00 -1.10 0.00 0.00 60.65 59.48 1xnt s ILE 60 Cb -0.03 -0.92 -0.04 0.00 -1.06 0.00 0.00 42.46 40.41 1xnt s ILE 60 CO -0.01 0.01 0.08 -0.83 -0.10 0.00 0.00 174.94 174.09 1xnt s GLY 61 N 1.55 1.96 -0.16 6.18 0.00 -0.66 -1.23 107.32 114.97 1xnt s GLY 61 Ca -0.10 -0.72 -0.19 0.00 0.00 0.00 0.00 44.72 43.71 1xnt s GLY 61 CO -0.18 -0.05 0.55 0.54 0.00 0.00 0.00 173.10 173.96 1xnt s ASN 62 N 0.05 6.68 -1.11 1.64 4.22 -0.82 -1.28 114.94 124.31 1xnt s ASN 62 Ca 0.07 0.81 -0.03 0.00 -2.14 0.00 0.00 52.86 51.56 1xnt s ASN 62 Cb -0.12 -2.31 0.28 0.00 1.28 0.00 0.00 41.25 40.37 1xnt s ASN 62 CO 0.00 -0.13 1.80 -0.67 -2.04 0.00 0.00 177.10 176.07 1xnt n ASP 63 N 4.34 6.97 0.00 3.54 -0.08 -0.47 -3.31 116.55 127.54 1xnt n ASP 63 Ca -0.05 -3.48 0.00 0.00 -1.51 0.00 0.00 54.79 49.76 1xnt n ASP 63 Cb 0.51 -1.26 0.00 0.00 2.34 0.00 0.00 41.12 42.71 1xnt n ASP 63 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1xnt n GLY 64 N 0.87 2.55 3.54 0.27 0.00 -1.22 -4.14 105.19 107.06 1xnt n GLY 64 Ca 0.42 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.11 1xnt n GLY 64 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xnt n SER 65 N 0.00 -0.74 0.04 1.61 7.64 -1.25 -4.87 113.62 116.05 1xnt n SER 65 Ca 0.00 0.44 -0.00 0.00 1.01 0.00 0.00 58.87 60.32 1xnt n SER 65 Cb 0.00 -1.34 -0.00 0.00 -1.01 0.00 0.00 64.21 61.86 1xnt n SER 65 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xnt n ALA 66 N -3.51 2.96 -2.73 -0.43 0.00 -1.26 -3.92 120.51 111.62 1xnt n ALA 66 Ca 0.10 -0.02 -0.35 0.00 0.00 0.00 0.00 53.44 53.17 1xnt n ALA 66 Cb 0.52 0.28 -0.08 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 -2.02 3.41 -0.19 0.00 0.08 -0.10 -0.05 117.98 119.11 1xnt s PHE 67 Ca -0.01 0.36 -0.01 0.00 0.12 0.00 0.00 56.93 57.39 1xnt s PHE 67 Cb 0.00 -2.18 0.05 0.00 -0.57 0.00 0.00 43.02 40.33 1xnt s PHE 67 CO 0.01 0.28 -0.02 0.08 -0.10 0.00 0.00 175.22 175.48 1xnt s VAL 68 N 0.37 0.98 0.02 -0.44 1.01 -0.09 0.59 120.40 122.84 1xnt s VAL 68 Ca 0.09 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.33 1xnt s VAL 68 Cb -0.11 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 1xnt s VAL 68 CO -0.01 -0.07 0.06 -0.70 0.00 0.00 0.00 175.10 174.38 1xnt s GLU 69 N 1.66 2.94 -0.05 2.72 2.12 -0.51 0.28 118.70 127.87 1xnt s GLU 69 Ca -0.02 -0.57 0.00 0.00 0.36 0.00 0.00 54.97 54.74 1xnt s GLU 69 Cb -0.17 -2.77 0.03 0.00 0.26 0.00 0.00 34.13 31.47 1xnt s GLU 69 CO -0.07 0.62 -0.02 0.08 -0.54 0.00 0.00 175.26 175.33 1xnt s VAL 70 N -1.21 0.37 0.27 3.70 1.01 -0.62 -1.22 120.40 122.70 1xnt s VAL 70 Ca 0.23 0.02 0.10 0.00 0.00 0.00 0.00 61.98 62.33 1xnt s VAL 70 Cb -0.12 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 1xnt s VAL 70 CO 0.15 0.21 -0.01 -0.76 0.00 0.00 0.00 175.10 174.69 1xnt s LEU 71 N 1.29 3.14 0.23 3.92 1.02 -0.24 -1.70 118.68 126.35 1xnt s LEU 71 Ca -0.06 -0.70 0.11 0.00 0.02 0.00 0.00 54.13 53.51 1xnt s LEU 71 Cb -0.13 -1.65 -0.05 0.00 0.02 0.00 0.00 46.19 44.37 