#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 4.18 0.34 3.17 0.04 -1.26 -5.05 135.00 136.43 1xnt s PRO 2 Ca 0.00 0.83 0.06 0.00 0.04 0.00 0.00 61.00 61.93 1xnt s PRO 2 Cb 0.00 -3.63 -0.03 0.00 0.04 0.00 0.00 34.50 30.88 1xnt s PRO 2 CO 0.00 -0.45 0.24 -1.83 0.04 0.00 0.00 177.00 175.00 1xnt s GLU 3 N 2.60 1.76 -0.04 4.56 -1.05 -1.26 -4.12 118.70 121.15 1xnt s GLU 3 Ca 0.33 -2.03 0.01 0.00 -0.15 0.00 0.00 54.97 53.12 1xnt s GLU 3 Cb -0.16 0.13 0.02 0.00 -0.44 0.00 0.00 34.13 33.69 1xnt s GLU 3 CO 0.08 -0.60 -0.02 0.42 0.95 0.00 0.00 175.26 176.09 1xnt s ILE 4 N -3.44 0.38 0.31 1.83 1.01 -0.24 -4.50 121.20 116.54 1xnt s ILE 4 Ca 0.37 -0.02 0.00 0.00 0.00 0.00 0.00 60.65 61.00 1xnt s ILE 4 Cb 0.03 -0.45 -0.00 0.00 0.01 0.00 0.00 42.46 42.05 1xnt s ILE 4 CO 0.24 0.20 0.00 0.54 0.00 0.00 0.00 174.94 175.92 1xnt n ARG 5 N 4.19 1.26 -4.25 2.79 1.74 -1.26 -2.51 116.66 118.62 1xnt n ARG 5 Ca -0.24 -2.23 -0.23 0.00 -0.77 0.00 0.00 57.85 54.38 1xnt n ARG 5 Cb 0.51 0.60 -0.07 0.00 -1.02 0.00 0.00 32.46 32.48 1xnt n ARG 5 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1xnt s LEU 6 N 0.00 3.29 -0.16 0.55 2.01 -1.26 -3.11 118.68 119.99 1xnt s LEU 6 Ca 0.00 -0.60 -0.07 0.00 0.01 0.00 0.00 54.13 53.48 1xnt s LEU 6 Cb 0.00 -1.81 -0.08 0.00 0.01 0.00 0.00 46.19 44.31 1xnt s LEU 6 CO 0.00 -0.03 -0.20 -1.14 1.01 0.00 0.00 176.35 175.99 1xnt n ARG 7 N -0.96 0.36 -3.52 1.70 0.63 0.27 -4.50 116.66 110.63 1xnt n ARG 7 Ca -0.06 0.14 -0.11 0.00 -0.92 0.00 0.00 57.85 56.90 1xnt n ARG 7 Cb 0.59 -1.13 -0.02 0.00 0.45 0.00 0.00 32.46 32.35 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 -2.31 -0.45 -1.11 -0.14 -3.43 -1.25 -4.99 115.29 101.61 1xnt s HIS 8 Ca -0.23 0.19 -0.21 0.00 -0.80 0.00 0.00 55.06 54.01 1xnt s HIS 8 Cb 0.08 0.59 0.05 0.00 -1.43 0.00 0.00 32.58 31.87 1xnt s HIS 8 CO 0.31 -0.91 1.58 0.54 -2.00 0.00 0.00 174.74 174.26 1xnt s VAL 9 N -3.74 3.96 0.13 -5.38 0.11 -1.26 -0.09 120.40 114.13 1xnt s VAL 9 Ca 0.04 -1.14 -0.27 0.00 -2.93 0.00 0.00 61.98 57.67 1xnt s VAL 9 Cb -0.02 -5.05 -0.04 0.00 -1.53 0.00 0.00 36.38 29.74 1xnt s VAL 9 CO -0.08 -1.90 1.60 1.62 -3.33 0.00 0.00 175.10 173.01 1xnt h VAL 10 N 6.38 0.23 -3.14 2.04 3.04 -1.71 -3.43 116.25 119.66 1xnt h VAL 10 Ca 0.28 0.00 -0.56 0.00 -1.01 0.00 0.00 66.70 65.41 1xnt h VAL 10 Cb 0.96 0.23 -0.18 0.00 -2.01 0.00 0.00 31.29 30.30 1xnt h VAL 10 CO 1.43 0.00 -0.79 -0.44 -1.01 0.00 0.00 177.57 176.76 1xnt s SER 11 N -4.88 2.97 -0.23 3.17 0.01 -0.40 -5.01 113.70 109.33 1xnt s SER 11 Ca -0.15 -0.89 -0.05 0.00 1.31 0.00 0.00 55.95 56.17 1xnt s SER 11 Cb 0.10 -0.20 0.12 0.00 0.21 0.00 0.00 66.02 66.25 1xnt s SER 11 CO 0.65 0.01 0.42 0.00 0.41 0.00 0.00 173.24 174.73 1xnt n SER 13 N 5.38 6.93 0.00 0.00 7.64 0.19 -4.80 113.62 128.96 1xnt n SER 13 Ca -0.06 -3.80 0.00 0.00 1.01 0.00 0.00 58.87 56.02 1xnt n SER 13 Cb 0.50 -0.90 0.00 0.00 -1.01 0.00 0.00 64.21 62.80 1xnt n SER 13 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1xnt n SER 14 N -0.62 0.00 -3.64 6.43 2.88 -1.11 -2.02 113.62 115.54 1xnt n SER 14 Ca 0.53 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 58.02 1xnt n SER 14 Cb 0.44 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.83 1xnt n SER 14 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xnt s GLN 15 N -0.50 0.64 0.33 -1.46 1.03 -1.26 -4.62 119.66 113.82 1xnt s GLN 15 Ca 0.00 1.21 -0.15 0.00 0.04 0.00 0.00 55.36 56.47 1xnt s GLN 15 Cb 0.00 0.30 -0.09 0.00 0.03 0.00 0.00 33.01 33.25 1xnt s GLN 15 CO 0.00 -0.15 0.74 0.34 -2.54 0.00 0.00 175.29 173.68 1xnt s ASP 16 N 1.90 6.76 0.06 12.60 -1.08 0.92 -3.46 116.67 134.38 1xnt s ASP 16 Ca -0.09 1.28 -0.30 0.00 -0.52 0.00 0.00 52.55 52.93 1xnt s ASP 16 Cb -0.06 -2.37 -0.18 0.00 -1.46 0.00 0.00 42.92 38.85 1xnt s ASP 16 CO -0.19 -0.22 1.56 0.28 0.52 0.00 0.00 175.17 177.12 1xnt h SER 17 N 2.20 -0.56 0.85 -0.34 0.02 -1.89 -0.94 113.55 112.89 1xnt h SER 17 Ca -0.48 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.41 1xnt h SER 17 Cb 1.17 0.14 0.01 0.00 0.14 0.00 0.00 62.40 63.87 1xnt h SER 17 CO 0.65 -0.34 -0.41 0.71 -1.14 0.00 0.00 176.83 176.30 1xnt h THR 18 N -0.73 0.00 -3.65 -2.27 1.35 -1.97 -3.33 112.91 102.31 1xnt h THR 18 Ca -0.07 -0.11 -0.77 0.00 -0.55 0.00 0.00 66.41 64.91 1xnt h THR 18 Cb 0.54 0.00 -0.29 0.00 -1.73 0.00 0.00 68.15 66.67 1xnt h THR 18 CO 0.11 0.00 0.16 -1.00 -0.25 0.00 0.00 175.52 174.54 1xnt s HIS 19 N -5.33 3.93 0.43 4.73 3.76 -1.23 -5.04 115.29 116.54 1xnt s HIS 19 Ca -0.17 -2.44 0.00 0.00 -0.15 0.00 0.00 55.06 52.31 1xnt s HIS 19 Cb 0.02 -3.70 -0.01 0.00 1.11 0.00 0.00 32.58 30.00 1xnt s HIS 19 CO 0.50 -0.93 0.65 0.00 -0.85 0.00 0.00 174.74 174.11 1xnt h ALA 21 N 0.47 1.17 0.00 0.00 0.00 -1.82 -1.23 119.26 117.85 1xnt h ALA 21 Ca -0.47 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 1xnt h ALA 21 Cb 1.24 