#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 2.78 -1.52 0.03 -0.04 -1.26 -4.91 135.00 130.08 1xnt n PRO 2 Ca 0.00 -1.52 -0.01 0.00 -0.04 0.00 0.00 63.50 61.93 1xnt n PRO 2 Cb 0.00 -1.85 -0.00 0.00 -0.04 0.00 0.00 33.50 31.61 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 0.25 0.08 -4.25 0.54 1.02 -1.26 -4.33 120.64 112.68 1xnt n GLU 3 Ca 0.15 -0.22 -0.27 0.00 -0.02 0.00 0.00 57.16 56.81 1xnt n GLU 3 Cb 0.75 0.23 -0.08 0.00 -0.02 0.00 0.00 31.44 32.32 1xnt n GLU 3 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1xnt s ILE 4 N -2.68 3.46 -0.07 -3.67 -1.09 -1.11 -4.16 121.20 111.88 1xnt s ILE 4 Ca 0.02 -1.53 -0.01 0.00 -2.23 0.00 0.00 60.65 56.90 1xnt s ILE 4 Cb -0.00 -2.73 0.03 0.00 -1.58 0.00 0.00 42.46 38.18 1xnt s ILE 4 CO 0.01 -0.11 -0.01 -0.60 -1.23 0.00 0.00 174.94 173.01 1xnt s ARG 5 N -2.88 0.70 0.40 2.79 6.06 -1.26 -4.76 118.95 120.00 1xnt s ARG 5 Ca 0.26 0.06 -0.17 0.00 -2.50 0.00 0.00 55.73 53.38 1xnt s ARG 5 Cb -0.09 -1.01 -0.10 0.00 0.06 0.00 0.00 34.95 33.81 1xnt s ARG 5 CO 0.17 -0.28 0.86 -0.51 -2.50 0.00 0.00 175.30 173.04 1xnt s LEU 6 N 1.87 3.94 -0.10 -0.88 1.02 -1.26 0.06 118.68 123.34 1xnt s LEU 6 Ca 0.04 1.48 -0.07 0.00 0.02 0.00 0.00 54.13 55.60 1xnt s LEU 6 Cb -0.12 -4.33 -0.05 0.00 0.02 0.00 0.00 46.19 41.71 1xnt s LEU 6 CO -0.05 -0.34 -0.16 -1.14 0.02 0.00 0.00 176.35 174.68 1xnt n ARG 7 N -0.71 0.26 -3.69 1.70 0.63 0.33 -4.55 116.66 110.64 1xnt n ARG 7 Ca 0.05 0.11 -0.09 0.00 -0.92 0.00 0.00 57.85 57.01 1xnt n ARG 7 Cb 0.54 -0.94 -0.02 0.00 0.45 0.00 0.00 32.46 32.48 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 -2.29 -0.31 -1.03 -0.14 -3.43 -1.23 -5.01 115.29 101.84 1xnt s HIS 8 Ca -0.16 -0.04 -0.23 0.00 -0.80 0.00 0.00 55.06 53.83 1xnt s HIS 8 Cb 0.05 0.65 0.05 0.00 -1.43 0.00 0.00 32.58 31.90 1xnt s HIS 8 CO 0.21 -1.06 1.48 0.54 -2.00 0.00 0.00 174.74 173.91 1xnt s VAL 9 N -3.79 3.91 0.14 -5.38 0.11 -1.26 0.36 120.40 114.49 1xnt s VAL 9 Ca 0.07 -0.79 -0.27 0.00 -2.93 0.00 0.00 61.98 58.07 1xnt s VAL 9 Cb -0.04 -5.03 -0.02 0.00 -1.53 0.00 0.00 36.38 29.76 1xnt s VAL 9 CO -0.01 -1.91 1.60 1.62 -3.33 0.00 0.00 175.10 173.07 1xnt h VAL 10 N 6.77 0.21 -3.55 2.04 3.04 -1.66 -3.43 116.25 119.68 1xnt h VAL 10 Ca 0.21 0.00 -0.61 0.00 -1.01 0.00 0.00 66.70 65.28 1xnt h VAL 10 Cb 1.01 0.21 -0.20 0.00 -2.01 0.00 0.00 31.29 30.30 1xnt h VAL 10 CO 1.42 0.00 -0.83 -0.44 -1.01 0.00 0.00 177.57 176.72 1xnt s SER 11 N -4.93 3.03 -0.09 3.17 0.01 -0.20 -5.00 113.70 109.70 1xnt s SER 11 Ca -0.15 -0.80 -0.04 0.00 1.31 0.00 0.00 55.95 56.27 1xnt s SER 11 Cb 0.10 -0.20 0.05 0.00 0.21 0.00 0.00 66.02 66.19 1xnt s SER 11 CO 0.65 0.09 0.18 0.00 0.41 0.00 0.00 173.24 174.57 1xnt n SER 13 N 5.13 5.05 0.00 0.00 2.88 0.22 -4.79 113.62 122.11 1xnt n SER 13 Ca -0.09 -3.74 0.00 0.00 -1.33 0.00 0.00 58.87 53.71 1xnt n SER 13 Cb 0.50 -0.46 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 1xnt n SER 13 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1xnt n SER 14 N -0.59 0.00 -3.93 -3.46 7.64 -1.15 -1.99 113.62 110.14 1xnt n SER 14 Ca 0.43 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 60.18 1xnt n SER 14 Cb 0.77 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.83 1xnt n SER 14 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1xnt s GLN 15 N 0.00 0.22 0.00 1.43 -0.44 -1.26 -3.83 119.66 115.78 1xnt s GLN 15 Ca 0.00 -0.21 0.00 0.00 -2.50 0.00 0.00 55.36 52.65 1xnt s GLN 15 Cb 0.00 -0.13 0.00 0.00 -1.64 0.00 0.00 33.01 31.24 1xnt s GLN 15 CO 0.00 0.03 0.00 -3.47 0.50 0.00 0.00 175.29 172.35 1xnt n ASP 16 N 2.68 0.00 -0.09 6.67 2.03 -0.96 -3.43 116.55 123.46 1xnt n ASP 16 Ca -0.15 -0.26 -0.12 0.00 0.52 0.00 0.00 54.79 54.78 1xnt n ASP 16 Cb 0.58 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.94 1xnt n ASP 16 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1xnt n SER 17 N -0.79 1.91 0.10 1.67 7.64 -1.26 -4.11 113.62 118.79 1xnt n SER 17 Ca 0.00 0.40 -0.04 0.00 1.01 0.00 0.00 58.87 60.23 1xnt n SER 17 Cb 0.00 -0.79 -0.02 0.00 -1.01 0.00 0.00 64.21 62.39 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 -1.00 0.00 -1.21 0.44 1.35 -1.99 -3.33 112.91 107.17 1xnt h THR 18 Ca -0.13 -0.22 -0.75 0.00 -0.55 0.00 0.00 66.41 64.76 1xnt h THR 18 Cb 1.02 0.00 -0.14 0.00 -1.73 0.00 0.00 68.15 67.30 1xnt h THR 18 CO -0.08 0.00 2.23 1.41 -0.25 0.00 0.00 175.52 178.83 1xnt n HIS 19 N -3.40 2.87 -2.26 4.73 8.25 -1.26 -4.91 115.22 119.24 1xnt n HIS 19 Ca -0.04 -2.81 -0.25 0.00 -0.26 0.00 0.00 57.72 54.36 1xnt n HIS 19 Cb 0.11 -1.97 0.08 0.00 1.12 0.00 0.00 29.99 29.33 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 -0.60 1.37 0.00 0.00 0.00 -1.84 -1.22 119.26 116.97 1xnt h ALA 21 Ca -0.43 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1xnt h ALA 21 Cb 1.