1xnt s LEU 71 CO -0.02 -0.02 -0.20 0.68 0.02 0.00 0.00 176.35 176.81 1xnt s VAL 72 N -2.35 2.27 0.00 -1.59 -7.23 0.25 -1.46 120.40 110.29 1xnt s VAL 72 Ca 0.32 -2.22 0.00 0.00 -1.81 0.00 0.00 61.98 58.27 1xnt s VAL 72 Cb -0.06 -2.16 0.00 0.00 0.56 0.00 0.00 36.38 34.72 1xnt s VAL 72 CO 0.20 -0.34 0.00 0.61 -0.31 0.00 0.00 175.10 175.26 1xnt n GLY 73 N -0.23 0.07 3.61 2.32 0.00 -0.96 0.23 105.19 110.24 1xnt n GLY 73 Ca -0.08 -0.90 -0.24 0.00 0.00 0.00 0.00 46.02 44.80 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 4.38 0.00 1.61 0.15 -1.26 -0.85 113.70 117.73 1xnt s SER 74 Ca 0.00 -0.67 0.20 0.00 0.70 0.00 0.00 55.95 56.18 1xnt s SER 74 Cb 0.00 -0.76 1.06 0.00 -1.71 0.00 0.00 66.02 64.61 1xnt s SER 74 CO 0.00 0.03 1.64 -1.20 1.20 0.00 0.00 173.24 174.91 1xnt n SER 75 N -0.66 0.00 -4.68 5.45 7.64 -1.26 -4.83 113.62 115.28 1xnt n SER 75 Ca -0.07 -0.09 -0.35 0.00 1.01 0.00 0.00 58.87 59.37 1xnt n SER 75 Cb 0.58 -0.25 0.11 0.00 -1.01 0.00 0.00 64.21 63.64 1xnt n SER 75 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xnt n ALA 76 N -1.25 0.15 -2.55 -0.43 0.00 -1.26 -4.29 120.51 110.88 1xnt n ALA 76 Ca 0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 53.44 53.30 1xnt n ALA 76 Cb 0.15 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.38 1xnt n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xnt n GLY 77 N 0.78 -3.53 3.63 0.00 0.00 -1.26 -4.84 105.19 99.97 1xnt n GLY 77 Ca 0.14 0.50 -0.31 0.00 0.00 0.00 0.00 46.02 46.35 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 0.41 -0.65 3.25 -0.02 0.00 -1.26 -3.11 105.19 103.82 1xnt n GLY 78 Ca 0.02 -0.75 -0.23 0.00 0.00 0.00 0.00 46.02 45.06 1xnt n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xnt n ALA 79 N -4.24 -1.10 -1.00 4.61 0.00 -1.26 -4.97 120.51 112.54 1xnt n ALA 79 Ca 0.11 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1xnt n ALA 79 Cb 0.52 -4.58 0.00 0.00 0.00 0.00 0.00 19.45 15.40 1xnt n ALA 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xnt n GLY 80 N -1.73 0.75 1.34 0.00 0.00 -1.18 -5.05 105.19 99.33 1xnt n GLY 80 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1xnt n GLY 80 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xnt n GLU 81 N 0.00 -3.84 -1.71 1.61 1.02 -1.26 -4.64 120.64 111.82 1xnt n GLU 81 Ca 0.00 2.87 -0.19 0.00 -0.02 0.00 0.00 57.16 59.82 1xnt n GLU 81 Cb 0.00 -3.25 -0.07 0.00 -0.02 0.00 0.00 31.44 28.10 1xnt n GLU 81 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1xnt n GLN 82 N -1.02 -1.49 -1.75 3.49 6.02 -1.26 -4.80 117.38 116.58 1xnt n GLN 82 Ca 0.00 1.10 -0.01 0.00 -0.01 0.00 0.00 57.00 58.09 1xnt n GLN 82 Cb 0.03 -5.52 0.07 0.00 1.02 0.00 0.00 30.24 25.84 1xnt n GLN 82 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1xnt n ASP 83 N -1.34 1.85 -2.99 1.08 2.03 -1.26 -5.07 116.55 110.85 1xnt n ASP 83 Ca -0.20 -2.64 -0.07 0.00 0.52 0.00 0.00 54.79 52.40 1xnt n ASP 83 Cb 0.64 -0.40 0.02 0.00 -0.72 0.00 0.00 