#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xnt n PRO 2 N 0.00 1.04 0.00 0.03 -0.04 -1.26 -5.03 135.00 129.74 1xnt n PRO 2 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1xnt n PRO 2 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1xnt n PRO 2 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1xnt n GLU 3 N -0.53 0.90 -4.57 0.54 1.02 -1.26 -4.24 120.64 112.51 1xnt n GLU 3 Ca 0.00 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.87 1xnt n GLU 3 Cb 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 31.44 31.25 1xnt n GLU 3 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1xnt s ILE 4 N -0.09 1.37 0.43 -3.67 1.01 0.49 -4.53 121.20 116.21 1xnt s ILE 4 Ca 0.00 -0.59 0.07 0.00 0.00 0.00 0.00 60.65 60.13 1xnt s ILE 4 Cb 0.00 -1.25 -0.04 0.00 0.01 0.00 0.00 42.46 41.18 1xnt s ILE 4 CO 0.00 0.41 0.23 -0.13 0.00 0.00 0.00 174.94 175.45 1xnt s ARG 5 N 0.81 2.28 0.29 2.79 0.52 -1.26 -2.99 118.95 121.39 1xnt s ARG 5 Ca -0.11 -1.83 0.06 0.00 -0.52 0.00 0.00 55.73 53.34 1xnt s ARG 5 Cb -0.16 -2.05 -0.02 0.00 0.52 0.00 0.00 34.95 33.25 1xnt s ARG 5 CO 0.02 -0.18 0.36 -0.51 0.02 0.00 0.00 175.30 175.01 1xnt s LEU 6 N -3.98 4.02 -0.02 2.53 1.02 -1.26 -2.56 118.68 118.43 1xnt s LEU 6 Ca 0.41 -0.15 -0.01 0.00 0.02 0.00 0.00 54.13 54.40 1xnt s LEU 6 Cb 0.02 -2.65 -0.01 0.00 0.02 0.00 0.00 46.19 43.57 1xnt s LEU 6 CO 0.23 -0.23 -0.03 -1.14 0.02 0.00 0.00 176.35 175.20 1xnt n ARG 7 N -1.45 0.05 -0.91 1.70 0.63 -0.98 -4.53 116.66 111.16 1xnt n ARG 7 Ca -0.05 0.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.90 1xnt n ARG 7 Cb 0.58 -0.69 0.00 0.00 0.45 0.00 0.00 32.46 32.80 1xnt n ARG 7 CO 0.00 0.00 0.00 -2.39 -2.51 0.00 0.00 177.63 172.73 1xnt n HIS 8 N -2.97 -0.84 -3.48 -0.14 1.44 -1.26 -4.99 115.22 102.98 1xnt n HIS 8 Ca -0.04 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.24 1xnt n HIS 8 Cb 0.53 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.58 1xnt n HIS 8 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1xnt s VAL 9 N -2.96 4.61 0.07 0.61 0.11 -1.26 -0.12 120.40 121.46 1xnt s VAL 9 Ca 0.00 -2.02 -0.33 0.00 -2.93 0.00 0.00 61.98 56.71 1xnt s VAL 9 Cb 0.00 -3.97 -0.16 0.00 -1.53 0.00 0.00 36.38 30.71 1xnt s VAL 9 CO 0.00 -0.86 1.50 1.62 -3.33 0.00 0.00 175.10 174.04 1xnt h VAL 10 N 5.72 0.00 -2.20 2.04 3.04 -1.61 -3.45 116.25 119.79 1xnt h VAL 10 Ca -0.14 0.00 -0.59 0.00 -1.01 0.00 0.00 66.70 64.96 1xnt h VAL 10 Cb 1.06 0.00 -0.14 0.00 -2.01 0.00 0.00 31.29 30.20 1xnt h VAL 10 CO 0.86 0.00 -0.71 -0.44 -1.01 0.00 0.00 177.57 176.27 1xnt s SER 11 N -4.03 3.46 -0.15 3.17 0.01 -0.25 -5.00 113.70 110.91 1xnt s SER 11 Ca -0.17 -1.13 -0.26 0.00 1.31 0.00 0.00 55.95 55.71 1xnt s SER 11 Cb 0.03 -0.29 0.06 0.00 0.21 0.00 0.00 66.02 66.04 1xnt s SER 11 CO 0.54 -0.14 0.65 0.00 0.41 0.00 0.00 173.24 174.70 1xnt n SER 13 N 1.84 -0.74 0.00 0.00 2.88 0.25 -4.92 113.62 112.94 1xnt n SER 13 Ca -0.17 -2.89 0.00 0.00 -1.33 0.00 0.00 58.87 54.48 1xnt n SER 13 Cb 0.56 0.58 0.00 0.00 -0.75 0.00 0.00 64.21 64.60 1xnt n SER 13 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1xnt n SER 14 N -0.11 0.00 -4.23 -3.46 3.41 -1.13 -2.10 113.62 105.99 1xnt n SER 14 Ca 0.06 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.45 1xnt n SER 14 Cb 0.78 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.60 1xnt n SER 14 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1xnt s GLN 15 N 0.00 1.06 0.00 4.33 -1.52 -1.26 -3.80 119.66 118.47 1xnt s GLN 15 Ca 0.00 -1.03 0.00 0.00 -1.95 0.00 0.00 55.36 52.38 1xnt s GLN 15 Cb 0.00 -1.21 0.00 0.00 -0.22 0.00 0.00 33.01 31.58 1xnt s GLN 15 CO 0.00 0.28 0.00 -3.47 -0.25 0.00 0.00 175.29 171.85 1xnt n ASP 16 N 1.33 0.00 -0.02 5.90 -0.08 -0.94 -3.07 116.55 119.67 1xnt n ASP 16 Ca -0.19 -0.54 -0.02 0.00 -1.51 0.00 0.00 54.79 52.53 1xnt n ASP 16 Cb 0.54 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.99 1xnt n ASP 16 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1xnt n SER 17 N -1.61 0.54 -0.03 1.67 7.64 -1.26 -3.88 113.62 116.70 1xnt n SER 17 Ca 0.00 0.09 0.01 0.00 1.01 0.00 0.00 58.87 59.98 1xnt n SER 17 Cb 0.00 -0.48 0.32 0.00 -1.01 0.00 0.00 64.21 63.04 1xnt n SER 17 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1xnt h THR 18 N -0.25 1.17 -2.54 0.44 1.35 -1.98 -3.25 112.91 107.85 1xnt h THR 18 Ca 0.00 -0.59 -0.60 0.00 -0.55 0.00 0.00 66.41 64.66 1xnt h THR 18 Cb 0.25 0.73 -0.41 0.00 -1.73 0.00 0.00 68.15 66.99 1xnt h THR 18 CO 0.00 0.22 -0.67 1.41 -0.25 0.00 0.00 175.52 176.23 1xnt n HIS 19 N -4.34 2.72 -2.50 4.73 8.25 -1.26 -5.03 115.22 117.78 1xnt n HIS 19 Ca 0.03 -4.09 -0.23 0.00 -0.26 0.00 0.00 57.72 53.17 1xnt n HIS 19 Cb 0.18 -0.49 0.07 0.00 1.12 0.00 0.00 29.99 30.86 1xnt n HIS 19 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xnt h ALA 21 N -0.29 1.52 0.00 0.00 0.00 -1.84 -1.39 119.26 117.25 1xnt h ALA 21 Ca -0.41 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 1xnt h ALA 21 Cb 1.29 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 1xnt h ALA 21 CO 0.51 0.06 -0.00 1.49 0.00 0.00 0.00 179.25 181.30 1xnt h GLU 22 N 0.00 0.00 0.00 0.00 4.81 -1.93 0.06 114.58 117.52 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 0.