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1xnt h ALA 21 CO 0.56 0.08 0.00 1.49 0.00 0.00 0.00 179.25 181.38 1xnt h GLU 22 N 0.00 0.00 0.00 0.00 4.81 -1.92 0.13 114.58 117.60 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 0.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1xnt h GLU 22 CO 0.01 0.00 0.00 -0.91 -0.73 0.00 0.00 179.01 177.38 1xnt h ASN 23 N 0.00 0.00 0.36 1.04 2.35 -1.48 -1.16 115.58 116.70 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 0.05 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.42 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 -2.53 1.61 3.38 -1.16 -0.75 115.31 115.86 1xnt h LEU 24 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1xnt h LEU 24 Cb 0.24 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 0.10 -0.07 0.09 0.00 0.00 178.44 178.70 1xnt h LEU 25 N 0.00 0.00 -6.00 1.67 -0.00 -1.39 -2.66 115.31 106.92 1xnt h LEU 25 Ca -0.00 0.00 -0.66 0.00 -0.00 0.00 0.00 57.88 57.22 1xnt h LEU 25 Cb 0.36 0.00 -0.38 0.00 -0.00 0.00 0.00 40.66 40.64 1xnt h LEU 25 CO 0.02 0.00 -0.18 0.29 -0.00 0.00 0.00 178.44 178.57 1xnt n LYS 26 N -3.43 3.47 0.12 1.13 4.01 -0.29 -4.86 118.16 118.32 1xnt n LYS 26 Ca -0.02 -4.72 0.20 0.00 -0.51 0.00 0.00 58.31 53.25 1xnt n LYS 26 Cb 0.19 -2.32 0.74 0.00 -0.51 0.00 0.00 35.03 33.12 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 3.96 2.01 -3.11 7.82 0.00 -1.63 -3.14 119.26 125.17 1xnt h ALA 27 Ca 0.22 -0.01 -0.63 0.00 0.00 0.00 0.00 54.91 54.49 1xnt h ALA 27 Cb 0.55 0.03 -0.42 0.00 0.00 0.00 0.00 17.79 17.95 1xnt h ALA 27 CO 0.95 -0.65 -0.56 -0.51 0.00 0.00 0.00 179.25 178.49 1xnt s ASP 28 N -5.04 4.82 0.00 0.00 1.01 -1.26 -4.89 116.67 111.31 1xnt s ASP 28 Ca -0.04 -3.74 0.00 0.00 0.71 0.00 0.00 52.55 49.48 1xnt s ASP 28 Cb 0.14 -1.65 0.00 0.00 1.01 0.00 0.00 42.92 42.42 1xnt s ASP 28 CO 0.49 -0.11 0.00 0.35 0.21 0.00 0.00 175.17 176.11 1xnt n THR 29 N 2.14 0.00 -1.92 -1.27 -2.24 -1.19 -5.07 114.28 104.73 1xnt n THR 29 Ca 0.18 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.95 1xnt n THR 29 Cb 0.35 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 -0.19 -0.09 -3.64 4.78 4.11 -1.26 -5.15 117.16 115.72 1xnt n TYR 30 Ca 0.00 -0.11 -0.15 0.00 -0.00 0.00 0.00 57.90 57.64 1xnt n TYR 30 Cb 0.00 0.43 -0.08 0.00 -0.00 0.00 0.00 39.34 39.69 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 0.80 0.00 -3.48 0.52 -1.26 -5.17 118.95 110.36 1xnt s ARG 31 Ca 0.00 0.68 0.00 0.00 -0.52 0.00 0.00 55.73 55.89 1xnt s ARG 31 Cb 0.02 0.38 0.00 0.00 0.52 0.00 0.00 34.95 35.87 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 2.28 2.66 -3.55 3.54 4.01 -1.26 -4.63 118.16 121.20 1xnt n LYS 32 Ca -0.15 0.00 -0.38 0.00 -0.51 0.00 0.00 58.31 57.27 1xnt n LYS 32 Cb 0.56 0.00 -0.06 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 0.40 3.70 -0.08 2.13 -0.00 -0.63 -4.47 118.94 119.98 1xnt s TRP 33 Ca 0.00 0.91 -0.04 0.00 -0.00 0.00 0.00 56.10 56.98 1xnt s TRP 33 Cb 0.00 -2.25 0.04 0.00 -0.00 0.00 0.00 33.47 31.26 1xnt s TRP 33 CO 0.00 0.63 0.18 1.03 -0.00 0.00 0.00 176.95 178.79 1xnt s ARG 34 N -0.96 0.12 0.81 5.86 0.52 -1.17 -3.13 118.95 121.00 1xnt s ARG 34 Ca 0.22 0.43 -0.15 0.00 -0.52 0.00 0.00 55.73 55.71 1xnt s ARG 34 Cb -0.16 -0.17 -0.02 0.00 0.52 0.00 0.00 34.95 35.13 1xnt s ARG 34 CO 0.12 -0.17 0.44 0.00 0.02 0.00 0.00 175.30 175.70 1xnt n ALA 35 N 4.29 -2.03 0.25 2.13 0.00 -0.11 -2.26 120.51 122.78 1xnt n ALA 35 Ca -0.25 -0.38 0.12 0.00 0.00 0.00 0.00 53.44 52.93 1xnt n ALA 35 Cb 0.52 -1.81 0.65 0.00 0.00 0.00 0.00 19.45 18.81 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 -0.80 1.16 -3.84 0.00 0.00 -1.66 -3.32 119.26 110.79 1xnt h ALA 36 Ca -0.45 -0.13 -0.20 0.00 0.00 0.00 0.00 54.91 54.13 1xnt h ALA 36 Cb 1.32 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.04 1xnt h ALA 36 CO 0.39 0.18 -0.18 0.36 0.00 0.00 0.00 179.25 180.00 1xnt n LYS 37 N -3.49 0.40 -0.29 0.00 2.85 -1.26 -4.71 118.16 111.65 1xnt n LYS 37 Ca -0.01 -1.30 0.00 0.00 -1.05 0.00 0.00 58.31 55.95 1xnt n LYS 37 Cb 0.31 0.93 0.00 0.00 -0.65 0.00 0.00 35.03 35.61 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 -2.17 0.00 -3.15 0.58 0.00 -1.26 -4.29 120.51 110.22 1xnt n ALA 38 Ca -0.05 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.24 1xnt n ALA 38 Cb 0.23 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.75 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 -0.14 3.48 0.00 0.00 -1.20 -4.78 105.19 107.55 1xnt n GLY 39 Ca 0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.49 0.23 -0.10 1.61 1.02 -1.26 -4.61 120.64 114.04 1xnt n GLU 40 Ca -0.12 -0.97 -0.19 0.00 -0.02 0.00 0.00 57.16 55.86 1xnt n GLU 40 Cb 0.59 -3.10 -0.09 0.00 -0.02 0.00 0.00 31.44 28.82 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 7.55 0.54 -3.65 3.49 4.81 -1.26 -2.92 118.16 