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1xnt h ALA 21 CO 0.58 0.02 -0.01 1.49 0.00 0.00 0.00 179.25 181.33 1xnt h GLU 22 N 0.00 0.00 0.00 0.00 4.81 -1.95 -0.76 114.58 116.69 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 0.01 0.00 -0.91 -0.73 0.00 0.00 179.01 177.38 1xnt h ASN 23 N 0.00 0.00 0.44 1.04 2.35 -1.51 -1.17 115.58 116.72 1xnt h ASN 23 Ca -0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 1xnt h ASN 23 Cb 0.16 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 1xnt h ASN 23 CO 0.00 0.00 -0.19 -0.07 -1.65 0.00 0.00 177.43 175.52 1xnt h LEU 24 N 0.00 0.00 -1.86 1.61 3.38 -1.33 -1.12 115.31 116.00 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 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1xnt h LEU 24 CO 0.00 0.19 0.00 -0.07 0.09 0.00 0.00 178.44 178.65 1xnt h LEU 25 N 0.00 0.00 -6.10 1.67 -0.00 -1.38 -3.06 115.31 106.44 1xnt h LEU 25 Ca -0.00 0.00 -0.67 0.00 -0.00 0.00 0.00 57.88 57.21 1xnt h LEU 25 Cb 0.46 0.00 -0.37 0.00 -0.00 0.00 0.00 40.66 40.75 1xnt h LEU 25 CO 0.02 0.00 -0.09 0.29 -0.00 0.00 0.00 178.44 178.66 1xnt n LYS 26 N -2.67 3.54 -0.07 1.13 4.76 -0.42 -4.87 118.16 119.56 1xnt n LYS 26 Ca -0.01 -4.71 0.26 0.00 -2.87 0.00 0.00 58.31 50.98 1xnt n LYS 26 Cb 0.12 -2.33 0.69 0.00 -1.84 0.00 0.00 35.03 31.66 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 4.10 2.54 -1.77 7.82 0.00 -1.72 -2.68 119.26 127.56 1xnt h ALA 27 Ca 0.23 -0.03 -0.81 0.00 0.00 0.00 0.00 54.91 54.31 1xnt h ALA 27 Cb 0.56 0.05 -0.27 0.00 0.00 0.00 0.00 17.79 18.13 1xnt h ALA 27 CO 0.98 -1.08 0.87 -3.47 0.00 0.00 0.00 179.25 176.56 1xnt n ASP 28 N -3.74 6.59 -0.11 0.00 2.03 -1.26 -4.92 116.55 115.14 1xnt n ASP 28 Ca 0.15 -3.46 0.00 0.00 0.52 0.00 0.00 54.79 52.00 1xnt n ASP 28 Cb 0.96 -1.26 0.00 0.00 -0.72 0.00 0.00 41.12 40.10 1xnt n ASP 28 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1xnt n THR 29 N 1.10 0.00 -2.11 5.18 -2.24 -1.01 -5.06 114.28 110.13 1xnt n THR 29 Ca 0.30 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 62.05 1xnt n THR 29 Cb 0.32 0.00 0.09 0.00 -2.10 0.00 0.00 70.33 68.64 1xnt n THR 29 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xnt n TYR 30 N 0.00 0.96 -3.94 4.78 4.11 -1.26 -4.98 117.16 116.84 1xnt n TYR 30 Ca 0.00 -1.59 -0.31 0.00 -0.00 0.00 0.00 57.90 56.00 1xnt n TYR 30 Cb 0.00 -0.25 -0.15 0.00 -0.00 0.00 0.00 39.34 38.94 1xnt n TYR 30 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 1xnt s ARG 31 N -2.75 1.49 0.46 -3.48 0.52 -1.26 -5.12 118.95 108.81 1xnt s ARG 31 Ca 0.39 -1.29 -0.02 0.00 -0.52 0.00 0.00 55.73 54.30 1xnt s ARG 31 Cb 0.38 -2.69 -0.01 0.00 0.52 0.00 0.00 34.95 33.15 1xnt s ARG 31 CO -0.06 -0.76 0.70 0.15 0.02 0.00 0.00 175.30 175.36 1xnt s LYS 32 N 1.27 3.21 0.32 3.54 1.02 -1.26 -4.48 119.74 123.35 1xnt s LYS 32 Ca 0.01 -0.26 -0.29 0.00 0.02 0.00 0.00 55.97 55.46 1xnt s LYS 32 Cb -0.19 -2.50 -0.10 0.00 -0.52 0.00 0.00 37.83 34.52 1xnt s LYS 32 CO -0.10 -0.25 1.29 -0.46 -0.92 0.00 0.00 175.35 174.91 1xnt s TRP 33 N -2.61 3.11 -0.08 3.18 -0.00 0.11 -4.64 118.94 118.01 1xnt s TRP 33 Ca 0.47 1.43 -0.03 0.00 -0.00 0.00 0.00 56.10 57.97 1xnt s TRP 33 Cb -0.10 -3.64 0.04 0.00 -0.00 0.00 0.00 33.47 29.77 1xnt s TRP 33 CO 0.40 -1.74 0.17 0.50 -0.00 0.00 0.00 176.95 176.28 1xnt s ARG 34 N -1.65 0.10 1.03 5.86 6.06 -1.13 -3.26 118.95 125.97 1xnt s ARG 34 Ca 0.49 0.46 -0.13 0.00 -2.50 0.00 0.00 55.73 54.05 1xnt s ARG 34 Cb -0.39 -0.18 0.15 0.00 0.06 0.00 0.00 34.95 34.59 1xnt s ARG 34 CO 0.51 -0.21 0.70 0.00 -2.50 0.00 0.00 175.30 173.80 1xnt n ALA 35 N 4.55 -2.47 0.02 6.12 0.00 -0.43 -0.05 120.51 128.24 1xnt n ALA 35 Ca -0.20 -0.88 -0.09 0.00 0.00 0.00 0.00 53.44 52.28 1xnt n ALA 35 Cb 0.51 -1.91 -0.13 0.00 0.00 0.00 0.00 19.45 17.92 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 -2.06 0.54 -3.00 0.00 0.00 -1.81 -3.19 119.26 109.74 1xnt h ALA 36 Ca -0.50 -1.19 0.00 0.00 0.00 0.00 0.00 54.91 53.22 1xnt h ALA 36 Cb 1.31 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.28 1xnt h ALA 36 CO 0.41 1.40 0.00 1.17 0.00 0.00 0.00 179.25 182.23 1xnt n LYS 37 N -3.22 2.92 -4.27 0.00 3.00 -1.26 -4.83 118.16 110.50 1xnt n LYS 37 Ca -0.09 0.00 -0.16 0.00 -0.00 0.00 0.00 58.31 58.06 1xnt n LYS 37 Cb 1.00 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 35.94 1xnt n LYS 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1xnt s ALA 38 N -2.72 1.61 0.00 3.14 0.00 -1.26 -4.32 121.76 118.21 1xnt s ALA 38 Ca 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 51.96 50.17 1xnt s ALA 38 Cb 0.00 1.26 0.00 0.00 0.00 0.00 0.00 23.12 24.38 1xnt s ALA 38 CO 0.00 -0.55 0.00 0.41 0.00 0.00 0.00 175.76 175.62 1xnt n GLY 39 N -0.45 3.13 4.06 0.00 0.00 -0.62 -4.64 105.19 106.68 1xnt n GLY 39 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 1xnt n GLY 39 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xnt