#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nqu s GLN 2 N 0.00 4.46 -0.10 2.12 -0.21 -1.26 -5.03 119.66 119.64 1nqu s GLN 2 Ca 0.00 1.56 0.03 0.00 0.02 0.00 0.00 55.36 56.96 1nqu s GLN 2 Cb 0.00 -3.47 0.01 0.00 1.00 0.00 0.00 33.01 30.55 1nqu s GLN 2 CO 0.00 -0.24 -0.18 0.42 -2.12 0.00 0.00 175.29 173.17 1nqu s ILE 3 N 1.48 1.63 -0.09 1.08 1.01 -1.26 -5.12 121.20 119.92 1nqu s ILE 3 Ca 0.54 -0.74 0.03 0.00 0.00 0.00 0.00 60.65 60.47 1nqu s ILE 3 Cb -0.23 -1.45 -0.01 0.00 0.01 0.00 0.00 42.46 40.77 1nqu s ILE 3 CO 0.25 0.46 -0.18 -0.31 0.00 0.00 0.00 174.94 175.16 1nqu s TYR 4 N 0.71 2.66 0.18 3.97 1.51 -1.26 -5.12 117.35 120.00 1nqu s TYR 4 Ca -0.12 -0.64 -0.15 0.00 -1.01 0.00 0.00 57.07 55.15 1nqu s TYR 4 Cb -0.16 -1.72 0.02 0.00 -0.11 0.00 0.00 41.96 39.99 1nqu s TYR 4 CO 0.03 -0.17 0.45 -1.83 -1.11 0.00 0.00 175.55 172.91 1nqu s GLU 5 N 0.01 1.28 -0.14 -0.62 -1.05 -1.26 -5.11 118.70 111.80 1nqu s GLU 5 Ca -0.06 -0.91 -0.03 0.00 -0.15 0.00 0.00 54.97 53.82 1nqu s GLU 5 Cb -0.15 0.48 -0.03 0.00 -0.44 0.00 0.00 34.13 33.99 1nqu s GLU 5 CO 0.05 -0.52 -0.03 0.20 0.95 0.00 0.00 175.26 175.91 1nqu s GLY 6 N -2.88 1.75 1.08 -3.83 0.00 -1.26 -4.43 107.32 97.75 1nqu s GLY 6 Ca 0.10 -0.81 -0.17 0.00 0.00 0.00 0.00 44.72 43.83 1nqu s GLY 6 CO -0.04 -0.17 1.18 0.54 0.00 0.00 0.00 173.10 174.62 1nqu s LYS 7 N 0.12 -0.26 -0.00 2.90 1.02 -1.26 -4.84 119.74 117.41 1nqu s LYS 7 Ca -0.00 -0.10 0.10 0.00 0.02 0.00 0.00 55.97 55.99 1nqu s LYS 7 Cb -0.13 -1.71 0.29 0.00 -0.52 0.00 0.00 37.83 35.75 1nqu s LYS 7 CO 0.02 -3.07 1.24 1.28 -0.92 0.00 0.00 175.35 173.91 1nqu n LEU 8 N -4.30 2.87 -4.76 3.17 4.77 -1.26 -4.10 117.00 113.40 1nqu n LEU 8 Ca 0.12 -2.03 -0.39 0.00 -0.03 0.00 0.00 56.01 53.68 1nqu n LEU 8 Cb 0.59 -0.22 -0.05 0.00 -2.33 0.00 0.00 43.42 41.41 1nqu n LEU 8 CO 0.48 0.71 0.41 0.42 -1.33 0.00 0.00 177.39 178.08 1nqu s THR 9 N -1.05 4.72 -0.48 -5.08 -4.23 -1.26 -4.86 115.64 103.40 1nqu s THR 9 Ca 0.22 1.51 0.13 0.00 -1.18 0.00 0.00 61.69 62.37 1nqu s THR 9 Cb 0.12 -4.06 0.39 0.00 1.34 0.00 0.00 72.50 70.29 1nqu s THR 9 CO 0.14 0.42 1.31 0.00 -0.54 0.00 0.00 174.62 175.95 1nqu n ALA 10 N 2.51 2.55 -1.66 3.99 0.00 0.74 -4.98 120.51 123.67 1nqu n ALA 10 Ca -0.05 -1.76 -0.47 0.00 0.00 0.00 0.00 53.44 51.16 1nqu n ALA 10 Cb 0.50 -0.53 -0.05 0.00 0.00 0.00 0.00 19.45 19.37 1nqu n ALA 10 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1nqu n GLU 11 N -0.13 1.97 -0.38 0.00 2.13 -1.23 -1.65 120.64 121.34 1nqu n GLU 11 Ca 0.16 0.71 0.00 0.00 0.66 0.00 0.00 57.16 58.69 1nqu n GLU 11 Cb 0.64 -2.46 0.00 0.00 0.27 0.00 0.00 31.44 29.89 1nqu n GLU 11 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1nqu n GLY 12 N 3.32 2.22 3.82 8.31 0.00 -1.26 -4.99 105.19 116.61 1nqu n GLY 12 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1nqu n GLY 12 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nqu s LEU 13 N 0.00 4.04 -0.11 0.99 1.43 -0.66 -5.06 118.68 119.31 1nqu s LEU 13 Ca 0.00 1.60 0.02 0.00 -1.03 0.00 0.00 54.13 54.72 1nqu s LEU 13 Cb 0.00 -4.32 0.01 0.00 0.03 0.00 0.00 46.19 41.91 1nqu s LEU 13 CO 0.00 -0.27 -0.16 -0.13 0.23 0.00 0.00 176.35 176.02 1nqu s ARG 14 N -2.94 2.25 0.03 1.70 0.52 -1.26 -4.59 118.95 114.66 1nqu s ARG 14 Ca 0.58 -0.58 0.09 0.00 -0.52 0.00 0.00 55.73 55.30 1nqu s ARG 14 Cb -0.11 -1.89 -0.03 0.00 0.52 0.00 0.00 34.95 33.45 1nqu s ARG 14 CO 0.16 -0.04 -0.25 -0.06 0.02 0.00 0.00 175.30 175.13 1nqu s PHE 15 N 0.91 2.24 -0.12 -0.53 0.40 -0.77 -0.48 117.98 119.63 1nqu s PHE 15 Ca -0.08 -0.41 -0.04 0.00 -0.60 0.00 0.00 56.93 55.80 1nqu s PHE 15 Cb -0.15 -1.37 -0.03 0.00 0.51 0.00 0.00 43.02 41.98 1nqu s PHE 15 CO -0.00 0.08 0.02 0.20 0.70 0.00 0.00 175.22 176.21 1nqu s GLY 16 N -1.05 1.87 -0.10 4.36 0.00 -0.52 -0.74 107.32 111.13 1nqu s GLY 16 Ca 0.11 -0.78 0.04 0.00 0.00 0.00 0.00 44.72 44.08 1nqu s GLY 16 CO 0.01 -0.34 -0.22 -0.42 0.00 0.00 0.00 173.10 172.14 1nqu s ILE 17 N -0.43 1.88 -0.21 0.90 1.01 0.94 -0.26 121.20 125.03 1nqu s ILE 17 Ca 0.08 -0.91 -0.02 0.00 0.00 0.00 0.00 60.65 59.80 1nqu s ILE 17 Cb -0.12 -1.64 -0.00 0.00 0.01 0.00 0.00 42.46 40.71 1nqu s ILE 17 CO 0.02 0.52 -0.09 -0.69 0.00 0.00 0.00 174.94 174.70 1nqu s VAL 18 N 0.44 2.98 -0.08 2.92 1.01 -0.51 -0.46 120.40 126.70 1nqu s VAL 18 Ca -0.17 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.19 1nqu s VAL 18 Cb -0.17 -2.33 0.02 0.00 0.00 0.00 0.00 36.38 33.89 1nqu s VAL 18 CO 0.07 0.46 -0.11 0.00 0.00 0.00 0.00 175.10 175.53 1nqu s ALA 19 N 1.39 1.26 0.57 5.51 0.00 -0.23 -0.58 121.76 129.68 1nqu s ALA 19 Ca 0.05 -0.44 -0.10 0.00 0.00 0.00 0.00 51.96 51.47 1nqu s ALA 19 Cb -0.14 -0.66 -0.04 0.00 0.00 0.00 0.00 23.12 22.28 1nqu s ALA 19 CO -0.06 -0.05 0.95 -1.54 0.00 0.00 0.00 175.76 175.07 1nqu s SER 20 N 0.98 6.28 0.03 0.00 1.04 -0.89 -1.93 113.70 119.22 1nqu s SER 20 Ca -0.09 1.29 0.20 0.00 0.48 0.00 0.00 55.95 57.83 1nqu s SER 20 Cb -0.15 -2.41 -0.18 0.00 0.10 0.00 0.00 66.02 63.39 1nqu s SER 20 CO -0.00 -0.75 0.67 0.54 0.98 0.00 0.00 173.24 174.67 1nqu n ARG 21 N -2.48 0.64 -1.75 4.02 1.74 0.26 -4.76 116.66 114.34 1nqu n ARG 21 Ca 0.04 0.05 -0.42 0.00 -0.77 0.00 0.00 57.85 