126.72 1xnt n LYS 41 Ca 0.41 0.52 -0.03 0.00 -0.87 0.00 0.00 58.31 58.34 1xnt n LYS 41 Cb 0.42 -1.70 -0.05 0.00 0.02 0.00 0.00 35.03 33.72 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 -2.37 -0.78 0.15 3.15 -4.23 -1.26 -1.77 115.64 108.54 1xnt s THR 42 Ca -0.27 0.02 0.11 0.00 -1.18 0.00 0.00 61.69 60.37 1xnt s THR 42 Cb 0.06 -0.96 -0.04 0.00 1.34 0.00 0.00 72.50 72.90 1xnt s THR 42 CO 0.50 0.01 -0.26 0.27 -0.54 0.00 0.00 174.62 174.60 1xnt s ILE 43 N 2.63 2.27 0.08 2.99 -4.36 -0.46 -4.98 121.20 119.36 1xnt s ILE 43 Ca -0.06 -1.85 0.06 0.00 -0.26 0.00 0.00 60.65 58.54 1xnt s ILE 43 Cb -0.11 -2.03 -0.03 0.00 1.25 0.00 0.00 42.46 41.55 1xnt s ILE 43 CO -0.18 0.01 -0.16 -0.44 0.24 0.00 0.00 174.94 174.41 1xnt s SER 44 N -2.27 1.93 -0.27 4.36 0.01 -0.84 -0.49 113.70 116.13 1xnt s SER 44 Ca 0.16 -0.65 -0.01 0.00 1.31 0.00 0.00 55.95 56.76 1xnt s SER 44 Cb -0.09 -0.07 0.16 0.00 0.21 0.00 0.00 66.02 66.23 1xnt s SER 44 CO 0.07 -0.05 0.48 0.54 0.41 0.00 0.00 173.24 174.69 1xnt s VAL 45 N -1.31 -0.78 -0.29 3.43 0.11 0.19 0.72 120.40 122.48 1xnt s VAL 45 Ca 0.01 -0.07 -0.19 0.00 -2.93 0.00 0.00 61.98 58.80 1xnt s VAL 45 Cb -0.10 -0.92 -0.02 0.00 -1.53 0.00 0.00 36.38 33.82 1xnt s VAL 45 CO 0.03 -0.09 0.57 -0.69 -3.33 0.00 0.00 175.10 171.59 1xnt s VAL 46 N 2.68 5.00 0.21 2.04 1.01 0.11 -1.10 120.40 130.34 1xnt s VAL 46 Ca 0.15 0.84 -0.03 0.00 0.00 0.00 0.00 61.98 62.94 1xnt s VAL 46 Cb -0.14 -3.92 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 1xnt s VAL 46 CO -0.20 -0.04 0.43 -0.76 0.00 0.00 0.00 175.10 174.52 1xnt s LEU 47 N 2.46 4.20 -0.15 3.92 1.02 0.12 -1.03 118.68 129.21 1xnt s LEU 47 Ca 0.23 0.53 -0.06 0.00 0.02 0.00 0.00 54.13 54.86 1xnt s LEU 47 Cb -0.15 -3.30 -0.04 0.00 0.02 0.00 0.00 46.19 42.72 1xnt s LEU 47 CO 0.11 -0.06 0.05 -1.58 0.02 0.00 0.00 176.35 174.89 1xnt s GLN 48 N -3.19 3.62 -0.03 1.70 -0.44 0.16 -0.60 119.66 120.88 1xnt s GLN 48 Ca 0.41 -0.34 -0.19 0.00 -2.50 0.00 0.00 55.36 52.74 1xnt s GLN 48 Cb -0.11 -3.09 -0.05 0.00 -1.64 0.00 0.00 33.01 28.12 1xnt s GLN 48 CO 0.28 0.46 0.54 -0.51 0.50 0.00 0.00 175.29 176.56 1xnt s LEU 49 N -0.17 4.40 -0.04 3.68 1.43 0.28 -0.51 118.68 127.75 1xnt s LEU 49 Ca 0.07 1.06 -0.02 0.00 -1.03 0.00 0.00 54.13 54.21 1xnt s LEU 49 Cb -0.12 -2.82 -0.08 0.00 0.03 0.00 0.00 46.19 43.20 1xnt s LEU 49 CO 0.01 0.12 2.60 1.21 0.23 0.00 0.00 176.35 180.52 1xnt n GLU 50 N 2.76 1.46 0.00 1.70 2.13 0.11 -4.68 120.64 124.12 1xnt n GLU 50 Ca -0.08 -0.55 0.00 0.00 0.66 0.00 0.00 57.16 57.19 1xnt n GLU 50 Cb 0.51 -1.43 0.00 0.00 0.27 0.00 0.00 31.44 30.79 1xnt n GLU 50 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1xnt n LYS 51 N 1.74 0.00 -2.33 5.31 2.85 -1.26 -4.95 118.16 119.52 1xnt n LYS 51 Ca 0.19 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 57.03 1xnt n LYS 51 Cb 0.65 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 35.01 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 3.33 0.31 -1.58 2.12 -1.26 -4.63 118.70 116.99 1xnt s GLU 52 Ca 0.00 0.66 0.05 0.00 0.36 0.00 0.00 54.97 56.04 1xnt s GLU 52 Cb 0.00 -4.12 -0.02 0.00 0.26 0.00 0.00 34.13 30.25 1xnt s GLU 52 CO 0.00 -1.89 0.20 -0.85 -0.54 0.00 0.00 175.26 172.18 1xnt n GLU 53 N 8.53 0.46 -2.83 4.30 -0.00 0.34 -4.71 120.64 126.72 1xnt n GLU 53 Ca 0.15 -2.92 -0.21 0.00 -0.00 0.00 0.00 57.16 54.18 1xnt n GLU 53 Cb 0.49 2.07 0.06 0.00 -0.00 0.00 0.00 31.44 34.06 1xnt n GLU 53 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 1xnt s GLN 54 N -3.24 2.24 -0.13 3.44 -0.21 -1.26 0.58 119.66 121.08 1xnt s GLN 54 Ca 0.28 -1.28 0.00 0.00 0.02 0.00 0.00 55.36 54.38 1xnt s GLN 54 Cb 0.01 -2.55 0.02 0.00 1.00 0.00 0.00 33.01 31.50 1xnt s GLN 54 CO 0.20 -0.91 -0.11 0.42 -2.12 0.00 0.00 175.29 172.76 1xnt s ILE 55 N -2.77 1.33 -0.13 1.08 1.09 -0.02 -4.50 121.20 117.27 1xnt s ILE 55 Ca 0.61 -0.48 0.10 0.00 -1.10 0.00 0.00 60.65 59.78 1xnt s ILE 55 Cb -0.07 -1.28 -0.15 0.00 -1.06 0.00 0.00 42.46 39.90 1xnt s ILE 55 CO 0.39 0.42 0.02 1.57 -0.10 0.00 0.00 174.94 177.24 1xnt n HIS 56 N 4.81 0.00 -3.86 3.97 -0.00 -1.18 -4.53 115.22 114.43 1xnt n HIS 56 Ca -0.15 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 57.93 1xnt n HIS 56 Cb 0.50 -0.62 -0.08 0.00 -0.12 0.00 0.00 29.99 29.67 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 -4.67 0.07 0.06 0.26 0.01 -0.03 -0.64 113.70 108.75 1xnt s SER 57 Ca -0.08 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.76 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 0.49 -0.56 -0.05 -0.69 0.41 0.00 0.00 173.24 172.85 1xnt s VAL 58 N -2.65 0.37 -0.00 3.43 1.01 -0.48 -1.12 120.40 120.96 1xnt s VAL 58 Ca -0.04 -1.64 0.00 0.00 0.00 0.00 0.00 61.98 60.30 1xnt s VAL 58 Cb -0.01 -1.29 0.00 0.00 0.00 0.00 0.00 36.38 35.09 1xnt s VAL 58 CO -0.04 -0.83 -0.00 -1.81 0.00 