41.12 40.66 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 -0.30 -2.55 -5.15 -0.67 4.02 -1.26 -4.91 117.16 106.35 1xnt n TYR 84 Ca 0.14 -0.72 -0.31 0.00 -0.01 0.00 0.00 57.90 57.00 1xnt n TYR 84 Cb 0.94 -0.18 -0.17 0.00 -0.02 0.00 0.00 39.34 39.91 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 -2.87 2.83 -0.97 -0.72 0.41 0.14 -4.89 118.70 112.62 1xnt s GLU 85 Ca 0.19 -0.82 -0.26 0.00 -0.41 0.00 0.00 54.97 53.67 1xnt s GLU 85 Cb -0.02 -2.17 -0.15 0.00 -1.78 0.00 0.00 34.13 30.01 1xnt s GLU 85 CO 0.12 0.18 2.16 0.08 -0.49 0.00 0.00 175.26 177.31 1xnt s VAL 86 N 0.32 3.17 0.07 2.63 1.01 -1.26 -0.58 120.40 125.76 1xnt s VAL 86 Ca -0.17 -0.22 -0.37 0.00 0.00 0.00 0.00 61.98 61.22 1xnt s VAL 86 Cb -0.17 -3.76 -0.19 0.00 0.00 0.00 0.00 36.38 32.25 1xnt s VAL 86 CO 0.08 -0.33 1.57 0.25 0.00 0.00 0.00 175.10 176.67 1xnt h LEU 87 N 21.06 -1.24 -7.40 3.92 5.85 -1.81 -3.41 115.31 132.27 1xnt h LEU 87 Ca 0.05 0.07 -0.40 0.00 0.84 0.00 0.00 57.88 58.44 1xnt h LEU 87 Cb 0.99 0.36 -0.38 0.00 0.37 0.00 0.00 40.66 42.00 1xnt h LEU 87 CO 1.07 -0.76 -0.75 -1.48 -0.34 0.00 0.00 178.44 176.18 1xnt s LEU 88 N -10.05 0.40 1.16 2.25 0.05 -0.69 -1.27 118.68 110.54 1xnt s LEU 88 Ca -0.19 -0.00 -0.17 0.00 0.05 0.00 0.00 54.13 53.82 1xnt s LEU 88 Cb 0.03 -0.28 0.25 0.00 -2.05 0.00 0.00 46.19 44.14 1xnt s LEU 88 CO 0.60 -0.22 0.55 1.33 -0.55 0.00 0.00 176.35 178.07 1xnt n VAL 89 N 5.17 0.00 -2.00 1.48 0.24 -1.26 -1.60 118.33 120.36 1xnt n VAL 89 Ca -0.06 -0.02 -0.41 0.00 -2.04 0.00 0.00 64.34 61.80 1xnt n VAL 89 Cb 0.50 -0.67 -0.02 0.00 -1.47 0.00 0.00 33.84 32.18 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 -2.09 2.66 -0.19 3.34 -1.32 -1.26 -4.28 115.64 112.51 1xnt s THR 90 Ca 0.46 0.54 -0.05 0.00 -1.21 0.00 0.00 61.69 61.43 1xnt s THR 90 Cb -0.08 -3.35 -0.03 0.00 -1.51 0.00 0.00 72.50 67.53 1xnt s THR 90 CO 0.40 0.08 0.01 -0.94 -2.21 0.00 0.00 174.62 171.96 1xnt s SER 91 N 0.46 4.94 -0.08 8.08 1.04 0.14 -4.68 113.70 123.60 1xnt s SER 91 Ca 0.61 -0.16 -0.26 0.00 0.48 0.00 0.00 55.95 56.62 1xnt s SER 91 Cb -0.42 -1.84 -0.03 0.00 0.10 0.00 0.00 66.02 63.83 1xnt s SER 91 CO 0.42 0.09 0.84 -0.94 0.98 0.00 0.00 173.24 174.62 1xnt s SER 92 N 0.86 7.10 0.00 7.02 1.04 -1.24 -0.91 113.70 127.56 1xnt s SER 92 Ca 0.01 1.34 0.00 0.00 0.48 0.00 0.00 55.95 57.78 1xnt s SER 92 Cb -0.14 -2.48 0.00 0.00 0.10 0.00 0.00 66.02 63.50 1xnt s SER 92 CO 0.02 -0.26 0.00 0.49 0.98 0.00 0.00 173.24 174.47 1xnt n PHE 93 N 4.32 0.00 -4.51 5.02 3.72 0.92 -4.97 117.46 121.96 1xnt n PHE 93 Ca 0.03 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.21 1xnt n PHE 93 Cb 0.50 0.02 -0.05 0.00 -0.94 0.00 0.00 39.48 39.01 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 -2.88 1.04 -4.67 -1.08 2.81 -1.25 -5.05 117.12 106.04 1xnt n MET 94 Ca 0.00 -2.61 -0.30 0.00 -1.81 0.00 0.00 57.70 52.98 1xnt n MET 94 Cb 0.48 0.82 -0.09 0.00 -0.71 0.00 0.00 33.22 33.71 1xnt n MET 94 