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1xnt h GLU 22 CO 0.01 0.00 0.00 -0.91 -0.73 0.00 0.00 179.01 177.38 1xnt h ASN 23 N 0.00 0.00 0.44 1.04 2.35 -1.49 -1.13 115.58 116.79 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 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 1xnt h ASN 23 CO 0.00 0.00 -0.15 -0.07 -1.65 0.00 0.00 177.43 175.56 1xnt h LEU 24 N 0.00 0.00 -2.88 1.61 3.38 -1.18 -1.06 115.31 115.19 1xnt h LEU 24 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xnt h LEU 24 Cb 0.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1xnt h LEU 24 CO 0.00 0.15 0.00 -0.07 0.09 0.00 0.00 178.44 178.61 1xnt h LEU 25 N 0.00 0.00 -5.93 1.67 -0.00 -1.38 -2.89 115.31 106.78 1xnt h LEU 25 Ca -0.00 0.00 -0.62 0.00 -0.00 0.00 0.00 57.88 57.26 1xnt h LEU 25 Cb 0.41 0.00 -0.40 0.00 -0.00 0.00 0.00 40.66 40.67 1xnt h LEU 25 CO 0.02 0.00 -0.44 0.29 -0.00 0.00 0.00 178.44 178.31 1xnt n LYS 26 N -3.24 3.05 0.26 1.13 4.01 -0.40 -4.87 118.16 118.10 1xnt n LYS 26 Ca -0.03 -4.74 0.18 0.00 -0.51 0.00 0.00 58.31 53.21 1xnt n LYS 26 Cb 0.08 -2.28 0.88 0.00 -0.51 0.00 0.00 35.03 33.20 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 3.85 1.55 -2.82 7.82 0.00 -1.67 -3.14 119.26 124.85 1xnt h ALA 27 Ca 0.19 -0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.47 1xnt h ALA 27 Cb 0.59 0.01 -0.41 0.00 0.00 0.00 0.00 17.79 17.97 1xnt h ALA 27 CO 0.88 -0.31 -0.51 -0.25 0.00 0.00 0.00 179.25 179.06 1xnt n ASP 28 N -3.35 3.38 0.00 0.00 9.92 -1.26 -4.88 116.55 120.36 1xnt n ASP 28 Ca 0.00 -3.27 0.00 0.00 -0.53 0.00 0.00 54.79 50.99 1xnt n ASP 28 Cb 0.34 -0.77 0.00 0.00 -0.64 0.00 0.00 41.12 40.05 1xnt n ASP 28 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1xnt n THR 29 N 1.69 0.00 -2.15 -3.53 -2.24 -1.19 -5.07 114.28 101.79 1xnt n THR 29 Ca 0.23 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 62.00 1xnt n THR 29 Cb 0.37 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 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 -0.44 -0.12 -3.44 4.78 4.11 -1.26 -5.16 117.16 115.63 1xnt n TYR 30 Ca 0.00 -0.11 -0.13 0.00 -0.00 0.00 0.00 57.90 57.66 1xnt n TYR 30 Cb 0.00 0.50 -0.03 0.00 -0.00 0.00 0.00 39.34 39.81 1xnt n TYR 30 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.86 177.36 1xnt s ARG 31 N 0.01 1.22 0.00 -3.48 3.52 -1.26 -5.18 118.95 113.78 1xnt s ARG 31 Ca 0.00 -0.34 0.00 0.00 -0.13 0.00 0.00 55.73 55.26 1xnt s ARG 31 Cb 0.02 0.57 0.00 0.00 -1.56 0.00 0.00 34.95 33.98 1xnt s ARG 31 CO -0.01 -0.51 0.00 0.36 -0.81 0.00 0.00 175.30 174.33 1xnt n LYS 32 N -0.16 0.00 -3.20 5.12 2.85 -1.26 -4.70 118.16 116.80 1xnt n LYS 32 Ca -0.17 0.00 -0.39 0.00 -1.05 0.00 0.00 58.31 56.70 1xnt n LYS 32 Cb 0.64 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.96 1xnt n LYS 32 CO 0.00 0.00 0.00 -0.46 -0.05 0.00 0.00 177.40 176.89 1xnt s TRP 33 N -2.12 3.76 -0.07 5.58 -0.00 0.22 -4.45 118.94 121.86 1xnt s TRP 33 Ca 0.00 1.28 -0.03 0.00 -0.00 0.00 0.00 56.10 57.36 1xnt s TRP 33 Cb 0.00 -2.59 0.04 0.00 -0.00 0.00 0.00 33.47 30.92 1xnt s TRP 33 CO 0.00 0.46 0.13 1.03 -0.00 0.00 0.00 176.95 178.57 1xnt s ARG 34 N -0.64 0.01 0.92 5.86 0.52 -1.16 -3.00 118.95 121.45 1xnt s ARG 34 Ca 0.31 0.48 -0.15 0.00 -0.52 0.00 0.00 55.73 55.86 1xnt s ARG 34 Cb -0.19 -0.31 -0.03 0.00 0.52 0.00 0.00 34.95 34.93 1xnt s ARG 34 CO 0.19 -0.29 0.06 0.00 0.02 0.00 0.00 175.30 175.28 1xnt n ALA 35 N 5.13 -3.29 -0.25 2.13 0.00 -0.50 -2.20 120.51 121.52 1xnt n ALA 35 Ca -0.08 -0.56 -0.06 0.00 0.00 0.00 0.00 53.44 52.74 1xnt n ALA 35 Cb 0.50 -1.61 0.05 0.00 0.00 0.00 0.00 19.45 18.39 1xnt n ALA 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xnt h ALA 36 N -1.18 0.91 -4.00 0.00 0.00 -1.64 -3.33 119.26 110.02 1xnt h ALA 36 Ca -0.44 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.23 1xnt h ALA 36 Cb 1.30 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1xnt h ALA 36 CO 0.32 0.48 -0.07 1.17 0.00 0.00 0.00 179.25 181.15 1xnt n LYS 37 N -4.43 1.51 -0.41 0.00 4.81 -1.26 -4.71 118.16 113.68 1xnt n LYS 37 Ca 0.06 -0.53 0.00 0.00 -0.87 0.00 0.00 58.31 56.97 1xnt n LYS 37 Cb 0.14 0.19 0.00 0.00 0.02 0.00 0.00 35.03 35.37 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 -2.75 0.00 -3.31 3.14 0.00 -1.26 -4.32 120.51 112.01 1xnt n ALA 38 Ca -0.03 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.24 1xnt n ALA 38 Cb 0.09 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.62 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 -0.28 3.48 0.00 0.00 -1.21 -4.76 105.19 107.42 1xnt n GLY 39 Ca 0.00 0.06 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 