0.00 0.00 175.10 172.41 1xnt s ASP 59 N -2.61 0.10 -0.26 3.32 1.11 -0.52 0.20 116.67 118.01 1xnt s ASP 59 Ca 0.03 -0.01 -0.20 0.00 0.18 0.00 0.00 52.55 52.56 1xnt s ASP 59 Cb 0.03 -0.03 0.07 0.00 1.07 0.00 0.00 42.92 44.06 1xnt s ASP 59 CO -0.06 -0.01 0.67 -0.63 1.18 0.00 0.00 175.17 176.32 1xnt s ILE 60 N 0.16 -0.00 -0.09 0.77 1.09 -0.44 0.12 121.20 122.81 1xnt s ILE 60 Ca -0.01 0.00 0.02 0.00 -1.10 0.00 0.00 60.65 59.57 1xnt s ILE 60 Cb -0.02 -0.95 -0.02 0.00 -1.06 0.00 0.00 42.46 40.40 1xnt s ILE 60 CO -0.00 0.00 -0.15 -0.83 -0.10 0.00 0.00 174.94 173.85 1xnt s GLY 61 N 0.94 1.50 0.13 6.18 0.00 -0.66 -0.59 107.32 114.82 1xnt s GLY 61 Ca -0.05 -0.95 0.07 0.00 0.00 0.00 0.00 44.72 43.80 1xnt s GLY 61 CO -0.08 -0.49 -0.08 -1.31 0.00 0.00 0.00 173.10 171.14 1xnt s ASN 62 N -0.16 4.48 0.00 1.64 0.02 -0.79 -0.62 114.94 119.51 1xnt s ASN 62 Ca -0.01 -0.40 0.00 0.00 -1.02 0.00 0.00 52.86 51.43 1xnt s ASN 62 Cb -0.13 -0.87 0.00 0.00 0.02 0.00 0.00 41.25 40.26 1xnt s ASN 62 CO 0.03 0.15 0.00 0.47 0.02 0.00 0.00 177.10 177.77 1xnt n ASP 63 N 0.44 0.00 -1.88 -1.22 9.92 -0.69 -1.93 116.55 121.20 1xnt n ASP 63 Ca -0.12 0.00 -0.07 0.00 -0.53 0.00 0.00 54.79 54.07 1xnt n ASP 63 Cb 0.53 0.00 0.26 0.00 -0.64 0.00 0.00 41.12 41.27 1xnt n ASP 63 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1xnt n GLY 64 N 4.21 3.45 1.71 0.44 0.00 -0.80 -3.57 105.19 110.64 1xnt n GLY 64 Ca 0.00 -0.87 -0.13 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.16 -0.36 0.14 1.61 7.64 -1.26 -4.66 113.62 116.57 1xnt n SER 65 Ca 0.37 -1.11 0.00 0.00 1.01 0.00 0.00 58.87 59.14 1xnt n SER 65 Cb 1.29 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 64.03 1xnt n SER 65 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xnt n ALA 66 N -3.51 1.92 -2.79 -0.43 0.00 -1.26 -4.03 120.51 110.41 1xnt n ALA 66 Ca -0.10 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 52.98 1xnt n ALA 66 Cb 0.26 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.65 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 3.52 -0.19 0.00 0.08 -0.23 0.37 117.98 119.53 1xnt s PHE 67 Ca 0.00 0.49 -0.05 0.00 0.12 0.00 0.00 56.93 57.49 1xnt s PHE 67 Cb 0.00 -2.08 0.07 0.00 -0.57 0.00 0.00 43.02 40.44 1xnt s PHE 67 CO 0.00 0.52 0.14 0.08 -0.10 0.00 0.00 175.22 175.85 1xnt s VAL 68 N -0.37 -0.17 -0.12 -0.44 1.01 -0.06 0.63 120.40 120.88 1xnt s VAL 68 Ca 0.13 -0.19 -0.07 0.00 0.00 0.00 0.00 61.98 61.85 1xnt s VAL 68 Cb -0.12 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.58 1xnt s VAL 68 CO 0.02 -0.29 0.15 -0.70 0.00 0.00 0.00 175.10 174.28 1xnt s GLU 69 N 2.20 3.51 -0.12 2.72 2.12 -0.28 0.18 118.70 129.03 1xnt s GLU 69 Ca 0.04 -0.12 0.02 0.00 0.36 0.00 0.00 54.97 55.27 1xnt s GLU 69 Cb -0.16 -3.21 0.02 0.00 0.26 0.00 0.00 34.13 31.04 1xnt s GLU 69 CO -0.12 0.74 -0.16 0.08 -0.54 0.00 0.00 175.26 175.26 1xnt s VAL 70 N -0.92 1.59 0.33 3.70 1.01 -0.62 -1.36 120.40 124.12 1xnt s VAL 70 Ca 0.15 -0.68 0.09 0.00 0.00 0.00 0.00 61.98 61.53 1xnt s VAL 70 Cb -0.12 -1.45 -0.05 0.00 0.00 0.00 0.00 36.38 34.76 1xnt s VAL 70 CO 0.04 0.46 0.07 -0.76 0.00 0.00 0.00 175.10 174.91 1xnt s LEU 71 N 1.06 3.16 0.19 3.92 1.02 -0.22 -1.71 118.68 126.10 1xnt s LEU 71 Ca -0.04 -0.82 0.06 0.00 0.02 0.00 0.00 54.13 53.35 1xnt s LEU 71 Cb -0.15 -1.61 -0.05 0.00 0.02 0.00 0.00 46.19 44.41 1xnt s LEU 71 CO -0.03 -0.22 -0.11 0.68 0.02 0.00 0.00 176.35 176.68 1xnt s VAL 72 N -2.44 1.48 0.00 -1.59 -7.23 -0.12 -1.43 120.40 109.07 1xnt s VAL 72 Ca 0.36 -2.14 0.00 0.00 -1.81 0.00 0.00 61.98 58.39 1xnt s VAL 72 Cb -0.02 -2.02 0.00 0.00 0.56 0.00 0.00 36.38 34.90 1xnt s VAL 72 CO 0.21 -0.61 0.00 0.61 -0.31 0.00 0.00 175.10 175.00 1xnt n GLY 73 N -0.33 -0.32 3.61 2.32 0.00 -1.05 0.31 105.19 109.74 1xnt n GLY 73 Ca -0.08 -1.01 -0.24 0.00 0.00 0.00 0.00 46.02 44.69 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 4.41 -0.01 1.61 0.15 -1.26 -1.43 113.70 117.16 1xnt s SER 74 Ca 0.00 -0.65 0.10 0.00 0.70 0.00 0.00 55.95 56.10 1xnt s SER 74 Cb 0.00 -0.78 0.33 0.00 -1.71 0.00 0.00 66.02 63.86 1xnt s SER 74 CO 0.00 0.03 1.24 -0.24 1.20 0.00 0.00 173.24 175.47 1xnt n SER 75 N -0.62 2.09 -4.59 5.45 2.88 -1.26 -4.88 113.62 112.70 1xnt n SER 75 Ca -0.07 -2.06 -0.42 0.00 -1.33 0.00 0.00 58.87 54.99 1xnt n SER 75 Cb 0.58 -0.29 -0.03 0.00 -0.75 0.00 0.00 64.21 63.72 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 0.52 1.57 0.00 -1.46 0.00 -1.26 -3.64 120.51 116.24 1xnt n ALA 76 Ca 0.12 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1xnt n ALA 76 Cb 0.35 -2.98 0.00 0.00 0.00 0.00 0.00 19.45 16.82 1xnt n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xnt n GLY 77 N 5.84 1.78 0.00 0.00 0.00 -1.26 -5.02 105.19 106.53 1xnt n GLY 77 Ca 0.32 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1xnt