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1xnt s SER 95 N -2.95 3.91 0.00 7.83 1.04 -1.26 -4.67 113.70 117.60 1xnt s SER 95 Ca 0.03 -1.50 0.08 0.00 0.48 0.00 0.00 55.95 55.03 1xnt s SER 95 Cb 0.00 0.04 0.25 0.00 0.10 0.00 0.00 66.02 66.41 1xnt s SER 95 CO 0.02 -0.65 1.19 -0.81 0.98 0.00 0.00 173.24 173.98 1xnt n PRO 96 N -1.09 1.48 0.00 4.02 -0.04 -1.26 -3.48 135.00 134.63 1xnt n PRO 96 Ca -0.11 -0.74 0.00 0.00 -0.04 0.00 0.00 63.50 62.61 1xnt n PRO 96 Cb 0.67 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.95 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 0.09 4.33 0.17 3.54 7.64 -1.26 -4.70 113.62 123.41 1xnt n SER 97 Ca 0.08 0.00 0.09 0.00 1.01 0.00 0.00 58.87 60.04 1xnt n SER 97 Cb 0.18 0.24 0.09 0.00 -1.01 0.00 0.00 64.21 63.71 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 -0.04 1.43 4.11 -1.84 -3.27 114.58 114.97 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 0.96 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.21 1xnt h GLU 98 CO 0.00 0.15 0.10 0.66 0.07 0.00 0.00 179.01 179.98 1xnt h SER 99 N 0.00 0.00 0.00 3.06 4.64 -1.75 -3.17 113.55 116.33 1xnt h SER 99 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1xnt h SER 99 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1xnt h SER 99 CO 0.02 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.52 1xnt n ARG 100 N -3.34 0.00 -2.40 4.77 1.74 -1.24 -4.58 116.66 111.62 1xnt n ARG 100 Ca -0.02 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.04 1xnt n ARG 100 Cb 0.18 -0.64 0.10 0.00 -1.02 0.00 0.00 32.46 31.08 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 -0.34 -1.26 -0.01 0.55 2.88 -1.23 -4.81 113.62 109.40 1xnt n SER 101 Ca 0.00 -2.05 0.02 0.00 -1.33 0.00 0.00 58.87 55.51 1xnt n SER 101 Cb 0.00 0.58 -0.05 0.00 -0.75 0.00 0.00 64.21 63.99 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 -1.26 -0.31 3.23 0.46 0.00 -1.22 -5.03 105.19 101.07 1xnt n GLY 102 Ca -0.17 -0.15 0.03 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.02 -0.22 -0.54 1.61 0.01 -1.20 -5.02 113.70 105.31 1xnt s SER 103 Ca -0.03 0.28 -0.29 0.00 1.31 0.00 0.00 55.95 57.23 1xnt s SER 103 Cb 0.04 1.24 0.04 0.00 0.21 0.00 0.00 66.02 67.55 1xnt s SER 103 CO 0.28 -0.04 0.65 -0.46 0.41 0.00 0.00 173.24 174.08 1xnt n ASN 104 N 4.76 -5.45 0.07 2.44 6.94 -1.26 -4.35 115.26 118.41 1xnt n ASN 104 Ca -0.07 -0.33 -0.04 0.00 -0.02 0.00 0.00 54.58 54.11 1xnt n ASN 104 Cb 0.55 -1.82 -0.08 0.00 -2.36 0.00 0.00 39.78 36.06 1xnt n ASN 104 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 1xnt h PRO 105 N 1.49 0.00 -2.44 -0.53 0.13 -1.81 -3.41 132.00 125.43 1xnt h PRO 105 Ca -0.56 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.07 1xnt h PRO 105 Cb 1.39 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 32.15 1xnt h PRO 105 CO 0.26 0.81 -0.78 -0.80 -0.23 0.00 0.00 178.00 177.26 1xnt s ASN 106 N -6.57 2.56 0.30 1.44 0.02 -1.26 -3.37 114.94 108.07 1xnt s ASN 106 Ca 0.01 -1.76 