n GLU 40 N -0.93 -2.28 0.31 1.61 1.02 -1.26 -3.53 120.64 115.58 1xnt n GLU 40 Ca 0.00 0.29 -0.14 0.00 -0.02 0.00 0.00 57.16 57.29 1xnt n GLU 40 Cb 0.00 -4.10 -0.07 0.00 -0.02 0.00 0.00 31.44 27.25 1xnt n GLU 40 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1xnt h LYS 41 N -1.86 -0.79 -1.98 3.49 3.64 -1.82 -3.10 116.57 114.15 1xnt h LYS 41 Ca -0.65 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.79 1xnt h LYS 41 Cb 1.38 0.18 -0.21 0.00 -0.41 0.00 0.00 32.23 33.17 1xnt h LYS 41 CO 0.64 -0.50 0.08 0.95 -2.27 0.00 0.00 179.45 178.35 1xnt s THR 42 N -4.45 0.00 0.07 1.00 -4.23 -1.26 -2.67 115.64 104.09 1xnt s THR 42 Ca -0.13 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 60.41 1xnt s THR 42 Cb 0.01 -1.00 -0.03 0.00 1.34 0.00 0.00 72.50 72.82 1xnt s THR 42 CO 0.41 0.00 -0.09 0.27 -0.54 0.00 0.00 174.62 174.67 1xnt s ILE 43 N 1.15 0.74 0.08 2.99 -4.36 -0.64 -4.99 121.20 116.17 1xnt s ILE 43 Ca -0.06 -1.37 0.06 0.00 -0.26 0.00 0.00 60.65 59.01 1xnt s ILE 43 Cb -0.05 -1.01 -0.03 0.00 1.25 0.00 0.00 42.46 42.62 1xnt s ILE 43 CO -0.12 -0.48 -0.15 -0.55 0.24 0.00 0.00 174.94 173.88 1xnt s SER 44 N -2.03 1.84 -0.25 4.36 0.15 -0.86 -0.36 113.70 116.55 1xnt s SER 44 Ca -0.02 -0.64 -0.02 0.00 0.70 0.00 0.00 55.95 55.97 1xnt s SER 44 Cb -0.06 -0.06 0.13 0.00 -1.71 0.00 0.00 66.02 64.32 1xnt s SER 44 CO -0.00 -0.06 0.34 0.54 1.20 0.00 0.00 173.24 175.26 1xnt s VAL 45 N -1.32 -0.53 -0.29 4.45 0.11 0.20 0.56 120.40 123.58 1xnt s VAL 45 Ca 0.00 -0.20 -0.20 0.00 -2.93 0.00 0.00 61.98 58.66 1xnt s VAL 45 Cb -0.10 -0.86 -0.02 0.00 -1.53 0.00 0.00 36.38 33.88 1xnt s VAL 45 CO 0.03 -0.23 0.59 -0.69 -3.33 0.00 0.00 175.10 171.47 1xnt s VAL 46 N 2.47 4.99 0.21 2.04 1.01 0.14 -1.23 120.40 130.02 1xnt s VAL 46 Ca 0.11 0.89 0.04 0.00 0.00 0.00 0.00 61.98 63.02 1xnt s VAL 46 Cb -0.15 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 1xnt s VAL 46 CO -0.21 -0.05 0.32 -0.76 0.00 0.00 0.00 175.10 174.40 1xnt s LEU 47 N 2.50 4.29 -0.17 3.92 1.02 0.56 -1.28 118.68 129.53 1xnt s LEU 47 Ca 0.24 0.09 -0.06 0.00 0.02 0.00 0.00 54.13 54.41 1xnt s LEU 47 Cb -0.15 -2.84 -0.04 0.00 0.02 0.00 0.00 46.19 43.18 1xnt s LEU 47 CO 0.10 -0.03 0.04 -1.58 0.02 0.00 0.00 176.35 174.91 1xnt s GLN 48 N -3.71 3.82 -0.21 1.70 -0.44 0.88 -1.26 119.66 120.45 1xnt s GLN 48 Ca 0.34 -0.37 -0.28 0.00 -2.50 0.00 0.00 55.36 52.55 1xnt s GLN 48 Cb -0.10 -3.13 0.00 0.00 -1.64 0.00 0.00 33.01 28.15 1xnt s GLN 48 CO 0.29 0.33 0.98 -0.51 0.50 0.00 0.00 175.29 176.87 1xnt s LEU 49 N 0.20 4.13 0.00 3.68 2.01 0.07 0.95 118.68 129.71 1xnt s LEU 49 Ca 0.03 1.33 0.00 0.00 0.01 0.00 0.00 54.13 55.50 1xnt s LEU 49 Cb -0.13 -3.46 0.00 0.00 0.01 0.00 0.00 46.19 42.62 1xnt s LEU 49 CO 0.01 -0.58 0.68 1.21 1.01 0.00 0.00 176.35 178.67 1xnt n GLU 50 N 5.95 0.00 -3.66 1.70 2.13 -1.18 -4.52 120.64 121.06 1xnt n GLU 50 Ca 0.10 0.23 -0.15 0.00 0.66 0.00 0.00 57.16 58.00 1xnt n GLU 50 Cb 0.47 -1.60 -0.07 0.00 0.27 0.00 0.00 31.44 30.51 1xnt n GLU 50 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 1xnt s LYS 51 N -2.36 0.83 -0.41 5.31 0.00 -1.26 -5.00 119.74 116.85 1xnt s LYS 51 Ca 0.00 -0.04 -0.20 0.00 0.00 0.00 0.00 55.97 55.73 1xnt s LYS 51 Cb 0.00 0.38 0.02 0.00 0.00 0.00 0.00 37.83 38.23 1xnt s LYS 51 CO 0.00 -0.25 0.59 -2.00 0.00 0.00 0.00 175.35 173.69 1xnt s GLU 52 N -1.37 3.34 0.31 1.78 2.12 -1.26 -4.57 118.70 119.05 1xnt s GLU 52 Ca -0.12 -0.36 -0.00 0.00 0.36 0.00 0.00 54.97 54.84 1xnt s GLU 52 Cb -0.03 -3.92 0.00 0.00 0.26 0.00 0.00 34.13 30.45 1xnt s GLU 52 CO 0.06 -0.90 0.41 -0.85 -0.54 0.00 0.00 175.26 173.44 1xnt n GLU 53 N 6.04 0.59 -0.42 4.30 0.28 -0.04 -4.73 120.64 126.67 1xnt n GLU 53 Ca -0.03 -2.56 -0.03 0.00 -0.16 0.00 0.00 57.16 54.38 1xnt n GLU 53 Cb 0.48 2.41 0.02 0.00 1.43 0.00 0.00 31.44 35.78 1xnt n GLU 53 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1xnt n GLN 54 N -0.52 0.10 -3.64 3.44 6.02 -1.26 0.21 117.38 121.72 1xnt n GLN 54 Ca 0.01 -0.24 -0.22 0.00 -0.01 0.00 0.00 57.00 56.54 1xnt n GLN 54 Cb 0.53 -0.12 -0.18 0.00 1.02 0.00 0.00 30.24 31.49 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 -0.89 -0.11 -0.20 5.09 1.09 0.01 -4.62 121.20 121.58 1xnt s ILE 55 Ca 0.08 0.18 0.14 0.00 -1.10 0.00 0.00 60.65 59.94 1xnt s ILE 55 Cb -0.00 -0.33 -0.22 0.00 -1.06 0.00 0.00 42.46 40.85 1xnt s ILE 55 CO 0.05 -0.01 0.01 1.57 -0.10 0.00 0.00 174.94 176.46 1xnt n HIS 56 N 5.29 0.00 -3.82 3.97 -0.00 -1.07 -4.61 115.22 114.98 1xnt n HIS 56 Ca -0.05 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.02 1xnt n HIS 56 Cb 0.50 -0.93 -0.08 0.00 -0.12 0.00 0.00 29.99 29.35 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 -5.53 -0.02 0.10 0.26 0.01 -0.34 -1.52 113.70 106.66 1xnt s SER 57 Ca -0.14 -0.28 0.01 0.00 1.31 0.00 0.00 55.95 56.85 1xnt s SER 57 Cb 0.06 0.30 -0.04 0.00 