1xnt n GLY 39 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xnt n GLU 40 N -3.95 0.25 -0.11 1.61 4.71 -1.26 -4.64 120.64 117.25 1xnt n GLU 40 Ca -0.14 -0.67 -0.23 0.00 -0.01 0.00 0.00 57.16 56.11 1xnt n GLU 40 Cb 0.61 -2.66 -0.11 0.00 -1.01 0.00 0.00 31.44 28.26 1xnt n GLU 40 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1xnt n LYS 41 N 7.23 0.57 -3.65 3.49 4.81 -1.26 -2.75 118.16 126.59 1xnt n LYS 41 Ca 0.46 0.53 -0.05 0.00 -0.87 0.00 0.00 58.31 58.38 1xnt n LYS 41 Cb 0.37 -1.71 -0.06 0.00 0.02 0.00 0.00 35.03 33.64 1xnt n LYS 41 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1xnt s THR 42 N -2.38 -0.48 -0.03 3.15 -4.23 -1.26 -1.23 115.64 109.17 1xnt s THR 42 Ca -0.30 0.02 0.04 0.00 -1.18 0.00 0.00 61.69 60.27 1xnt s THR 42 Cb 0.07 -0.94 -0.00 0.00 1.34 0.00 0.00 72.50 72.97 1xnt s THR 42 CO 0.57 0.01 -0.14 0.27 -0.54 0.00 0.00 174.62 174.79 1xnt s ILE 43 N 2.24 1.19 -0.04 2.99 -4.36 -0.56 -4.99 121.20 117.67 1xnt s ILE 43 Ca -0.08 -0.59 0.06 0.00 -0.26 0.00 0.00 60.65 59.78 1xnt s ILE 43 Cb -0.09 -1.02 -0.02 0.00 1.25 0.00 0.00 42.46 42.58 1xnt s ILE 43 CO -0.18 0.35 -0.23 -0.44 0.24 0.00 0.00 174.94 174.67 1xnt s SER 44 N 0.01 3.29 -0.18 4.36 0.01 -0.89 -0.26 113.70 120.03 1xnt s SER 44 Ca -0.02 -0.42 -0.04 0.00 1.31 0.00 0.00 55.95 56.78 1xnt s SER 44 Cb -0.10 -0.61 0.08 0.00 0.21 0.00 0.00 66.02 65.61 1xnt s SER 44 CO 0.01 0.30 0.21 0.54 0.41 0.00 0.00 173.24 174.71 1xnt s VAL 45 N -0.49 -0.31 -0.28 3.43 0.11 0.17 0.87 120.40 123.90 1xnt s VAL 45 Ca 0.06 -0.05 -0.14 0.00 -2.93 0.00 0.00 61.98 58.92 1xnt s VAL 45 Cb -0.11 -0.62 -0.04 0.00 -1.53 0.00 0.00 36.38 34.08 1xnt s VAL 45 CO 0.01 -0.16 0.32 -0.69 -3.33 0.00 0.00 175.10 171.25 1xnt s VAL 46 N 2.32 5.21 0.25 2.04 1.01 0.79 -0.70 120.40 131.33 1xnt s VAL 46 Ca 0.06 0.43 0.05 0.00 0.00 0.00 0.00 61.98 62.53 1xnt s VAL 46 Cb -0.15 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 1xnt s VAL 46 CO -0.11 0.17 0.35 -0.76 0.00 0.00 0.00 175.10 174.75 1xnt s LEU 47 N 1.98 4.20 0.06 3.92 1.02 0.74 -1.09 118.68 129.52 1xnt s LEU 47 Ca 0.13 -0.01 -0.03 0.00 0.02 0.00 0.00 54.13 54.23 1xnt s LEU 47 Cb -0.16 -2.77 -0.05 0.00 0.02 0.00 0.00 46.19 43.24 1xnt s LEU 47 CO 0.10 -0.11 0.26 -1.58 0.02 0.00 0.00 176.35 175.05 1xnt s GLN 48 N -3.98 3.52 -0.25 1.70 2.00 0.83 -1.44 119.66 122.03 1xnt s GLN 48 Ca 0.35 -0.26 -0.11 0.00 -2.00 0.00 0.00 55.36 53.35 1xnt s GLN 48 Cb -0.09 -3.00 -0.05 0.00 0.80 0.00 0.00 33.01 30.67 1xnt s GLN 48 CO 0.29 0.59 0.19 -0.51 -0.50 0.00 0.00 175.29 175.34 1xnt s LEU 49 N -2.33 4.09 0.00 3.68 1.43 -0.31 -2.32 118.68 122.92 1xnt s LEU 49 Ca 0.34 0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.55 1xnt s LEU 49 Cb -0.13 -2.14 0.00 0.00 0.03 0.00 0.00 46.19 43.95 1xnt s LEU 49 CO 0.23 0.03 0.70 1.21 0.23 0.00 0.00 176.35 178.75 1xnt n GLU 50 N 4.49 0.00 -3.63 1.70 2.13 -1.06 -4.48 120.64 119.79 1xnt n GLU 50 Ca -0.14 0.24 -0.11 0.00 0.66 0.00 0.00 57.16 57.81 1xnt n GLU 50 Cb 0.52 -1.64 -0.07 0.00 0.27 0.00 0.00 31.44 30.52 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 -2.40 0.65 -0.32 5.31 -2.85 -1.26 -5.01 119.74 113.86 1xnt s LYS 51 Ca 0.00 0.81 -0.29 0.00 -1.00 0.00 0.00 55.97 55.49 1xnt s LYS 51 Cb 0.00 0.30 -0.00 0.00 -2.06 0.00 0.00 37.83 36.07 1xnt s LYS 51 CO 0.00 -0.08 1.38 -2.00 0.10 0.00 0.00 175.35 174.75 1xnt s GLU 52 N 0.42 3.80 0.36 1.78 2.12 -1.26 -4.72 118.70 121.20 1xnt s GLU 52 Ca 0.01 1.22 -0.01 0.00 0.36 0.00 0.00 54.97 56.55 1xnt s GLU 52 Cb -0.05 -3.94 0.00 0.00 0.26 0.00 0.00 34.13 30.40 1xnt s GLU 52 CO -0.04 -1.28 0.48 -1.83 -0.54 0.00 0.00 175.26 172.05 1xnt s GLU 53 N 4.46 1.97 0.72 4.30 4.04 -0.07 -4.75 118.70 129.38 1xnt s GLU 53 Ca 0.60 -1.84 -0.08 0.00 0.04 0.00 0.00 54.97 53.69 1xnt s GLU 53 Cb -0.17 0.44 0.16 0.00 0.02 0.00 0.00 34.13 34.58 1xnt s GLU 53 CO 0.27 -0.82 0.98 1.04 -1.84 0.00 0.00 175.26 174.89 1xnt n GLN 54 N -0.60 -0.62 -3.65 -4.83 6.02 -1.26 -0.03 117.38 112.40 1xnt n GLN 54 Ca 0.02 -1.92 -0.23 0.00 -0.01 0.00 0.00 57.00 54.86 1xnt n GLN 54 Cb 0.61 -0.89 -0.17 0.00 1.02 0.00 0.00 30.24 30.81 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 -3.02 -0.04 -0.15 5.09 1.09 0.80 -4.51 121.20 120.46 1xnt s ILE 55 Ca 0.59 0.11 0.12 0.00 -1.10 0.00 0.00 60.65 60.37 1xnt s ILE 55 Cb -0.02 -0.40 -0.18 0.00 -1.06 0.00 0.00 42.46 40.80 1xnt s ILE 55 CO 0.40 -0.03 0.03 1.57 -0.10 0.00 0.00 174.94 176.82 1xnt n HIS 56 N 5.27 0.00 -3.97 3.97 -0.00 -1.08 -4.54 115.22 114.87 1xnt n HIS 56 Ca -0.05 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.04 1xnt n HIS 56 Cb 0.49 -0.74 -0.08 0.00 -0.12 0.00 0.00 29.99 29.54 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 -4.92 0.24 0.07 0.26 0.01 -0.57 -1.52 113.70 107.26 1xnt s SER 57 Ca -0.09 -0.83 -0.07 0.00 1.31 0.00 0.00 55.95 56.27 1xnt s SER 57 Cb 0.05 0.30 -0.01 0.00 0.21 0.00 0.00 66.02 66.57 1xnt s SER 57 