n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xnt n GLY 78 N 0.00 3.91 3.10 -0.02 0.00 -1.24 -5.02 105.19 105.92 1xnt n GLY 78 Ca 0.00 -1.63 -0.23 0.00 0.00 0.00 0.00 46.02 44.16 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 -1.88 -1.02 -2.89 4.61 0.00 -1.26 -4.92 120.51 113.15 1xnt n ALA 79 Ca 0.00 0.31 -0.43 0.00 0.00 0.00 0.00 53.44 53.32 1xnt n ALA 79 Cb 0.00 -4.16 -0.04 0.00 0.00 0.00 0.00 19.45 15.26 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 -2.79 1.47 0.03 0.00 0.00 -1.26 -4.78 107.32 99.99 1xnt s GLY 80 Ca 0.34 -1.99 -0.04 0.00 0.00 0.00 0.00 44.72 43.04 1xnt s GLY 80 CO 0.43 2.00 -0.07 1.18 0.00 0.00 0.00 173.10 176.64 1xnt n GLU 81 N 7.43 0.11 -1.19 2.90 -0.58 -1.26 -4.73 120.64 123.33 1xnt n GLU 81 Ca -0.02 0.04 -0.25 0.00 -0.42 0.00 0.00 57.16 56.52 1xnt n GLU 81 Cb 0.45 -0.69 0.15 0.00 -0.57 0.00 0.00 31.44 30.78 1xnt n GLU 81 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xnt n GLN 82 N -3.64 2.27 -1.93 3.49 10.64 -1.26 -4.35 117.38 122.59 1xnt n GLN 82 Ca -0.04 -2.90 -0.14 0.00 -1.83 0.00 0.00 57.00 52.09 1xnt n GLN 82 Cb 0.17 -2.14 0.05 0.00 -0.86 0.00 0.00 30.24 27.46 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 -1.00 3.66 -3.50 2.61 2.03 -1.26 -5.05 116.55 114.04 1xnt n ASP 83 Ca 0.57 -3.38 -0.13 0.00 0.52 0.00 0.00 54.79 52.37 1xnt n ASP 83 Cb 1.41 -0.39 0.01 0.00 -0.72 0.00 0.00 41.12 41.42 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 -0.70 -1.32 -4.90 -0.67 4.02 -1.26 -4.83 117.16 107.50 1xnt n TYR 84 Ca 0.32 -1.21 -0.31 0.00 -0.01 0.00 0.00 57.90 56.69 1xnt n TYR 84 Cb 0.90 -0.25 -0.17 0.00 -0.02 0.00 0.00 39.34 39.81 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 2.83 -0.94 -0.72 0.41 0.15 -4.89 118.70 112.31 1xnt s GLU 85 Ca 0.19 -0.79 -0.26 0.00 -0.41 0.00 0.00 54.97 53.70 1xnt s GLU 85 Cb -0.02 -2.22 -0.16 0.00 -1.78 0.00 0.00 34.13 29.96 1xnt s GLU 85 CO 0.12 0.08 2.21 0.08 -0.49 0.00 0.00 175.26 177.26 1xnt s VAL 86 N 0.59 3.11 0.10 2.63 1.01 -1.26 -0.94 120.40 125.63 1xnt s VAL 86 Ca -0.13 -0.14 -0.28 0.00 0.00 0.00 0.00 61.98 61.43 1xnt s VAL 86 Cb -0.17 -3.61 -0.13 0.00 0.00 0.00 0.00 36.38 32.48 1xnt s VAL 86 CO 0.04 -0.22 1.66 0.25 0.00 0.00 0.00 175.10 176.83 1xnt h LEU 87 N 21.60 -0.56 -7.30 3.92 5.85 -1.80 -3.41 115.31 133.62 1xnt h LEU 87 Ca 0.03 0.05 -0.27 0.00 0.84 0.00 0.00 57.88 58.53 1xnt h LEU 87 Cb 0.99 0.19 -0.34 0.00 0.37 0.00 0.00 40.66 41.87 1xnt h LEU 87 CO 1.05 -0.32 -0.61 -1.48 -0.34 0.00 0.00 178.44 176.74 1xnt s LEU 88 N -10.21 0.10 0.00 2.25 2.34 -0.69 -1.45 118.68 111.02 1xnt s LEU 88 Ca -0.16 0.35 -0.16 0.00 0.06 0.00 0.00 54.13 54.23 1xnt s LEU 88 Cb 0.06 0.35 0.25 0.00 -0.56 0.00 0.00 46.19 46.29 1xnt s LEU 88 CO 0.65 -0.22 0.57 1.33 -1.06 0.00 0.00 176.35 177.62 1xnt n VAL 89 N 5.03 0.00 -1.87 1.48 0.24 -1.26 -1.59 118.33 120.36 1xnt n VAL 89 Ca -0.10 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.78 1xnt n VAL 89 Cb 0.50 -0.65 -0.03 0.00 -1.47 0.00 0.00 33.84 32.20 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 -2.03 2.47 -0.20 3.34 -1.32 -1.26 -4.22 115.64 112.42 1xnt s THR 90 Ca 0.44 0.32 -0.11 0.00 -1.21 0.00 0.00 61.69 61.13 1xnt s THR 90 Cb -0.08 -3.21 -0.05 0.00 -1.51 0.00 0.00 72.50 67.66 1xnt s THR 90 CO 0.37 0.02 0.20 -0.94 -2.21 0.00 0.00 174.62 172.06 1xnt s SER 91 N 1.22 6.26 -0.93 8.08 1.04 0.13 -4.65 113.70 124.85 1xnt s SER 91 Ca 0.72 0.30 -0.18 0.00 0.48 0.00 0.00 55.95 57.26 1xnt s SER 91 Cb -0.45 -2.13 0.14 0.00 0.10 0.00 0.00 66.02 63.68 1xnt s SER 91 CO 0.31 0.12 1.12 -0.94 0.98 0.00 0.00 173.24 174.83 1xnt s SER 92 N 0.57 6.65 -0.05 7.02 1.04 -1.24 -0.88 113.70 126.81 1xnt s SER 92 Ca 0.11 -2.11 -0.16 0.00 0.48 0.00 0.00 55.95 54.27 1xnt s SER 92 Cb -0.12 -2.39 -0.10 0.00 0.10 0.00 0.00 66.02 63.51 1xnt s SER 92 CO 0.01 -1.03 0.64 -0.26 0.98 0.00 0.00 173.24 173.59 1xnt h PHE 93 N 8.73 -0.32 -3.28 5.02 0.04 -0.41 -3.48 116.94 123.23 1xnt h PHE 93 Ca 0.16 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.92 1xnt h PHE 93 Cb 1.02 0.11 0.00 0.00 2.20 0.00 0.00 35.95 39.28 1xnt h PHE 93 CO 1.16 -0.05 0.00 -1.33 -0.60 0.00 0.00 178.31 177.48 1xnt n MET 94 N -5.01 2.98 -3.71 1.51 2.81 -1.25 -5.04 117.12 109.41 1xnt n MET 94 Ca -0.06 0.00 -0.18 0.00 -1.81 0.00 0.00 57.70 55.65 1xnt n MET 94 Cb 0.21 0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 32.67 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 -0.46 1.14 -0.84 7.83 3.41 -1.26 -4.59 113.62 118.85 1xnt n SER 95 Ca 0.00 -2.55 0.02 0.00 -0.26 0.00 0.00 58.87 56.08 1xnt n SER 95 Cb 0.00 0.74 0.11 0.00 -0.26 0.00 0.00 64.21 64.80 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 -0.65 2.04 0.00 4.33 -0.04 -1.26 -3.09 135.00 136.33 1xnt n PRO 96 Ca -0.04 -0.88 0.00 0.00 -0.04 0.00 0.00 63.50 62.54 1xnt n PRO 96 Cb 0.44 -1.66 