0.21 0.00 0.00 66.02 66.55 1xnt s SER 57 CO 0.73 -0.54 -0.04 -0.69 0.41 0.00 0.00 173.24 173.11 1xnt s VAL 58 N -2.35 0.56 -0.00 3.43 1.01 -0.38 -1.05 120.40 121.61 1xnt s VAL 58 Ca -0.07 -1.92 0.00 0.00 0.00 0.00 0.00 61.98 60.00 1xnt s VAL 58 Cb -0.02 -1.75 0.00 0.00 0.00 0.00 0.00 36.38 34.61 1xnt s VAL 58 CO -0.03 -0.80 -0.01 -0.62 0.00 0.00 0.00 175.10 173.65 1xnt s ASP 59 N -3.04 0.14 -0.25 3.32 -1.08 0.30 0.35 116.67 116.41 1xnt s ASP 59 Ca 0.14 -0.02 -0.16 0.00 -0.52 0.00 0.00 52.55 51.99 1xnt s ASP 59 Cb 0.06 -0.02 0.07 0.00 -1.46 0.00 0.00 42.92 41.57 1xnt s ASP 59 CO -0.04 0.00 0.62 -0.63 0.52 0.00 0.00 175.17 175.65 1xnt s ILE 60 N 0.05 -0.01 -0.18 4.11 1.09 -0.57 0.42 121.20 126.12 1xnt s ILE 60 Ca -0.00 0.02 -0.06 0.00 -1.10 0.00 0.00 60.65 59.51 1xnt s ILE 60 Cb -0.01 -0.90 -0.03 0.00 -1.06 0.00 0.00 42.46 40.45 1xnt s ILE 60 CO -0.00 0.01 0.02 -0.83 -0.10 0.00 0.00 174.94 174.03 1xnt s GLY 61 N 1.32 1.80 -0.15 6.18 0.00 -0.69 -1.33 107.32 114.44 1xnt s GLY 61 Ca -0.08 -0.82 -0.29 0.00 0.00 0.00 0.00 44.72 43.53 1xnt s GLY 61 CO -0.14 0.06 1.01 0.54 0.00 0.00 0.00 173.10 174.57 1xnt s ASN 62 N 0.51 7.18 -1.13 1.64 2.20 -0.13 -1.44 114.94 123.77 1xnt s ASN 62 Ca 0.00 1.46 -0.06 0.00 -0.94 0.00 0.00 52.86 53.32 1xnt s ASN 62 Cb -0.13 -2.55 0.27 0.00 -2.00 0.00 0.00 41.25 36.84 1xnt s ASN 62 CO 0.02 -0.53 1.49 -0.67 -2.94 0.00 0.00 177.10 174.47 1xnt n ASP 63 N 5.51 5.97 0.00 3.54 2.03 -0.44 -2.69 116.55 130.48 1xnt n ASP 63 Ca 0.10 -3.27 0.00 0.00 0.52 0.00 0.00 54.79 52.14 1xnt n ASP 63 Cb 0.48 -1.34 0.00 0.00 -0.72 0.00 0.00 41.12 39.53 1xnt n ASP 63 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xnt n GLY 64 N 1.97 0.47 3.94 0.27 0.00 -0.88 -3.46 105.19 107.50 1xnt n GLY 64 Ca 0.29 -0.27 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 1xnt n GLY 64 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xnt s SER 65 N -2.25 4.43 0.15 1.61 0.15 -1.26 -4.90 113.70 111.63 1xnt s SER 65 Ca 0.00 0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.91 1xnt s SER 65 Cb 0.00 -0.75 0.00 0.00 -1.71 0.00 0.00 66.02 63.56 1xnt s SER 65 CO 0.00 -1.85 0.00 0.00 1.20 0.00 0.00 173.24 172.59 1xnt n ALA 66 N -3.05 3.00 -2.77 5.45 0.00 -1.26 -4.01 120.51 117.88 1xnt n ALA 66 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.18 1xnt n ALA 66 Cb 0.60 0.09 -0.11 0.00 0.00 0.00 0.00 19.45 20.03 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 3.21 -0.21 0.00 0.08 -0.31 -0.13 117.98 118.63 1xnt s PHE 67 Ca 0.00 -0.01 0.00 0.00 0.12 0.00 0.00 56.93 57.05 1xnt s PHE 67 Cb 0.00 -2.26 0.05 0.00 -0.57 0.00 0.00 43.02 40.24 1xnt s PHE 67 CO 0.00 -0.11 -0.06 0.08 -0.10 0.00 0.00 175.22 175.03 1xnt s VAL 68 N 1.32 1.42 -0.06 -0.44 1.01 -0.32 0.60 120.40 123.94 1xnt s VAL 68 Ca 0.06 -1.00 -0.02 0.00 0.00 0.00 0.00 61.98 61.02 1xnt s VAL 68 Cb -0.15 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 1xnt s VAL 68 CO 0.06 0.02 0.07 -0.70 0.00 0.00 0.00 175.10 174.55 1xnt s GLU 69 N 1.47 3.11 -0.06 2.72 2.12 0.01 0.40 118.70 128.47 1xnt s GLU 69 Ca -0.03 -0.39 0.01 0.00 0.36 0.00 0.00 54.97 54.93 1xnt s GLU 69 Cb -0.17 -2.90 0.02 0.00 0.26 0.00 0.00 34.13 31.33 1xnt s GLU 69 CO -0.07 0.69 -0.09 0.08 -0.54 0.00 0.00 175.26 175.34 1xnt s VAL 70 N -1.06 0.88 0.29 3.70 1.01 -0.58 -0.82 120.40 123.82 1xnt s VAL 70 Ca 0.18 -0.31 0.10 0.00 0.00 0.00 0.00 61.98 61.95 1xnt s VAL 70 Cb -0.12 -0.85 -0.05 0.00 0.00 0.00 0.00 36.38 35.37 1xnt s VAL 70 CO 0.08 0.31 -0.05 -0.76 0.00 0.00 0.00 175.10 174.67 1xnt s LEU 71 N 0.89 2.97 0.27 3.92 1.02 -0.29 -1.72 118.68 125.74 1xnt s LEU 71 Ca -0.11 -0.84 0.09 0.00 0.02 0.00 0.00 54.13 53.29 1xnt s LEU 71 Cb -0.15 -1.46 -0.05 0.00 0.02 0.00 0.00 46.19 44.55 1xnt s LEU 71 CO 0.01 -0.05 -0.14 0.68 0.02 0.00 0.00 176.35 176.87 1xnt s VAL 72 N -2.43 2.07 0.00 -1.59 -7.23 -0.18 -1.43 120.40 109.62 1xnt s VAL 72 Ca 0.32 -2.26 0.00 0.00 -1.81 0.00 0.00 61.98 58.23 1xnt s VAL 72 Cb -0.04 -2.33 0.00 0.00 0.56 0.00 0.00 36.38 34.57 1xnt s VAL 72 CO 0.18 -0.40 0.00 0.61 -0.31 0.00 0.00 175.10 175.19 1xnt n GLY 73 N -0.58 0.05 3.69 2.32 0.00 -0.76 -0.22 105.19 109.69 1xnt n GLY 73 Ca -0.06 -0.94 -0.23 0.00 0.00 0.00 0.00 46.02 44.79 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 4.63 0.00 1.61 0.15 -1.26 -0.51 113.70 118.32 1xnt s SER 74 Ca 0.00 -0.69 0.16 0.00 0.70 0.00 0.00 55.95 56.12 1xnt s SER 74 Cb 0.00 -0.82 0.65 0.00 -1.71 0.00 0.00 66.02 64.14 1xnt s SER 74 CO 0.00 -0.13 1.46 -0.24 1.20 0.00 0.00 173.24 175.53 1xnt n SER 75 N -1.01 1.14 0.00 5.45 2.88 -1.26 -4.44 113.62 116.37 1xnt n SER 75 Ca -0.05 -1.74 0.00 0.00 -1.33 0.00 0.00 58.87 55.75 1xnt n SER 75 Cb 0.60 -0.10 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 1xnt n SER 75 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xnt n ALA 76 N 0.02 -0.12 -3.72 -1.46 