CO 0.60 -0.71 0.14 -0.69 0.41 0.00 0.00 173.24 172.99 1xnt s VAL 58 N -3.91 0.15 -0.01 3.43 1.01 -0.51 -1.36 120.40 119.20 1xnt s VAL 58 Ca 0.09 -1.26 0.03 0.00 0.00 0.00 0.00 61.98 60.83 1xnt s VAL 58 Cb 0.06 -1.29 -0.00 0.00 0.00 0.00 0.00 36.38 35.14 1xnt s VAL 58 CO -0.08 -0.70 -0.10 -0.62 0.00 0.00 0.00 175.10 173.60 1xnt s ASP 59 N -2.73 1.22 -0.20 3.32 -1.08 0.24 0.23 116.67 117.67 1xnt s ASP 59 Ca 0.03 -0.19 -0.11 0.00 -0.52 0.00 0.00 52.55 51.76 1xnt s ASP 59 Cb 0.04 -0.20 0.06 0.00 -1.46 0.00 0.00 42.92 41.37 1xnt s ASP 59 CO -0.10 0.11 0.49 -0.63 0.52 0.00 0.00 175.17 175.56 1xnt s ILE 60 N -0.10 -0.02 -0.20 4.11 1.09 -0.13 0.07 121.20 126.03 1xnt s ILE 60 Ca 0.02 0.06 -0.14 0.00 -1.10 0.00 0.00 60.65 59.50 1xnt s ILE 60 Cb -0.05 -0.72 -0.04 0.00 -1.06 0.00 0.00 42.46 40.58 1xnt s ILE 60 CO -0.00 0.03 0.29 -0.83 -0.10 0.00 0.00 174.94 174.32 1xnt s GLY 61 N 1.42 2.10 -0.42 6.18 0.00 -0.54 -0.87 107.32 115.19 1xnt s GLY 61 Ca -0.09 -0.60 -0.26 0.00 0.00 0.00 0.00 44.72 43.76 1xnt s GLY 61 CO -0.14 0.54 0.96 0.54 0.00 0.00 0.00 173.10 175.00 1xnt s ASN 62 N 0.82 6.61 -1.02 1.64 2.20 0.12 -0.71 114.94 124.60 1xnt s ASN 62 Ca 0.15 0.39 -0.03 0.00 -0.94 0.00 0.00 52.86 52.42 1xnt s ASN 62 Cb -0.14 -2.47 0.20 0.00 -2.00 0.00 0.00 41.25 36.85 1xnt s ASN 62 CO 0.05 -0.99 2.23 -0.67 -2.94 0.00 0.00 177.10 174.78 1xnt n ASP 63 N 7.07 7.50 0.00 3.54 -0.08 -0.31 -1.02 116.55 133.26 1xnt n ASP 63 Ca 0.07 -3.42 0.00 0.00 -1.51 0.00 0.00 54.79 49.93 1xnt n ASP 63 Cb 0.48 -1.24 0.00 0.00 2.34 0.00 0.00 41.12 42.70 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 0.71 2.82 3.42 0.27 0.00 -0.63 -3.86 105.19 107.92 1xnt n GLY 64 Ca 0.54 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.24 1xnt n GLY 64 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xnt n SER 65 N 0.00 -1.86 0.06 1.61 3.41 -1.25 -4.54 113.62 111.05 1xnt n SER 65 Ca 0.00 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 1xnt n SER 65 Cb 0.00 -1.20 0.00 0.00 -0.26 0.00 0.00 64.21 62.75 1xnt n SER 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xnt n ALA 66 N -3.84 3.00 -2.79 7.33 0.00 -1.26 -3.84 120.51 119.10 1xnt n ALA 66 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.15 1xnt n ALA 66 Cb 0.55 0.23 -0.08 0.00 0.00 0.00 0.00 19.45 20.15 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 3.39 -0.19 0.00 0.08 -0.33 -0.03 117.98 118.90 1xnt s PHE 67 Ca 0.00 0.29 -0.02 0.00 0.12 0.00 0.00 56.93 57.32 1xnt s PHE 67 Cb 0.00 -2.05 0.05 0.00 -0.57 0.00 0.00 43.02 40.45 1xnt s PHE 67 CO 0.00 0.37 0.01 0.08 -0.10 0.00 0.00 175.22 175.58 1xnt s VAL 68 N -0.07 0.75 -0.06 -0.44 1.01 -0.04 0.29 120.40 121.84 1xnt s VAL 68 Ca 0.09 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.43 1xnt s VAL 68 Cb -0.12 -1.15 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 1xnt s VAL 68 CO 0.00 -0.11 0.02 -0.70 0.00 0.00 0.00 175.10 174.32 1xnt s GLU 69 N 1.76 3.00 -0.08 2.72 2.12 -0.49 0.26 118.70 127.99 1xnt s GLU 69 Ca -0.01 -0.43 0.00 0.00 0.36 0.00 0.00 54.97 54.89 1xnt s GLU 69 Cb -0.17 -2.81 0.02 0.00 0.26 0.00 0.00 34.13 31.43 1xnt s GLU 69 CO -0.07 0.69 -0.07 0.08 -0.54 0.00 0.00 175.26 175.34 1xnt s VAL 70 N -0.98 0.87 0.30 3.70 1.01 -0.62 -0.93 120.40 123.75 1xnt s VAL 70 Ca 0.16 -0.25 0.08 0.00 0.00 0.00 0.00 61.98 61.97 1xnt s VAL 70 Cb -0.12 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 1xnt s VAL 70 CO 0.06 0.32 0.15 -0.76 0.00 0.00 0.00 175.10 174.87 1xnt s LEU 71 N 1.32 3.46 0.18 3.92 1.02 -0.31 -1.71 118.68 126.56 1xnt s LEU 71 Ca -0.03 -0.55 0.10 0.00 0.02 0.00 0.00 54.13 53.67 1xnt s LEU 71 Cb -0.14 -1.99 -0.04 0.00 0.02 0.00 0.00 46.19 44.04 1xnt s LEU 71 CO -0.03 -0.17 -0.21 0.68 0.02 0.00 0.00 176.35 176.64 1xnt s VAL 72 N -2.30 2.07 -0.08 -1.59 -7.23 -0.09 -1.39 120.40 109.78 1xnt s VAL 72 Ca 0.36 -1.98 -0.32 0.00 -1.81 0.00 0.00 61.98 58.22 1xnt s VAL 72 Cb -0.06 -1.98 0.12 0.00 0.56 0.00 0.00 36.38 35.03 1xnt s VAL 72 CO 0.23 -0.23 1.12 -0.83 -0.31 0.00 0.00 175.10 175.08 1xnt s GLY 73 N -2.70 -0.35 0.33 2.32 0.00 -0.46 -0.62 107.32 105.84 1xnt s GLY 73 Ca 0.18 1.16 0.09 0.00 0.00 0.00 0.00 44.72 46.16 1xnt s GLY 73 CO 0.08 0.36 -0.03 -0.45 0.00 0.00 0.00 173.10 173.07 1xnt s SER 74 N -2.47 4.08 0.00 1.64 0.15 -1.26 0.26 113.70 116.10 1xnt s SER 74 Ca 0.09 -1.00 0.27 0.00 0.70 0.00 0.00 55.95 56.02 1xnt s SER 74 Cb 0.00 -0.51 1.57 0.00 -1.71 0.00 0.00 66.02 65.38 1xnt s SER 74 CO -0.05 -0.18 1.96 -0.24 1.20 0.00 0.00 173.24 175.93 1xnt n SER 75 N -0.89 0.00 0.09 5.45 2.88 -1.26 -3.77 113.62 116.12 1xnt n SER 75 Ca -0.05 -0.71 0.21 0.00 -1.33 0.00 0.00 58.87 56.99 1xnt n SER 75 Cb 0.62 -0.05 0.72 0.00 -0.75 0.00 0.00 64.21 64.75 1xnt n SER 75 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xnt h ALA 76 N 3.62 2.13 0.00 -1.46 0.00 -2.00 0.78 119.26 122.32 1xnt h ALA 76 Ca 0.00 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.64 