0.01 0.00 -1.02 0.00 0.00 52.86 50.11 1xnt s ASN 106 Cb 0.09 -0.09 -0.00 0.00 0.02 0.00 0.00 41.25 41.26 1xnt s ASN 106 CO 0.80 -0.33 0.03 0.54 0.02 0.00 0.00 177.10 178.17 1xnt n ARG 107 N 4.43 1.03 -4.18 -0.60 1.74 -1.21 -5.00 116.66 112.87 1xnt n ARG 107 Ca 0.07 -2.31 -0.12 0.00 -0.77 0.00 0.00 57.85 54.72 1xnt n ARG 107 Cb 0.41 0.84 -0.10 0.00 -1.02 0.00 0.00 32.46 32.59 1xnt n ARG 107 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1xnt s VAL 108 N -2.30 0.81 0.05 1.55 -7.23 -1.26 -1.94 120.40 110.07 1xnt s VAL 108 Ca 0.05 -1.83 -0.01 0.00 -1.81 0.00 0.00 61.98 58.38 1xnt s VAL 108 Cb 0.00 -1.56 -0.04 0.00 0.56 0.00 0.00 36.38 35.34 1xnt s VAL 108 CO 0.03 -0.75 -0.03 -0.13 -0.31 0.00 0.00 175.10 173.91 1xnt s ARG 109 N -3.44 0.61 0.19 4.82 3.00 -0.37 -4.86 118.95 118.90 1xnt s ARG 109 Ca 0.10 -1.21 0.01 0.00 0.00 0.00 0.00 55.73 54.63 1xnt s ARG 109 Cb 0.02 0.20 -0.05 0.00 0.00 0.00 0.00 34.95 35.13 1xnt s ARG 109 CO -0.03 -0.11 0.04 -1.64 0.00 0.00 0.00 175.30 173.57 1xnt s MET 110 N -3.87 1.17 0.31 3.54 -1.94 -1.26 -1.32 119.30 115.93 1xnt s MET 110 Ca 0.07 -1.59 0.03 0.00 -1.71 0.00 0.00 55.69 52.49 1xnt s MET 110 Cb 0.08 -0.18 -0.06 0.00 2.01 0.00 0.00 34.83 36.67 1xnt s MET 110 CO -0.10 -0.20 0.06 -0.06 -0.01 0.00 0.00 175.02 174.71 1xnt s PHE 111 N -3.75 1.86 0.00 -0.03 0.40 0.11 -4.96 117.98 111.61 1xnt s PHE 111 Ca 0.28 -0.99 0.00 0.00 -0.60 0.00 0.00 56.93 55.62 1xnt s PHE 111 Cb 0.07 -1.18 0.00 0.00 0.51 0.00 0.00 43.02 42.41 1xnt s PHE 111 CO 0.07 -0.06 0.00 0.41 0.70 0.00 0.00 175.22 176.34 1xnt n GLY 112 N -0.63 5.47 0.21 4.36 0.00 -1.26 -1.40 105.19 111.94 1xnt n GLY 112 Ca -0.02 -1.11 -0.18 0.00 0.00 0.00 0.00 46.02 44.71 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 0.73 0.00 1.61 0.13 -1.66 -3.16 132.00 129.65 1xnt h PRO 113 Ca 0.00 -0.68 -0.05 0.00 -0.87 0.00 0.00 66.00 64.40 1xnt h PRO 113 Cb 0.00 0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.29 1xnt h PRO 113 CO 0.00 1.28 -0.24 -0.44 -0.23 0.00 0.00 178.00 178.37 1xnt h ASP 114 N 0.45 0.00 -0.10 1.44 3.32 -1.97 -1.60 116.42 117.97 1xnt h ASP 114 Ca -0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1xnt h ASP 114 Cb 1.55 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.10 1xnt h ASP 114 CO 0.18 0.24 0.00 0.29 -1.72 0.00 0.00 179.24 178.23 1xnt n LYS 115 N -4.09 1.67 -5.05 3.56 4.01 -1.21 -4.85 118.16 112.21 1xnt n LYS 115 Ca -0.02 -1.00 -0.28 0.00 -0.51 0.00 0.00 58.31 56.50 1xnt n LYS 115 Cb 0.30 -1.43 -0.16 0.00 -0.51 0.00 0.00 35.03 33.24 1xnt n LYS 115 CO 0.00 0.00 0.00 -0.48 -1.11 0.00 0.00 177.40 175.81 1xnt s LEU 116 N -1.74 2.03 0.21 -0.35 0.05 -0.60 -4.04 118.68 114.23 1xnt s LEU 116 Ca 0.35 -0.40 -0.32 0.00 0.05 0.00 0.00 54.13 53.81 1xnt s LEU 116 Cb 0.19 -1.11 -0.12 0.00 -2.05 0.00 0.00 46.19 43.09 1xnt s LEU 116 CO 0.29 0.24 1.70 0.55 -0.55 0.00 0.00 176.35 178.59 1xnt n VAL 117 N 2.69 0.07 0.08 1.48 3.14 -0.40 -4.83 118.33 