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 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 0.17 3.69 0.06 3.54 2.88 -1.26 -4.72 113.62 117.98 1xnt n SER 97 Ca 0.08 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.60 1xnt n SER 97 Cb 0.48 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.88 1xnt n SER 97 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 1xnt h GLU 98 N 0.00 0.00 -0.07 -1.46 4.11 -1.85 -3.30 114.58 112.01 1xnt h GLU 98 Ca 0.00 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.45 1xnt h GLU 98 Cb 0.99 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 1xnt h GLU 98 CO 0.00 0.52 0.17 0.66 0.07 0.00 0.00 179.01 180.44 1xnt h SER 99 N 0.00 0.00 0.00 3.06 4.64 -1.65 -2.27 113.55 117.33 1xnt h SER 99 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1xnt h SER 99 Cb 1.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.72 1xnt h SER 99 CO 0.07 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.57 1xnt n ARG 100 N -3.32 0.00 -2.19 4.77 1.74 -1.24 -4.56 116.66 111.86 1xnt n ARG 100 Ca -0.01 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.05 1xnt n ARG 100 Cb 0.26 -0.18 0.08 0.00 -1.02 0.00 0.00 32.46 31.59 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 -0.31 -1.17 0.01 0.55 2.88 -1.25 -4.65 113.62 109.68 1xnt n SER 101 Ca 0.00 -1.97 0.04 0.00 -1.33 0.00 0.00 58.87 55.61 1xnt n SER 101 Cb 0.00 0.52 -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 -1.07 -1.15 0.31 0.46 0.00 -1.25 -4.98 105.19 97.52 1xnt n GLY 102 Ca -0.17 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1xnt n GLY 102 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xnt n SER 103 N -2.60 0.00 -4.00 1.61 7.64 -1.26 -5.00 113.62 110.02 1xnt n SER 103 Ca -0.10 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.47 1xnt n SER 103 Cb 0.74 0.08 -0.14 0.00 -1.01 0.00 0.00 64.21 63.88 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 1.33 4.60 0.31 6.43 2.20 -1.25 -4.92 114.94 123.63 1xnt s ASN 104 Ca 0.00 -2.56 0.24 0.00 -0.94 0.00 0.00 52.86 49.60 1xnt s ASN 104 Cb 0.00 -1.65 0.42 0.00 -2.00 0.00 0.00 41.25 38.02 1xnt s ASN 104 CO 0.00 -0.32 1.54 1.55 -2.94 0.00 0.00 177.10 176.93 1xnt h PRO 105 N 7.11 0.00 -3.82 3.55 0.13 -1.65 -3.33 132.00 134.00 1xnt h PRO 105 Ca -0.06 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.70 1xnt h PRO 105 Cb 0.96 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.75 1xnt h PRO 105 CO 0.61 0.00 -0.76 -0.80 -0.23 0.00 0.00 178.00 176.82 1xnt s ASN 106 N -5.40 0.70 -0.15 1.44 0.02 -1.23 -1.90 114.94 108.42 1xnt s ASN 106 Ca 0.07 -0.06 -0.28 0.00 -1.02 0.00 0.00 52.86 51.56 1xnt s ASN 106 Cb 0.09 -0.31 0.07 0.00 0.02 0.00 0.00 41.25 41.11 1xnt s ASN 106 CO 0.67 -0.09 0.71 -0.13 0.02 0.00 0.00 177.10 178.28 1xnt s ARG 107 N 1.06 0.95 0.61 -0.60 0.52 -0.81 -5.02 118.95 115.67 1xnt s ARG 107 Ca -0.09 0.57 0.08 0.00 -0.52 0.00 0.00 55.73 55.77 1xnt s ARG 107 Cb -0.14 0.46 0.11 0.00 0.52 0.00 0.00 34.95 35.89 1xnt s ARG 107 CO -0.01 -0.23 0.84 1.33 0.02 0.00 0.00 175.30 177.25 1xnt n VAL 108 N 1.67 0.00 -3.54 3.52 0.24 -1.26 -1.88 118.33 117.07 1xnt n VAL 108 Ca -0.17 -1.88 -0.17 0.00 -2.04 0.00 0.00 64.34 60.08 1xnt n VAL 108 Cb 0.56 -0.58 -0.06 0.00 -1.47 0.00 0.00 33.84 32.29 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 -4.73 1.02 0.17 7.34 6.06 0.24 -4.78 118.95 124.27 1xnt s ARG 109 Ca 0.62 0.36 0.07 0.00 -2.50 0.00 0.00 55.73 54.29 1xnt s ARG 109 Cb -0.05 0.48 -0.04 0.00 0.06 0.00 0.00 34.95 35.40 1xnt s ARG 109 CO 0.40 -0.29 -0.15 -1.64 -2.50 0.00 0.00 175.30 171.11 1xnt s MET 110 N -0.96 1.22 0.27 5.12 -1.94 -1.26 -1.33 119.30 120.42 1xnt s MET 110 Ca -0.09 -1.45 0.04 0.00 -1.71 0.00 0.00 55.69 52.48 1xnt s MET 110 Cb -0.01 -1.09 -0.06 0.00 2.01 0.00 0.00 34.83 35.68 1xnt s MET 110 CO 0.09 0.20 -0.00 -0.06 -0.01 0.00 0.00 175.02 175.23 1xnt s PHE 111 N -2.54 1.78 0.00 -0.03 0.40 0.13 -4.98 117.98 112.74 1xnt s PHE 111 Ca 0.17 -0.87 0.00 0.00 -0.60 0.00 0.00 56.93 55.63 1xnt s PHE 111 Cb -0.03 -1.06 0.00 0.00 0.51 0.00 0.00 43.02 42.44 1xnt s PHE 111 CO 0.05 0.06 0.00 0.41 0.70 0.00 0.00 175.22 176.45 1xnt n GLY 112 N -0.53 5.40 0.18 4.36 0.00 -1.26 -1.38 105.19 111.96 1xnt n GLY 112 Ca -0.04 -1.26 -0.16 0.00 0.00 0.00 0.00 46.02 44.55 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 -1.23 -3.17 132.00 129.91 1xnt h PRO 113 Ca 0.00 -0.59 -0.04 0.00 -0.87 0.00 0.00 66.00 64.50 1xnt h PRO 113 Cb 0.00 0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.29 1xnt h PRO 113 CO 0.00 1.21 -0.18 -0.44 -0.23 0.00 0.00 178.00 178.35 1xnt h ASP 114 N 0.33 0.00 -0.10 1.44 3.32 -1.97 -1.65 116.42 117.79 1xnt h ASP 114 Ca -0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1xnt h ASP 114 Cb 1.59 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.14 