56.76 1nqu n ARG 21 Cb 0.54 -1.69 -0.01 0.00 -1.02 0.00 0.00 32.46 30.28 1nqu n ARG 21 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1nqu n PHE 22 N -2.64 2.87 -3.14 -1.55 7.35 -0.45 -1.41 117.46 118.48 1nqu n PHE 22 Ca -0.09 0.28 -0.22 0.00 -0.76 0.00 0.00 57.45 56.65 1nqu n PHE 22 Cb 0.74 -2.59 0.05 0.00 0.35 0.00 0.00 39.48 38.03 1nqu n PHE 22 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1nqu n ASN 23 N 1.98 -6.07 0.24 -2.13 3.02 -1.26 -4.53 115.26 106.50 1nqu n ASN 23 Ca 0.08 -0.34 0.13 0.00 -0.03 0.00 0.00 54.58 54.42 1nqu n ASN 23 Cb 0.37 -4.83 0.76 0.00 -0.61 0.00 0.00 39.78 35.47 1nqu n ASN 23 CO 0.00 0.00 0.00 1.12 -2.62 0.00 0.00 177.26 175.76 1nqu h HIS 24 N -1.69 0.00 0.00 3.10 2.07 -1.53 -0.39 115.15 116.71 1nqu h HIS 24 Ca -0.52 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 56.98 1nqu h HIS 24 Cb 1.36 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.33 1nqu h HIS 24 CO 0.50 0.00 -0.09 0.00 -3.07 0.00 0.00 177.93 175.27 1nqu h ALA 25 N 1.93 1.45 0.05 6.11 0.00 -1.90 0.14 119.26 127.04 1nqu h ALA 25 Ca 0.04 -0.08 -0.35 0.00 0.00 0.00 0.00 54.91 54.52 1nqu h ALA 25 Cb 0.19 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1nqu h ALA 25 CO -0.00 0.11 -2.01 1.28 0.00 0.00 0.00 179.25 178.63 1nqu n LEU 26 N -3.84 2.41 -0.36 0.00 4.77 -0.27 -4.25 117.00 115.45 1nqu n LEU 26 Ca -0.02 0.21 0.01 0.00 -0.03 0.00 0.00 56.01 56.18 1nqu n LEU 26 Cb 0.18 -0.99 0.16 0.00 -2.33 0.00 0.00 43.42 40.44 1nqu n LEU 26 CO 0.30 0.68 1.25 0.58 -1.33 0.00 0.00 177.39 178.88 1nqu h VAL 27 N -0.39 1.10 -0.29 4.08 2.07 -0.96 -1.44 116.25 120.43 1nqu h VAL 27 Ca -0.49 -0.40 0.01 0.00 0.82 0.00 0.00 66.70 66.64 1nqu h VAL 27 Cb 1.75 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1nqu h VAL 27 CO -0.11 0.21 0.19 0.44 0.02 0.00 0.00 177.57 178.32 1nqu h ASP 28 N 1.16 0.32 -0.46 0.57 3.32 -0.94 0.19 116.42 120.59 1nqu h ASP 28 Ca 0.41 -0.01 -0.13 0.00 0.02 0.00 0.00 57.03 57.32 1nqu h ASP 28 Cb 0.12 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1nqu h ASP 28 CO -0.16 0.23 -0.23 0.03 -1.72 0.00 0.00 179.24 177.39 1nqu h ARG 29 N 0.38 0.98 -0.85 3.56 2.47 -1.45 -1.93 114.38 117.54 1nqu h ARG 29 Ca 0.11 -0.42 -0.01 0.00 -1.26 0.00 0.00 59.98 58.39 1nqu h ARG 29 Cb -0.03 -0.03 -0.04 0.00 -1.65 0.00 0.00 29.97 28.22 1nqu h ARG 29 CO -0.02 1.10 0.49 -0.07 0.56 0.00 0.00 179.97 182.02 1nqu h LEU 30 N 0.84 1.04 -0.50 3.04 3.38 -0.73 -1.10 115.31 121.27 1nqu h LEU 30 Ca 0.11 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1nqu h LEU 30 Cb 0.81 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1nqu