#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 2.40 -3.45 2.12 -0.04 -1.26 -4.87 135.00 129.90 1xnt n PRO 2 Ca 0.00 -1.98 -0.12 0.00 -0.04 0.00 0.00 63.50 61.36 1xnt n PRO 2 Cb 0.00 -2.13 -0.03 0.00 -0.04 0.00 0.00 33.50 31.30 1xnt n PRO 2 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1xnt s GLU 3 N -0.78 1.19 0.12 0.54 2.02 -1.26 -4.75 118.70 115.77 1xnt s GLU 3 Ca 0.61 -0.33 -0.30 0.00 0.02 0.00 0.00 54.97 54.97 1xnt s GLU 3 Cb 0.35 0.55 -0.06 0.00 0.10 0.00 0.00 34.13 35.07 1xnt s GLU 3 CO -0.15 -0.50 0.97 0.42 0.02 0.00 0.00 175.26 176.03 1xnt s ILE 4 N -3.26 4.45 -0.31 -1.63 -1.09 -1.02 -4.79 121.20 113.55 1xnt s ILE 4 Ca -0.00 2.04 -0.07 0.00 -2.23 0.00 0.00 60.65 60.39 1xnt s ILE 4 Cb -0.01 -4.30 0.01 0.00 -1.58 0.00 0.00 42.46 36.58 1xnt s ILE 4 CO -0.09 0.32 0.09 -0.60 -1.23 0.00 0.00 174.94 173.43 1xnt s ARG 5 N -0.03 3.01 0.26 2.79 3.52 -1.26 -4.58 118.95 122.65 1xnt s ARG 5 Ca 0.47 -0.92 -0.29 0.00 -0.13 0.00 0.00 55.73 54.86 1xnt s ARG 5 Cb -0.24 -3.41 -0.09 0.00 -1.56 0.00 0.00 34.95 29.65 1xnt s ARG 5 CO 0.30 -0.49 0.95 -1.17 -0.81 0.00 0.00 175.30 174.08 1xnt s LEU 6 N 1.49 4.59 -0.07 -0.88 2.96 -1.26 -0.21 118.68 125.29 1xnt s LEU 6 Ca 0.02 1.94 -0.05 0.00 -0.22 0.00 0.00 54.13 55.82 1xnt s LEU 6 Cb -0.18 -3.68 -0.02 0.00 0.50 0.00 0.00 46.19 42.81 1xnt s LEU 6 CO 0.03 0.11 -0.10 -1.14 -1.32 0.00 0.00 176.35 173.92 1xnt n ARG 7 N 1.31 0.23 -3.84 1.98 0.63 -0.02 -4.68 116.66 112.28 1xnt n ARG 7 Ca -0.01 0.34 -0.07 0.00 -0.92 0.00 0.00 57.85 57.18 1xnt n ARG 7 Cb 0.47 -1.17 -0.00 0.00 0.45 0.00 0.00 32.46 32.21 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 -1.68 -0.08 -1.01 -0.14 -3.43 -1.25 -4.99 115.29 102.71 1xnt s HIS 8 Ca -0.09 -0.45 -0.23 0.00 -0.80 0.00 0.00 55.06 53.49 1xnt s HIS 8 Cb 0.01 0.75 0.05 0.00 -1.43 0.00 0.00 32.58 31.96 1xnt s HIS 8 CO 0.13 -1.34 1.46 0.54 -2.00 0.00 0.00 174.74 173.53 1xnt s VAL 9 N -3.31 3.90 0.12 -5.38 0.11 -1.26 0.12 120.40 114.71 1xnt s VAL 9 Ca 0.13 -0.71 -0.27 0.00 -2.93 0.00 0.00 61.98 58.19 1xnt s VAL 9 Cb -0.05 -5.03 -0.06 0.00 -1.53 0.00 0.00 36.38 29.71 1xnt s VAL 9 CO 0.08 -1.91 1.62 1.62 -3.33 0.00 0.00 175.10 173.17 1xnt h VAL 10 N 6.79 0.31 -3.29 2.04 3.04 -1.70 -3.43 116.25 120.00 1xnt h VAL 10 Ca 0.18 0.00 -0.60 0.00 -1.01 0.00 0.00 66.70 65.27 1xnt h VAL 10 Cb 1.01 0.31 -0.19 0.00 -2.01 0.00 0.00 31.29 30.41 1xnt h VAL 10 CO 1.42 0.00 -0.81 -0.44 -1.01 0.00 0.00 177.57 176.73 1xnt s SER 11 N -4.84 3.10 -0.12 3.17 0.01 -0.41 -5.01 113.70 109.60 1xnt s SER 11 Ca -0.16 -0.85 -0.05 0.00 1.31 0.00 0.00 55.95 56.20 1xnt s SER 11 Cb 0.09 -0.21 0.05 0.00 0.21 0.00 0.00 66.02 66.16 1xnt s SER 11 CO 0.65 0.06 0.25 0.00 0.41 0.00 0.00 173.24 174.61 1xnt n SER 13 N 4.76 4.73 0.00 0.00 2.88 0.22 -4.82 113.62 121.39 1xnt n SER 13 Ca -0.16 -3.70 0.00 0.00 -1.33 0.00 0.00 58.87 53.67 1xnt n SER 13 Cb 0.51 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 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 -0.57 0.00 -3.77 -3.46 7.64 -1.09 -1.88 113.62 110.49 1xnt n SER 14 Ca 0.40 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 60.16 1xnt n SER 14 Cb 0.79 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.87 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 0.27 0.00 1.43 -0.44 -1.26 -4.01 119.66 115.65 1xnt s GLN 15 Ca 0.00 0.40 0.00 0.00 -2.50 0.00 0.00 55.36 53.26 1xnt s GLN 15 Cb 0.00 0.06 0.00 0.00 -1.64 0.00 0.00 33.01 31.43 1xnt s GLN 15 CO 0.00 -0.07 0.00 -3.47 0.50 0.00 0.00 175.29 172.25 1xnt n ASP 16 N 3.34 0.00 -0.00 6.67 2.03 -0.63 -3.58 116.55 124.37 1xnt n ASP 16 Ca -0.16 -0.25 -0.00 0.00 0.52 0.00 0.00 54.79 54.89 1xnt n ASP 16 Cb 0.57 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.97 1xnt n ASP 16 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1xnt n SER 17 N -0.74 0.11 0.40 1.67 2.88 -1.26 -4.07 113.62 112.61 1xnt n SER 17 Ca 0.00 0.19 -0.16 0.00 -1.33 0.00 0.00 58.87 57.57 1xnt n SER 17 Cb 0.00 -0.52 -0.08 0.00 -0.75 0.00 0.00 64.21 62.86 1xnt n SER 17 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1xnt h THR 18 N -0.06 0.00 -1.13 2.46 1.35 -2.00 -3.23 112.91 110.30 1xnt h THR 18 Ca 0.00 -0.17 -0.75 0.00 -0.55 0.00 0.00 66.41 64.95 1xnt h THR 18 Cb 0.04 0.00 -0.13 0.00 -1.73 0.00 0.00 68.15 66.33 1xnt h THR 18 CO 0.00 0.00 2.28 1.41 -0.25 0.00 0.00 175.52 178.96 1xnt n HIS 19 N -5.26 2.94 -2.58 4.73 8.25 -1.26 -4.91 115.22 117.13 1xnt n HIS 19 Ca -0.13 -2.82 -0.22 0.00 -0.26 0.00 0.00 57.72 54.29 1xnt n HIS 19 Cb 0.41 -2.02 0.05 0.00 1.12 0.00 0.00 29.99 29.54 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 -0.09 1.30 0.00 0.00 0.00 -1.84 -1.42 119.26 117.22 1xnt h ALA 21 Ca -0.42 -0.07 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 19.07 1xnt h ALA 21 CO 0.52 0.09 0.00 1.49 0.00 0.00 0.00 179.25 181.35 1xnt h GLU 22 N 0.00 0.00 0.00 0.00 4.81 -1.95 0.32 114.58 117.76 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 0.