#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 2.09 -1.44 0.03 -0.04 -1.26 -4.87 135.00 129.51 1xnt n PRO 2 Ca 0.00 -1.76 -0.01 0.00 -0.04 0.00 0.00 63.50 61.68 1xnt n PRO 2 Cb 0.00 -1.91 0.00 0.00 -0.04 0.00 0.00 33.50 31.55 1xnt n PRO 2 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1xnt n GLU 3 N 1.07 0.18 -3.84 0.54 0.28 -1.26 -4.53 120.64 113.07 1xnt n GLU 3 Ca 0.40 -0.35 -0.17 0.00 -0.16 0.00 0.00 57.16 56.89 1xnt n GLU 3 Cb 0.62 0.43 -0.16 0.00 1.43 0.00 0.00 31.44 33.76 1xnt n GLU 3 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1xnt s ILE 4 N -2.85 0.07 0.40 3.84 1.01 -0.50 -4.22 121.20 118.95 1xnt s ILE 4 Ca 0.02 0.16 0.08 0.00 0.00 0.00 0.00 60.65 60.92 1xnt s ILE 4 Cb -0.01 -0.20 -0.03 0.00 0.01 0.00 0.00 42.46 42.23 1xnt s ILE 4 CO 0.02 0.13 0.27 -0.60 0.00 0.00 0.00 174.94 174.76 1xnt s ARG 5 N 1.17 2.42 0.18 2.79 6.06 -1.26 -3.71 118.95 126.61 1xnt s ARG 5 Ca -0.08 -1.62 0.05 0.00 -2.50 0.00 0.00 55.73 51.58 1xnt s ARG 5 Cb -0.13 -2.23 -0.04 0.00 0.06 0.00 0.00 34.95 32.62 1xnt s ARG 5 CO -0.02 -0.10 0.22 -0.51 -2.50 0.00 0.00 175.30 172.38 1xnt s LEU 6 N -4.00 4.03 -0.12 -0.88 1.02 -1.26 -2.84 118.68 114.62 1xnt s LEU 6 Ca 0.44 -0.03 -0.08 0.00 0.02 0.00 0.00 54.13 54.48 1xnt s LEU 6 Cb -0.01 -2.61 -0.06 0.00 0.02 0.00 0.00 46.19 43.53 1xnt s LEU 6 CO 0.25 0.03 -0.18 -1.14 0.02 0.00 0.00 176.35 175.33 1xnt n ARG 7 N -0.66 0.29 -3.78 1.70 3.00 -0.64 -4.64 116.66 111.93 1xnt n ARG 7 Ca -0.08 0.13 -0.07 0.00 -0.00 0.00 0.00 57.85 57.83 1xnt n ARG 7 Cb 0.55 -1.00 -0.02 0.00 0.00 0.00 0.00 32.46 31.99 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 -2.30 -0.23 -0.87 -0.14 -3.43 -1.26 -5.01 115.29 102.04 1xnt s HIS 8 Ca -0.19 -0.17 -0.23 0.00 -0.80 0.00 0.00 55.06 53.68 1xnt s HIS 8 Cb 0.07 0.68 0.07 0.00 -1.43 0.00 0.00 32.58 31.96 1xnt s HIS 8 CO 0.24 -1.12 1.24 0.54 -2.00 0.00 0.00 174.74 173.64 1xnt s VAL 9 N -3.81 4.17 0.10 -5.38 0.11 -1.26 0.21 120.40 114.53 1xnt s VAL 9 Ca 0.10 -0.67 -0.36 0.00 -2.93 0.00 0.00 61.98 58.12 1xnt s VAL 9 Cb -0.05 -4.89 -0.16 0.00 -1.53 0.00 0.00 36.38 29.75 1xnt s VAL 9 CO 0.03 -1.72 1.56 1.62 -3.33 0.00 0.00 175.10 173.26 1xnt h VAL 10 N 6.24 0.00 -3.40 2.04 3.04 -1.70 -3.43 116.25 119.04 1xnt h VAL 10 Ca 0.01 0.00 -0.66 0.00 -1.01 0.00 0.00 66.70 65.03 1xnt h VAL 10 Cb 1.03 0.00 -0.20 0.00 -2.01 0.00 0.00 31.29 30.12 1xnt h VAL 10 CO 1.27 0.00 -0.84 -0.44 -1.01 0.00 0.00 177.57 176.55 1xnt s SER 11 N -4.52 3.38 -0.02 3.17 0.01 -0.13 -5.01 113.70 110.58 1xnt s SER 11 Ca -0.17 -0.83 0.00 0.00 1.31 0.00 0.00 55.95 56.26 1xnt s SER 11 Cb 0.05 -0.24 0.02 0.00 0.21 0.00 0.00 66.02 66.06 1xnt s SER 11 CO 0.61 0.13 0.00 0.00 0.41 0.00 0.00 173.24 174.39 1xnt n SER 13 N 3.73 2.55 0.00 0.00 7.64 0.29 -4.90 113.62 122.94 1xnt n SER 13 Ca -0.22 -2.67 0.00 0.00 1.01 0.00 0.00 58.87 56.99 1xnt n SER 13 Cb 0.54 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 1xnt n SER 13 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1xnt n SER 14 N -0.52 0.00 -4.00 6.43 7.64 -1.07 -2.01 113.62 120.10 1xnt n SER 14 Ca 0.18 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.84 1xnt n SER 14 Cb 0.83 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.87 1xnt n SER 14 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xnt s GLN 15 N 0.00 1.22 0.51 1.43 1.03 -1.26 -3.93 119.66 118.66 1xnt s GLN 15 Ca 0.00 -0.32 -0.18 0.00 0.04 0.00 0.00 55.36 54.90 1xnt s GLN 15 Cb 0.00 -1.09 -0.08 0.00 0.03 0.00 0.00 33.01 31.88 1xnt s GLN 15 CO 0.00 0.06 1.01 0.34 -2.54 0.00 0.00 175.29 174.16 1xnt s ASP 16 N 0.45 6.43 0.03 12.60 -1.08 0.29 -3.64 116.67 131.75 1xnt s ASP 16 Ca -0.08 1.74 -0.26 0.00 -0.52 0.00 0.00 52.55 53.42 1xnt s ASP 16 Cb -0.12 -2.53 -0.14 0.00 -1.46 0.00 0.00 42.92 38.66 1xnt s ASP 16 CO 0.02 -0.72 1.27 -1.28 0.52 0.00 0.00 175.17 174.97 1xnt h SER 17 N 1.17 -0.80 0.78 -0.34 0.87 -1.88 -2.08 113.55 111.26 1xnt h SER 17 Ca -0.48 0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.07 1xnt h SER 17 Cb 1.20 0.21 0.01 0.00 -0.44 0.00 0.00 62.40 63.37 1xnt h SER 17 CO 0.60 -0.52 -0.37 0.71 -0.53 0.00 0.00 176.83 176.71 1xnt h THR 18 N -1.04 0.00 -2.77 2.23 1.35 -1.97 -3.31 112.91 107.40 1xnt h THR 18 Ca -0.10 -0.08 -0.74 0.00 -0.55 0.00 0.00 66.41 64.94 1xnt h THR 18 Cb 0.72 0.00 -0.21 0.00 -1.73 0.00 0.00 68.15 66.93 1xnt h THR 18 CO 0.16 0.00 0.82 -1.00 -0.25 0.00 0.00 175.52 175.24 1xnt s HIS 19 N -5.13 3.56 0.40 4.73 3.76 -1.25 -5.00 115.29 116.36 1xnt s HIS 19 Ca -0.15 -1.97 0.06 0.00 -0.15 0.00 0.00 55.06 52.85 1xnt s HIS 19 Cb 0.02 -4.14 0.00 0.00 1.11 0.00 0.00 32.58 29.57 1xnt s HIS 19 CO 0.46 -1.28 0.57 0.00 -0.85 0.00 0.00 174.74 173.63 1xnt h ALA 21 N 0.65 1.32 0.00 0.00 0.00 -1.83 -1.22 119.26 118.18 1xnt h ALA 21 Ca -0.44 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1xnt