120.55 1xnt n VAL 117 Ca -0.16 -0.02 -0.08 0.00 -2.96 0.00 0.00 64.34 61.12 1xnt n VAL 117 Cb 0.53 -1.94 0.03 0.00 -1.06 0.00 0.00 33.84 31.40 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 6.55 0.27 0.00 1.45 3.08 -1.93 0.85 114.38 124.65 1xnt h ARG 118 Ca -0.43 -0.24 -0.00 0.00 0.07 0.00 0.00 59.98 59.37 1xnt h ARG 118 Cb 1.21 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 31.31 1xnt h ARG 118 CO 0.94 0.91 -0.02 0.00 -1.07 0.00 0.00 179.97 180.73 1xnt h ALA 119 N 1.01 1.06 0.00 0.04 0.00 -2.00 -3.12 119.26 116.25 1xnt h ALA 119 Ca -0.03 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1xnt h ALA 119 Cb 1.35 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1xnt h ALA 119 CO 0.12 0.03 -1.23 0.00 0.00 0.00 0.00 179.25 178.17 1xnt n ALA 120 N -2.12 2.46 -0.34 0.00 0.00 -1.13 -4.61 120.51 114.77 1xnt n ALA 120 Ca -0.02 -0.17 0.20 0.00 0.00 0.00 0.00 53.44 53.45 1xnt n ALA 120 Cb 0.18 0.43 0.43 0.00 0.00 0.00 0.00 19.45 20.50 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 -0.10 1.97 -0.00 0.00 0.00 0.64 0.81 119.26 122.57 1xnt h ALA 121 Ca -0.10 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xnt h ALA 121 Cb 1.11 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1xnt h ALA 121 CO -0.05 -0.41 0.00 -0.85 0.00 0.00 0.00 179.25 177.94 1xnt n GLU 122 N -4.78 1.01 -3.41 0.00 -0.00 -1.18 -0.94 120.64 111.34 1xnt n GLU 122 Ca 0.26 -0.01 -0.38 0.00 -0.00 0.00 0.00 57.16 57.03 1xnt n GLU 122 Cb 0.80 -1.47 -0.06 0.00 -0.00 0.00 0.00 31.44 30.71 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 -2.00 4.12 -0.25 3.44 1.02 0.28 -4.84 119.74 121.51 1xnt s LYS 123 Ca 0.45 0.44 -0.29 0.00 0.02 0.00 0.00 55.97 56.59 1xnt s LYS 123 Cb 0.21 -3.31 -0.03 0.00 -0.52 0.00 0.00 37.83 34.18 1xnt s LYS 123 CO 0.35 0.47 1.71 1.03 -0.92 0.00 0.00 175.35 177.99 1xnt s ARG 124 N -0.38 3.63 0.36 1.68 0.52 -1.26 -4.30 118.95 119.20 1xnt s ARG 124 Ca 0.25 1.63 0.09 0.00 -0.52 0.00 0.00 55.73 57.17 1xnt s ARG 124 Cb -0.16 -4.11 -0.06 0.00 0.52 0.00 0.00 34.95 31.15 1xnt s ARG 124 CO 0.12 -1.50 0.04 -1.58 0.02 0.00 0.00 175.30 172.40 1xnt s TRP 125 N 5.85 2.56 0.00 -0.53 0.52 0.16 -4.70 118.94 122.80 1xnt s TRP 125 Ca 0.76 -0.47 0.00 0.00 0.02 0.00 0.00 56.10 56.41 1xnt s TRP 125 Cb -0.25 -1.58 0.00 0.00 -1.15 0.00 0.00 33.47 30.49 1xnt s TRP 125 CO 0.32 0.43 0.76 -0.40 0.02 0.00 0.00 176.95 178.07 1xnt n ASP 126 N -1.00 0.00 -3.84 2.95 5.68 -0.57 -0.57 116.55 119.20 1xnt n ASP 126 Ca -0.04 -1.53 -0.12 0.00 -0.50 0.00 0.00 54.79 52.60 1xnt n ASP 126 Cb 0.63 -0.11 -0.10 0.00 -1.14 0.00 0.00 41.12 40.40 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 0.00 0.45 0.01 0.11 0.52 -0.03 -1.49 118.95 118.52 1xnt s ARG 127 Ca 0.00 -0.21 0.01 0.00 -0.52 0.00 0.00 55.73 55.01 1xnt s ARG 127 Cb 0.00 0.19 -0.01 0.00 0.52 0.00 0.00 34.95 35.65 1xnt s ARG 127 CO 0.00 -0.10 -0.04 0.54 0.02 0.00 0.00 175.30 175.72 1xnt s VAL 128 N -1.03 0.30 -0.34 3.52 