0.00 -1.26 -4.51 120.51 109.46 1xnt n ALA 76 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.29 1xnt n ALA 76 Cb 0.22 0.01 -0.11 0.00 0.00 0.00 0.00 19.45 19.57 1xnt n ALA 76 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1xnt s GLY 77 N -0.25 2.33 -0.03 0.00 0.00 -1.26 -4.97 107.32 103.14 1xnt s GLY 77 Ca 0.00 -3.35 -0.03 0.00 0.00 0.00 0.00 44.72 41.34 1xnt s GLY 77 CO 0.00 1.44 0.24 -1.33 0.00 0.00 0.00 173.10 173.45 1xnt h GLY 78 N 5.50 -0.11 -2.90 0.20 0.00 -1.79 -3.47 103.07 100.50 1xnt h GLY 78 Ca 0.18 0.04 -0.41 0.00 0.00 0.00 0.00 47.33 47.14 1xnt h GLY 78 CO 0.60 -0.04 -0.52 0.00 0.00 0.00 0.00 176.54 176.57 1xnt n ALA 79 N -2.32 -0.61 0.00 3.60 0.00 -1.26 -4.72 120.51 115.21 1xnt n ALA 79 Ca -0.01 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1xnt n ALA 79 Cb 0.04 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.32 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 -0.97 2.66 1.86 0.00 0.00 -1.26 -4.93 105.19 102.55 1xnt n GLY 80 Ca -0.24 -1.75 -0.20 0.00 0.00 0.00 0.00 46.02 43.83 1xnt n GLY 80 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1xnt n GLU 81 N -1.95 2.41 0.00 1.61 0.28 -1.26 -4.37 120.64 117.36 1xnt n GLU 81 Ca 0.00 -3.32 0.00 0.00 -0.16 0.00 0.00 57.16 53.68 1xnt n GLU 81 Cb 0.00 -2.10 0.00 0.00 1.43 0.00 0.00 31.44 30.77 1xnt n GLU 81 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1xnt n GLN 82 N -1.02 -0.34 -1.52 3.44 6.02 -1.26 -4.72 117.38 117.98 1xnt n GLN 82 Ca 0.49 -0.39 -0.36 0.00 -0.01 0.00 0.00 57.00 56.72 1xnt n GLN 82 Cb 1.10 -0.89 0.07 0.00 1.02 0.00 0.00 30.24 31.54 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 -0.06 7.65 -3.48 1.08 -0.08 -1.26 -4.95 116.55 115.44 1xnt n ASP 83 Ca 0.00 -3.81 -0.12 0.00 -1.51 0.00 0.00 54.79 49.35 1xnt n ASP 83 Cb 0.03 -1.00 0.01 0.00 2.34 0.00 0.00 41.12 42.50 1xnt n ASP 83 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 1xnt n TYR 84 N -0.80 -1.59 -4.70 -0.67 4.02 -1.26 -4.87 117.16 107.30 1xnt n TYR 84 Ca 0.60 -1.16 -0.30 0.00 -0.01 0.00 0.00 57.90 57.02 1xnt n TYR 84 Cb 0.53 -0.25 -0.17 0.00 -0.02 0.00 0.00 39.34 39.43 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 -3.23 2.62 -0.87 -0.72 0.41 0.70 -4.89 118.70 112.72 1xnt s GLU 85 Ca 0.21 -0.71 -0.26 0.00 -0.41 0.00 0.00 54.97 53.80 1xnt s GLU 85 Cb -0.02 -2.12 -0.17 0.00 -1.78 0.00 0.00 34.13 30.05 1xnt s GLU 85 CO 0.14 0.01 2.34 0.08 -0.49 0.00 0.00 175.26 177.34 1xnt s VAL 86 N 0.77 3.00 0.08 2.63 1.01 -1.26 -1.01 120.40 125.63 1xnt s VAL 86 Ca -0.10 -0.00 -0.26 0.00 0.00 0.00 0.00 61.98 61.62 1xnt s VAL 86 Cb -0.16 -3.27 -0.16 0.00 0.00 0.00 0.00 36.38 32.79 1xnt s VAL 86 CO 0.01 -0.01 1.70 0.25 0.00 0.00 0.00 175.10 177.05 1xnt h LEU 87 N 22.67 -0.21 -7.25 3.92 5.85 -1.82 -3.41 115.31 135.07 1xnt h LEU 87 Ca 0.00 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.50 1xnt h LEU 87 Cb 1.00 0.05 -0.32 0.00 0.37 0.00 0.00 40.66 41.76 1xnt h LEU 87 CO 1.00 -0.14 -0.53 -1.48 -0.34 0.00 0.00 178.44 176.95 1xnt s LEU 88 N -10.14 -0.09 0.00 2.25 2.34 -0.70 -1.33 118.68 111.01 1xnt s LEU 88 Ca -0.14 0.55 -0.13 0.00 0.06 0.00 0.00 54.13 54.46 1xnt s LEU 88 Cb 0.05 0.66 0.21 0.00 -0.56 0.00 0.00 46.19 46.56 1xnt s LEU 88 CO 0.65 -0.22 0.47 1.33 -1.06 0.00 0.00 176.35 177.52 1xnt n VAL 89 N 5.05 0.00 -2.00 1.48 0.24 -1.26 -1.53 118.33 120.31 1xnt n VAL 89 Ca -0.11 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.78 1xnt n VAL 89 Cb 0.51 -0.53 -0.02 0.00 -1.47 0.00 0.00 33.84 32.32 1xnt n VAL 89 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1xnt s THR 90 N -1.69 2.60 -0.22 3.34 -1.32 -1.26 -4.19 115.64 112.90 1xnt s THR 90 Ca 0.36 0.51 -0.07 0.00 -1.21 0.00 0.00 61.69 61.29 1xnt s THR 90 Cb -0.06 -3.33 -0.03 0.00 -1.51 0.00 0.00 72.50 67.57 1xnt s THR 90 CO 0.30 0.09 0.06 -0.94 -2.21 0.00 0.00 174.62 171.92 1xnt s SER 91 N 0.27 5.23 -0.47 8.08 1.04 0.16 -4.69 113.70 123.33 1xnt s SER 91 Ca 0.58 -0.13 -0.25 0.00 0.48 0.00 0.00 55.95 56.63 1xnt s SER 91 Cb -0.42 -1.92 0.03 0.00 0.10 0.00 0.00 66.02 63.80 1xnt s SER 91 CO 0.45 0.04 0.92 -0.94 0.98 0.00 0.00 173.24 174.69 1xnt s SER 92 N 1.19 6.49 -0.21 7.02 1.04 -1.24 -1.17 113.70 126.82 1xnt s SER 92 Ca 0.04 0.09 -0.10 0.00 0.48 0.00 0.00 55.95 56.46 1xnt s SER 92 Cb -0.14 -2.45 -0.10 0.00 0.10 0.00 0.00 66.02 63.43 1xnt s SER 92 CO 0.03 -1.06 -0.27 0.49 0.98 0.00 0.00 173.24 173.42 1xnt n PHE 93 N 7.17 0.00 -4.64 5.02 3.72 0.82 -4.99 117.46 124.57 1xnt n PHE 93 Ca 0.06 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.17 1xnt n PHE 93 Cb 0.48 -0.77 -0.10 0.00 -0.94 0.00 0.00 39.48 38.16 1xnt n PHE 93 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 1xnt s MET 94 N -2.39 1.99 0.57 -1.08 -1.94 -1.26 -5.05 119.30 110.15 1xnt s MET 94 Ca -0.30 -2.18 0.08 0.00 -1.71 0.00 0.00 55.69 51.59 1xnt s MET 94 Cb 0.11 -1.49 0.07 