h ALA 21 Cb 1.27 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1xnt h ALA 21 CO 0.51 0.03 0.00 1.49 0.00 0.00 0.00 179.25 181.28 1xnt h GLU 22 N 0.00 0.00 0.00 0.00 4.81 -1.93 0.56 114.58 118.02 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 0.10 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.48 1xnt h GLU 22 CO 0.00 0.00 0.00 -0.91 -0.73 0.00 0.00 179.01 177.37 1xnt h ASN 23 N 0.00 0.00 0.37 1.04 2.35 -1.48 -1.09 115.58 116.77 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 0.02 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.38 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 -2.44 1.61 3.38 -1.08 -0.94 115.31 115.83 1xnt h LEU 24 Ca 0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1xnt h LEU 24 Cb 0.24 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1xnt h LEU 24 CO 0.00 0.14 0.14 -0.07 0.09 0.00 0.00 178.44 178.73 1xnt h LEU 25 N 0.00 0.00 -5.94 1.67 -0.00 -1.37 -2.59 115.31 107.07 1xnt h LEU 25 Ca -0.00 0.00 -0.64 0.00 -0.00 0.00 0.00 57.88 57.24 1xnt h LEU 25 Cb 0.36 0.00 -0.39 0.00 -0.00 0.00 0.00 40.66 40.63 1xnt h LEU 25 CO 0.02 0.00 -0.29 0.29 -0.00 0.00 0.00 178.44 178.45 1xnt n LYS 26 N -3.46 3.31 0.11 1.13 4.01 -0.36 -4.87 118.16 118.04 1xnt n LYS 26 Ca -0.01 -4.74 0.20 0.00 -0.51 0.00 0.00 58.31 53.25 1xnt n LYS 26 Cb 0.22 -2.30 0.74 0.00 -0.51 0.00 0.00 35.03 33.18 1xnt n LYS 26 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1xnt h ALA 27 N 3.87 2.05 -3.15 7.82 0.00 -1.62 -3.15 119.26 125.09 1xnt h ALA 27 Ca 0.21 -0.01 -0.62 0.00 0.00 0.00 0.00 54.91 54.48 1xnt h ALA 27 Cb 0.56 0.03 -0.42 0.00 0.00 0.00 0.00 17.79 17.96 1xnt h ALA 27 CO 0.92 -0.66 -0.60 -0.51 0.00 0.00 0.00 179.25 178.40 1xnt s ASP 28 N -5.07 4.63 0.00 0.00 1.01 -1.26 -4.89 116.67 111.09 1xnt s ASP 28 Ca -0.04 -3.62 0.00 0.00 0.71 0.00 0.00 52.55 49.60 1xnt s ASP 28 Cb 0.14 -1.61 0.00 0.00 1.01 0.00 0.00 42.92 42.46 1xnt s ASP 28 CO 0.50 -0.12 0.00 0.35 0.21 0.00 0.00 175.17 176.11 1xnt n THR 29 N 2.29 0.00 -1.96 -1.27 -2.24 -1.19 -5.07 114.28 104.84 1xnt n THR 29 Ca 0.16 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.93 1xnt n THR 29 Cb 0.34 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 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 -0.47 -0.11 -3.61 4.78 4.11 -1.26 -5.15 117.16 115.45 1xnt n TYR 30 Ca 0.00 -0.13 -0.14 0.00 -0.00 0.00 0.00 57.90 57.63 1xnt n TYR 30 Cb 0.00 0.44 -0.07 0.00 -0.00 0.00 0.00 39.34 39.72 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 0.85 0.00 -3.48 0.52 -1.26 -5.18 118.95 110.41 1xnt s ARG 31 Ca 0.00 0.81 0.00 0.00 -0.52 0.00 0.00 55.73 56.02 1xnt s ARG 31 Cb 0.02 0.41 0.00 0.00 0.52 0.00 0.00 34.95 35.90 1xnt s ARG 31 CO -0.01 -0.14 0.00 1.63 0.02 0.00 0.00 175.30 176.80 1xnt n LYS 32 N 2.27 1.39 -2.77 3.54 4.01 -1.26 -4.60 118.16 120.74 1xnt n LYS 32 Ca -0.15 0.00 -0.41 0.00 -0.51 0.00 0.00 58.31 57.25 1xnt n LYS 32 Cb 0.56 0.00 -0.05 0.00 -0.51 0.00 0.00 35.03 35.02 1xnt n LYS 32 CO 0.00 0.00 0.00 -0.46 -1.11 0.00 0.00 177.40 175.83 1xnt s TRP 33 N -1.21 3.87 -0.06 2.13 -0.00 0.05 -4.56 118.94 119.17 1xnt s TRP 33 Ca 0.00 1.81 -0.02 0.00 -0.00 0.00 0.00 56.10 57.89 1xnt s TRP 33 Cb 0.00 -3.00 0.04 0.00 -0.00 0.00 0.00 33.47 30.51 1xnt s TRP 33 CO 0.00 0.31 0.11 1.03 -0.00 0.00 0.00 176.95 178.40 1xnt s ARG 34 N -0.47 0.02 1.15 5.86 0.52 -1.21 -2.53 118.95 122.29 1xnt s ARG 34 Ca 0.44 0.38 -0.16 0.00 -0.52 0.00 0.00 55.73 55.87 1xnt s ARG 34 Cb -0.24 -0.28 0.19 0.00 0.52 0.00 0.00 34.95 35.14 1xnt s ARG 34 CO 0.30 -0.23 0.45 0.00 0.02 0.00 0.00 175.30 175.83 1xnt n ALA 35 N 4.68 -3.64 -0.03 2.13 0.00 0.16 0.10 120.51 123.91 1xnt n ALA 35 Ca -0.17 -1.25 0.05 0.00 0.00 0.00 0.00 53.44 52.07 1xnt n ALA 35 Cb 0.50 -1.73 -0.15 0.00 0.00 0.00 0.00 19.45 18.07 1xnt n ALA 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xnt n ALA 36 N -4.68 2.42 -1.80 0.00 0.00 -1.24 -2.61 120.51 112.61 1xnt n ALA 36 Ca 0.02 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.77 1xnt n ALA 36 Cb 0.59 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 19.49 1xnt n ALA 36 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1xnt n LYS 37 N -2.33 3.37 -2.72 0.00 2.85 -1.26 -4.86 118.16 113.21 1xnt n LYS 37 Ca -0.11 0.00 -0.07 0.00 -1.05 0.00 0.00 58.31 57.08 1xnt n LYS 37 Cb 0.68 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 35.05 1xnt n LYS 37 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1xnt n ALA 38 N -3.00 -0.07 0.00 0.58 0.00 -1.26 -4.27 120.51 112.48 1xnt n ALA 38 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.68 1xnt n ALA 38 Cb 0.00 0.61 0.00 0.00 0.00 0.00 0.00 19.45 20.06 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 -0.27 2.13 3.01 0.00 0.00 -0.61 -4.72 105.19 104.73 1xnt n GLY 39 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.00 -1.58 0.00 1.61 1.02 -1.09 -2.60 120.64 116.01 1xnt n GLU 40 Ca 0.00 1.55 0.00 0.00 -0.02 0.00 0.00 57.16 58.69 1xnt n GLU 40 Cb 0.00 -2.26 0.00 0.00 -0.02 0.00 0.00 31.44 29.16 1xnt n GLU 40 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1xnt n LYS 41 N 1.47 0.00 -3.70 3.49 3.00 -1.26 -1.92 118.16 119.24 1xnt n LYS 41 Ca -0.04 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.14 1xnt n LYS 41 Cb 0.31 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 35.24 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 -0.79 -0.00 0.05 3.15 -4.23 -1.26 -1.27 115.64 111.28 1xnt s THR 42 Ca 0.00 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 60.55 1xnt s THR 42 Cb 0.00 -0.70 -0.03 0.00 1.34 0.00 0.00 72.50 73.12 1xnt s THR 42 CO 0.00 0.00 -0.10 0.27 -0.54 0.00 0.00 174.62 174.25 1xnt s ILE 43 N 0.32 0.74 -0.01 2.99 -4.36 -0.33 -4.97 121.20 115.58 1xnt s ILE 43 Ca -0.00 -1.12 0.05 0.00 -0.26 0.00 0.00 60.65 59.32 1xnt s ILE 43 Cb -0.04 -0.76 -0.01 0.00 1.25 0.00 0.00 42.46 42.90 1xnt s ILE 43 CO -0.00 -0.30 -0.18 -0.44 0.24 0.00 0.00 174.94 174.26 1xnt s SER 44 N -1.57 2.06 -0.15 4.36 0.01 -0.85 0.16 113.70 117.73 1xnt s SER 44 Ca -0.07 -0.33 -0.06 0.00 1.31 0.00 0.00 55.95 56.81 1xnt s SER 44 Cb -0.10 -0.22 0.07 0.00 0.21 0.00 0.00 66.02 65.98 1xnt s SER 44 CO 0.01 0.21 0.31 0.54 0.41 0.00 0.00 173.24 174.72 1xnt s VAL 45 N -0.44 -0.43 -0.27 3.43 0.11 0.16 0.11 120.40 123.06 1xnt s VAL 45 Ca 0.07 0.23 -0.10 0.00 -2.93 0.00 0.00 61.98 59.25 1xnt s VAL 45 Cb -0.07 -0.50 -0.05 0.00 -1.53 0.00 0.00 36.38 34.23 1xnt s VAL 45 CO -0.00 0.10 0.16 -0.69 -3.33 0.00 0.00 175.10 171.33 1xnt s VAL 46 N 2.33 5.10 0.43 2.04 1.01 0.63 0.01 120.40 131.95 1xnt s VAL 46 Ca -0.01 0.10 0.06 0.00 0.00 0.00 0.00 61.98 62.13 1xnt s VAL 46 Cb -0.12 -3.42 0.01 0.00 0.00 0.00 0.00 36.38 32.86 1xnt s VAL 46 CO -0.10 0.28 0.60 -0.76 0.00 0.00 0.00 175.10 175.12 1xnt s LEU 47 N 1.66 3.64 -0.02 3.92 1.02 0.11 -0.96 118.68 128.06 1xnt s LEU 47 Ca 0.07 -0.24 0.03 0.00 0.02 0.00 0.00 54.13 54.01 1xnt s LEU 47 Cb -0.16 -2.76 -0.03 0.00 0.02 0.00 0.00 46.19 43.26 1xnt s LEU 47 CO 0.09 -0.77 -0.08 -1.58 0.02 0.00 0.00 176.35 174.03 1xnt s GLN 48 N -4.42 2.57 -0.12 1.70 2.00 0.13 -1.48 119.66 120.05 1xnt s GLN 48 Ca 0.53 -0.69 -0.12 0.00 -2.00 0.00 0.00 55.36 53.09 1xnt s GLN 48 Cb -0.10 -2.50 -0.05 0.00 0.80 0.00 0.00 33.01 31.17 1xnt s GLN 48 CO 0.34 0.62 0.26 -0.51 -0.50 0.00 0.00 175.29 175.49 1xnt s LEU 49 N -1.19 4.34 0.00 3.68 1.43 -0.50 -1.62 118.68 124.81 1xnt s LEU 49 Ca 0.15 0.57 0.00 0.00 -1.03 0.00 0.00 54.13 53.82 1xnt s LEU 49 Cb -0.11 -2.30 0.00 0.00 0.03 0.00 0.00 46.19 43.81 1xnt s LEU 49 CO 0.05 0.25 1.76 -1.84 0.23 0.00 0.00 176.35 176.80 1xnt n GLU 50 N 2.70 0.98 0.00 1.70 0.28 -1.13 -4.67 120.64 120.50 1xnt n GLU 50 Ca -0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.85 1xnt n GLU 50 Cb 0.53 -1.01 0.00 0.00 1.43 0.00 0.00 31.44 32.39 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 1.30 0.00 -2.41 3.44 2.85 -1.26 -5.01 118.16 117.07 1xnt n LYS 51 Ca 0.00 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.84 1xnt n LYS 51 Cb 0.49 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.85 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 0.00 3.49 0.30 -1.58 2.12 -1.26 -4.68 118.70 117.09 1xnt s GLU 52 Ca 0.00 0.68 0.03 0.00 0.36 0.00 0.00 54.97 56.05 1xnt s GLU 52 Cb 0.00 -4.04 -0.01 0.00 0.26 0.00 0.00 34.13 30.33 1xnt s GLU 52 CO 0.00 -1.68 0.33 0.39 -0.54 0.00 0.00 175.26 173.76 1xnt n GLU 53 N 8.27 0.47 -0.89 4.30 -0.58 0.16 -4.71 120.64 127.66 1xnt n GLU 53 Ca 0.14 -2.77 -0.07 0.00 -0.42 0.00 0.00 57.16 54.04 1xnt n GLU 53 Cb 0.49 2.42 0.04 0.00 -0.57 0.00 0.00 31.44 33.82 1xnt n GLU 53 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1xnt n GLN 54 N -0.54 0.11 -3.79 3.49 6.02 -1.26 0.36 117.38 121.76 1xnt n GLN 54 Ca 0.04 -0.66 -0.20 0.00 -0.01 0.00 0.00 57.00 56.17 1xnt n GLN 54 Cb 0.53 -0.26 -0.17 0.00 1.02 0.00 0.00 30.24 31.36 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 -1.12 0.18 -0.11 5.09 1.09 -0.16 -4.52 121.20 121.66 1xnt s ILE 55 Ca 0.19 0.20 0.08 0.00 -1.10 0.00 0.00 60.65 60.01 1xnt s ILE 55 Cb -0.01 -0.35 -0.12 0.00 -1.06 0.00 0.00 42.46 40.92 1xnt s ILE 55 CO 0.13 0.20 0.00 1.57 -0.10 0.00 0.00 174.94 176.75 1xnt n HIS 56 N 4.89 0.00 -3.84 3.97 -0.00 -0.83 -4.55 115.22 114.86 1xnt n HIS 56 Ca -0.12 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 57.96 1xnt n HIS 56 Cb 0.50 -0.53 -0.09 0.00 -0.12 0.00 0.00 29.99 29.76 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 -4.53 -0.00 0.07 0.26 0.01 -0.51 -1.51 113.70 107.49 1xnt s SER 57 Ca -0.08 -0.28 0.01 0.00 1.31 0.00 0.00 55.95 56.90 1xnt s SER 57 Cb 0.04 0.28 -0.04 0.00 0.21 0.00 0.00 66.02 66.51 1xnt s SER 57 CO 0.41 -0.52 -0.05 -0.69 