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.62 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 0.38 1.04 2.35 -1.58 -1.17 115.58 116.61 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 0.08 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.44 1xnt h ASN 23 CO 0.00 0.00 -0.13 -0.07 -1.65 0.00 0.00 177.43 175.58 1xnt h LEU 24 N 0.00 0.00 -2.93 1.61 3.38 -1.12 -0.87 115.31 115.38 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 0.13 -0.00 -0.07 0.09 0.00 0.00 178.44 178.59 1xnt h LEU 25 N 0.00 0.00 -6.39 1.67 -0.00 -1.38 -3.07 115.31 106.14 1xnt h LEU 25 Ca -0.00 0.00 -0.59 0.00 -0.00 0.00 0.00 57.88 57.28 1xnt h LEU 25 Cb 0.36 0.00 -0.41 0.00 -0.00 0.00 0.00 40.66 40.61 1xnt h LEU 25 CO 0.02 0.00 -0.76 0.29 -0.00 0.00 0.00 178.44 177.99 1xnt n LYS 26 N -3.17 1.63 -0.16 1.13 5.02 -0.33 -4.96 118.16 117.32 1xnt n LYS 26 Ca -0.03 -4.10 -0.04 0.00 -2.02 0.00 0.00 58.31 52.13 1xnt n LYS 26 Cb 0.07 -1.95 0.03 0.00 -0.02 0.00 0.00 35.03 33.16 1xnt n LYS 26 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xnt h ALA 27 N 4.62 0.21 -1.38 7.82 0.00 -1.66 -3.11 119.26 125.76 1xnt h ALA 27 Ca 0.17 0.18 -0.72 0.00 0.00 0.00 0.00 54.91 54.54 1xnt h ALA 27 Cb 0.77 0.50 -0.15 0.00 0.00 0.00 0.00 17.79 18.91 1xnt h ALA 27 CO 0.66 -0.52 1.67 -0.25 0.00 0.00 0.00 179.25 180.81 1xnt n ASP 28 N -5.40 5.11 -1.15 0.00 8.00 -1.26 -4.36 116.55 117.49 1xnt n ASP 28 Ca 0.04 -2.97 -0.06 0.00 0.71 0.00 0.00 54.79 52.52 1xnt n ASP 28 Cb 0.30 -1.61 -0.04 0.00 -0.02 0.00 0.00 41.12 39.75 1xnt n ASP 28 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1xnt n THR 29 N 4.99 0.00 -1.86 -3.53 -1.04 -1.18 -4.98 114.28 106.69 1xnt n THR 29 Ca 0.41 -0.12 -0.07 0.00 -2.04 0.00 0.00 64.05 62.23 1xnt n THR 29 Cb 0.43 0.51 -0.02 0.00 -1.82 0.00 0.00 70.33 69.43 1xnt n THR 29 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xnt n TYR 30 N -0.18 -1.17 -4.44 -1.42 0.18 -1.26 -4.90 117.16 103.97 1xnt n TYR 30 Ca -0.24 0.00 -0.27 0.00 1.88 0.00 0.00 57.90 59.27 1xnt n TYR 30 Cb 0.67 -1.96 -0.17 0.00 -0.38 0.00 0.00 39.34 37.50 1xnt n TYR 30 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 1xnt s ARG 31 N -3.86 2.01 0.37 -3.48 1.81 -1.26 -5.14 118.95 109.40 1xnt s ARG 31 Ca 0.00 -0.49 0.06 0.00 -1.72 0.00 0.00 55.73 53.58 1xnt s ARG 31 Cb 0.00 -1.73 -0.07 0.00 -0.45 0.00 0.00 34.95 32.70 1xnt s ARG 31 CO 0.00 -0.06 0.03 0.15 -0.68 0.00 0.00 175.30 174.74 1xnt s LYS 32 N 0.98 1.82 0.30 3.54 1.02 -1.26 -4.64 119.74 121.50 1xnt s LYS 32 Ca -0.08 -2.02 -0.28 0.00 0.02 0.00 0.00 55.97 53.61 1xnt s LYS 32 Cb -0.15 -1.31 -0.09 0.00 -0.52 0.00 0.00 37.83 35.76 1xnt s LYS 32 CO -0.01 -0.10 1.10 -0.46 -0.92 0.00 0.00 175.35 174.96 1xnt s TRP 33 N -2.96 3.50 -0.06 3.18 -0.00 0.36 -4.51 118.94 118.45 1xnt s TRP 33 Ca 0.36 1.68 -0.03 0.00 -0.00 0.00 0.00 56.10 58.11 1xnt s TRP 33 Cb 0.09 -3.27 0.04 0.00 -0.00 0.00 0.00 33.47 30.33 1xnt s TRP 33 CO 0.17 -0.61 0.13 1.03 -0.00 0.00 0.00 176.95 177.67 1xnt s ARG 34 N -1.65 0.08 0.66 5.86 0.52 -1.13 -3.32 118.95 119.98 1xnt s ARG 34 Ca 0.47 0.34 -0.17 0.00 -0.52 0.00 0.00 55.73 55.85 1xnt s ARG 34 Cb -0.31 -0.17 -0.05 0.00 0.52 0.00 0.00 34.95 34.95 1xnt s ARG 34 CO 0.39 -0.16 0.70 0.00 0.02 0.00 0.00 175.30 176.26 1xnt n ALA 35 N 4.14 -0.80 0.06 2.13 0.00 -0.35 -1.61 120.51 124.08 1xnt n ALA 35 Ca -0.26 -0.12 -0.05 0.00 0.00 0.00 0.00 53.44 53.01 1xnt n ALA 35 Cb 0.52 -1.95 0.14 0.00 0.00 0.00 0.00 19.45 18.16 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 0.00 0.91 -3.00 0.00 0.00 -1.69 -3.30 119.26 112.17 1xnt h ALA 36 Ca -0.47 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 53.97 1xnt h ALA 36 Cb 1.36 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1xnt h ALA 36 CO 0.46 0.66 0.00 0.36 0.00 0.00 0.00 179.25 180.74 1xnt n LYS 37 N -3.96 3.28 -4.38 0.00 2.85 -1.26 -4.70 118.16 109.99 1xnt n LYS 37 Ca -0.02 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 57.05 1xnt n LYS 37 Cb 0.55 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.83 1xnt n LYS 37 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1xnt s ALA 38 N -2.22 2.04 0.00 0.58 0.00 -1.26 -4.47 121.76 116.43 1xnt s ALA 38 Ca 0.00 -1.88 0.00 0.00 0.00 0.00 0.00 51.96 50.08 1xnt s ALA 38 Cb 0.00 0.54 0.00 0.00 0.00 0.00 0.00 23.12 23.66 1xnt s ALA 38 CO 0.00 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 175.91 1xnt n GLY 39 N -0.52 2.80 2.56 0.00 0.00 -1.26 -4.85 105.19 103.92 1xnt n GLY 39 Ca -0.04 -0.35 -0.02 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 -3.22 -0.01 1.61 4.71 -1.26 -3.93 120.64 118.53 1xnt n GLU 40 Ca 0.00 2.45 -0.04 0.00 -0.01 0.00 0.00 57.16 59.56 1xnt n GLU 40 Cb 0.00 -3.23 -0.01 0.00 -1.01 0.00 0.00 31.44 27.19 