1xnt h ALA 76 Cb 0.05 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1xnt h ALA 76 CO 0.00 -0.73 -2.07 0.41 0.00 0.00 0.00 179.25 176.86 1xnt n GLY 77 N -1.49 -1.03 2.54 0.00 0.00 -1.25 -4.96 105.19 99.00 1xnt n GLY 77 Ca 0.08 -0.30 -0.20 0.00 0.00 0.00 0.00 46.02 45.61 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 1.58 1.55 0.00 -0.02 0.00 0.27 -4.62 105.19 103.94 1xnt n GLY 78 Ca -0.22 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 0.88 0.00 -0.50 4.61 0.00 -1.26 -5.07 120.51 119.16 1xnt n ALA 79 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1xnt n ALA 79 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.10 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 0.00 -1.68 5.20 0.00 0.00 -1.26 -4.78 105.19 102.67 1xnt n GLY 80 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1xnt n GLY 80 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xnt n GLU 81 N -1.25 0.00 -1.18 1.61 1.02 -1.26 -2.56 120.64 117.02 1xnt n GLU 81 Ca 0.00 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.94 1xnt n GLU 81 Cb 0.00 0.00 0.21 0.00 -0.02 0.00 0.00 31.44 31.63 1xnt n GLU 81 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xnt n GLN 82 N 0.00 2.60 -1.97 3.49 10.64 -1.26 -4.32 117.38 126.56 1xnt n GLN 82 Ca 0.00 -3.03 -0.11 0.00 -1.83 0.00 0.00 57.00 52.02 1xnt n GLN 82 Cb 0.00 -2.19 0.06 0.00 -0.86 0.00 0.00 30.24 27.25 1xnt n GLN 82 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1xnt n ASP 83 N -0.91 3.28 -2.70 2.61 -0.08 -1.06 -5.05 116.55 112.64 1xnt n ASP 83 Ca 0.55 -3.20 -0.05 0.00 -1.51 0.00 0.00 54.79 50.58 1xnt n ASP 83 Cb 1.61 -0.40 0.01 0.00 2.34 0.00 0.00 41.12 44.68 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 -0.65 -2.51 -4.64 -0.67 4.02 -1.26 -4.93 117.16 106.51 1xnt n TYR 84 Ca 0.28 -0.52 -0.24 0.00 -0.01 0.00 0.00 57.90 57.42 1xnt n TYR 84 Cb 0.90 -0.13 -0.16 0.00 -0.02 0.00 0.00 39.34 39.93 1xnt n TYR 84 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 1xnt s GLU 85 N -2.61 1.45 -0.86 -0.72 2.56 0.21 -4.90 118.70 113.84 1xnt s GLU 85 Ca 0.13 -0.47 -0.26 0.00 0.00 0.00 0.00 54.97 54.37 1xnt s GLU 85 Cb -0.01 -1.28 -0.14 0.00 2.00 0.00 0.00 34.13 34.70 1xnt s GLU 85 CO 0.08 0.18 2.30 0.08 -0.56 0.00 0.00 175.26 177.34 1xnt s VAL 86 N 0.15 3.08 0.06 3.70 1.01 -1.26 -0.92 120.40 126.22 1xnt s VAL 86 Ca -0.04 -0.08 -0.30 0.00 0.00 0.00 0.00 61.98 61.56 1xnt s VAL 86 Cb -0.11 -3.32 -0.18 0.00 0.00 0.00 0.00 36.38 32.78 1xnt s VAL 86 CO 0.02 -0.17 1.53 0.25 0.00 0.00 0.00 175.10 176.72 1xnt h LEU 87 N 21.83 -0.59 -7.33 3.92 5.85 -1.82 -3.42 115.31 133.74 1xnt h LEU 87 Ca 0.02 -0.02 -0.42 0.00 0.84 0.00 0.00 57.88 58.30 1xnt h LEU 87 Cb 1.00 0.15 -0.39 0.00 0.37 0.00 0.00 40.66 41.79 1xnt h LEU 87 CO 1.04 -0.36 -0.75 -1.48 -0.34 0.00 0.00 178.44 176.54 1xnt s LEU 88 N -9.93 0.45 1.12 2.25 0.05 -0.69 -1.12 118.68 110.81 1xnt s LEU 88 Ca -0.16 -0.18 -0.16 0.00 0.05 0.00 0.00 54.13 53.68 1xnt s LEU 88 Cb 0.03 -0.32 0.22 0.00 -2.05 0.00 0.00 46.19 44.07 1xnt s LEU 88 CO 0.60 -0.25 0.45 1.33 -0.55 0.00 0.00 176.35 177.93 1xnt n VAL 89 N 5.21 0.00 -1.97 1.48 0.24 -1.26 -1.59 118.33 120.44 1xnt n VAL 89 Ca -0.06 -0.05 -0.42 0.00 -2.04 0.00 0.00 64.34 61.77 1xnt n VAL 89 Cb 0.50 -0.61 -0.02 0.00 -1.47 0.00 0.00 33.84 32.23 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 -2.10 2.60 -0.19 3.34 -1.32 -1.26 -4.27 115.64 112.44 1xnt s THR 90 Ca 0.44 0.48 -0.05 0.00 -1.21 0.00 0.00 61.69 61.35 1xnt s THR 90 Cb -0.08 -3.31 -0.03 0.00 -1.51 0.00 0.00 72.50 67.57 1xnt s THR 90 CO 0.40 0.07 0.01 -0.94 -2.21 0.00 0.00 174.62 171.95 1xnt s SER 91 N 0.60 5.03 -0.29 8.08 1.04 0.14 -4.69 113.70 123.61 1xnt s SER 91 Ca 0.63 -0.12 -0.23 0.00 0.48 0.00 0.00 55.95 56.70 1xnt s SER 91 Cb -0.43 -1.86 -0.00 0.00 0.10 0.00 0.00 66.02 63.83 1xnt s SER 91 CO 0.40 0.10 0.79 -0.94 0.98 0.00 0.00 173.24 174.57 1xnt s SER 92 N 0.77 6.69 -0.10 7.02 1.04 -1.25 -0.86 113.70 127.01 1xnt s SER 92 Ca 0.01 0.74 -0.04 0.00 0.48 0.00 0.00 55.95 57.14 1xnt s SER 92 Cb -0.14 -2.41 -0.05 0.00 0.10 0.00 0.00 66.02 63.53 1xnt s SER 92 CO 0.02 -0.58 -0.12 0.49 0.98 0.00 0.00 173.24 174.03 1xnt n PHE 93 N 6.14 0.00 -4.48 5.02 3.72 0.95 -4.99 117.46 123.82 1xnt n PHE 93 Ca 0.04 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.23 1xnt n PHE 93 Cb 0.48 -0.36 -0.04 0.00 -0.94 0.00 0.00 39.48 38.62 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 -3.32 1.13 -3.71 -1.08 2.81 -1.25 -5.04 117.12 106.65 1xnt n MET 94 Ca -0.19 -2.44 -0.24 0.00 -1.81 0.00 0.00 57.70 53.02 1xnt n MET 94 Cb 0.65 0.72 -0.01 0.00 -0.71 0.00 0.00 33.22 33.87 1xnt n MET 94 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1xnt n SER 95 N -1.26 2.69 -0.92 7.83 3.41 -1.26 -4.57 113.62 119.54 1xnt n SER 95 Ca -0.13 -2.73 0.02 0.00 -0.26 0.00 0.00 58.87 55.78 1xnt n SER 95 Cb 0.42 0.03 0.13 0.00 -0.26 0.00 0.00 64.21 64.54 