0.41 0.00 0.00 173.24 172.80 1xnt s VAL 58 N -2.25 0.48 -0.01 3.43 1.01 -0.40 -0.87 120.40 121.80 1xnt s VAL 58 Ca -0.08 -1.77 0.01 0.00 0.00 0.00 0.00 61.98 60.14 1xnt s VAL 58 Cb -0.03 -1.47 0.00 0.00 0.00 0.00 0.00 36.38 34.89 1xnt s VAL 58 CO -0.02 -0.86 -0.03 -1.81 0.00 0.00 0.00 175.10 172.38 1xnt s ASP 59 N -2.80 0.44 -0.27 3.32 1.11 -0.47 0.06 116.67 118.06 1xnt s ASP 59 Ca 0.07 -0.06 -0.24 0.00 0.18 0.00 0.00 52.55 52.50 1xnt s ASP 59 Cb 0.04 -0.08 0.07 0.00 1.07 0.00 0.00 42.92 44.02 1xnt s ASP 59 CO -0.06 0.03 0.71 -0.63 1.18 0.00 0.00 175.17 176.39 1xnt s ILE 60 N 0.07 -0.00 -0.05 0.77 1.09 -0.49 0.12 121.20 122.71 1xnt s ILE 60 Ca -0.00 0.00 0.05 0.00 -1.10 0.00 0.00 60.65 59.60 1xnt s ILE 60 Cb -0.03 -0.99 -0.01 0.00 -1.06 0.00 0.00 42.46 40.37 1xnt s ILE 60 CO -0.00 0.00 -0.21 -0.83 -0.10 0.00 0.00 174.94 173.80 1xnt s GLY 61 N 0.47 1.11 0.24 6.18 0.00 -0.66 -0.52 107.32 114.13 1xnt s GLY 61 Ca -0.01 -0.88 -0.08 0.00 0.00 0.00 0.00 44.72 43.76 1xnt s GLY 61 CO -0.01 -0.53 0.53 0.54 0.00 0.00 0.00 173.10 173.64 1xnt s ASN 62 N -0.11 6.55 -0.47 1.64 4.22 -1.01 -0.69 114.94 125.06 1xnt s ASN 62 Ca -0.03 0.82 0.01 0.00 -2.14 0.00 0.00 52.86 51.52 1xnt s ASN 62 Cb -0.12 -2.18 0.49 0.00 1.28 0.00 0.00 41.25 40.72 1xnt s ASN 62 CO 0.03 -0.10 1.90 -0.67 -2.04 0.00 0.00 177.10 176.22 1xnt n ASP 63 N -0.38 5.33 0.00 3.54 2.03 -0.19 -3.95 116.55 122.92 1xnt n ASP 63 Ca -0.00 -3.49 0.00 0.00 0.52 0.00 0.00 54.79 51.82 1xnt n ASP 63 Cb 0.53 -0.89 0.00 0.00 -0.72 0.00 0.00 41.12 40.04 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 -0.78 1.85 0.37 0.27 0.00 -1.24 -4.75 105.19 100.90 1xnt n GLY 64 Ca 0.53 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.52 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 -2.17 0.00 1.61 7.64 -1.26 -4.58 113.62 114.86 1xnt n SER 65 Ca 0.00 -0.14 0.00 0.00 1.01 0.00 0.00 58.87 59.74 1xnt n SER 65 Cb 0.00 -0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 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 -3.32 2.09 -2.68 -0.43 0.00 -1.24 -4.37 120.51 110.56 1xnt n ALA 66 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.07 1xnt n ALA 66 Cb 0.07 0.15 -0.09 0.00 0.00 0.00 0.00 19.45 19.58 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 -1.36 3.15 -0.16 0.00 0.08 0.25 0.14 117.98 120.07 1xnt s PHE 67 Ca 0.00 0.18 -0.04 0.00 0.12 0.00 0.00 56.93 57.19 1xnt s PHE 67 Cb 0.00 -1.78 0.07 0.00 -0.57 0.00 0.00 43.02 40.75 1xnt s PHE 67 CO 0.00 0.47 0.17 0.08 -0.10 0.00 0.00 175.22 175.84 1xnt s VAL 68 N -0.90 -0.24 0.02 -0.44 1.01 -0.14 0.34 120.40 120.05 1xnt s VAL 68 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.11 1xnt s VAL 68 Cb -0.11 -0.56 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 1xnt s VAL 68 CO 0.03 -0.14 0.12 -0.70 0.00 0.00 0.00 175.10 174.41 1xnt s GLU 69 N 2.27 3.14 -0.03 2.72 2.12 0.67 0.29 118.70 129.87 1xnt s GLU 69 Ca 0.05 -0.50 0.01 0.00 0.36 0.00 0.00 54.97 54.89 1xnt s GLU 69 Cb -0.15 -2.89 0.02 0.00 0.26 0.00 0.00 34.13 31.36 1xnt s GLU 69 CO -0.10 0.63 -0.04 0.08 -0.54 0.00 0.00 175.26 175.29 1xnt s VAL 70 N -1.31 0.45 0.37 3.70 1.01 -0.62 -1.16 120.40 122.84 1xnt s VAL 70 Ca 0.27 -0.10 0.08 0.00 0.00 0.00 0.00 61.98 62.23 1xnt s VAL 70 Cb -0.12 -0.47 -0.06 0.00 0.00 0.00 0.00 36.38 35.72 1xnt s VAL 70 CO 0.19 0.19 0.03 -0.76 0.00 0.00 0.00 175.10 174.75 1xnt s LEU 71 N 0.74 2.94 0.15 3.92 1.02 -0.36 -1.71 118.68 125.39 1xnt s LEU 71 Ca -0.09 -1.15 0.05 0.00 0.02 0.00 0.00 54.13 52.96 1xnt s LEU 71 Cb -0.12 -1.19 -0.04 0.00 0.02 0.00 0.00 46.19 44.85 1xnt s LEU 71 CO -0.00 -0.35 -0.11 0.68 0.02 0.00 0.00 176.35 176.58 1xnt s VAL 72 N -2.60 1.26 0.00 -1.59 -7.23 -0.09 -1.31 120.40 108.84 1xnt s VAL 72 Ca 0.36 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.51 1xnt s VAL 72 Cb 0.04 -1.81 0.00 0.00 0.56 0.00 0.00 36.38 35.17 1xnt s VAL 72 CO 0.19 -0.67 0.00 0.61 -0.31 0.00 0.00 175.10 174.92 1xnt n GLY 73 N -0.08 -0.02 3.59 2.32 0.00 -0.87 0.20 105.19 110.33 1xnt n GLY 73 Ca -0.11 -0.95 -0.24 0.00 0.00 0.00 0.00 46.02 44.72 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 4.20 0.00 1.61 0.15 -1.26 -0.70 113.70 117.69 1xnt s SER 74 Ca 0.00 -0.83 0.20 0.00 0.70 0.00 0.00 55.95 56.02 1xnt s SER 74 Cb 0.00 -0.62 1.18 0.00 -1.71 0.00 0.00 66.02 64.87 1xnt s SER 74 CO 0.00 -0.04 1.76 -1.20 1.20 0.00 0.00 173.24 174.96 1xnt n SER 75 N -0.83 0.06 -3.14 5.45 7.64 -1.26 -4.85 113.62 116.68 1xnt n SER 75 Ca -0.05 -1.39 -0.11 0.00 1.01 0.00 0.00 58.87 58.33 1xnt n SER 75 Cb 0.60 -0.00 0.11 0.00 -1.01 0.00 0.00 64.21 63.91 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 -0.77 -1.97 -1.58 -0.43 0.00 -1.26 -4.69 120.51 109.81 1xnt n ALA 76 Ca 0.15 -0.57 -0.41 0.00 0.00 0.00 0.00 53.44 52.61 1xnt n ALA 76 Cb 0.08 -0.05 -0.03 0.00 0.00 0.00 0.00 19.45 