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 2.00 0.08 -3.17 3.49 4.81 -1.26 -3.85 118.16 120.25 1xnt n LYS 41 Ca -0.15 0.03 0.02 0.00 -0.87 0.00 0.00 58.31 57.34 1xnt n LYS 41 Cb 0.24 -0.63 -0.01 0.00 0.02 0.00 0.00 35.03 34.64 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 -2.07 -0.95 -0.09 3.15 -4.23 -1.26 -3.23 115.64 106.95 1xnt s THR 42 Ca -0.05 -0.03 -0.03 0.00 -1.18 0.00 0.00 61.69 60.41 1xnt s THR 42 Cb 0.02 -0.99 -0.03 0.00 1.34 0.00 0.00 72.50 72.84 1xnt s THR 42 CO 0.07 -0.03 0.03 0.27 -0.54 0.00 0.00 174.62 174.41 1xnt s ILE 43 N 2.81 4.53 0.11 2.99 -4.36 -0.22 -4.96 121.20 122.09 1xnt s ILE 43 Ca 0.15 -0.17 0.10 0.00 -0.26 0.00 0.00 60.65 60.47 1xnt s ILE 43 Cb -0.13 -2.92 -0.04 0.00 1.25 0.00 0.00 42.46 40.63 1xnt s ILE 43 CO -0.23 0.61 -0.25 -0.44 0.24 0.00 0.00 174.94 174.87 1xnt s SER 44 N -0.90 3.00 -0.25 4.36 0.01 -0.79 0.31 113.70 119.45 1xnt s SER 44 Ca 0.13 -0.70 -0.03 0.00 1.31 0.00 0.00 55.95 56.66 1xnt s SER 44 Cb -0.11 -0.20 0.14 0.00 0.21 0.00 0.00 66.02 66.05 1xnt s SER 44 CO 0.03 0.15 0.44 0.54 0.41 0.00 0.00 173.24 174.80 1xnt s VAL 45 N -1.06 -0.71 -0.28 3.43 0.11 0.18 0.72 120.40 122.80 1xnt s VAL 45 Ca 0.11 -0.01 -0.17 0.00 -2.93 0.00 0.00 61.98 58.99 1xnt s VAL 45 Cb -0.10 -0.83 -0.03 0.00 -1.53 0.00 0.00 36.38 33.89 1xnt s VAL 45 CO 0.05 -0.06 0.45 -0.69 -3.33 0.00 0.00 175.10 171.52 1xnt s VAL 46 N 2.64 5.11 0.31 2.04 1.01 0.90 -1.00 120.40 131.41 1xnt s VAL 46 Ca 0.11 0.65 0.03 0.00 0.00 0.00 0.00 61.98 62.77 1xnt s VAL 46 Cb -0.15 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 1xnt s VAL 46 CO -0.16 0.07 0.48 -0.76 0.00 0.00 0.00 175.10 174.72 1xnt s LEU 47 N 2.21 4.09 0.01 3.92 1.02 0.38 -1.29 118.68 129.02 1xnt s LEU 47 Ca 0.18 0.19 0.02 0.00 0.02 0.00 0.00 54.13 54.54 1xnt s LEU 47 Cb -0.16 -3.04 -0.04 0.00 0.02 0.00 0.00 46.19 42.98 1xnt s LEU 47 CO 0.10 -0.27 0.00 -1.58 0.02 0.00 0.00 176.35 174.62 1xnt s GLN 48 N -4.19 2.78 -0.15 1.70 2.00 0.12 -1.46 119.66 120.46 1xnt s GLN 48 Ca 0.39 -0.63 -0.05 0.00 -2.00 0.00 0.00 55.36 53.07 1xnt s GLN 48 Cb -0.09 -2.67 -0.04 0.00 0.80 0.00 0.00 33.01 31.01 1xnt s GLN 48 CO 0.33 0.62 0.04 -0.51 -0.50 0.00 0.00 175.29 175.26 1xnt s LEU 49 N -1.64 3.73 -0.06 3.68 1.43 0.12 -0.84 118.68 125.10 1xnt s LEU 49 Ca 0.20 0.11 -0.03 0.00 -1.03 0.00 0.00 54.13 53.38 1xnt s LEU 49 Cb -0.12 -1.91 -0.11 0.00 0.03 0.00 0.00 46.19 44.09 1xnt s LEU 49 CO 0.11 0.25 2.84 1.21 0.23 0.00 0.00 176.35 181.00 1xnt n GLU 50 N 3.00 1.66 0.00 1.70 2.13 0.70 -4.66 120.64 125.17 1xnt n GLU 50 Ca -0.18 -0.80 0.00 0.00 0.66 0.00 0.00 57.16 56.84 1xnt n GLU 50 Cb 0.53 -1.62 0.00 0.00 0.27 0.00 0.00 31.44 30.62 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 1.83 0.00 -2.28 5.31 2.85 -1.26 -4.93 118.16 119.68 1xnt n LYS 51 Ca 0.27 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 57.11 1xnt n LYS 51 Cb 0.71 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 35.06 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 3.39 0.36 -1.58 2.12 -1.26 -4.68 118.70 117.04 1xnt s GLU 52 Ca 0.00 0.86 0.05 0.00 0.36 0.00 0.00 54.97 56.24 1xnt s GLU 52 Cb 0.00 -4.11 -0.03 0.00 0.26 0.00 0.00 34.13 30.25 1xnt s GLU 52 CO 0.00 -1.81 0.20 -1.83 -0.54 0.00 0.00 175.26 171.28 1xnt s GLU 53 N 5.38 1.79 0.75 4.30 4.04 0.27 -4.66 118.70 130.57 1xnt s GLU 53 Ca 0.62 -2.06 -0.03 0.00 0.04 0.00 0.00 54.97 53.54 1xnt s GLU 53 Cb -0.14 -0.10 0.13 0.00 0.02 0.00 0.00 34.13 34.05 1xnt s GLU 53 CO 0.30 -0.55 1.04 -0.65 -1.84 0.00 0.00 175.26 173.55 1xnt s GLN 54 N -3.62 1.57 -0.12 -4.83 -0.21 -1.26 0.35 119.66 111.55 1xnt s GLN 54 Ca 0.33 -0.96 -0.01 0.00 0.02 0.00 0.00 55.36 54.74 1xnt s GLN 54 Cb 0.03 -2.26 0.03 0.00 1.00 0.00 0.00 33.01 31.81 1xnt s GLN 54 CO 0.21 -1.56 -0.06 0.42 -2.12 0.00 0.00 175.29 172.18 1xnt s ILE 55 N -3.25 0.90 -0.10 1.08 1.09 -0.26 -4.57 121.20 116.10 1xnt s ILE 55 Ca 0.67 -0.27 0.10 0.00 -1.10 0.00 0.00 60.65 60.06 1xnt s ILE 55 Cb -0.05 -0.98 -0.15 0.00 -1.06 0.00 0.00 42.46 40.22 1xnt s ILE 55 CO 0.45 0.30 0.06 1.57 -0.10 0.00 0.00 174.94 177.22 1xnt n HIS 56 N 4.97 0.00 -3.76 3.97 -0.00 -1.20 -4.58 115.22 114.62 1xnt n HIS 56 Ca -0.11 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 57.94 1xnt n HIS 56 Cb 0.50 -0.54 -0.09 0.00 -0.12 0.00 0.00 29.99 29.74 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 -4.31 -0.24 0.17 0.26 0.01 -0.09 -1.06 113.70 108.44 1xnt s SER 57 Ca -0.06 0.29 0.04 0.00 1.31 0.00 0.00 55.95 57.53 1xnt s SER 57 Cb 0.04 0.44 -0.05 0.00 0.21 0.00 0.00 66.02 66.66 1xnt s SER 57 CO 0.47 -0.32 -0.06 -0.69 0.41 0.00 0.00 173.24 173.05 1xnt s VAL 58 N -0.78 1.08 -0.03 3.43 1.01 0.11 -0.69 120.40 124.52 1xnt s VAL 58 Ca -0.09 -2.04 -0.02 0.00 0.00 0.00 0.00 61.98 59.83 1xnt s VAL 58 Cb -0.04 -2.02 0.02 0.00 0.00 0.00 0.00 36.38 34.34 1xnt s VAL 58 CO 0.03 -0.60 0.07 -0.62 0.00 0.00 0.00 175.10 173.98 1xnt s ASP 59 N -3.21 -0.05 -0.23 3.32 2.15 0.18 0.40 116.67 119.23 1xnt s ASP 59 Ca 0.21 0.15 -0.15 0.00 0.43 0.00 0.00 52.55 53.18 1xnt s ASP 59 Cb 0.04 0.10 0.07 0.00 -0.30 0.00 0.00 42.92 42.83 1xnt s ASP 59 CO 0.03 -0.07 0.58 -0.63 -0.17 0.00 0.00 175.17 174.92 1xnt s ILE 60 N 0.47 -0.01 -0.16 4.11 1.09 -0.45 0.46 121.20 126.71 1xnt s ILE 60 Ca -0.04 0.03 -0.05 0.00 -1.10 0.00 0.00 60.65 59.49 1xnt s ILE 60 Cb -0.05 -0.84 -0.03 0.00 -1.06 0.00 0.00 42.46 40.47 1xnt s ILE 60 CO -0.02 0.01 0.02 -0.83 -0.10 0.00 0.00 174.94 174.02 1xnt s GLY 61 N 1.21 1.83 -0.08 6.18 0.00 -0.70 -1.19 107.32 114.58 1xnt s GLY 61 Ca -0.07 -0.78 -0.25 0.00 0.00 0.00 0.00 44.72 43.62 1xnt s GLY 61 CO -0.12 -0.10 0.80 0.54 0.00 0.00 0.00 173.10 174.22 1xnt s ASN 62 N 0.14 7.06 -1.09 1.64 2.20 -0.66 -1.27 114.94 122.96 1xnt s ASN 62 Ca 0.02 1.29 -0.05 0.00 -0.94 0.00 0.00 52.86 53.18 1xnt s ASN 62 Cb -0.13 -2.46 0.30 0.00 -2.00 0.00 0.00 41.25 36.96 1xnt s ASN 62 CO 0.02 -0.23 1.45 -0.67 -2.94 0.00 0.00 177.10 174.72 1xnt n ASP 63 N 4.25 6.29 0.00 3.54 2.03 -0.38 -3.39 116.55 128.89 1xnt n ASP 63 Ca 0.02 -3.36 0.00 0.00 0.52 0.00 0.00 54.79 51.97 1xnt n ASP 63 Cb 0.50 -1.29 0.00 0.00 -0.72 0.00 0.00 41.12 39.61 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 1.52 0.64 1.37 0.27 0.00 -0.82 -3.81 105.19 104.38 1xnt n GLY 64 Ca 0.26 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.18 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 0.18 0.03 1.61 3.41 -1.26 -4.71 113.62 112.88 1xnt n SER 65 Ca 0.00 -1.25 0.00 0.00 -0.26 0.00 0.00 58.87 57.36 1xnt n SER 65 Cb 0.00 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 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 -3.19 2.57 -2.80 7.33 0.00 -1.26 -4.18 120.51 118.98 1xnt n ALA 66 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.02 1xnt n ALA 66 Cb 0.21 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.56 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 3.29 -0.16 0.00 0.08 0.21 -0.01 117.98 119.39 1xnt s PHE 67 Ca 0.00 0.14 -0.02 0.00 0.12 0.00 0.00 56.93 57.16 1xnt s PHE 67 Cb 0.00 -2.07 0.05 0.00 -0.57 0.00 0.00 43.02 40.43 1xnt s PHE 67 CO 0.00 0.22 0.02 0.08 -0.10 0.00 0.00 175.22 175.44 1xnt s VAL 68 N 0.25 0.51 0.10 -0.44 1.01 -0.31 0.17 120.40 121.70 1xnt s VAL 68 Ca 0.05 -0.36 0.04 0.00 0.00 0.00 0.00 61.98 61.70 1xnt s VAL 68 Cb -0.12 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 1xnt s VAL 68 CO -0.00 -0.05 0.09 -0.70 0.00 0.00 0.00 175.10 174.44 1xnt s GLU 69 N 1.88 2.88 -0.05 2.72 2.12 0.67 0.32 118.70 129.24 1xnt s GLU 69 Ca 0.01 -0.74 -0.02 0.00 0.36 0.00 0.00 54.97 54.58 1xnt s GLU 69 Cb -0.16 -2.70 0.04 0.00 0.26 0.00 0.00 34.13 31.57 1xnt s GLU 69 CO -0.07 0.54 0.10 0.08 -0.54 0.00 0.00 175.26 175.37 1xnt s VAL 70 N -1.49 -0.14 0.32 3.70 1.01 -0.62 -1.01 120.40 122.17 1xnt s VAL 70 Ca 0.30 0.34 0.08 0.00 0.00 0.00 0.00 61.98 62.70 1xnt s VAL 70 Cb -0.12 -0.20 -0.04 0.00 0.00 0.00 0.00 36.38 36.03 1xnt s VAL 70 CO 0.22 0.14 0.14 -0.76 0.00 0.00 0.00 175.10 174.85 1xnt s LEU 71 N 1.90 3.35 0.16 3.92 1.02 -0.18 -1.61 118.68 127.23 1xnt s LEU 71 Ca 0.00 -0.66 0.07 0.00 0.02 0.00 0.00 54.13 53.56 1xnt s LEU 71 Cb -0.12 -1.86 -0.04 0.00 0.02 0.00 0.00 46.19 44.19 1xnt s LEU 71 CO -0.04 -0.23 -0.15 0.68 0.02 0.00 0.00 176.35 176.63 1xnt s VAL 72 N -2.36 1.53 0.00 -1.59 -7.23 -0.25 -1.44 120.40 109.06 1xnt s VAL 72 Ca 0.37 -1.93 0.00 0.00 -1.81 0.00 0.00 61.98 58.61 1xnt s VAL 72 Cb -0.04 -1.77 0.00 0.00 0.56 0.00 0.00 36.38 35.13 1xnt s VAL 72 CO 0.23 -0.47 0.00 0.61 -0.31 0.00 0.00 175.10 175.15 1xnt n GLY 73 N 0.16 -0.47 3.69 2.32 0.00 -1.09 0.32 105.19 110.13 1xnt n GLY 73 Ca -0.12 -0.98 -0.25 0.00 0.00 0.00 0.00 46.02 44.66 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 4.87 0.00 1.61 0.15 -1.26 -1.26 113.70 117.81 1xnt s SER 74 Ca 0.00 -0.42 0.12 0.00 0.70 0.00 0.00 55.95 56.35 1xnt s SER 74 Cb 0.00 -1.06 0.49 0.00 -1.71 0.00 0.00 66.02 63.74 1xnt s SER 74 CO 0.00 0.05 1.35 -1.54 1.20 0.00 0.00 173.24 174.30 1xnt n SER 75 N -0.47 1.08 -4.33 5.45 3.41 -1.26 -4.85 113.62 112.65 1xnt n SER 75 Ca -0.09 -1.83 -0.29 0.00 -0.26 0.00 0.00 58.87 56.41 1xnt n SER 75 Cb 0.56 -0.11 0.25 0.00 -0.26 0.00 0.00 64.21 64.65 1xnt n SER 75 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xnt s ALA 76 N -1.78 -0.35 0.00 7.33 0.00 -1.26 -4.35 121.76 121.35 1xnt s ALA 76 Ca 0.21 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.83 1xnt s ALA 76 Cb 0.11 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 20.07 1xnt s ALA 76 CO 0.16 -3.86 0.00 0.41 0.00 0.00 0.00 175.76 172.47 1xnt n GLY 77 N 0.53 1.48 0.00 0.00 0.00 -1.26 -4.80 105.19 101.14 1xnt n GLY 77 Ca 0.05 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 4.68 3.24 -0.02 0.00 -1.26 -5.07 105.19 106.75 1xnt n GLY 78 Ca 0.00 -0.50 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 1xnt n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xnt s ALA 79 N -1.48 4.49 0.06 4.61 0.00 -1.26 -4.93 121.76 123.25 1xnt s ALA 79 Ca 0.00 -3.81 0.01 0.00 0.00 0.00 0.00 51.96 48.15 1xnt s ALA 79 Cb 0.00 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.84 1xnt s ALA 79 CO 0.00 -2.18 0.16 0.20 0.00 0.00 0.00 175.76 173.94 1xnt s GLY 80 N 0.73 2.13 -0.07 0.00 0.00 -1.26 -5.01 107.32 103.83 1xnt s GLY 80 Ca 0.29 -0.88 0.09 0.00 0.00 0.00 0.00 44.72 44.22 1xnt s GLY 80 CO -0.10 -0.85 0.09 -1.84 0.00 0.00 0.00 173.10 170.40 1xnt n GLU 81 N 0.44 1.82 -1.33 2.90 0.00 -1.26 -4.54 120.64 118.67 1xnt n GLU 81 Ca -0.07 -0.03 -0.31 0.00 0.00 0.00 0.00 57.16 56.75 1xnt n GLU 81 Cb 0.51 -1.25 0.10 0.00 0.00 0.00 0.00 31.44 30.80 1xnt n GLU 81 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.13 178.07 1xnt n GLN 82 N -2.23 2.61 -1.52 3.44 0.00 -1.26 -4.41 117.38 114.02 1xnt n GLN 82 Ca -0.12 -3.27 -0.04 0.00 -0.00 0.00 0.00 57.00 53.57 1xnt n GLN 82 Cb 0.67 -2.25 0.09 0.00 0.00 0.00 0.00 30.24 28.76 1xnt n GLN 82 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1xnt n ASP 83 N -0.97 2.47 -4.28 1.69 2.03 -1.26 -5.06 116.55 111.18 1xnt n ASP 83 Ca 0.61 -3.21 -0.23 0.00 0.52 0.00 0.00 54.79 52.48 1xnt n ASP 83 Cb 0.92 -0.42 -0.02 0.00 -0.72 0.00 0.00 41.12 40.88 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 -0.61 -0.19 -4.86 -0.67 4.02 -1.26 -4.73 117.16 108.85 1xnt n TYR 84 Ca 0.22 -1.95 -0.29 0.00 -0.01 0.00 0.00 57.90 55.86 1xnt n TYR 84 Cb 0.88 -0.34 -0.17 0.00 -0.02 0.00 0.00 39.34 39.69 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 -3.73 2.47 -0.93 -0.72 0.41 0.15 -4.90 118.70 111.45 1xnt s GLU 85 Ca 0.17 -0.68 -0.26 0.00 -0.41 0.00 0.00 54.97 53.80 1xnt s GLU 85 Cb -0.01 -1.95 -0.15 0.00 -1.78 0.00 0.00 34.13 30.24 1xnt s GLU 85 CO 0.11 0.08 2.22 0.08 -0.49 0.00 0.00 175.26 177.26 1xnt s VAL 86 N 0.57 3.12 0.08 2.63 1.01 -1.26 -1.09 120.40 125.46 1xnt s VAL 86 Ca -0.15 -0.14 -0.29 0.00 0.00 0.00 0.00 61.98 61.40 1xnt s VAL 86 Cb -0.17 -3.57 -0.16 0.00 0.00 0.00 0.00 36.38 32.48 1xnt s VAL 86 CO 0.05 -0.23 1.66 0.25 0.00 0.00 0.00 175.10 176.83 1xnt h LEU 87 N 21.54 -0.56 -7.25 3.92 5.85 -1.83 -3.41 115.31 133.57 1xnt h LEU 87 Ca 0.03 0.03 -0.26 0.00 0.84 0.00 0.00 57.88 58.52 1xnt h LEU 87 Cb 1.00 0.16 -0.34 0.00 0.37 0.00 0.00 40.66 41.84 1xnt h LEU 87 CO 1.05 -0.36 -0.59 -1.48 -0.34 0.00 0.00 178.44 176.71 1xnt s LEU 88 N -10.14 -0.10 1.23 2.25 0.05 -0.63 -1.39 118.68 109.95 1xnt s LEU 88 Ca -0.16 0.43 -0.17 0.00 0.05 0.00 0.00 54.13 54.28 1xnt s LEU 88 Cb 0.05 0.44 0.27 0.00 -2.05 0.00 0.00 46.19 44.90 1xnt s LEU 88 CO 0.64 -0.24 0.70 0.52 -0.55 0.00 0.00 176.35 177.42 1xnt n VAL 89 N 5.25 0.00 -1.71 1.48 0.31 -1.26 -1.60 118.33 120.81 1xnt n VAL 89 Ca -0.07 -0.32 -0.43 0.00 -0.01 0.00 0.00 64.34 63.51 1xnt n VAL 89 Cb 0.50 -0.87 -0.02 0.00 -0.91 0.00 0.00 33.84 32.53 1xnt n VAL 89 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1xnt n THR 90 N -5.06 0.81 -4.00 2.52 5.66 -1.26 -4.43 114.28 108.52 1xnt n THR 90 Ca 0.04 -0.20 -0.35 0.00 -3.05 0.00 0.00 64.05 60.49 1xnt n THR 90 Cb 0.56 -1.73 -0.11 0.00 -1.55 0.00 0.00 70.33 67.50 1xnt n THR 90 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1xnt s SER 91 N 0.51 5.34 -0.25 1.09 1.04 0.15 -4.69 113.70 116.88 1xnt s SER 91 Ca 0.68 -0.04 -0.22 0.00 0.48 0.00 0.00 55.95 56.85 1xnt s SER 91 Cb -0.57 -1.92 -0.01 0.00 0.10 0.00 0.00 66.02 63.61 1xnt s SER 91 CO 0.47 0.11 0.71 -0.94 0.98 0.00 0.00 173.24 174.56 1xnt s SER 92 N 0.75 6.67 -0.12 7.02 1.04 -1.24 -1.16 113.70 126.66 1xnt s SER 92 Ca 0.03 0.83 -0.07 0.00 0.48 0.00 0.00 55.95 57.21 1xnt s SER 92 Cb -0.14 -2.37 -0.05 0.00 0.10 0.00 0.00 66.02 63.56 1xnt s SER 92 CO 0.02 -0.43 -0.18 0.49 0.98 0.00 0.00 173.24 174.13 1xnt n PHE 93 N 5.83 0.00 -3.27 5.02 3.72 0.98 -4.99 117.46 124.75 1xnt n PHE 93 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 1xnt n PHE 93 Cb 0.48 -0.45 0.00 0.00 -0.94 0.00 0.00 39.48 38.57 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 -3.67 3.11 -4.66 -1.08 2.81 -1.26 -5.06 117.12 107.32 1xnt n MET 94 Ca -0.24 0.00 -0.30 0.00 -1.81 0.00 0.00 57.70 55.35 1xnt n MET 94 Cb 0.62 0.00 -0.08 0.00 -0.71 0.00 0.00 33.22 33.05 1xnt n MET 94 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1xnt s SER 95 N 0.46 3.62 -0.01 7.83 1.04 -1.26 -4.69 113.70 120.69 1xnt s SER 95 Ca 0.00 -1.63 0.06 0.00 0.48 0.00 0.00 55.95 54.86 1xnt s SER 95 Cb 0.00 0.44 0.20 0.00 0.10 0.00 0.00 66.02 66.76 1xnt s SER 95 CO 0.00 -0.84 1.11 -0.81 0.98 0.00 0.00 173.24 173.68 1xnt n PRO 96 N -1.11 1.60 0.00 4.02 -0.04 -1.26 -3.60 135.00 134.61 1xnt n PRO 96 Ca -0.13 -0.80 0.00 0.00 -0.04 0.00 0.00 63.50 62.53 1xnt n PRO 96 Cb 0.66 