0.00 2.01 0.00 0.00 34.83 35.53 1xnt s MET 94 CO 0.38 -0.17 0.63 -1.54 -0.01 0.00 0.00 175.02 174.32 1xnt s SER 95 N -3.73 4.85 -0.05 3.03 1.04 -1.26 -4.55 113.70 113.03 1xnt s SER 95 Ca 0.26 -1.07 0.06 0.00 0.48 0.00 0.00 55.95 55.68 1xnt s SER 95 Cb 0.07 0.44 0.26 0.00 0.10 0.00 0.00 66.02 66.89 1xnt s SER 95 CO 0.13 -1.29 1.01 -0.81 0.98 0.00 0.00 173.24 173.27 1xnt n PRO 96 N -2.06 2.05 0.00 4.02 -0.04 -1.26 -3.69 135.00 134.03 1xnt n PRO 96 Ca 0.08 -1.00 0.00 0.00 -0.04 0.00 0.00 63.50 62.54 1xnt n PRO 96 Cb 0.63 -1.56 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 1xnt n PRO 96 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1xnt n SER 97 N 0.22 0.10 0.08 3.54 2.88 -1.26 -4.66 113.62 114.53 1xnt n SER 97 Ca 0.09 0.01 0.09 0.00 -1.33 0.00 0.00 58.87 57.74 1xnt n SER 97 Cb 0.44 -0.03 0.41 0.00 -0.75 0.00 0.00 64.21 64.28 1xnt n SER 97 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1xnt n GLU 98 N -3.04 0.11 0.28 -1.46 0.28 -1.26 -2.63 120.64 112.92 1xnt n GLU 98 Ca 0.00 0.40 0.17 0.00 -0.16 0.00 0.00 57.16 57.57 1xnt n GLU 98 Cb 0.45 -1.74 0.94 0.00 1.43 0.00 0.00 31.44 32.52 1xnt n GLU 98 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1xnt h SER 99 N 0.00 0.00 0.00 -1.84 0.87 -1.74 -2.02 113.55 108.82 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 0.26 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 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 -3.68 0.00 -2.10 2.24 1.74 -1.08 -4.35 116.66 109.43 1xnt n ARG 100 Ca -0.02 0.14 -0.03 0.00 -0.77 0.00 0.00 57.85 57.18 1xnt n ARG 100 Cb 0.16 -0.55 0.07 0.00 -1.02 0.00 0.00 32.46 31.12 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 -1.91 -1.14 0.14 0.55 2.88 -1.24 -4.49 113.62 108.41 1xnt n SER 101 Ca 0.00 -1.95 0.08 0.00 -1.33 0.00 0.00 58.87 55.67 1xnt n SER 101 Cb 0.00 0.50 0.05 0.00 -0.75 0.00 0.00 64.21 64.01 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 0.63 0.00 0.00 0.46 0.00 -1.67 -3.46 103.07 99.04 1xnt h GLY 102 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.92 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 -2.95 0.00 -3.08 0.19 7.64 -1.26 -4.90 113.62 109.25 1xnt n SER 103 Ca 0.00 0.00 0.03 0.00 1.01 0.00 0.00 58.87 59.92 1xnt n SER 103 Cb 0.62 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.82 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 0.00 -0.96 0.25 6.43 4.22 -1.24 -5.02 114.94 118.61 1xnt s ASN 104 Ca 0.00 -0.13 0.14 0.00 -2.14 0.00 0.00 52.86 50.72 1xnt s ASN 104 Cb 0.00 1.44 0.01 0.00 1.28 0.00 0.00 41.25 43.98 1xnt s ASN 104 CO 0.00 -0.15 1.40 1.55 -2.04 0.00 0.00 177.10 177.86 1xnt h PRO 105 N 7.01 0.00 -4.38 3.55 0.13 -1.56 -3.38 132.00 133.38 1xnt h PRO 105 Ca -0.03 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.54 1xnt h PRO 105 Cb 1.19 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 31.96 1xnt h PRO 105 CO 0.02 0.59 -0.81 -0.80 -0.23 0.00 0.00 178.00 176.76 1xnt s ASN 106 N -6.49 2.45 0.29 1.44 0.02 -1.26 -2.08 114.94 109.30 1xnt s ASN 106 Ca 0.03 -0.42 -0.05 0.00 -1.02 0.00 0.00 52.86 51.41 1xnt s ASN 106 Cb 0.08 -0.98 -0.01 0.00 0.02 0.00 0.00 41.25 40.36 1xnt s ASN 106 CO 0.76 -0.10 0.40 -0.60 0.02 0.00 0.00 177.10 177.57 1xnt s ARG 107 N 1.62 1.66 0.19 -0.60 3.52 -1.09 -4.99 118.95 119.26 1xnt s ARG 107 Ca 0.04 -1.60 0.01 0.00 -0.13 0.00 0.00 55.73 54.05 1xnt s ARG 107 Cb -0.13 0.41 -0.05 0.00 -1.56 0.00 0.00 34.95 33.62 1xnt s ARG 107 CO -0.09 -0.66 0.05 0.14 -0.81 0.00 0.00 175.30 173.93 1xnt s VAL 108 N -3.57 0.50 0.03 7.11 -7.23 -1.26 -0.95 120.40 115.02 1xnt s VAL 108 Ca 0.30 -1.98 -0.21 0.00 -1.81 0.00 0.00 61.98 58.29 1xnt s VAL 108 Cb 0.01 -2.30 0.04 0.00 0.56 0.00 0.00 36.38 34.70 1xnt s VAL 108 CO 0.16 -0.29 0.47 -0.60 -0.31 0.00 0.00 175.10 174.53 1xnt s ARG 109 N -3.99 0.96 0.17 4.82 6.06 -0.44 -4.84 118.95 121.69 1xnt s ARG 109 Ca 0.29 -0.24 0.08 0.00 -2.50 0.00 0.00 55.73 53.36 1xnt s ARG 109 Cb 0.07 0.43 -0.04 0.00 0.06 0.00 0.00 34.95 35.47 1xnt s ARG 109 CO 0.07 -0.33 -0.16 -1.64 -2.50 0.00 0.00 175.30 170.74 1xnt s MET 110 N -2.24 1.25 0.38 5.12 -1.94 -1.26 -1.52 119.30 119.08 1xnt s MET 110 Ca -0.07 -1.45 0.08 0.00 -1.71 0.00 0.00 55.69 52.55 1xnt s MET 110 Cb -0.01 -1.17 -0.07 0.00 2.01 0.00 0.00 34.83 35.59 1xnt s MET 110 CO -0.00 0.22 0.01 -0.06 -0.01 0.00 0.00 175.02 175.18 1xnt s PHE 111 N -2.43 2.51 0.00 -0.03 0.40 0.16 -4.96 117.98 113.63 1xnt s PHE 111 Ca 0.17 -0.56 0.00 0.00 -0.60 0.00 0.00 56.93 55.94 1xnt s PHE 111 Cb -0.04 -1.64 0.00 0.00 0.51 0.00 0.00 43.02 41.86 1xnt s PHE 111 CO 0.06 0.45 0.00 0.41 0.70 0.00 0.00 175.22 176.84 1xnt n GLY 112 N -0.96 5.42 0.21 4.36 0.00 -1.26 -1.25 105.19 111.71 1xnt n GLY 112 Ca -0.04 -1.21 -0.19 0.00 0.00 0.00 0.00 46.02 44.58 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 0.74 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 -0.21 -0.44 -0.23 0.00 0.00 178.00 178.42 1xnt h ASP 114 N 0.45 0.00 -0.18 1.44 5.19 -1.97 -1.69 116.42 119.66 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 0.21 0.00 0.29 -3.12 0.00 0.00 179.24 176.80 1xnt n LYS 115 N -3.98 1.89 -5.06 3.56 4.01 -1.21 -4.87 118.16 112.49 1xnt n LYS 115 Ca -0.02 -1.33 -0.28 0.00 -0.51 0.00 0.00 58.31 56.18 1xnt n LYS 115 Cb 0.29 -1.43 -0.16 0.00 -0.51 0.00 0.00 35.03 33.22 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 -1.62 2.04 0.22 -0.35 0.05 -0.64 -4.23 118.68 114.15 1xnt s LEU 116 Ca 0.34 -0.39 -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 43.10 1xnt s LEU 116 CO 0.28 0.26 1.70 0.54 -0.55 0.00 0.00 176.35 178.58 1xnt s VAL 117 N -0.49 2.06 0.18 1.48 0.11 -0.44 -4.84 120.40 118.46 1xnt s VAL 117 Ca 0.08 0.04 0.01 0.00 -2.93 0.00 0.00 61.98 59.18 1xnt s VAL 117 Cb -0.08 -3.03 -0.12 0.00 -1.53 0.00 0.00 36.38 31.62 1xnt s VAL 117 CO -0.01 0.00 1.42 0.03 -3.33 0.00 0.00 175.10 173.22 1xnt h ARG 118 N 6.57 0.29 0.00 1.54 3.08 -1.93 0.84 114.38 124.77 1xnt h ARG 118 Ca -0.43 -0.26 -0.00 0.00 0.07 0.00 0.00 59.98 59.35 1xnt h ARG 118 Cb 1.20 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 31.32 1xnt h ARG 118 CO 0.94 0.94 -0.02 0.00 -1.07 0.00 0.00 179.97 180.75 1xnt h ALA 119 N 0.98 1.08 0.00 0.04 0.00 -2.00 -3.10 119.26 116.26 1xnt h ALA 119 Ca -0.04 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1xnt h ALA 119 Cb 1.37 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 1xnt h ALA 119 CO 0.13 0.03 -1.26 0.00 0.00 0.00 0.00 179.25 178.15 1xnt n ALA 120 N -2.13 2.49 -0.33 0.00 0.00 -1.13 -4.61 120.51 114.79 1xnt n ALA 120 Ca -0.02 -0.18 0.22 0.00 0.00 0.00 0.00 53.44 53.46 1xnt n ALA 120 Cb 0.17 0.43 0.48 0.00 0.00 0.00 0.00 19.45 20.53 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 -0.12 2.13 -0.02 0.00 0.00 0.62 0.82 119.26 122.68 1xnt h ALA 121 Ca -0.11 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1xnt h ALA 121 Cb 1.12 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1xnt h ALA 121 CO -0.06 -0.56 0.00 -0.85 0.00 0.00 0.00 179.25 177.78 1xnt n GLU 122 N -4.70 1.14 -3.58 0.00 -0.00 -1.17 -0.81 120.64 111.51 1xnt n GLU 122 Ca 0.26 -0.21 -0.37 0.00 -0.00 0.00 0.00 57.16 56.84 1xnt n GLU 122 Cb 0.86 -1.36 -0.06 0.00 -0.00 0.00 0.00 31.44 30.88 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 -1.97 3.95 -0.23 3.44 1.02 0.28 -4.84 119.74 121.40 1xnt s LYS 123 Ca 0.33 0.20 -0.29 0.00 0.02 0.00 0.00 55.97 56.24 1xnt s LYS 123 Cb 0.16 -3.29 -0.03 0.00 -0.52 0.00 0.00 37.83 34.14 1xnt s LYS 123 CO 0.26 0.53 1.78 1.03 -0.92 0.00 0.00 175.35 178.03 1xnt s ARG 124 N -0.47 3.62 0.33 1.68 0.52 -1.26 -4.24 118.95 119.12 1xnt s ARG 124 Ca 0.20 1.73 0.10 0.00 -0.52 0.00 0.00 55.73 57.24 1xnt s ARG 124 Cb -0.14 -4.13 -0.06 0.00 0.52 0.00 0.00 34.95 31.14 1xnt s ARG 124 CO 0.08 -1.52 -0.05 -1.58 0.02 0.00 0.00 175.30 172.25 1xnt s TRP 125 N 5.99 2.48 0.00 -0.53 0.52 0.13 -4.70 118.94 122.83 1xnt s TRP 125 Ca 0.79 -0.42 0.00 0.00 0.02 0.00 0.00 56.10 56.49 1xnt s TRP 125 Cb -0.27 -1.36 0.00 0.00 -1.15 0.00 0.00 33.47 30.69 1xnt s TRP 125 CO 0.32 0.55 0.71 -0.40 0.02 0.00 0.00 176.95 178.16 1xnt n ASP 126 N -0.86 0.00 -3.86 2.95 5.68 -0.53 -0.86 116.55 119.08 1xnt n ASP 126 Ca -0.05 -1.46 -0.12 0.00 -0.50 0.00 0.00 54.79 52.66 1xnt n ASP 126 Cb 0.62 -0.09 -0.13 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 0.00 0.17 0.01 0.11 1.81 0.33 -0.75 118.95 120.63 1xnt s ARG 127 Ca 0.00 -0.04 0.02 0.00 -1.72 0.00 0.00 55.73 53.99 1xnt s ARG 127 Cb 0.00 0.07 -0.01 0.00 -0.45 0.00 0.00 34.95 34.56 1xnt s ARG 127 CO 0.00 -0.03 -0.05 0.54 -0.68 0.00 0.00 175.30 175.08 1xnt s VAL 128 N -0.32 0.39 -0.32 3.52 0.11 -0.39 -1.83 120.40 121.56 1xnt s VAL 128 Ca -0.04 -0.45 -0.05 0.00 -2.93 0.00 0.00 61.98 58.52 1xnt s VAL 128 Cb -0.03 -0.37 0.04 0.00 -1.53 0.00 0.00 36.38 34.49 1xnt s VAL 128 CO 0.00 -0.05 0.06 -0.75 -3.33 0.00 0.00 175.10 171.03 1xnt s LYS 129 N -0.55 2.58 -0.20 1.54 2.20 -0.51 -0.32 119.74 124.49 1xnt s LYS 129 Ca -0.02 -1.19 -0.09 0.00 -0.36 0.00 0.00 55.97 54.31 1xnt s LYS 129 Cb -0.04 -3.33 -0.05 0.00 -1.51 0.00 0.00 37.83 32.90 1xnt s LYS 129 CO -0.00 -0.63 0.10 0.42 -0.36 0.00 0.00 175.35 174.88 1xnt s ILE 130 N 1.35 5.10 -0.06 5.43 -1.09 -0.37 -1.14 121.20 130.43 1xnt s ILE 130 Ca -0.03 0.08 0.02 0.00 -2.23 0.00 0.00 60.65 58.49 1xnt s ILE 130 Cb -0.19 -3.32 0.02 0.00 -1.58 0.00 0.00 42.46 37.38 1xnt s ILE 130 CO 0.01 0.44 -0.09 -0.69 -1.23 0.00 0.00 174.94 173.38 1xnt s VAL 131 N 0.43 0.90 0.05 2.92 1.01 -0.00 0.59 120.40 126.30 1xnt s VAL 131 Ca 0.06 -0.34 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 1xnt s VAL 131 Cb -0.12 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 1xnt s VAL 131 CO -0.00 0.30 0.22 0.00 0.00 0.00 0.00 175.10 175.61 1xnt s