1xnt n SER 95 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1xnt n PRO 96 N -1.53 2.22 0.00 4.33 -0.04 -1.26 -3.98 135.00 134.73 1xnt n PRO 96 Ca -0.05 -1.01 0.00 0.00 -0.04 0.00 0.00 63.50 62.40 1xnt n PRO 96 Cb 0.56 -1.71 0.00 0.00 -0.04 0.00 0.00 33.50 32.30 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 0.20 3.46 0.29 3.54 2.88 -1.26 -4.66 113.62 118.08 1xnt n SER 97 Ca 0.09 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.78 1xnt n SER 97 Cb 0.53 0.00 0.89 0.00 -0.75 0.00 0.00 64.21 64.89 1xnt n SER 97 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1xnt h GLU 98 N 0.00 0.00 -1.02 -1.46 3.07 -1.82 -2.85 114.58 110.51 1xnt h GLU 98 Ca 0.00 0.00 0.29 0.00 -0.50 0.00 0.00 59.36 59.15 1xnt h GLU 98 Cb 0.99 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.86 1xnt h GLU 98 CO 0.00 0.02 0.92 0.66 -1.40 0.00 0.00 179.01 179.22 1xnt h SER 99 N 0.00 0.00 0.00 1.42 4.64 -1.80 -3.29 113.55 114.52 1xnt h SER 99 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xnt h SER 99 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1xnt h SER 99 CO 0.00 0.00 0.00 -2.11 -0.87 0.00 0.00 176.83 173.85 1xnt n ARG 100 N -3.71 0.00 -2.18 4.77 0.00 -1.08 -4.90 116.66 109.56 1xnt n ARG 100 Ca 0.22 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 58.04 1xnt n ARG 100 Cb 1.25 0.00 0.08 0.00 -0.00 0.00 0.00 32.46 33.79 1xnt n ARG 100 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1xnt n SER 101 N 0.00 -1.15 0.00 2.89 2.88 -1.24 -4.75 113.62 112.25 1xnt n SER 101 Ca 0.00 -1.95 -0.02 0.00 -1.33 0.00 0.00 58.87 55.57 1xnt n SER 101 Cb 0.00 0.51 -0.11 0.00 -0.75 0.00 0.00 64.21 63.87 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 -1.05 -1.13 3.18 0.46 0.00 -1.26 -4.93 105.19 100.46 1xnt n GLY 102 Ca -0.17 -0.16 0.04 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 -5.70 -0.13 -0.69 1.61 0.01 -1.26 -5.03 113.70 102.50 1xnt s SER 103 Ca -0.04 0.13 -0.14 0.00 1.31 0.00 0.00 55.95 57.21 1xnt s SER 103 Cb 0.09 1.13 0.02 0.00 0.21 0.00 0.00 66.02 67.47 1xnt s SER 103 CO 0.82 -0.02 0.63 -0.46 0.41 0.00 0.00 173.24 174.61 1xnt n ASN 104 N 4.98 -5.06 0.14 2.44 6.94 -1.26 -4.60 115.26 118.84 1xnt n ASN 104 Ca -0.08 -0.69 0.01 0.00 -0.02 0.00 0.00 54.58 53.80 1xnt n ASN 104 Cb 0.55 -1.64 0.17 0.00 -2.36 0.00 0.00 39.78 36.50 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 0.56 0.00 -4.39 -0.53 0.13 -1.86 -3.43 132.00 122.49 1xnt h PRO 105 Ca -0.62 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 63.99 1xnt h PRO 105 Cb 1.41 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 32.18 1xnt h PRO 105 CO 0.32 0.58 -0.81 -0.80 -0.23 0.00 0.00 178.00 177.06 1xnt s ASN 106 N -6.65 2.04 0.00 1.44 0.02 -1.26 -1.60 114.94 108.93 1xnt s ASN 106 Ca -0.00 -0.31 0.00 0.00 -1.02 0.00 0.00 52.86 51.53 1xnt s ASN 106 Cb 0.11 -0.86 -0.00 0.00 0.02 0.00 0.00 41.25 40.52 1xnt s ASN 106 CO 0.74 -0.05 0.00 0.54 0.02 0.00 0.00 177.10 178.36 1xnt n ARG 107 N 4.47 0.01 -4.23 -0.60 5.12 -0.19 -4.97 116.66 116.27 1xnt n ARG 107 Ca -0.17 -0.04 -0.13 0.00 -1.93 0.00 0.00 57.85 55.58 1xnt n ARG 107 Cb 0.51 0.04 -0.10 0.00 -1.16 0.00 0.00 32.46 31.74 1xnt n ARG 107 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1xnt s VAL 108 N -2.10 1.03 -0.24 1.55 1.01 -1.26 -0.70 120.40 119.69 1xnt s VAL 108 Ca 0.00 -2.02 -0.26 0.00 0.00 0.00 0.00 61.98 59.70 1xnt s VAL 108 Cb 0.00 -1.80 0.07 0.00 0.00 0.00 0.00 36.38 34.65 1xnt s VAL 108 CO 0.00 -0.78 0.72 -0.13 0.00 0.00 0.00 175.10 174.91 1xnt s ARG 109 N -3.77 0.86 0.17 2.72 3.00 -0.05 -4.76 118.95 117.12 1xnt s ARG 109 Ca 0.15 0.90 0.08 0.00 0.00 0.00 0.00 55.73 56.86 1xnt s ARG 109 Cb 0.03 0.42 -0.04 0.00 0.00 0.00 0.00 34.95 35.36 1xnt s ARG 109 CO -0.01 -0.13 -0.16 -1.64 0.00 0.00 0.00 175.30 173.36 1xnt s MET 110 N 0.19 1.25 0.45 3.54 -1.94 -1.26 -0.95 119.30 120.57 1xnt s MET 110 Ca -0.01 -1.44 0.07 0.00 -1.71 0.00 0.00 55.69 52.60 1xnt s MET 110 Cb -0.04 -1.19 -0.02 0.00 2.01 0.00 0.00 34.83 35.59 1xnt s MET 110 CO 0.02 0.23 0.29 -0.06 -0.01 0.00 0.00 175.02 175.49 1xnt s PHE 111 N -2.35 2.38 0.00 -0.03 0.40 0.14 -4.93 117.98 113.58 1xnt s PHE 111 Ca 0.17 -0.63 0.00 0.00 -0.60 0.00 0.00 56.93 55.87 1xnt s PHE 111 Cb -0.04 -2.01 0.00 0.00 0.51 0.00 0.00 43.02 41.48 1xnt s PHE 111 CO 0.06 -0.07 0.00 0.41 0.70 0.00 0.00 175.22 176.32 1xnt n GLY 112 N -1.46 5.20 0.18 4.36 0.00 -1.26 -1.42 105.19 110.79 1xnt n GLY 112 Ca -0.00 -1.08 -0.17 0.00 0.00 0.00 0.00 46.02 44.77 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 0.57 0.00 1.61 0.13 -1.62 -3.18 132.00 129.52 1xnt h PRO 113 Ca 0.00 -0.61 -0.04 0.00 -0.87 0.00 0.00 66.00 64.48 1xnt h PRO 113 Cb 0.00 0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.30 1xnt h PRO 113 CO 0.00 1.22 -0.17 0.22 -0.23 0.00 0.00 178.00 179.04 1xnt h ASP 114 N 0.33 0.00 -0.30 1.44 3.58 -1.97 -1.76 116.42 117.74 1xnt h ASP 114 Ca -0.10 