h LEU 30 CO 0.07 0.82 0.11 0.58 0.09 0.00 0.00 178.44 180.11 1nqu h VAL 31 N 1.17 1.24 -0.67 1.22 2.07 -0.97 -0.54 116.25 119.78 1nqu h VAL 31 Ca 0.30 -0.87 0.05 0.00 0.82 0.00 0.00 66.70 67.00 1nqu h VAL 31 Cb -0.01 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 30.56 1nqu h VAL 31 CO -0.05 0.31 0.39 -0.33 0.02 0.00 0.00 177.57 177.91 1nqu h GLU 32 N 0.69 0.70 -0.47 1.57 5.08 -1.03 -1.47 114.58 119.65 1nqu h GLU 32 Ca 0.16 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 1nqu h GLU 32 Cb 0.35 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1nqu h GLU 32 CO 0.00 0.46 0.16 0.78 -1.00 0.00 0.00 179.01 179.42 1nqu h GLY 33 N 0.72 0.77 0.93 -3.84 0.00 -0.76 -1.45 103.07 99.44 1nqu h GLY 33 Ca 0.29 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 1nqu h GLY 33 CO -0.16 0.42 0.14 0.00 0.00 0.00 0.00 176.54 176.94 1nqu h ALA 34 N 1.01 0.43 -0.38 3.60 0.00 -0.73 -0.47 119.26 122.73 1nqu h ALA 34 Ca 0.15 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1nqu h ALA 34 Cb 0.24 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1nqu h ALA 34 CO -0.01 0.02 0.07 0.82 0.00 0.00 0.00 179.25 180.15 1nqu h ILE 35 N 0.40 1.24 -0.61 0.00 2.04 -1.20 -1.79 117.51 117.59 1nqu h ILE 35 Ca 0.11 -0.84 0.01 0.00 1.00 0.00 0.00 64.86 65.15 1nqu h ILE 35 Cb 0.16 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 1nqu h ILE 35 CO -0.01 0.28 0.39 -0.78 0.00 0.00 0.00 178.15 178.04 1nqu h ASP 36 N 0.47 0.67 -0.44 1.72 3.58 -1.12 -0.42 116.42 120.88 1nqu h ASP 36 Ca 0.12 -0.01 0.02 0.00 0.42 0.00 0.00 57.03 57.58 1nqu h ASP 36 Cb 0.35 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 41.21 1nqu h ASP 36 CO 0.01 0.48 0.25 0.00 -2.88 0.00 0.00 179.24 177.10 1nqu h ILE 38 N 0.51 0.85 -0.45 0.00 2.04 -0.84 -2.30 117.51 117.32 1nqu h ILE 38 Ca 0.18 -0.20 -0.05 0.00 1.00 0.00 0.00 64.86 65.79 1nqu h ILE 38 Cb 0.02 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 1nqu h ILE 38 CO -0.09 0.05 0.10 0.58 0.00 0.00 0.00 178.15 178.79 1nqu h VAL 39 N -0.36 1.24 0.00 1.67 2.07 -0.94 -0.37 116.25 119.56 1nqu h VAL 39 Ca -0.03 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.66 1nqu h VAL 39 Cb 0.28 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1nqu h VAL 39 CO 0.04 0.30 0.00 0.54 0.02 0.00 0.00 177.57 178.47 1nqu n ARG 40 N -4.50 0.03 -0.10 1.57 1.74 -0.29 -1.63 116.66 113.49 1nqu n ARG 40 Ca 0.00 0.06 0.10 0.00 -0.77 0.00 0.00 57.85 57.24 1nqu n ARG 40 Cb 0.22 -1.54 0.33 0.00 -1.02 0.00 0.00 32.46 30.45 1nqu n ARG 40 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1nqu