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.87 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 0.14 4.07 0.13 3.54 2.88 -1.26 -4.70 113.62 118.42 1xnt n SER 97 Ca 0.07 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.74 1xnt n SER 97 Cb 0.24 0.15 0.29 0.00 -0.75 0.00 0.00 64.21 64.14 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 -0.03 -1.46 4.11 -1.85 -3.26 114.58 112.09 1xnt h GLU 98 Ca 0.00 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.44 1xnt h GLU 98 Cb 0.94 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.19 1xnt h GLU 98 CO 0.00 0.00 0.03 0.77 0.07 0.00 0.00 179.01 179.88 1xnt h SER 99 N 0.00 0.00 0.00 3.06 0.02 -1.77 -3.21 113.55 111.65 1xnt h SER 99 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1xnt h SER 99 Cb 0.82 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.36 1xnt h SER 99 CO 0.00 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.23 1xnt n ARG 100 N -3.74 0.00 -2.34 3.45 1.74 -1.23 -4.53 116.66 110.00 1xnt n ARG 100 Ca -0.02 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.03 1xnt n ARG 100 Cb 0.12 -0.63 0.09 0.00 -1.02 0.00 0.00 32.46 31.02 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 -0.32 -1.25 -0.02 0.55 2.88 -1.24 -4.75 113.62 109.48 1xnt n SER 101 Ca 0.00 -2.04 0.03 0.00 -1.33 0.00 0.00 58.87 55.53 1xnt n SER 101 Cb 0.00 0.57 -0.09 0.00 -0.75 0.00 0.00 64.21 63.94 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 -1.22 -0.52 3.22 0.46 0.00 -1.23 -5.01 105.19 100.90 1xnt n GLY 102 Ca -0.17 -0.25 0.03 0.00 0.00 0.00 0.00 46.02 45.64 1xnt n GLY 102 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xnt s SER 103 N -3.53 -0.18 -0.88 1.61 0.01 -1.21 -5.02 113.70 104.51 1xnt s SER 103 Ca -0.04 0.24 -0.04 0.00 1.31 0.00 0.00 55.95 57.41 1xnt s SER 103 Cb 0.06 1.20 0.01 0.00 0.21 0.00 0.00 66.02 67.50 1xnt s SER 103 CO 0.46 -0.03 0.62 -0.46 0.41 0.00 0.00 173.24 174.23 1xnt n ASN 104 N 4.68 -4.82 0.09 2.44 6.94 -1.26 -4.42 115.26 118.90 1xnt n ASN 104 Ca -0.07 -0.99 -0.06 0.00 -0.02 0.00 0.00 54.58 53.44 1xnt n ASN 104 Cb 0.55 -1.75 -0.02 0.00 -2.36 0.00 0.00 39.78 36.20 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 -0.57 0.05 -2.73 -0.53 0.13 -1.80 -3.40 132.00 123.16 1xnt h PRO 105 Ca -0.63 -0.06 -0.60 0.00 -0.87 0.00 0.00 66.00 63.83 1xnt h PRO 105 Cb 1.39 0.02 -0.40 0.00 0.13 0.00 0.00 31.00 32.15 1xnt h PRO 105 CO 0.39 0.89 -0.80 -0.80 -0.23 0.00 0.00 178.00 177.45 1xnt s ASN 106 N -6.81 3.02 0.44 1.44 0.02 -1.26 -1.94 114.94 109.84 1xnt s ASN 106 Ca -0.01 -3.18 0.06 0.00 -1.02 0.00 0.00 52.86 48.71 1xnt s ASN 106 Cb 0.11 -0.93 -0.05 0.00 0.02 0.00 0.00 41.25 40.40 1xnt s ASN 106 CO 0.81 -0.17 0.10 -0.60 0.02 0.00 0.00 177.10 177.26 1xnt s ARG 107 N -0.31 2.12 0.37 -0.60 3.52 -1.22 -5.00 118.95 117.84 1xnt s ARG 107 Ca 0.27 -2.05 0.04 0.00 -0.13 0.00 0.00 55.73 53.85 1xnt s ARG 107 Cb -0.06 -1.79 -0.05 0.00 -1.56 0.00 0.00 34.95 31.49 1xnt s ARG 107 CO -0.14 -0.17 0.07 0.14 -0.81 0.00 0.00 175.30 174.39 1xnt s VAL 108 N -2.70 1.09 -0.11 7.11 -7.23 -1.26 -1.66 120.40 115.64 1xnt s VAL 108 Ca 0.32 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 58.27 1xnt s VAL 108 Cb 0.05 -2.64 0.05 0.00 0.56 0.00 0.00 36.38 34.41 1xnt s VAL 108 CO 0.18 0.00 0.55 -0.60 -0.31 0.00 0.00 175.10 174.91 1xnt s ARG 109 N -3.83 0.81 0.16 4.82 6.06 -0.33 -4.83 118.95 121.80 1xnt s ARG 109 Ca 0.30 0.37 0.09 0.00 -2.50 0.00 0.00 55.73 54.00 1xnt s ARG 109 Cb 0.07 0.38 -0.04 0.00 0.06 0.00 0.00 34.95 35.42 1xnt s ARG 109 CO 0.14 -0.19 -0.20 -1.64 -2.50 0.00 0.00 175.30 170.91 1xnt s MET 110 N -0.61 1.30 0.29 5.12 -1.94 -1.26 -1.34 119.30 120.86 1xnt s MET 110 Ca -0.07 -1.38 0.10 0.00 -1.71 0.00 0.00 55.69 52.63 1xnt s MET 110 Cb -0.03 -1.48 -0.05 0.00 2.01 0.00 0.00 34.83 35.28 1xnt s MET 110 CO 0.05 0.32 -0.03 -0.06 -0.01 0.00 0.00 175.02 175.29 1xnt s PHE 111 N -1.74 2.59 0.00 -0.03 0.40 0.16 -4.94 117.98 114.42 1xnt s PHE 111 Ca 0.15 -0.30 0.00 0.00 -0.60 0.00 0.00 56.93 56.18 1xnt s PHE 111 Cb -0.07 -1.25 0.00 0.00 0.51 0.00 0.00 43.02 42.21 1xnt s PHE 111 CO 0.07 0.59 0.00 0.41 0.70 0.00 0.00 175.22 176.99 1xnt n GLY 112 N -0.88 5.29 0.20 4.36 0.00 -1.26 0.06 105.19 112.96 1xnt n GLY 112 Ca -0.05 -1.42 -0.18 0.00 0.00 0.00 0.00 46.02 44.36 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 0.71 0.00 1.61 0.13 -1.45 -3.15 132.00 129.85 1xnt h PRO 113 Ca 0.00 -0.67 -0.05 0.00 -0.87 0.00 0.00 66.00 64.41 1xnt h PRO 113 Cb 0.00 0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.29 1xnt h PRO 113 CO 0.00 1.26 -0.23 0.22 -0.23 0.00 0.00 178.00 179.02 1xnt h ASP 114 N 0.44 0.00 -0.15 1.44 3.58 -1.97 -1.65 116.42 118.11 1xnt h ASP 114 Ca -0.09 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.36 1xnt h ASP 114 Cb 1.55 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.60 