19.44 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 -1.92 0.69 1.54 0.00 0.00 -1.26 -4.62 105.19 99.62 1xnt n GLY 77 Ca 0.05 0.74 0.00 0.00 0.00 0.00 0.00 46.02 46.81 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 5.89 -0.23 3.54 -0.02 0.00 -1.26 -5.04 105.19 108.06 1xnt n GLY 78 Ca 0.33 0.01 -0.21 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.15 -1.56 -3.67 4.61 0.00 -1.26 -4.99 120.51 111.49 1xnt n ALA 79 Ca 0.00 0.24 -0.09 0.00 0.00 0.00 0.00 53.44 53.59 1xnt n ALA 79 Cb 0.00 -4.43 -0.10 0.00 0.00 0.00 0.00 19.45 14.92 1xnt n ALA 79 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1xnt s GLY 80 N -3.69 -0.36 0.51 0.00 0.00 -1.26 -5.02 107.32 97.50 1xnt s GLY 80 Ca 0.38 1.53 0.22 0.00 0.00 0.00 0.00 44.72 46.84 1xnt s GLY 80 CO 0.73 2.24 2.09 0.83 0.00 0.00 0.00 173.10 178.99 1xnt h GLU 81 N 7.90 0.00 -0.94 2.90 3.07 -2.03 -1.37 114.58 124.11 1xnt h GLU 81 Ca -0.21 0.00 -0.38 0.00 -0.50 0.00 0.00 59.36 58.27 1xnt h GLU 81 Cb 1.13 0.00 -0.23 0.00 -0.84 0.00 0.00 28.75 28.81 1xnt h GLU 81 CO 0.16 0.10 0.48 1.04 -1.40 0.00 0.00 179.01 179.40 1xnt n GLN 82 N -4.05 2.44 -0.87 2.33 6.02 -1.26 -4.30 117.38 117.69 1xnt n GLN 82 Ca -0.02 -2.63 -0.05 0.00 -0.01 0.00 0.00 57.00 54.29 1xnt n GLN 82 Cb 0.19 -2.05 0.25 0.00 1.02 0.00 0.00 30.24 29.66 1xnt n GLN 82 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1xnt n ASP 83 N -0.70 3.88 -3.62 1.08 2.03 -0.52 -4.97 116.55 113.74 1xnt n ASP 83 Ca 0.48 -3.37 -0.15 0.00 0.52 0.00 0.00 54.79 52.27 1xnt n ASP 83 Cb 1.45 -0.69 0.00 0.00 -0.72 0.00 0.00 41.12 41.17 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 -0.62 -1.08 -4.87 -0.67 4.02 -1.26 -4.84 117.16 107.85 1xnt n TYR 84 Ca 0.37 -1.32 -0.31 0.00 -0.01 0.00 0.00 57.90 56.63 1xnt n TYR 84 Cb 1.23 -0.26 -0.17 0.00 -0.02 0.00 0.00 39.34 40.12 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 -3.30 2.86 -0.93 -0.72 0.41 0.13 -4.89 118.70 112.26 1xnt s GLU 85 Ca 0.19 -0.81 -0.26 0.00 -0.41 0.00 0.00 54.97 53.68 1xnt s GLU 85 Cb -0.01 -2.26 -0.15 0.00 -1.78 0.00 0.00 34.13 29.93 1xnt s GLU 85 CO 0.12 0.06 2.21 0.08 -0.49 0.00 0.00 175.26 177.25 1xnt s VAL 86 N 0.63 3.12 0.11 2.63 1.01 -1.26 -0.91 120.40 125.72 1xnt s VAL 86 Ca -0.12 -0.15 -0.23 0.00 0.00 0.00 0.00 61.98 61.49 1xnt s VAL 86 Cb -0.16 -3.60 -0.09 0.00 0.00 0.00 0.00 36.38 32.52 1xnt s VAL 86 CO 0.03 -0.24 1.71 0.25 0.00 0.00 0.00 175.10 176.86 1xnt h LEU 87 N 21.51 -0.17 -7.26 3.92 5.85 -1.81 -3.41 115.31 133.93 1xnt h LEU 87 Ca 0.04 0.03 -0.21 0.00 0.84 0.00 0.00 57.88 58.58 1xnt h LEU 87 Cb 0.99 0.08 -0.31 0.00 0.37 0.00 0.00 40.66 41.79 1xnt h LEU 87 CO 1.05 -0.08 -0.52 -1.48 -0.34 0.00 0.00 178.44 177.08 1xnt s LEU 88 N -10.28 -0.01 1.28 2.25 2.34 -0.69 -1.44 118.68 112.13 1xnt s LEU 88 Ca -0.14 0.56 -0.17 0.00 0.06 0.00 0.00 54.13 54.44 1xnt s LEU 88 Cb 0.08 0.70 0.31 0.00 -0.56 0.00 0.00 46.19 46.72 1xnt s LEU 88 CO 0.67 -0.21 0.87 0.52 -1.06 0.00 0.00 176.35 177.13 1xnt n VAL 89 N 4.90 0.00 -1.68 1.48 0.31 -1.26 -1.59 118.33 120.49 1xnt n VAL 89 Ca -0.14 -0.32 -0.45 0.00 -0.01 0.00 0.00 64.34 63.42 1xnt n VAL 89 Cb 0.51 -0.95 -0.04 0.00 -0.91 0.00 0.00 33.84 32.45 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 -5.26 0.26 -4.03 2.52 5.66 -1.26 -4.41 114.28 107.77 1xnt n THR 90 Ca 0.06 -0.07 -0.35 0.00 -3.05 0.00 0.00 64.05 60.64 1xnt n THR 90 Cb 0.56 -1.61 -0.09 0.00 -1.55 0.00 0.00 70.33 67.64 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 0.79 5.71 -0.49 1.09 1.04 0.15 -4.69 113.70 117.28 1xnt s SER 91 Ca 0.75 0.16 -0.22 0.00 0.48 0.00 0.00 55.95 57.12 1xnt s SER 91 Cb -0.64 -1.91 0.04 0.00 0.10 0.00 0.00 66.02 63.61 1xnt s SER 91 CO 0.40 0.24 0.76 -0.94 0.98 0.00 0.00 173.24 174.68 1xnt s SER 92 N -0.02 6.32 -0.20 7.02 1.04 -1.25 -0.96 113.70 125.64 1xnt s SER 92 Ca 0.06 -0.47 -0.20 0.00 0.48 0.00 0.00 55.95 55.83 1xnt s SER 92 Cb -0.12 -2.36 -0.17 0.00 0.10 0.00 0.00 66.02 63.47 1xnt s SER 92 CO 0.01 -0.98 0.19 -0.26 0.98 0.00 0.00 173.24 173.18 1xnt h PHE 93 N 9.06 0.00 -4.97 5.02 0.04 -0.64 -3.49 116.94 121.96 1xnt h PHE 93 Ca -0.26 0.00 -0.61 0.00 2.80 0.00 0.00 57.97 59.90 1xnt h PHE 93 Cb 1.09 0.00 -0.12 0.00 2.20 0.00 0.00 35.95 39.12 1xnt h PHE 93 CO 0.80 1.26 -0.45 -1.33 -0.60 0.00 0.00 178.31 178.00 1xnt n MET 94 N -4.47 0.84 -3.04 1.51 2.81 -1.25 -5.08 117.12 108.44 1xnt n MET 94 Ca -0.28 -3.43 -0.20 0.00 -1.81 0.00 0.00 57.70 51.99 1xnt n MET 94 Cb 0.61 0.99 0.07 0.00 -0.71 0.00 0.00 33.22 34.18 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 -3.58 5.03 -0.07 7.83 1.04 -1.26 -4.70 113.70 118.00 1xnt s SER 95 Ca 0.02 -0.90 0.05 0.00 0.48 0.00 0.00 55.95 55.60 1xnt s SER 95 Cb 0.00 0.42 0.28 0.00 0.10 0.00 0.00 66.02 66.82 1xnt s SER 95 CO 0.01 -1.42 0.98 -0.81 0.98 0.00 0.00 173.24 172.98 1xnt n PRO 96 N -2.29 2.26 0.02 4.02 -0.04 -1.26 -4.06 135.00 133.65 1xnt n PRO 96 Ca 0.17 -1.08 0.00 0.00 -0.04 0.00 0.00 63.50 62.54 1xnt n PRO 96 Cb 0.62 -1.68 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 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 0.23 0.39 0.30 3.54 7.64 -1.26 -4.67 113.62 119.79 1xnt n SER 97 Ca 0.10 0.05 0.19 0.00 1.01 0.00 0.00 58.87 60.21 1xnt n SER 97 Cb 0.53 -0.12 1.00 0.00 -1.01 0.00 0.00 64.21 64.61 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 -0.72 1.43 3.07 -1.91 -2.43 114.58 114.03 1xnt h GLU 98 Ca 0.00 0.00 0.21 0.00 -0.50 0.00 0.00 59.36 59.07 1xnt h GLU 98 Cb 0.64 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.52 1xnt h GLU 98 CO 0.00 0.00 0.71 1.03 -1.40 0.00 0.00 179.01 179.35 1xnt h SER 99 N 0.00 0.00 0.00 1.42 0.87 -1.81 -3.21 113.55 110.82 1xnt h SER 99 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1xnt h SER 99 Cb 0.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 1xnt h SER 99 CO 0.00 0.00 0.00 0.54 -0.53 0.00 0.00 176.83 176.84 1xnt n ARG 100 N -3.71 0.00 -2.04 2.24 1.74 -0.91 -4.84 116.66 109.14 1xnt n ARG 100 Ca 0.15 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.20 1xnt n ARG 100 Cb 0.96 -0.17 0.06 0.00 -1.02 0.00 0.00 32.46 32.29 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 -0.37 -1.08 0.21 0.55 2.88 -1.21 -4.71 113.62 109.89 1xnt n SER 101 Ca 0.00 -1.88 0.12 0.00 -1.33 0.00 0.00 58.87 55.78 1xnt n SER 101 Cb 0.00 0.47 0.17 0.00 -0.75 0.00 0.00 64.21 64.10 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 -1.77 -3.48 103.07 98.88 1xnt h GLY 102 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.95 1xnt h GLY 102 CO -0.17 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.81 1xnt n SER 103 N -3.06 0.00 -4.08 0.19 7.64 -1.26 -4.99 113.62 108.05 1xnt n SER 103 Ca 0.04 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.57 1xnt n SER 103 Cb 0.53 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.65 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 5.75 0.49 6.43 2.20 -1.26 -4.88 114.94 125.67 1xnt s ASN 104 Ca 0.00 -3.58 0.31 0.00 -0.94 0.00 0.00 52.86 48.65 1xnt s ASN 104 Cb 0.00 -1.87 1.17 0.00 -2.00 0.00 0.00 41.25 38.55 1xnt s ASN 104 CO 0.00 -0.21 1.90 1.55 -2.94 0.00 0.00 177.10 177.40 1xnt h PRO 105 N 6.13 0.00 -4.35 3.55 0.13 -1.84 -3.43 132.00 132.19 1xnt h PRO 105 Ca 0.13 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.77 1xnt h PRO 105 Cb 0.83 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.62 1xnt h PRO 105 CO 0.81 0.00 -0.80 1.21 -0.23 0.00 0.00 178.00 178.99 1xnt s ASN 106 N -5.56 1.66 0.35 1.44 3.04 -1.26 -3.73 114.94 110.88 1xnt s ASN 106 Ca 0.03 -0.26 -0.14 0.00 0.04 0.00 0.00 52.86 52.52 1xnt s ASN 106 Cb 0.09 -0.74 0.04 0.00 -1.54 0.00 0.00 41.25 39.10 1xnt s ASN 106 CO 0.54 -0.02 0.71 -0.60 -3.04 0.00 0.00 177.10 174.70 1xnt s ARG 107 N 0.95 2.07 0.13 0.43 3.52 -1.25 -5.01 118.95 119.78 1xnt s ARG 107 Ca -0.10 -1.40 0.02 0.00 -0.13 0.00 0.00 55.73 54.13 1xnt s ARG 107 Cb -0.15 0.59 -0.01 0.00 -1.56 0.00 0.00 34.95 33.82 1xnt s ARG 107 CO 0.00 -0.95 0.07 1.33 -0.81 0.00 0.00 175.30 174.95 1xnt n VAL 108 N -0.51 0.00 -3.54 7.11 0.24 -1.26 -2.41 118.33 117.96 1xnt n VAL 108 Ca -0.06 -0.83 -0.17 0.00 -2.04 0.00 0.00 64.34 61.24 1xnt n VAL 108 Cb 0.60 0.35 -0.06 0.00 -1.47 0.00 0.00 33.84 33.26 1xnt n VAL 108 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1xnt s ARG 109 N -2.51 1.00 0.11 7.34 6.06 0.32 -4.84 118.95 126.44 1xnt s ARG 109 Ca 0.10 0.33 0.07 0.00 -2.50 0.00 0.00 55.73 53.73 1xnt s ARG 109 Cb 0.00 0.47 -0.04 0.00 0.06 0.00 0.00 34.95 35.45 1xnt s ARG 109 CO 0.07 -0.29 -0.18 -1.64 -2.50 0.00 0.00 175.30 170.75 1xnt s MET 110 N -1.01 1.09 0.33 5.12 -1.94 -1.26 -1.39 119.30 120.23 1xnt s MET 110 Ca -0.09 -1.20 0.08 0.00 -1.71 0.00 0.00 55.69 52.77 1xnt s MET 110 Cb -0.01 -1.20 -0.06 0.00 2.01 0.00 0.00 34.83 35.57 1xnt s MET 110 CO 0.08 0.26 -0.06 -0.06 -0.01 0.00 0.00 175.02 175.24 1xnt s PHE 111 N -1.54 2.22 0.00 -0.03 0.40 0.11 -4.97 117.98 114.17 1xnt s PHE 111 Ca 0.08 -0.62 0.00 0.00 -0.60 0.00 0.00 56.93 55.79 1xnt s PHE 111 Cb -0.08 -1.32 0.00 0.00 0.51 0.00 0.00 43.02 42.13 1xnt s PHE 111 CO 0.04 0.43 0.00 0.41 0.70 0.00 0.00 175.22 176.80 1xnt n GLY 112 N -0.73 5.46 0.20 4.36 0.00 -1.26 -1.28 105.19 111.95 1xnt n GLY 112 Ca -0.05 -1.16 -0.19 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.62 -3.15 132.00 129.70 1xnt h PRO 113 Ca 0.00 -0.71 -0.04 0.00 -0.87 0.00 0.00 66.00 64.38 1xnt h PRO 113 Cb 0.00 0.18 -0.01 0.00 0.13 0.00 0.00 31.00 31.31 1xnt h PRO 113 CO 0.00 1.30 -0.20 -0.44 -0.23 0.00 0.00 178.00 178.43 1xnt h ASP 114 N 0.43 0.00 -0.16 1.44 5.19 -1.97 -1.66 116.42 119.69 1xnt h ASP 114 Ca -0.10 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.31 1xnt h ASP 114 Cb 1.58 