n HIS 41 N -1.59 0.27 0.00 -1.55 8.25 -0.87 -4.93 115.22 114.80 1nqu n HIS 41 Ca 0.06 -0.14 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 1nqu n HIS 41 Cb 0.33 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.44 1nqu n HIS 41 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nqu n GLY 42 N 1.13 0.66 3.80 -1.41 0.00 -0.64 -0.19 105.19 108.55 1nqu n GLY 42 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1nqu n GLY 42 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nqu s GLY 43 N -1.30 2.53 0.07 -0.02 0.00 -0.18 -3.53 107.32 104.89 1nqu s GLY 43 Ca 0.00 0.56 -0.20 0.00 0.00 0.00 0.00 44.72 45.08 1nqu s GLY 43 CO 0.00 0.89 0.58 0.50 0.00 0.00 0.00 173.10 175.08 1nqu s ARG 44 N -3.04 4.23 0.45 2.90 0.52 -1.26 -4.10 118.95 118.65 1nqu s ARG 44 Ca 0.63 0.77 0.13 0.00 -0.52 0.00 0.00 55.73 56.74 1nqu s ARG 44 Cb -0.15 -3.25 1.00 0.00 0.52 0.00 0.00 34.95 33.07 1nqu s ARG 44 CO 0.19 0.62 2.01 1.05 0.02 0.00 0.00 175.30 179.19 1nqu h GLU 45 N 4.60 0.08 0.00 3.54 -0.00 -1.95 -0.46 114.58 120.38 1nqu h GLU 45 Ca -0.49 -0.01 0.00 0.00 -0.00 0.00 0.00 59.36 58.86 1nqu h GLU 45 Cb 1.21 -0.01 0.00 0.00 -0.00 0.00 0.00 28.75 29.95 1nqu h GLU 45 CO 0.64 0.20 0.00 0.93 -0.00 0.00 0.00 179.01 180.78 1nqu h GLU 46 N 0.08 0.00 -0.63 1.06 3.07 -2.00 -2.00 114.58 114.16 1nqu h GLU 46 Ca 0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1nqu h GLU 46 Cb 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.16 1nqu h GLU 46 CO 0.02 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.38 1nqu n ASP 47 N -2.74 3.52 -4.79 1.42 8.00 -0.18 -4.84 116.55 116.92 1nqu n ASP 47 Ca -0.01 -2.09 -0.36 0.00 0.71 0.00 0.00 54.79 53.04 1nqu n ASP 47 Cb 0.16 -0.44 -0.07 0.00 -0.02 0.00 0.00 41.12 40.75 1nqu n ASP 47 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1nqu s ILE 48 N -1.33 5.39 -0.19 0.53 1.01 -0.75 -1.85 121.20 124.00 1nqu s ILE 48 Ca 0.42 0.17 -0.01 0.00 0.00 0.00 0.00 60.65 61.23 1nqu s ILE 48 Cb 0.23 -3.40 0.00 0.00 0.01 0.00 0.00 42.46 39.31 1nqu s ILE 48 CO 0.26 0.53 -0.12 -0.89 0.00 0.00 0.00 174.94 174.73 1nqu s THR 49 N -0.34 2.82 -0.19 2.92 2.01 0.08 -4.99 115.64 117.95 1nqu s THR 49 Ca 0.11 -0.69 -0.06 0.00 0.31 0.00 0.00 61.69 61.36 1nqu s THR 49 Cb -0.12 -2.24 -0.03 0.00 0.01 0.00 0.00 72.50 70.13 1nqu s THR 49 CO 0.01 0.48 0.02 -0.22 -0.69 0.00 0.00 174.62 174.22 1nqu s LEU 50 N 1.24 3.45 -0.14 4.42 2.96 -1.26 -0.04 118.68 129.30 1nqu s LEU 50 Ca 0.03 -0.10 0.02 0.00 -0.22 0.00 0.00 54.13 53.86 1nqu s LEU 50 Cb -0.14 -1.87 0.00 0.00 0.50 0.00 0.00 46.19 44.68 