0.11 -0.54 -2.26 120.40 120.16 1xnt s VAL 128 Ca -0.11 -0.34 -0.05 0.00 -2.93 0.00 0.00 61.98 58.55 1xnt s VAL 128 Cb -0.06 -0.29 0.05 0.00 -1.53 0.00 0.00 36.38 34.55 1xnt s VAL 128 CO 0.02 -0.03 0.11 -0.75 -3.33 0.00 0.00 175.10 171.11 1xnt s LYS 129 N -0.39 2.51 -0.21 1.54 2.20 -0.53 -0.08 119.74 124.77 1xnt s LYS 129 Ca -0.01 -1.29 -0.09 0.00 -0.36 0.00 0.00 55.97 54.21 1xnt s LYS 129 Cb -0.03 -3.44 -0.04 0.00 -1.51 0.00 0.00 37.83 32.81 1xnt s LYS 129 CO -0.00 -0.73 0.11 0.42 -0.36 0.00 0.00 175.35 174.79 1xnt s ILE 130 N 1.34 5.06 -0.14 5.43 -1.09 -0.28 -1.07 121.20 130.45 1xnt s ILE 130 Ca -0.01 0.07 -0.01 0.00 -2.23 0.00 0.00 60.65 58.47 1xnt s ILE 130 Cb -0.20 -3.32 0.04 0.00 -1.58 0.00 0.00 42.46 37.40 1xnt s ILE 130 CO 0.01 0.42 -0.01 -0.69 -1.23 0.00 0.00 174.94 173.43 1xnt s VAL 131 N 0.64 0.73 0.32 2.92 1.01 -0.36 0.66 120.40 126.32 1xnt s VAL 131 Ca 0.06 -0.36 -0.15 0.00 0.00 0.00 0.00 61.98 61.52 1xnt s VAL 131 Cb -0.13 -0.98 -0.09 0.00 0.00 0.00 0.00 36.38 35.19 1xnt s VAL 131 CO 0.01 0.10 0.74 0.00 0.00 0.00 0.00 175.10 175.95 1xnt s SER 133 N -2.23 -0.03 0.00 0.00 0.01 0.20 -1.49 113.70 110.16 1xnt s SER 133 Ca 0.54 0.73 0.00 0.00 1.31 0.00 0.00 55.95 58.53 1xnt s SER 133 Cb -0.10 0.84 0.00 0.00 0.21 0.00 0.00 66.02 66.97 1xnt s SER 133 CO 0.17 -0.22 0.00 1.67 0.41 0.00 0.00 173.24 175.27 1xnt n GLN 134 N 5.04 0.00 -2.76 12.44 0.00 -0.11 -0.93 117.38 131.06 1xnt n GLN 134 Ca -0.12 0.00 -0.43 0.00 -0.00 0.00 0.00 57.00 56.45 1xnt n GLN 134 Cb 0.51 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.72 1xnt n GLN 134 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 1xnt s PRO 135 N -0.45 3.38 0.00 3.69 0.04 -1.23 -3.99 135.00 136.44 1xnt s PRO 135 Ca 0.00 -1.09 0.00 0.00 0.04 0.00 0.00 61.00 59.95 1xnt s PRO 135 Cb 0.00 -4.69 0.00 0.00 0.04 0.00 0.00 34.50 29.85 1xnt s PRO 135 CO 0.00 -1.94 0.00 2.48 0.04 0.00 0.00 177.00 177.58 1xnt n TYR 136 N 7.88 0.00 -3.87 0.56 0.18 -1.07 -4.89 117.16 115.94 1xnt n TYR 136 Ca 0.14 0.00 -0.23 0.00 1.88 0.00 0.00 57.90 59.69 1xnt n TYR 136 Cb 0.48 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.39 1xnt n TYR 136 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1xnt s SER 137 N -1.61 4.74 0.00 9.48 0.15 -1.26 -4.97 113.70 120.23 1xnt s SER 137 Ca 0.00 -0.90 0.00 0.00 0.70 0.00 0.00 55.95 55.75 1xnt s SER 137 Cb 0.00 -0.55 0.00 0.00 -1.71 0.00 0.00 66.02 63.76 1xnt s SER 137 CO 0.00 -0.57 0.68 1.17 1.20 0.00 0.00 173.24 175.72 1xnt n LYS 138 N -1.37 0.00 0.00 5.44 4.81 -1.26 -3.77 118.16 122.02 1xnt n LYS 138 Ca 0.01 -0.45 0.00 0.00 -0.87 0.00 0.00 58.31 57.00 1xnt n LYS 138 Cb 0.63 0.25 0.00 0.00 0.02 0.00 0.00 35.03 35.92 1xnt n LYS 138 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1xnt n ASP 139 N 0.00 0.00 -4.78 3.14 5.68 -1.26 -4.65 116.55 114.68 1xnt n ASP 139 Ca -0.12 0.00 -0.32 0.00 -0.50 0.00 0.00 54.79 53.84 1xnt n ASP 139 Cb 0.56 0.16 -0.07 0.00 -1.14 0.00 0.00 