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.35 1xnt h ASP 114 Cb 1.63 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.68 1xnt h ASP 114 CO 0.18 0.17 0.00 0.29 -2.88 0.00 0.00 179.24 177.00 1xnt n LYS 115 N -3.86 2.16 -4.72 0.28 5.02 -1.21 -4.90 118.16 110.92 1xnt n LYS 115 Ca -0.02 -1.75 -0.25 0.00 -2.02 0.00 0.00 58.31 54.28 1xnt n LYS 115 Cb 0.27 -1.45 -0.15 0.00 -0.02 0.00 0.00 35.03 33.68 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 -1.49 2.11 0.40 -0.35 0.05 -0.66 -4.04 118.68 114.70 1xnt s LEU 116 Ca 0.35 -0.44 -0.27 0.00 0.05 0.00 0.00 54.13 53.82 1xnt s LEU 116 Cb 0.20 -0.94 -0.10 0.00 -2.05 0.00 0.00 46.19 43.31 1xnt s LEU 116 CO 0.29 0.18 1.43 0.54 -0.55 0.00 0.00 176.35 178.23 1xnt s VAL 117 N -0.66 2.19 0.09 1.48 0.11 -0.27 -4.85 120.40 118.49 1xnt s VAL 117 Ca 0.07 0.19 0.04 0.00 -2.93 0.00 0.00 61.98 59.34 1xnt s VAL 117 Cb -0.08 -3.12 -0.24 0.00 -1.53 0.00 0.00 36.38 31.42 1xnt s VAL 117 CO 0.01 0.04 1.17 0.03 -3.33 0.00 0.00 175.10 173.01 1xnt h ARG 118 N 2.82 0.09 0.00 1.54 -0.00 -1.93 0.26 114.38 117.16 1xnt h ARG 118 Ca -0.50 -0.16 0.00 0.00 -0.50 0.00 0.00 59.98 58.82 1xnt h ARG 118 Cb 1.25 0.06 0.00 0.00 0.00 0.00 0.00 29.97 31.27 1xnt h ARG 118 CO 0.63 1.03 0.00 0.00 0.00 0.00 0.00 179.97 181.63 1xnt h ALA 119 N 0.85 1.00 0.00 0.04 0.00 -2.00 -3.21 119.26 115.94 1xnt h ALA 119 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1xnt h ALA 119 Cb 1.86 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.65 1xnt h ALA 119 CO 0.15 0.00 -0.99 0.00 0.00 0.00 0.00 179.25 178.41 1xnt n ALA 120 N -1.85 2.56 -0.34 0.00 0.00 -1.21 -4.59 120.51 115.09 1xnt n ALA 120 Ca 0.01 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.62 1xnt n ALA 120 Cb 0.20 0.49 0.38 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 0.00 1.76 -0.08 0.00 0.00 -0.59 0.87 119.26 121.21 1xnt h ALA 121 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1xnt h ALA 121 Cb 0.99 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1xnt h ALA 121 CO 0.00 -0.28 0.00 -0.85 0.00 0.00 0.00 179.25 178.12 1xnt n GLU 122 N -4.90 1.33 -3.66 0.00 0.28 -1.21 -0.14 120.64 112.33 1xnt n GLU 122 Ca 0.26 -0.49 -0.37 0.00 -0.16 0.00 0.00 57.16 56.41 1xnt n GLU 122 Cb 0.74 -1.31 -0.07 0.00 1.43 0.00 0.00 31.44 32.23 1xnt n GLU 122 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1xnt s LYS 123 N -1.90 3.90 -0.29 3.44 1.02 0.30 -4.84 119.74 121.37 1xnt s LYS 123 Ca 0.27 0.06 -0.29 0.00 0.02 0.00 0.00 55.97 56.04 1xnt s LYS 123 Cb 0.14 -3.30 -0.02 0.00 -0.52 0.00 0.00 37.83 34.13 1xnt s LYS 123 CO 0.22 0.53 1.77 1.03 -0.92 0.00 0.00 175.35 177.98 1xnt s ARG 124 N -0.41 3.46 0.34 1.68 0.52 -1.26 -4.24 118.95 119.05 1xnt s ARG 124 Ca 0.17 1.54 0.09 0.00 -0.52 0.00 0.00 55.73 57.00 1xnt s ARG 124 Cb -0.13 -4.16 -0.05 0.00 0.52 0.00 0.00 34.95 31.12 1xnt s ARG 124 CO 0.05 -1.70 0.03 -1.58 0.02 0.00 0.00 175.30 172.13 1xnt s TRP 125 N 6.45 2.57 -0.00 -0.53 0.52 0.95 -4.68 118.94 124.22 1xnt s TRP 125 Ca 0.79 -0.43 0.00 0.00 0.02 0.00 0.00 56.10 56.47 1xnt s TRP 125 Cb -0.24 -1.52 0.00 0.00 -1.15 0.00 0.00 33.47 30.56 1xnt s TRP 125 CO 0.33 0.45 0.73 -0.40 0.02 0.00 0.00 176.95 178.08 1xnt n ASP 126 N -0.99 0.01 -3.83 2.95 5.68 -0.59 -0.89 116.55 118.89 1xnt n ASP 126 Ca -0.04 -1.46 -0.12 0.00 -0.50 0.00 0.00 54.79 52.67 1xnt n ASP 126 Cb 0.62 -0.09 -0.14 0.00 -1.14 0.00 0.00 41.12 40.38 1xnt n ASP 126 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1xnt s ARG 127 N -0.01 0.08 -0.01 0.11 0.52 0.14 -1.17 118.95 118.61 1xnt s ARG 127 Ca 0.00 0.13 0.03 0.00 -0.52 0.00 0.00 55.73 55.37 1xnt s ARG 127 Cb 0.00 0.01 -0.01 0.00 0.52 0.00 0.00 34.95 35.47 1xnt s ARG 127 CO 0.00 -0.03 -0.12 0.54 0.02 0.00 0.00 175.30 175.71 1xnt s VAL 128 N 0.18 0.94 -0.36 3.52 0.11 -0.52 -1.35 120.40 122.92 1xnt s VAL 128 Ca -0.01 -0.49 -0.06 0.00 -2.93 0.00 0.00 61.98 58.49 1xnt s VAL 128 Cb -0.02 -0.80 0.06 0.00 -1.53 0.00 0.00 36.38 34.09 1xnt s VAL 128 CO -0.01 0.27 0.13 -0.75 -3.33 0.00 0.00 175.10 171.42 1xnt s LYS 129 N -0.17 2.50 -0.32 1.54 2.20 -0.49 -0.19 119.74 124.81 1xnt s LYS 129 Ca 0.03 -1.34 -0.14 0.00 -0.36 0.00 0.00 55.97 54.16 1xnt s LYS 129 Cb -0.06 -3.49 -0.03 0.00 -1.51 0.00 0.00 37.83 32.74 1xnt s LYS 129 CO -0.00 -0.77 0.29 0.42 -0.36 0.00 0.00 175.35 174.93 1xnt s ILE 130 N 1.34 5.24 -0.23 5.43 -1.09 0.13 -1.16 121.20 130.85 1xnt s ILE 130 Ca 0.00 0.07 0.01 0.00 -2.23 0.00 0.00 60.65 58.50 1xnt s ILE 130 Cb -0.21 -3.71 0.06 0.00 -1.58 0.00 0.00 42.46 37.02 1xnt s ILE 130 CO 0.01 0.04 -0.08 -0.69 -1.23 0.00 0.00 174.94 173.00 1xnt s VAL 131 N 1.88 1.70 0.29 2.92 1.01 -0.10 0.42 120.40 128.52 1xnt s VAL 131 Ca 0.09 -1.27 -0.18 0.00 0.00 0.00 0.00 61.98 60.62 1xnt s VAL 131 Cb -0.17 -1.89 -0.09 0.00 0.00 0.00 0.00 36.38 34.23 1xnt s VAL 131 CO 0.11 -0.03 0.76 0.00 0.00 0.00 0.00 175.10 175.94 1xnt s SER 133 N -1.96 -0.01 0.00 0.00 0.15 