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.09 1xnt h ASP 114 CO 0.19 0.20 0.00 0.29 -3.12 0.00 0.00 179.24 176.80 1xnt n LYS 115 N -3.97 1.88 -5.10 3.56 5.02 -1.22 -4.87 118.16 113.46 1xnt n LYS 115 Ca -0.02 -1.31 -0.28 0.00 -2.02 0.00 0.00 58.31 54.67 1xnt n LYS 115 Cb 0.28 -1.43 -0.16 0.00 -0.02 0.00 0.00 35.03 33.70 1xnt n LYS 115 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 1xnt s LEU 116 N -1.66 2.04 0.20 -0.35 0.05 -0.62 -4.24 118.68 114.09 1xnt s LEU 116 Ca 0.34 -0.41 -0.32 0.00 0.05 0.00 0.00 54.13 53.79 1xnt s LEU 116 Cb 0.19 -1.16 -0.12 0.00 -2.05 0.00 0.00 46.19 43.05 1xnt s LEU 116 CO 0.29 0.27 1.73 0.55 -0.55 0.00 0.00 176.35 178.63 1xnt n VAL 117 N 2.60 0.04 0.09 1.48 3.14 -0.52 -4.83 118.33 120.32 1xnt n VAL 117 Ca -0.16 -0.01 -0.07 0.00 -2.96 0.00 0.00 64.34 61.15 1xnt n VAL 117 Cb 0.52 -1.98 0.05 0.00 -1.06 0.00 0.00 33.84 31.38 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 6.91 0.19 0.00 1.45 3.08 -1.93 0.84 114.38 124.92 1xnt h ARG 118 Ca -0.43 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 59.43 1xnt h ARG 118 Cb 1.21 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.29 1xnt h ARG 118 CO 0.95 0.86 -0.06 0.00 -1.07 0.00 0.00 179.97 180.65 1xnt h ALA 119 N 1.09 1.14 0.00 0.04 0.00 -2.00 -3.12 119.26 116.41 1xnt h ALA 119 Ca -0.03 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1xnt h ALA 119 Cb 1.33 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 1xnt h ALA 119 CO 0.11 0.08 -1.37 0.00 0.00 0.00 0.00 179.25 178.07 1xnt n ALA 120 N -2.18 2.36 -0.34 0.00 0.00 -1.13 -4.59 120.51 114.63 1xnt n ALA 120 Ca -0.01 -0.27 0.21 0.00 0.00 0.00 0.00 53.44 53.37 1xnt n ALA 120 Cb 0.21 0.40 0.46 0.00 0.00 0.00 0.00 19.45 20.52 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 -0.17 2.05 -0.01 0.00 0.00 0.62 0.81 119.26 122.55 1xnt h ALA 121 Ca -0.16 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1xnt h ALA 121 Cb 1.17 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1xnt h ALA 121 CO -0.08 -0.49 0.00 -0.85 0.00 0.00 0.00 179.25 177.83 1xnt n GLU 122 N -4.74 1.11 -3.47 0.00 -0.00 -1.18 -0.98 120.64 111.37 1xnt n GLU 122 Ca 0.26 -0.16 -0.38 0.00 -0.00 0.00 0.00 57.16 56.89 1xnt n GLU 122 Cb 0.83 -1.40 -0.06 0.00 -0.00 0.00 0.00 31.44 30.82 1xnt n GLU 122 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1xnt s LYS 123 N -1.98 4.06 -0.23 3.44 1.02 0.28 -4.85 119.74 121.49 1xnt s LYS 123 Ca 0.37 0.36 -0.29 0.00 0.02 0.00 0.00 55.97 56.43 1xnt s LYS 123 Cb 0.17 -3.30 -0.03 0.00 -0.52 0.00 0.00 37.83 34.15 1xnt s LYS 123 CO 0.29 0.49 1.78 1.03 -0.92 0.00 0.00 175.35 178.02 1xnt s ARG 124 N -0.42 3.60 0.34 1.68 0.52 -1.26 -4.27 118.95 119.14 1xnt s ARG 124 Ca 0.23 1.72 0.09 0.00 -0.52 0.00 0.00 55.73 57.25 1xnt s ARG 124 Cb -0.16 -4.14 -0.06 0.00 0.52 0.00 0.00 34.95 31.12 1xnt s ARG 124 CO 0.11 -1.54 -0.02 -1.58 0.02 0.00 0.00 175.30 172.30 1xnt s TRP 125 N 6.03 2.51 -0.00 -0.53 0.52 0.16 -4.71 118.94 122.92 1xnt s TRP 125 Ca 0.79 -0.44 0.00 0.00 0.02 0.00 0.00 56.10 56.47 1xnt s TRP 125 Cb -0.27 -1.44 0.00 0.00 -1.15 0.00 0.00 33.47 30.62 1xnt s TRP 125 CO 0.32 0.51 0.74 -0.40 0.02 0.00 0.00 176.95 178.15 1xnt n ASP 126 N -0.91 0.01 -3.86 2.95 5.68 -0.49 -0.67 116.55 119.27 1xnt n ASP 126 Ca -0.04 -1.49 -0.11 0.00 -0.50 0.00 0.00 54.79 52.64 1xnt n ASP 126 Cb 0.62 -0.10 -0.11 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 -0.01 0.39 0.00 0.11 0.52 0.12 -1.41 118.95 118.67 1xnt s ARG 127 Ca 0.00 -0.22 0.01 0.00 -0.52 0.00 0.00 55.73 54.99 1xnt s ARG 127 Cb 0.00 0.16 -0.00 0.00 0.52 0.00 0.00 34.95 35.63 1xnt s ARG 127 CO 0.00 -0.08 -0.03 0.54 0.02 0.00 0.00 175.30 175.75 1xnt s VAL 128 N -0.95 0.20 -0.07 3.52 0.11 -0.55 -2.04 120.40 120.62 1xnt s VAL 128 Ca -0.10 -0.17 -0.05 0.00 -2.93 0.00 0.00 61.98 58.73 1xnt s VAL 128 Cb -0.06 -0.18 -0.04 0.00 -1.53 0.00 0.00 36.38 34.57 1xnt s VAL 128 CO 0.01 0.01 0.15 -0.75 -3.33 0.00 0.00 175.10 171.20 1xnt s LYS 129 N -0.17 3.42 -0.21 1.54 2.20 -0.43 0.09 119.74 126.18 1xnt s LYS 129 Ca -0.00 -0.23 -0.04 0.00 -0.36 0.00 0.00 55.97 55.33 1xnt s LYS 129 Cb -0.02 -3.13 0.07 0.00 -1.51 0.00 0.00 37.83 33.25 1xnt s LYS 129 CO -0.00 0.73 0.08 0.42 -0.36 0.00 0.00 175.35 176.22 1xnt s ILE 130 N -1.16 0.12 -0.20 5.43 -1.09 0.10 -1.22 121.20 123.18 1xnt s ILE 130 Ca 0.21 -0.44 -0.02 0.00 -2.23 0.00 0.00 60.65 58.17 1xnt s ILE 130 Cb -0.12 -0.82 0.00 0.00 -1.58 0.00 0.00 42.46 39.94 1xnt s ILE 130 CO 0.11 -0.37 -0.11 -0.69 -1.23 0.00 0.00 174.94 172.64 1xnt s VAL 131 N 2.03 2.80 0.18 2.92 1.01 -0.31 0.36 120.40 129.40 1xnt s VAL 131 Ca 0.03 -0.69 -0.06 0.00 0.00 0.00 0.00 61.98 61.26 1xnt s VAL 131 Cb -0.16 -2.23 -0.06 0.00 0.00 0.00 0.00 36.38 33.92 1xnt s VAL 131 CO -0.15 0.48 0.43 0.00 0.00 0.00 0.00 175.10 175.86 1xnt s SER 133 N -2.53 -0.53 0.00 0.00 0.01 0.15 -1.18 