41.12 40.63 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 -1.63 5.65 0.67 -1.12 1.04 -1.26 -4.68 113.70 112.36 1xnt s SER 140 Ca 0.00 0.12 -0.05 0.00 0.48 0.00 0.00 55.95 56.49 1xnt s SER 140 Cb 0.00 -1.60 0.05 0.00 0.10 0.00 0.00 66.02 64.57 1xnt s SER 140 CO 0.00 0.25 0.97 -2.16 0.98 0.00 0.00 173.24 173.28 1xnt s PRO 141 N -1.87 2.34 0.00 4.02 0.04 -1.26 -4.16 135.00 134.11 1xnt s PRO 141 Ca 0.24 -0.29 0.00 0.00 0.04 0.00 0.00 61.00 60.99 1xnt s PRO 141 Cb -0.12 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.19 1xnt s PRO 141 CO 0.16 -1.10 0.00 1.19 0.04 0.00 0.00 177.00 177.29 1xnt n PHE 142 N -2.80 0.00 0.00 0.56 3.72 -1.26 -4.84 117.46 112.84 1xnt n PHE 142 Ca 0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 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 0.00 -1.06 3.54 1.37 0.00 -1.20 -1.23 105.19 106.61 1xnt n GLY 143 Ca 0.00 0.45 -0.27 0.00 0.00 0.00 0.00 46.02 46.20 1xnt n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xnt s LEU 144 N 0.00 2.85 0.06 0.99 1.02 -1.21 -1.37 118.68 121.02 1xnt s LEU 144 Ca 0.00 -0.66 0.13 0.00 0.02 0.00 0.00 54.13 53.63 1xnt s LEU 144 Cb 0.00 -1.53 -0.16 0.00 0.02 0.00 0.00 46.19 44.52 1xnt s LEU 144 CO 0.00 0.10 0.91 0.28 0.02 0.00 0.00 176.35 177.66 1xnt h SER 145 N 2.93 0.00 -5.51 2.29 0.02 -1.46 0.09 113.55 111.91 1xnt h SER 145 Ca -0.46 0.00 0.37 0.00 -0.84 0.00 0.00 61.79 60.86 1xnt h SER 145 Cb 1.21 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.60 1xnt h SER 145 CO 0.53 0.80 0.97 0.72 -1.14 0.00 0.00 176.83 178.71 1xnt s PHE 146 N -2.77 -0.01 -0.05 3.45 -0.12 -1.24 -4.54 117.98 112.69 1xnt s PHE 146 Ca -0.02 -0.00 -0.02 0.00 -0.05 0.00 0.00 56.93 56.83 1xnt s PHE 146 Cb 0.08 0.51 0.03 0.00 -0.63 0.00 0.00 43.02 43.01 1xnt s PHE 146 CO 0.81 -0.04 0.11 0.14 -0.05 0.00 0.00 175.22 176.18 1xnt s VAL 147 N -2.07 -0.05 -0.04 -2.49 -7.23 -1.26 -1.65 120.40 105.61 1xnt s VAL 147 Ca 0.14 0.17 -0.02 0.00 -1.81 0.00 0.00 61.98 60.46 1xnt s VAL 147 Cb 0.05 -0.18 0.03 0.00 0.56 0.00 0.00 36.38 36.84 1xnt s VAL 147 CO -0.06 0.07 0.04 -0.13 -0.31 0.00 0.00 175.10 174.72 1xnt s ARG 148 N 0.99 0.07 0.19 4.82 0.52 0.14 -4.95 118.95 120.74 1xnt s ARG 148 Ca -0.08 0.29 0.05 0.00 -0.52 0.00 0.00 55.73 55.48 1xnt s ARG 148 Cb -0.10 -0.56 -0.04 0.00 0.52 0.00 0.00 34.95 34.77 1xnt s ARG 148 CO -0.04 -0.30 0.19 -0.06 0.02 0.00 0.00 175.30 175.11 1xnt s PHE 149 N 1.95 3.22 -0.16 -0.53 0.08 -1.23 0.11 117.98 121.41 1xnt s PHE 149 Ca 0.03 -0.02 -0.09 0.00 0.12 0.00 0.00 56.93 56.96 1xnt s PHE 149 Cb -0.12 -1.51 0.05 0.00 -0.57 0.00 0.00 43.02 40.87 1xnt s PHE 149 CO -0.03 0.51 0.39 -1.01 -0.10 0.00 0.00 175.22 174.98 1xnt s HIS 150 N -1.87 -0.56 -2.28 0.36 3.76 -0.63 -1.53 115.29 112.55 1xnt s HIS 150 Ca 0.32 1.21 0.30 0.00 -0.15 0.00 0.00 55.06 56.74 1xnt s HIS 150 Cb -0.10 0.23 1.43 0.00 1.11 0.00 0.00 32.58 35.26 1xnt s HIS 150 CO 0.25 -0.32 1.96 0.45 -0.85 0.00 0.00 174.74 176.24