SER 133 N -2.39 0.02 0.00 0.00 0.01 0.20 -1.62 113.70 109.92 1xnt s SER 133 Ca 0.34 0.76 0.00 0.00 1.31 0.00 0.00 55.95 58.36 1xnt s SER 133 Cb -0.13 1.10 0.00 0.00 0.21 0.00 0.00 66.02 67.20 1xnt s SER 133 CO 0.26 -0.24 0.00 1.67 0.41 0.00 0.00 173.24 175.34 1xnt n GLN 134 N 5.37 0.00 -2.37 12.44 0.00 -1.09 -1.16 117.38 130.57 1xnt n GLN 134 Ca -0.07 0.00 -0.39 0.00 -0.00 0.00 0.00 57.00 56.54 1xnt n GLN 134 Cb 0.50 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.70 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 0.00 3.05 -0.00 3.69 0.04 -1.17 -4.57 135.00 136.03 1xnt s PRO 135 Ca 0.00 -0.18 0.17 0.00 0.04 0.00 0.00 61.00 61.03 1xnt s PRO 135 Cb 0.00 -4.54 -0.20 0.00 0.04 0.00 0.00 34.50 29.80 1xnt s PRO 135 CO 0.00 -2.44 0.69 2.48 0.04 0.00 0.00 177.00 177.77 1xnt n TYR 136 N 10.64 0.00 -3.50 0.56 0.18 -1.25 -5.00 117.16 118.79 1xnt n TYR 136 Ca 0.17 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.95 1xnt n TYR 136 Cb 0.50 -0.06 0.00 0.00 -0.38 0.00 0.00 39.34 39.40 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 -1.51 0.00 0.00 9.48 2.88 -1.23 -5.01 113.62 118.23 1xnt n SER 137 Ca 0.02 -0.74 0.00 0.00 -1.33 0.00 0.00 58.87 56.83 1xnt n SER 137 Cb 0.30 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.76 1xnt n SER 137 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1xnt n LYS 138 N 0.00 0.00 -0.00 -1.46 4.81 -1.26 -4.23 118.16 116.02 1xnt n LYS 138 Ca 0.00 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.50 1xnt n LYS 138 Cb 0.00 -0.27 -0.08 0.00 0.02 0.00 0.00 35.03 34.70 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 -2.39 1.08 -4.85 3.14 5.68 -1.26 -1.58 116.55 116.37 1xnt n ASP 139 Ca 0.00 -0.53 -0.37 0.00 -0.50 0.00 0.00 54.79 53.39 1xnt n ASP 139 Cb 0.13 1.20 -0.06 0.00 -1.14 0.00 0.00 41.12 41.25 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 -2.62 6.42 0.78 -1.12 1.04 -1.26 -4.63 113.70 112.31 1xnt s SER 140 Ca 0.02 0.50 -0.05 0.00 0.48 0.00 0.00 55.95 56.90 1xnt s SER 140 Cb 0.09 -2.10 0.14 0.00 0.10 0.00 0.00 66.02 64.25 1xnt s SER 140 CO 0.52 0.36 0.88 -0.81 0.98 0.00 0.00 173.24 175.17 1xnt n PRO 141 N 2.20 -0.32 -3.27 4.02 -0.04 -1.26 -2.63 135.00 133.69 1xnt n PRO 141 Ca -0.19 -1.97 0.00 0.00 -0.04 0.00 0.00 63.50 61.31 1xnt n PRO 141 Cb 0.54 -0.71 0.00 0.00 -0.04 0.00 0.00 33.50 33.29 1xnt n PRO 141 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1xnt n PHE 142 N -2.85 0.00 0.00 0.54 3.72 -1.26 -4.90 117.46 112.70 1xnt n PHE 142 Ca 0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.53 1xnt n PHE 142 Cb 0.46 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.00 1xnt n PHE 142 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xnt n GLY 143 N 0.00 -0.53 3.49 1.37 0.00 -1.22 -1.32 105.19 106.98 1xnt n GLY 143 Ca 0.00 0.13 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 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 2.64 -0.15 0.99 1.02 -1.20 -1.32 118.68 120.65 1xnt s LEU 144 Ca 0.00 -1.11 0.19 0.00 0.02 0.00 0.00 54.13 53.23 1xnt s LEU 144 Cb 0.00 -1.00 -0.26 0.00 0.02 0.00 0.00 46.19 44.95 1xnt s LEU 144 CO 0.00 -0.10 0.21 -1.20 0.02 0.00 0.00 176.35 175.29 1xnt n SER 145 N -0.67 0.08 -3.62 2.29 7.64 -0.52 0.04 113.62 118.85 1xnt n SER 145 Ca -0.05 0.03 0.03 0.00 1.01 0.00 0.00 58.87 59.89 1xnt n SER 145 Cb 0.62 1.12 -0.00 0.00 -1.01 0.00 0.00 64.21 64.93 1xnt n SER 145 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1xnt s PHE 146 N -2.72 -0.01 -0.15 1.43 -0.71 -1.25 -4.55 117.98 110.01 1xnt s PHE 146 Ca -0.09 -0.03 -0.06 0.00 -1.04 0.00 0.00 56.93 55.70 1xnt s PHE 146 Cb 0.08 0.52 0.07 0.00 -1.21 0.00 0.00 43.02 42.48 1xnt s PHE 146 CO 0.84 -0.13 0.33 0.14 -1.34 0.00 0.00 175.22 175.07 1xnt s VAL 147 N -2.17 -0.33 -0.20 -2.49 -7.23 -1.26 -1.70 120.40 105.02 1xnt s VAL 147 Ca 0.17 0.19 -0.01 0.00 -1.81 0.00 0.00 61.98 60.52 1xnt s VAL 147 Cb 0.06 -0.52 0.06 0.00 0.56 0.00 0.00 36.38 36.54 1xnt s VAL 147 CO -0.05 0.08 -0.01 -0.13 -0.31 0.00 0.00 175.10 174.68 1xnt s ARG 148 N 2.05 1.15 0.45 4.82 0.52 0.17 -4.89 118.95 123.21 1xnt s ARG 148 Ca -0.04 -0.65 -0.02 0.00 -0.52 0.00 0.00 55.73 54.50 1xnt s ARG 148 Cb -0.11 -2.27 -0.02 0.00 0.52 0.00 0.00 34.95 33.07 1xnt s ARG 148 CO -0.10 -0.59 0.70 -0.06 0.02 0.00 0.00 175.30 175.27 1xnt s PHE 149 N 1.64 3.40 -0.24 -0.53 0.08 -1.04 0.11 117.98 121.40 1xnt s PHE 149 Ca -0.03 0.48 -0.19 0.00 0.12 0.00 0.00 56.93 57.32 1xnt s PHE 149 Cb -0.17 -2.25 0.07 0.00 -0.57 0.00 0.00 43.02 40.09 1xnt s PHE 149 CO -0.07 -0.26 0.62 -1.01 -0.10 0.00 0.00 175.22 174.39 1xnt s HIS 150 N -2.60 -0.77 -2.47 0.36 3.76 -0.22 -1.08 115.29 112.27 1xnt s HIS 150 Ca 0.46 1.75 0.28 0.00 -0.15 0.00 0.00 55.06 57.40 1xnt s HIS 150 Cb -0.10 0.34 1.09 0.00 1.11 0.00 0.00 32.58 35.02 1xnt s HIS 150 CO 0.40 -0.38 1.77 -1.13 -0.85 0.00 0.00 174.74 174.55