1nqu s LEU 50 CO -0.05 0.11 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.20 1nqu s VAL 51 N 0.71 2.28 -0.10 1.68 1.01 0.39 -4.97 120.40 121.40 1nqu s VAL 51 Ca 0.01 -0.91 -0.07 0.00 0.00 0.00 0.00 61.98 61.01 1nqu s VAL 51 Cb -0.14 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 1nqu s VAL 51 CO 0.02 0.54 0.16 -0.13 0.00 0.00 0.00 175.10 175.69 1nqu s ARG 52 N 0.73 3.47 0.13 2.72 0.52 -1.26 -1.07 118.95 124.19 1nqu s ARG 52 Ca -0.08 -0.12 0.02 0.00 -0.52 0.00 0.00 55.73 55.03 1nqu s ARG 52 Cb -0.16 -3.18 -0.04 0.00 0.52 0.00 0.00 34.95 32.09 1nqu s ARG 52 CO 0.01 0.76 -0.04 0.14 0.02 0.00 0.00 175.30 176.18 1nqu s VAL 53 N -1.07 0.72 0.08 3.52 -7.23 -0.81 -4.94 120.40 110.67 1nqu s VAL 53 Ca 0.17 -1.96 -0.29 0.00 -1.81 0.00 0.00 61.98 58.09 1nqu s VAL 53 Cb -0.12 -1.85 -0.16 0.00 0.56 0.00 0.00 36.38 34.81 1nqu s VAL 53 CO 0.06 -0.72 1.66 -0.65 -0.31 0.00 0.00 175.10 175.14 1nqu h PRO 54 N 2.85 -0.56 -4.58 4.82 0.11 -1.93 0.77 132.00 133.48 1nqu h PRO 54 Ca -0.36 0.04 -0.32 0.00 0.11 0.00 0.00 66.00 65.47 1nqu h PRO 54 Cb 1.18 0.13 -0.13 0.00 0.11 0.00 0.00 31.00 32.29 1nqu h PRO 54 CO 0.64 -0.37 -0.48 0.20 -0.21 0.00 0.00 178.00 177.77 1nqu s GLY 55 N -2.17 1.71 0.39 -0.55 0.00 -1.26 -1.34 107.32 104.10 1nqu s GLY 55 Ca -0.16 -1.76 0.11 0.00 0.00 0.00 0.00 44.72 42.91 1nqu s GLY 55 CO 0.64 -1.32 1.93 1.76 0.00 0.00 0.00 173.10 176.11 1nqu h SER 56 N 2.35 0.52 -0.94 1.64 0.02 -1.91 -1.40 113.55 113.83 1nqu h SER 56 Ca -0.30 0.02 0.16 0.00 -0.84 0.00 0.00 61.79 60.83 1nqu h SER 56 Cb 1.24 -0.09 -0.08 0.00 0.14 0.00 0.00 62.40 63.61 1nqu h SER 56 CO 0.44 0.30 0.60 -0.25 -1.14 0.00 0.00 176.83 176.77 1nqu h TRP 57 N 0.57 0.88 -0.00 3.45 2.91 -1.96 -1.76 115.95 120.04 1nqu h TRP 57 Ca 0.35 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.40 1nqu h TRP 57 Cb 0.60 -0.27 0.00 0.00 -0.51 0.00 0.00 29.16 28.98 1nqu h TRP 57 CO -0.00 0.28 -0.21 0.39 -1.03 0.00 0.00 178.44 177.87 1nqu n GLU 58 N -4.61 0.26 -0.06 2.65 4.71 -0.53 -4.24 120.64 118.83 1nqu n GLU 58 Ca 0.19 -0.10 -0.10 0.00 -0.01 0.00 0.00 57.16 57.15 1nqu n GLU 58 Cb 0.52 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.42 1nqu n GLU 58 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 1nqu h ILE 59 N 0.24 1.05 -0.24 -3.67 2.04 -1.26 -3.16 117.51 112.52 1nqu h ILE 59 Ca 0.00 -0.11 0.04 0.00 1.00 0.00 0.00 64.86 65.79 1nqu h ILE 59 Cb 0.45 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 1nqu h ILE 59 CO 0.00 0.06 0.02 -0.65 0.00 0.00 0.00 178.15 177.57 1nqu h PRO 60 N 0.31 0.10 -0.53 2.37 0.11 -1.76 0.58 