1xnt h ASP 114 CO 0.18 0.18 0.00 0.29 -1.72 0.00 0.00 179.24 178.17 1xnt n LYS 115 N -3.82 1.84 -5.19 3.56 4.01 -1.20 -4.87 118.16 112.50 1xnt n LYS 115 Ca -0.02 -1.24 -0.30 0.00 -0.51 0.00 0.00 58.31 56.24 1xnt n LYS 115 Cb 0.28 -1.45 -0.16 0.00 -0.51 0.00 0.00 35.03 33.19 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 -1.80 2.04 0.20 -0.35 0.05 -0.62 -4.19 118.68 114.01 1xnt s LEU 116 Ca 0.35 -0.44 -0.33 0.00 0.05 0.00 0.00 54.13 53.76 1xnt s LEU 116 Cb 0.20 -1.24 -0.13 0.00 -2.05 0.00 0.00 46.19 42.97 1xnt s LEU 116 CO 0.30 0.28 1.66 0.55 -0.55 0.00 0.00 176.35 178.59 1xnt n VAL 117 N 2.61 0.08 0.10 1.48 3.14 -0.53 -4.82 118.33 120.39 1xnt n VAL 117 Ca -0.16 -0.02 -0.04 0.00 -2.96 0.00 0.00 64.34 61.15 1xnt n VAL 117 Cb 0.52 -1.82 0.07 0.00 -1.06 0.00 0.00 33.84 31.54 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 6.32 0.07 0.00 1.45 2.47 -1.93 0.84 114.38 123.60 1xnt h ARG 118 Ca -0.44 -0.07 -0.01 0.00 -1.26 0.00 0.00 59.98 58.20 1xnt h ARG 118 Cb 1.22 0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 29.56 1xnt h ARG 118 CO 0.92 0.78 -0.05 0.00 0.56 0.00 0.00 179.97 182.18 1xnt h ALA 119 N 1.20 1.07 0.00 0.04 0.00 -2.00 -3.17 119.26 116.39 1xnt h ALA 119 Ca -0.02 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1xnt h ALA 119 Cb 1.31 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1xnt h ALA 119 CO 0.10 0.07 -1.31 0.00 0.00 0.00 0.00 179.25 178.11 1xnt n ALA 120 N -2.15 2.35 -0.34 0.00 0.00 -1.13 -4.58 120.51 114.67 1xnt n ALA 120 Ca -0.01 -0.23 0.16 0.00 0.00 0.00 0.00 53.44 53.37 1xnt n ALA 120 Cb 0.25 0.41 0.37 0.00 0.00 0.00 0.00 19.45 20.48 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 -0.13 1.72 0.00 0.00 0.00 0.59 0.81 119.26 122.25 1xnt h ALA 121 Ca -0.13 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1xnt h ALA 121 Cb 1.15 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1xnt h ALA 121 CO -0.06 -0.26 0.00 -0.85 0.00 0.00 0.00 179.25 178.08 1xnt n GLU 122 N -4.90 0.96 -3.31 0.00 -0.00 -1.20 -0.85 120.64 111.34 1xnt n GLU 122 Ca 0.26 0.00 -0.38 0.00 -0.00 0.00 0.00 57.16 57.04 1xnt n GLU 122 Cb 0.72 -1.50 -0.06 0.00 -0.00 0.00 0.00 31.44 30.60 1xnt n GLU 122 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1xnt s LYS 123 N -2.02 4.25 -0.24 3.44 1.02 0.28 -4.85 119.74 121.62 1xnt s LYS 123 Ca 0.46 0.55 -0.29 0.00 0.02 0.00 0.00 55.97 56.72 1xnt s LYS 123 Cb 0.21 -3.36 -0.03 0.00 -0.52 0.00 0.00 37.83 34.14 1xnt s LYS 123 CO 0.36 0.35 1.80 1.03 -0.92 0.00 0.00 175.35 177.97 1xnt s ARG 124 N -0.04 3.54 0.35 1.68 0.52 -1.26 -4.38 118.95 119.37 1xnt s ARG 124 Ca 0.27 1.69 0.09 0.00 -0.52 0.00 0.00 55.73 57.26 1xnt s ARG 124 Cb -0.17 -4.16 -0.05 0.00 0.52 0.00 0.00 34.95 31.09 1xnt s ARG 124 CO 0.14 -1.61 0.04 -1.58 0.02 0.00 0.00 175.30 172.31 1xnt s TRP 125 N 6.25 2.57 -0.00 -0.53 0.52 0.20 -4.71 118.94 123.24 1xnt s TRP 125 Ca 0.80 -0.45 0.00 0.00 0.02 0.00 0.00 56.10 56.47 1xnt s TRP 125 Cb -0.26 -1.56 0.00 0.00 -1.15 0.00 0.00 33.47 30.50 1xnt s TRP 125 CO 0.33 0.44 0.60 -0.40 0.02 0.00 0.00 176.95 177.94 1xnt n ASP 126 N -1.00 0.37 -3.87 2.95 5.68 -0.58 -0.50 116.55 119.59 1xnt n ASP 126 Ca -0.04 -1.21 -0.11 0.00 -0.50 0.00 0.00 54.79 52.93 1xnt n ASP 126 Cb 0.63 -0.01 -0.10 0.00 -1.14 0.00 0.00 41.12 40.50 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 -0.19 0.45 0.01 0.11 0.52 -0.51 -0.56 118.95 118.78 1xnt s ARG 127 Ca 0.00 -0.36 0.02 0.00 -0.52 0.00 0.00 55.73 54.88 1xnt s ARG 127 Cb 0.00 0.19 -0.01 0.00 0.52 0.00 0.00 34.95 35.65 1xnt s ARG 127 CO 0.00 -0.10 -0.08 0.54 0.02 0.00 0.00 175.30 175.68 1xnt s VAL 128 N -1.26 0.60 -0.30 3.52 0.11 0.23 -2.51 120.40 120.78 1xnt s VAL 128 Ca -0.14 -0.51 -0.06 0.00 -2.93 0.00 0.00 61.98 58.34 1xnt s VAL 128 Cb -0.07 -0.54 0.02 0.00 -1.53 0.00 0.00 36.38 34.26 1xnt s VAL 128 CO 0.01 0.04 0.07 -0.75 -3.33 0.00 0.00 175.10 171.14 1xnt s LYS 129 N -0.53 2.91 -0.22 1.54 2.20 -0.51 0.10 119.74 125.23 1xnt s LYS 129 Ca 0.00 -0.98 -0.06 0.00 -0.36 0.00 0.00 55.97 54.57 1xnt s LYS 129 Cb -0.05 -3.35 -0.03 0.00 -1.51 0.00 0.00 37.83 32.90 1xnt s LYS 129 CO 0.00 -0.51 0.04 0.42 -0.36 0.00 0.00 175.35 174.94 1xnt s ILE 130 N 1.44 4.21 -0.11 5.43 -1.09 -0.26 -1.06 121.20 129.76 1xnt s ILE 130 Ca 0.01 -0.22 0.00 0.00 -2.23 0.00 0.00 60.65 58.21 1xnt s ILE 130 Cb -0.18 -2.93 0.02 0.00 -1.58 0.00 0.00 42.46 37.80 1xnt s ILE 130 CO 0.02 0.40 -0.10 -0.69 -1.23 0.00 0.00 174.94 173.34 1xnt s VAL 131 N 1.13 1.15 0.09 2.92 1.01 -0.46 0.57 120.40 126.80 1xnt s VAL 131 Ca 0.03 -0.38 -0.11 0.00 0.00 0.00 0.00 61.98 61.52 1xnt s VAL 131 Cb -0.14 -1.13 -0.06 0.00 0.00 0.00 0.00 36.38 35.05 1xnt s VAL 131 CO 0.02 0.38 0.43 0.00 0.00 0.00 0.00 175.10 175.94 1xnt s SER 133 N -1.68 0.24 0.00 0.00 0.01 0.20 -1.36 113.70 111.11 