0.15 -1.50 113.70 110.53 1xnt s SER 133 Ca 0.50 0.16 0.00 0.00 0.70 0.00 0.00 55.95 57.31 1xnt s SER 133 Cb -0.13 0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.23 1xnt s SER 133 CO 0.19 -0.14 0.00 0.00 1.20 0.00 0.00 173.24 174.49 1xnt n GLN 134 N 4.21 0.00 -2.54 5.44 6.02 -0.37 -1.19 117.38 128.95 1xnt n GLN 134 Ca -0.27 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.31 1xnt n GLN 134 Cb 0.51 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.74 1xnt n GLN 134 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1xnt s PRO 135 N -1.93 3.56 -0.02 -1.09 0.04 -1.21 -4.19 135.00 130.17 1xnt s PRO 135 Ca 0.00 -1.13 0.06 0.00 0.04 0.00 0.00 61.00 59.97 1xnt s PRO 135 Cb 0.00 -5.36 -0.09 0.00 0.04 0.00 0.00 34.50 29.10 1xnt s PRO 135 CO 0.00 -2.26 0.10 2.48 0.04 0.00 0.00 177.00 177.36 1xnt n TYR 136 N 9.09 0.00 -3.18 0.56 0.18 -1.11 -4.90 117.16 117.79 1xnt n TYR 136 Ca 0.34 0.00 -0.07 0.00 1.88 0.00 0.00 57.90 60.05 1xnt n TYR 136 Cb 0.51 -0.17 0.02 0.00 -0.38 0.00 0.00 39.34 39.32 1xnt n TYR 136 CO 0.00 0.00 0.00 0.43 -2.08 0.00 0.00 176.86 175.21 1xnt n SER 137 N -1.82 0.93 0.00 9.48 7.64 -1.26 -4.88 113.62 123.71 1xnt n SER 137 Ca -0.03 -1.54 0.00 0.00 1.01 0.00 0.00 58.87 58.31 1xnt n SER 137 Cb 0.28 -0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 1xnt n SER 137 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1xnt n LYS 138 N -1.28 0.00 -0.03 1.43 4.81 -1.26 -4.06 118.16 117.76 1xnt n LYS 138 Ca 0.04 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.44 1xnt n LYS 138 Cb 0.20 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.21 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 -1.20 3.57 -4.76 3.14 5.68 -1.26 -3.31 116.55 118.41 1xnt n ASP 139 Ca 0.00 -0.02 -0.33 0.00 -0.50 0.00 0.00 54.79 53.94 1xnt n ASP 139 Cb 0.00 0.18 -0.07 0.00 -1.14 0.00 0.00 41.12 40.08 1xnt n ASP 139 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1xnt s SER 140 N -4.26 5.57 0.61 -1.12 1.04 -1.26 -4.59 113.70 109.70 1xnt s SER 140 Ca -0.06 0.12 -0.04 0.00 0.48 0.00 0.00 55.95 56.44 1xnt s SER 140 Cb 0.02 -1.57 0.03 0.00 0.10 0.00 0.00 66.02 64.60 1xnt s SER 140 CO 0.18 0.28 0.90 -2.16 0.98 0.00 0.00 173.24 173.41 1xnt s PRO 141 N -1.67 2.58 0.00 4.02 0.04 -1.26 -4.11 135.00 134.60 1xnt s PRO 141 Ca 0.22 -0.29 0.00 0.00 0.04 0.00 0.00 61.00 60.96 1xnt s PRO 141 Cb -0.12 -2.30 0.00 0.00 0.04 0.00 0.00 34.50 32.12 1xnt s PRO 141 CO 0.13 -0.87 0.00 1.19 0.04 0.00 0.00 177.00 177.49 1xnt n PHE 142 N -2.62 -0.03 0.00 0.56 3.72 -1.26 -4.85 117.46 112.98 1xnt n PHE 142 Ca 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 1xnt n PHE 142 Cb 0.59 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.13 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 -0.87 3.68 1.37 0.00 -1.22 -1.40 105.19 106.74 1xnt n GLY 143 Ca 0.00 0.41 -0.28 0.00 0.00 0.00 0.00 46.02 46.15 1xnt n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xnt s LEU 144 N 0.00 3.39 0.06 0.99 1.02 -1.16 -1.16 118.68 121.82 1xnt s LEU 144 Ca 0.00 -0.28 0.14 0.00 0.02 0.00 0.00 54.13 54.02 1xnt s LEU 144 Cb 0.00 -2.09 -0.15 0.00 0.02 0.00 0.00 46.19 43.96 1xnt s LEU 144 CO 0.00 0.13 0.89 0.28 0.02 0.00 0.00 176.35 177.68 1xnt h SER 145 N 3.09 0.00 -5.96 2.29 0.02 -1.20 0.66 113.55 112.46 1xnt h SER 145 Ca -0.48 0.00 0.40 0.00 -0.84 0.00 0.00 61.79 60.87 1xnt h SER 145 Cb 1.18 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.62 1xnt h SER 145 CO 0.59 0.76 0.99 0.72 -1.14 0.00 0.00 176.83 178.74 1xnt s PHE 146 N -2.80 0.00 -0.18 3.45 -0.71 -1.26 -4.42 117.98 112.07 1xnt s PHE 146 Ca -0.02 -0.03 -0.11 0.00 -1.04 0.00 0.00 56.93 55.73 1xnt s PHE 146 Cb 0.08 0.51 0.06 0.00 -1.21 0.00 0.00 43.02 42.46 1xnt s PHE 146 CO 0.81 -0.06 0.43 0.14 -1.34 0.00 0.00 175.22 175.20 1xnt s VAL 147 N -2.03 -0.02 -0.20 -2.49 -7.23 -1.26 -1.47 120.40 105.70 1xnt s VAL 147 Ca 0.26 0.07 -0.05 0.00 -1.81 0.00 0.00 61.98 60.46 1xnt s VAL 147 Cb 0.02 -0.64 0.07 0.00 0.56 0.00 0.00 36.38 36.40 1xnt s VAL 147 CO -0.04 0.03 0.12 -0.13 -0.31 0.00 0.00 175.10 174.78 1xnt s ARG 148 N 1.21 0.11 0.40 4.82 0.52 0.11 -4.91 118.95 121.22 1xnt s ARG 148 Ca -0.08 -0.12 -0.11 0.00 -0.52 0.00 0.00 55.73 54.91 1xnt s ARG 148 Cb -0.07 -1.58 -0.07 0.00 0.52 0.00 0.00 34.95 33.75 1xnt s ARG 148 CO -0.11 -0.74 0.77 -0.06 0.02 0.00 0.00 175.30 175.18 1xnt s PHE 149 N 2.17 3.46 -0.09 -0.53 0.08 -1.16 0.82 117.98 122.72 1xnt s PHE 149 Ca 0.04 1.07 -0.05 0.00 0.12 0.00 0.00 56.93 58.11 1xnt s PHE 149 Cb -0.16 -2.46 0.04 0.00 -0.57 0.00 0.00 43.02 39.87 1xnt s PHE 149 CO -0.15 -0.09 0.22 -3.38 -0.10 0.00 0.00 175.22 171.72 1xnt s HIS 150 N -2.33 -0.28 -2.05 0.36 -3.43 -0.47 -0.38 115.29 106.71 1xnt s HIS 150 Ca 0.52 0.69 0.32 0.00 -0.80 0.00 0.00 55.06 55.78 1xnt s HIS 150 Cb -0.10 0.03 1.83 0.00 -1.43 0.00 0.00 32.58 32.90 1xnt s HIS 150 CO 0.30 -0.20 2.18 0.45 -2.00 0.00 0.00 174.74 175.47