113.70 109.62 1xnt s SER 133 Ca 0.43 0.89 0.00 0.00 1.31 0.00 0.00 55.95 58.58 1xnt s SER 133 Cb -0.12 0.91 0.00 0.00 0.21 0.00 0.00 66.02 67.02 1xnt s SER 133 CO 0.25 -0.29 0.00 1.67 0.41 0.00 0.00 173.24 175.27 1xnt n GLN 134 N 2.27 0.00 -2.74 12.44 -0.06 -0.40 0.85 117.38 129.74 1xnt n GLN 134 Ca -0.16 0.00 -0.42 0.00 -2.00 0.00 0.00 57.00 54.42 1xnt n GLN 134 Cb 0.56 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.71 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 -0.93 4.34 0.00 3.69 0.04 -1.24 -4.28 135.00 136.61 1xnt s PRO 135 Ca 0.00 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.31 1xnt s PRO 135 Cb 0.00 -3.58 0.00 0.00 0.04 0.00 0.00 34.50 30.96 1xnt s PRO 135 CO 0.00 -0.41 0.20 2.48 0.04 0.00 0.00 177.00 179.31 1xnt n TYR 136 N 5.45 0.00 -3.86 0.56 0.18 -0.81 -4.99 117.16 113.69 1xnt n TYR 136 Ca 0.08 0.00 -0.08 0.00 1.88 0.00 0.00 57.90 59.78 1xnt n TYR 136 Cb 0.48 0.04 -0.02 0.00 -0.38 0.00 0.00 39.34 39.46 1xnt n TYR 136 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1xnt n SER 137 N 0.00 -0.71 0.00 9.48 2.88 -1.07 -5.00 113.62 119.20 1xnt n SER 137 Ca 0.00 -2.03 0.00 0.00 -1.33 0.00 0.00 58.87 55.51 1xnt n SER 137 Cb 0.40 1.34 0.00 0.00 -0.75 0.00 0.00 64.21 65.20 1xnt n SER 137 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1xnt n LYS 138 N -0.31 0.58 0.00 -1.46 4.76 -1.24 -4.35 118.16 116.15 1xnt n LYS 138 Ca 0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 1xnt n LYS 138 Cb 0.32 -0.57 0.00 0.00 -1.84 0.00 0.00 35.03 32.93 1xnt n LYS 138 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1xnt n ASP 139 N -0.74 0.07 -4.74 4.39 5.68 -1.26 -3.34 116.55 116.61 1xnt n ASP 139 Ca 0.00 -0.41 -0.31 0.00 -0.50 0.00 0.00 54.79 53.57 1xnt n ASP 139 Cb 0.07 0.63 -0.07 0.00 -1.14 0.00 0.00 41.12 40.61 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 -0.63 5.36 0.09 -1.12 1.04 -1.26 -4.42 113.70 112.76 1xnt s SER 140 Ca 0.00 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.39 1xnt s SER 140 Cb 0.00 -1.40 0.00 0.00 0.10 0.00 0.00 66.02 64.72 1xnt s SER 140 CO 0.00 0.19 0.00 -0.81 0.98 0.00 0.00 173.24 173.60 1xnt n PRO 141 N 0.66 1.51 -0.06 4.02 -0.04 -1.26 -1.58 135.00 138.25 1xnt n PRO 141 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 1xnt n PRO 141 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 1xnt n PRO 141 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1xnt n PHE 142 N -0.24 -0.00 -3.46 0.54 -1.74 -1.26 -4.75 117.46 106.54 1xnt n PHE 142 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 1xnt n PHE 142 Cb 0.00 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.00 1xnt n PHE 142 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1xnt n GLY 143 N 0.00 -0.71 3.92 4.97 0.00 -1.25 0.38 105.19 112.49 1xnt n GLY 143 Ca 0.00 -1.28 -0.31 0.00 0.00 0.00 0.00 46.02 44.44 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 4.34 0.18 0.99 1.02 -1.05 -1.02 118.68 123.14 1xnt s LEU 144 Ca 0.00 0.31 0.07 0.00 0.02 0.00 0.00 54.13 54.53 1xnt s LEU 144 Cb 0.00 -3.01 0.01 0.00 0.02 0.00 0.00 46.19 43.21 1xnt s LEU 144 CO 0.00 0.14 1.40 0.77 0.02 0.00 0.00 176.35 178.68 1xnt h SER 145 N 2.93 0.06 -5.59 2.29 4.64 -1.09 0.19 113.55 116.98 1xnt h SER 145 Ca -0.46 -0.05 0.31 0.00 -0.47 0.00 0.00 61.79 61.12 1xnt h SER 145 Cb 1.16 -0.02 -0.13 0.00 -0.31 0.00 0.00 62.40 63.11 1xnt h SER 145 CO 0.75 0.89 0.81 0.72 -0.87 0.00 0.00 176.83 179.13 1xnt s PHE 146 N -3.09 -0.06 0.06 4.77 -0.71 -1.20 -4.52 117.98 113.23 1xnt s PHE 146 Ca -0.01 -0.05 0.00 0.00 -1.04 0.00 0.00 56.93 55.83 1xnt s PHE 146 Cb 0.11 0.55 -0.04 0.00 -1.21 0.00 0.00 43.02 42.43 1xnt s PHE 146 CO 0.81 -0.29 -0.04 0.14 -1.34 0.00 0.00 175.22 174.49 1xnt s VAL 147 N -2.46 0.34 0.15 -2.49 -7.23 -1.26 -1.66 120.40 105.79 1xnt s VAL 147 Ca 0.14 -1.61 -0.23 0.00 -1.81 0.00 0.00 61.98 58.46 1xnt s VAL 147 Cb 0.04 -1.25 0.07 0.00 0.56 0.00 0.00 36.38 35.80 1xnt s VAL 147 CO -0.04 -0.83 0.60 -0.13 -0.31 0.00 0.00 175.10 174.40 1xnt s ARG 148 N -3.25 1.27 0.03 4.82 0.52 0.33 -4.90 118.95 117.76 1xnt s ARG 148 Ca 0.02 -0.45 -0.15 0.00 -0.52 0.00 0.00 55.73 54.64 1xnt s ARG 148 Cb 0.03 0.59 0.02 0.00 0.52 0.00 0.00 34.95 36.10 1xnt s ARG 148 CO -0.06 -0.55 0.32 -0.06 0.02 0.00 0.00 175.30 174.97 1xnt s PHE 149 N -3.68 -0.15 -0.16 -0.53 0.08 -1.24 -1.37 117.98 110.92 1xnt s PHE 149 Ca 0.01 0.10 -0.21 0.00 0.12 0.00 0.00 56.93 56.95 1xnt s PHE 149 Cb -0.01 0.12 0.05 0.00 -0.57 0.00 0.00 43.02 42.61 1xnt s PHE 149 CO -0.12 -0.48 0.56 -1.01 -0.10 0.00 0.00 175.22 174.07 1xnt s HIS 150 N -2.17 -0.58 -2.20 0.36 3.76 -0.04 -1.41 115.29 113.00 1xnt s HIS 150 Ca -0.08 1.32 0.18 0.00 -0.15 0.00 0.00 55.06 56.33 1xnt s HIS 150 Cb -0.02 0.24 0.14 0.00 1.11 0.00 0.00 32.58 34.05 1xnt s HIS 150 CO -0.01 -0.37 1.06 -1.13 -0.85 0.00 0.00 174.74 173.44