1xnt s SER 133 Ca 0.33 0.44 0.00 0.00 1.31 0.00 0.00 55.95 58.03 1xnt s SER 133 Cb -0.14 0.40 0.00 0.00 0.21 0.00 0.00 66.02 66.49 1xnt s SER 133 CO 0.18 -0.21 0.00 1.67 0.41 0.00 0.00 173.24 175.29 1xnt n GLN 134 N 4.86 0.00 -2.36 12.44 0.00 -0.73 -1.07 117.38 130.52 1xnt n GLN 134 Ca -0.14 0.00 -0.41 0.00 -0.00 0.00 0.00 57.00 56.45 1xnt n GLN 134 Cb 0.51 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.72 1xnt n GLN 134 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 1xnt s PRO 135 N 0.00 3.13 0.00 3.69 0.04 -1.24 -4.40 135.00 136.23 1xnt s PRO 135 Ca 0.00 0.30 0.00 0.00 0.04 0.00 0.00 61.00 61.34 1xnt s PRO 135 Cb 0.00 -4.19 0.00 0.00 0.04 0.00 0.00 34.50 30.35 1xnt s PRO 135 CO 0.00 -2.16 0.01 2.48 0.04 0.00 0.00 177.00 177.38 1xnt n TYR 136 N 10.17 0.00 -3.93 0.56 0.18 -1.15 -4.99 117.16 118.00 1xnt n TYR 136 Ca 0.11 0.00 -0.07 0.00 1.88 0.00 0.00 57.90 59.82 1xnt n TYR 136 Cb 0.50 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.45 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 -0.26 1.94 0.00 9.48 2.88 -1.26 -4.96 113.62 121.44 1xnt n SER 137 Ca 0.00 -1.50 0.00 0.00 -1.33 0.00 0.00 58.87 56.04 1xnt n SER 137 Cb 0.02 0.04 0.00 0.00 -0.75 0.00 0.00 64.21 63.52 1xnt n SER 137 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1xnt n LYS 138 N -0.52 0.00 -0.05 -1.46 2.85 -1.26 -4.16 118.16 113.56 1xnt n LYS 138 Ca -0.03 0.00 -0.05 0.00 -1.05 0.00 0.00 58.31 57.18 1xnt n LYS 138 Cb 0.15 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.46 1xnt n LYS 138 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1xnt n ASP 139 N -1.19 2.80 -4.68 -5.58 5.75 -1.26 -3.25 116.55 109.14 1xnt n ASP 139 Ca 0.00 -0.01 -0.31 0.00 -0.01 0.00 0.00 54.79 54.46 1xnt n ASP 139 Cb 0.00 0.55 -0.08 0.00 -1.03 0.00 0.00 41.12 40.56 1xnt n ASP 139 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1xnt s SER 140 N -4.32 5.02 0.81 -1.12 1.04 -1.26 -4.61 113.70 109.26 1xnt s SER 140 Ca -0.07 -0.13 -0.06 0.00 0.48 0.00 0.00 55.95 56.18 1xnt s SER 140 Cb 0.03 -1.23 0.14 0.00 0.10 0.00 0.00 66.02 65.06 1xnt s SER 140 CO 0.36 0.21 0.87 -0.81 0.98 0.00 0.00 173.24 174.85 1xnt n PRO 141 N 0.87 -0.41 -0.66 4.02 -0.04 -1.26 -3.81 135.00 133.72 1xnt n PRO 141 Ca -0.12 -1.85 0.00 0.00 -0.04 0.00 0.00 63.50 61.49 1xnt n PRO 141 Cb 0.52 -0.74 0.00 0.00 -0.04 0.00 0.00 33.50 33.24 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 -2.90 -0.03 0.00 0.54 3.72 -1.26 -4.93 117.46 112.60 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 0.45 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.99 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 -0.37 3.52 1.37 0.00 -1.25 -0.93 105.19 107.52 1xnt n GLY 143 Ca 0.00 -0.20 -0.25 0.00 0.00 0.00 0.00 46.02 45.57 1xnt n GLY 143 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1xnt s LEU 144 N 0.00 2.69 0.16 0.99 2.34 -1.18 -1.70 118.68 121.98 1xnt s LEU 144 Ca 0.00 -1.09 0.25 0.00 0.06 0.00 0.00 54.13 53.35 1xnt s LEU 144 Cb 0.00 -1.09 0.53 0.00 -0.56 0.00 0.00 46.19 45.07 1xnt s LEU 144 CO 0.00 -0.08 1.51 -1.20 -1.06 0.00 0.00 176.35 175.52 1xnt n SER 145 N -0.72 0.76 0.00 1.48 7.64 0.21 -1.61 113.62 121.39 1xnt n SER 145 Ca -0.05 0.31 0.00 0.00 1.01 0.00 0.00 58.87 60.14 1xnt n SER 145 Cb 0.62 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 1xnt n SER 145 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 1xnt n PHE 146 N -2.19 0.00 -3.89 1.43 -1.74 -1.16 -4.56 117.46 105.35 1xnt n PHE 146 Ca 0.04 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 56.82 1xnt n PHE 146 Cb 0.44 0.00 -0.13 0.00 1.52 0.00 0.00 39.48 41.31 1xnt n PHE 146 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1xnt s VAL 147 N -2.00 0.03 0.20 1.97 -7.23 -1.26 -1.66 120.40 110.46 1xnt s VAL 147 Ca 0.00 -0.29 -0.11 0.00 -1.81 0.00 0.00 61.98 59.78 1xnt s VAL 147 Cb 0.00 -0.14 -0.00 0.00 0.56 0.00 0.00 36.38 36.79 1xnt s VAL 147 CO 0.00 -0.16 0.37 -0.13 -0.31 0.00 0.00 175.10 174.88 1xnt s ARG 148 N -0.47 1.33 0.09 4.82 0.52 0.32 -4.90 118.95 120.66 1xnt s ARG 148 Ca -0.05 -1.20 -0.12 0.00 -0.52 0.00 0.00 55.73 53.84 1xnt s ARG 148 Cb -0.03 0.42 0.01 0.00 0.52 0.00 0.00 34.95 35.87 1xnt s ARG 148 CO -0.00 -0.52 0.28 -0.06 0.02 0.00 0.00 175.30 175.01 1xnt s PHE 149 N -3.99 -0.01 -0.23 -0.53 0.08 -1.26 -1.44 117.98 110.59 1xnt s PHE 149 Ca 0.20 -0.31 -0.09 0.00 0.12 0.00 0.00 56.93 56.85 1xnt s PHE 149 Cb 0.02 0.07 0.09 0.00 -0.57 0.00 0.00 43.02 42.63 1xnt s PHE 149 CO 0.04 -0.58 0.51 -1.01 -0.10 0.00 0.00 175.22 174.08 1xnt s HIS 150 N -3.51 -0.94 -2.04 0.36 3.76 -0.28 -2.76 115.29 109.88 1xnt s HIS 150 Ca 0.02 1.77 0.32 0.00 -0.15 0.00 0.00 55.06 57.01 1xnt s HIS 150 Cb 0.03 0.47 1.84 0.00 1.11 0.00 0.00 32.58 36.02 1xnt s HIS 150 CO -0.09 -0.51 2.19 -1.13 -0.85 0.00 0.00 174.74 174.34