1xnt h ASP 114 CO 0.18 0.23 0.00 0.29 -2.88 0.00 0.00 179.24 177.06 1xnt n LYS 115 N -4.01 1.74 -4.98 0.28 5.02 -1.20 -4.85 118.16 110.15 1xnt n LYS 115 Ca -0.02 -1.11 -0.27 0.00 -2.02 0.00 0.00 58.31 54.90 1xnt n LYS 115 Cb 0.31 -1.41 -0.16 0.00 -0.02 0.00 0.00 35.03 33.75 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 -1.62 2.03 0.21 -0.35 0.05 -0.62 -4.21 118.68 114.18 1xnt s LEU 116 Ca 0.33 -0.36 -0.32 0.00 0.05 0.00 0.00 54.13 53.83 1xnt s LEU 116 Cb 0.18 -1.03 -0.12 0.00 -2.05 0.00 0.00 46.19 43.16 1xnt s LEU 116 CO 0.27 0.24 1.70 0.55 -0.55 0.00 0.00 176.35 178.57 1xnt n VAL 117 N 2.62 0.11 0.10 1.48 3.14 -0.48 -4.83 118.33 120.47 1xnt n VAL 117 Ca -0.15 -0.03 -0.04 0.00 -2.96 0.00 0.00 64.34 61.16 1xnt n VAL 117 Cb 0.53 -1.96 0.06 0.00 -1.06 0.00 0.00 33.84 31.41 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 6.52 0.06 0.00 1.45 3.08 -1.93 0.82 114.38 124.38 1xnt h ARG 118 Ca -0.44 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 59.55 1xnt h ARG 118 Cb 1.21 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.27 1xnt h ARG 118 CO 0.94 0.79 -0.02 0.00 -1.07 0.00 0.00 179.97 180.60 1xnt h ALA 119 N 1.19 1.03 0.00 0.04 0.00 -2.00 -3.17 119.26 116.35 1xnt h ALA 119 Ca -0.01 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1xnt h ALA 119 Cb 1.33 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1xnt h ALA 119 CO 0.10 0.03 -1.23 0.00 0.00 0.00 0.00 179.25 178.15 1xnt n ALA 120 N -2.11 2.42 -0.34 0.00 0.00 -1.13 -4.60 120.51 114.75 1xnt n ALA 120 Ca -0.01 -0.17 0.18 0.00 0.00 0.00 0.00 53.44 53.44 1xnt n ALA 120 Cb 0.24 0.43 0.40 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 -0.09 1.84 0.00 0.00 0.00 0.55 0.81 119.26 122.36 1xnt h ALA 121 Ca -0.10 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1xnt h ALA 121 Cb 1.11 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1xnt h ALA 121 CO -0.05 -0.29 0.00 -0.85 0.00 0.00 0.00 179.25 178.06 1xnt n GLU 122 N -4.84 0.94 -3.39 0.00 -0.00 -1.20 -1.10 120.64 111.06 1xnt n GLU 122 Ca 0.26 0.00 -0.38 0.00 -0.00 0.00 0.00 57.16 57.05 1xnt n GLU 122 Cb 0.75 -1.50 -0.06 0.00 -0.00 0.00 0.00 31.44 30.63 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 -2.01 4.18 -0.23 3.44 1.02 0.28 -4.84 119.74 121.57 1xnt s LYS 123 Ca 0.45 0.44 -0.29 0.00 0.02 0.00 0.00 55.97 56.60 1xnt s LYS 123 Cb 0.21 -3.34 -0.03 0.00 -0.52 0.00 0.00 37.83 34.15 1xnt s LYS 123 CO 0.36 0.39 1.74 1.03 -0.92 0.00 0.00 175.35 177.95 1xnt s ARG 124 N -0.14 3.64 0.33 1.68 0.52 -1.26 -4.31 118.95 119.41 1xnt s ARG 124 Ca 0.25 1.70 0.09 0.00 -0.52 0.00 0.00 55.73 57.25 1xnt s ARG 124 Cb -0.16 -4.12 -0.05 0.00 0.52 0.00 0.00 34.95 31.14 1xnt s ARG 124 CO 0.12 -1.48 -0.02 -1.58 0.02 0.00 0.00 175.30 172.36 1xnt s TRP 125 N 5.85 2.53 0.00 -0.53 0.52 0.16 -4.68 118.94 122.79 1xnt s TRP 125 Ca 0.77 -0.41 0.00 0.00 0.02 0.00 0.00 56.10 56.49 1xnt s TRP 125 Cb -0.26 -1.40 0.00 0.00 -1.15 0.00 0.00 33.47 30.66 1xnt s TRP 125 CO 0.32 0.52 0.49 -0.40 0.02 0.00 0.00 176.95 177.90 1xnt n ASP 126 N -0.91 0.43 -4.03 2.95 5.68 -0.54 -0.56 116.55 119.57 1xnt n ASP 126 Ca -0.05 -1.18 -0.12 0.00 -0.50 0.00 0.00 54.79 52.95 1xnt n ASP 126 Cb 0.62 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.48 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 -0.18 0.44 -0.01 0.11 0.52 -0.39 -0.70 118.95 118.74 1xnt s ARG 127 Ca 0.00 -0.67 0.02 0.00 -0.52 0.00 0.00 55.73 54.55 1xnt s ARG 127 Cb 0.00 -0.16 -0.00 0.00 0.52 0.00 0.00 34.95 35.31 1xnt s ARG 127 CO 0.00 0.02 -0.06 0.54 0.02 0.00 0.00 175.30 175.82 1xnt s VAL 128 N -1.33 0.53 -0.47 3.52 0.11 -0.53 -2.65 120.40 119.57 1xnt s VAL 128 Ca -0.11 -0.26 -0.10 0.00 -2.93 0.00 0.00 61.98 58.58 1xnt s VAL 128 Cb -0.10 -0.46 0.11 0.00 -1.53 0.00 0.00 36.38 34.40 1xnt s VAL 128 CO -0.00 0.16 0.34 -0.75 -3.33 0.00 0.00 175.10 171.52 1xnt s LYS 129 N 0.02 2.53 -0.29 1.54 2.36 -0.52 -0.47 119.74 124.90 1xnt s LYS 129 Ca 0.00 -1.71 -0.14 0.00 -2.55 0.00 0.00 55.97 51.57 1xnt s LYS 129 Cb -0.05 -3.93 -0.03 0.00 -1.05 0.00 0.00 37.83 32.77 1xnt s LYS 129 CO -0.00 -1.16 0.33 0.42 1.55 0.00 0.00 175.35 176.48 1xnt s ILE 130 N 1.39 5.21 -0.15 5.43 -1.09 -0.17 -1.01 121.20 130.80 1xnt s ILE 130 Ca 0.05 0.33 0.01 0.00 -2.23 0.00 0.00 60.65 58.81 1xnt s ILE 130 Cb -0.26 -3.69 0.02 0.00 -1.58 0.00 0.00 42.46 36.95 1xnt s ILE 130 CO -0.00 0.11 -0.18 -0.69 -1.23 0.00 0.00 174.94 172.95 1xnt s VAL 131 N 1.98 1.85 -0.13 2.92 1.01 -0.18 0.50 120.40 128.35 1xnt s VAL 131 Ca 0.12 -0.83 -0.07 0.00 0.00 0.00 0.00 61.98 61.21 1xnt s VAL 131 Cb -0.16 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 1xnt s VAL 131 CO 0.11 0.51 0.13 0.00 0.00 0.00 0.00 175.10 175.84 1xnt s SER 133 N -0.87 0.32 0.00 0.00 0.15 0.13 -1.05 113.70 112.37 1xnt s SER 133 Ca 0.14 -0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.77 1xnt s SER 133 Cb -0.12 -0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.04 1xnt s SER 133 CO 0.03 -0.08 0.00 1.67 1.20 0.00 0.00 173.24 176.07 1xnt n GLN 134 N 3.89 0.00 -2.71 5.44 -0.06 -1.20 -0.62 117.38 122.12 1xnt n GLN 134 Ca -0.24 0.00 -0.42 0.00 -2.00 0.00 0.00 57.00 54.34 1xnt n GLN 134 Cb 0.52 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.67 1xnt n GLN 134 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 1xnt s PRO 135 N -2.24 3.32 -0.06 3.69 0.04 -1.26 -4.48 135.00 134.02 1xnt s PRO 135 Ca 0.00 -0.20 -0.04 0.00 0.04 0.00 0.00 61.00 60.80 1xnt s PRO 135 Cb 0.00 -4.09 -0.02 0.00 0.04 0.00 0.00 34.50 30.42 1xnt s PRO 135 CO 0.00 -1.73 0.20 1.88 0.04 0.00 0.00 177.00 177.40 1xnt h TYR 136 N 9.56 -0.14 -1.16 0.56 0.05 -1.69 -3.43 116.97 120.73 1xnt h TYR 136 Ca -0.27 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.51 1xnt h TYR 136 Cb 1.06 0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.85 1xnt h TYR 136 CO 1.00 -0.08 0.00 0.45 -1.05 0.00 0.00 178.16 178.48 1xnt n SER 137 N -4.17 0.00 -1.89 3.88 2.88 -1.25 -4.87 113.62 108.20 1xnt n SER 137 Ca -0.02 -0.16 0.01 0.00 -1.33 0.00 0.00 58.87 57.37 1xnt n SER 137 Cb 0.06 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.57 1xnt n SER 137 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1xnt n LYS 138 N 0.00 1.03 0.00 -1.46 5.02 -1.26 -4.16 118.16 117.33 1xnt n LYS 138 Ca 0.00 -2.82 0.00 0.00 -2.02 0.00 0.00 58.31 53.47 1xnt n LYS 138 Cb 0.00 -0.89 0.00 0.00 -0.02 0.00 0.00 35.03 34.12 1xnt n LYS 138 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1xnt n ASP 139 N -0.14 0.00 -4.93 4.39 5.75 -1.26 -4.72 116.55 115.64 1xnt n ASP 139 Ca 0.11 0.00 -0.26 0.00 -0.01 0.00 0.00 54.79 54.63 1xnt n ASP 139 Cb 0.97 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 41.04 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 -0.60 6.34 0.92 -1.12 1.04 -1.26 -4.46 113.70 114.56 1xnt s SER 140 Ca 0.00 0.57 -0.14 0.00 0.48 0.00 0.00 55.95 56.86 1xnt s SER 140 Cb 0.00 -2.09 0.17 0.00 0.10 0.00 0.00 66.02 64.21 1xnt s SER 140 CO 0.00 -0.28 1.28 -2.16 0.98 0.00 0.00 173.24 173.05 1xnt s PRO 141 N -4.09 0.94 0.00 4.02 0.04 -1.26 -3.99 135.00 130.66 1xnt s PRO 141 Ca 0.42 -0.37 0.00 0.00 0.04 0.00 0.00 61.00 61.09 1xnt s PRO 141 Cb -0.10 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1xnt s PRO 141 CO 0.35 -2.21 0.00 1.19 0.04 0.00 0.00 177.00 176.37 1xnt n PHE 142 N -3.63 -0.20 0.00 0.56 3.72 -1.26 -4.88 117.46 111.77 1xnt n PHE 142 Ca 0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.54 1xnt n PHE 142 Cb 0.60 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.14 1xnt n PHE 142 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xnt n GLY 143 N 0.00 -0.73 3.44 1.37 0.00 -1.24 -1.21 105.19 106.82 1xnt n GLY 143 Ca 0.00 0.25 -0.29 0.00 0.00 0.00 0.00 46.02 45.98 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 2.53 0.17 0.99 1.02 -1.21 -1.24 118.68 120.94 1xnt s LEU 144 Ca 0.00 -0.64 0.14 0.00 0.02 0.00 0.00 54.13 53.65 1xnt s LEU 144 Cb 0.00 -1.40 -0.05 0.00 0.02 0.00 0.00 46.19 44.76 1xnt s LEU 144 CO 0.00 0.18 1.19 0.28 0.02 0.00 0.00 176.35 178.02 1xnt h SER 145 N 3.81 0.00 -4.99 2.29 0.02 -1.44 0.10 113.55 113.34 1xnt h SER 145 Ca -0.50 0.00 0.35 0.00 -0.84 0.00 0.00 61.79 60.79 1xnt h SER 145 Cb 1.17 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.54 1xnt h SER 145 CO 0.43 0.62 0.95 0.72 -1.14 0.00 0.00 176.83 178.41 1xnt s PHE 146 N -2.90 -0.02 -0.01 3.45 -0.12 -1.25 -4.51 117.98 112.63 1xnt s PHE 146 Ca 0.01 0.00 -0.00 0.00 -0.05 0.00 0.00 56.93 56.89 1xnt s PHE 146 Cb 0.08 0.51 0.01 0.00 -0.63 0.00 0.00 43.02 42.99 1xnt s PHE 146 CO 0.78 -0.07 0.01 0.14 -0.05 0.00 0.00 175.22 176.03 1xnt s VAL 147 N -2.12 -0.01 -0.01 -2.49 -7.23 -1.26 -1.71 120.40 105.56 1xnt s VAL 147 Ca 0.13 0.04 -0.11 0.00 -1.81 0.00 0.00 61.98 60.22 1xnt s VAL 147 Cb 0.03 -0.03 0.01 0.00 0.56 0.00 0.00 36.38 36.95 1xnt s VAL 147 CO -0.04 0.01 0.23 0.00 -0.31 0.00 0.00 175.10 174.99 1xnt s ARG 148 N 0.18 0.57 0.20 4.82 1.70 0.17 -4.92 118.95 121.68 1xnt s ARG 148 Ca -0.01 -0.26 0.07 0.00 -0.47 0.00 0.00 55.73 55.06 1xnt s ARG 148 Cb -0.02 0.25 -0.05 0.00 -0.57 0.00 0.00 34.95 34.56 1xnt s ARG 148 CO -0.01 -0.15 -0.12 -0.06 -1.08 0.00 0.00 175.30 173.89 1xnt s PHE 149 N -1.28 1.64 -0.24 5.89 0.08 -1.26 0.48 117.98 123.31 1xnt s PHE 149 Ca -0.13 -0.65 -0.08 0.00 0.12 0.00 0.00 56.93 56.19 1xnt s PHE 149 Cb -0.06 -0.81 0.10 0.00 -0.57 0.00 0.00 43.02 41.68 1xnt s PHE 149 CO 0.03 0.27 0.51 -1.01 -0.10 0.00 0.00 175.22 174.92 1xnt s HIS 150 N -3.07 -1.00 -2.09 0.36 3.76 0.13 -2.42 115.29 110.96 1xnt s HIS 150 Ca 0.23 1.83 0.31 0.00 -0.15 0.00 0.00 55.06 57.28 1xnt s HIS 150 Cb 0.01 0.49 1.76 0.00 1.11 0.00 0.00 32.58 35.95 1xnt s HIS 150 CO 0.06 -0.55 2.14 0.45 -0.85 0.00 0.00 174.74 176.00