132.00 133.17 1nqu h PRO 60 Ca 0.09 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.16 1nqu h PRO 60 Cb -0.03 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.03 1nqu h PRO 60 CO -0.02 0.06 0.21 -0.24 -0.21 0.00 0.00 178.00 177.80 1nqu h VAL 61 N 0.10 1.19 -0.31 3.15 3.04 -1.84 0.99 116.25 122.58 1nqu h VAL 61 Ca 0.11 -0.61 -0.18 0.00 -1.01 0.00 0.00 66.70 65.01 1nqu h VAL 61 Cb 0.13 0.57 -0.00 0.00 -2.01 0.00 0.00 31.29 29.98 1nqu h VAL 61 CO -0.17 0.24 -0.51 0.00 -1.01 0.00 0.00 177.57 176.12 1nqu h ALA 62 N 1.48 0.51 -0.43 3.17 0.00 -1.44 -3.01 119.26 119.53 1nqu h ALA 62 Ca 0.18 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 1nqu h ALA 62 Cb 0.15 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1nqu h ALA 62 CO -0.02 0.68 0.12 0.00 0.00 0.00 0.00 179.25 180.04 1nqu h ALA 63 N 0.73 1.40 -0.94 0.00 0.00 0.02 -1.97 119.26 118.51 1nqu h ALA 63 Ca 0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1nqu h ALA 63 Cb 1.11 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 1nqu h ALA 63 CO 0.12 0.44 0.57 0.78 0.00 0.00 0.00 179.25 181.15 1nqu h GLY 64 N 0.83 1.37 1.00 0.00 0.00 -0.75 0.15 103.07 105.67 1nqu h GLY 64 Ca 0.15 -0.57 -0.11 0.00 0.00 0.00 0.00 47.33 46.80 1nqu h GLY 64 CO -0.01 0.55 -0.19 0.83 0.00 0.00 0.00 176.54 177.73 1nqu h GLU 65 N 1.30 0.78 -0.35 4.80 4.39 -1.25 -2.73 114.58 121.52 1nqu h GLU 65 Ca 0.34 -0.35 -0.12 0.00 0.34 0.00 0.00 59.36 59.57 1nqu h GLU 65 Cb -0.05 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 1nqu h GLU 65 CO -0.06 0.97 -0.25 -0.07 -1.16 0.00 0.00 179.01 178.44 1nqu h LEU 66 N 0.58 0.83 -1.94 1.33 3.38 -1.10 -3.00 115.31 115.39 1nqu h LEU 66 Ca 0.08 -0.44 -0.02 0.00 0.09 0.00 0.00 57.88 57.60 1nqu h LEU 66 Cb 0.74 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1nqu h LEU 66 CO 0.06 1.09 -0.09 0.00 0.09 0.00 0.00 178.44 179.58 1nqu h ALA 67 N 0.77 1.19 0.00 1.53 0.00 -0.72 -1.65 119.26 120.38 1nqu h ALA 67 Ca 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1nqu h ALA 67 Cb 0.81 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1nqu h ALA 67 CO 0.07 0.12 0.00 0.54 0.00 0.00 0.00 179.25 179.97 1nqu n ARG 68 N -3.47 0.14 -2.42 0.00 1.74 -1.03 -4.80 116.66 106.82 1nqu n ARG 68 Ca -0.01 0.19 -0.42 0.00 -0.77 0.00 0.00 57.85 56.83 1nqu n ARG 68 Cb 0.24 -1.68 -0.03 0.00 -1.02 0.00 0.00 32.46 29.96 1nqu n ARG 68 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1nqu s LYS 69 N -3.09 4.41 0.51 5.56 1.02 -0.62 -4.92 119.74 122.61 1nqu s LYS 69 Ca 0.10 1.76 0.27 0.00 0.02 0.00 0.00 55.97 58.11 1nqu s LYS 69 Cb 0.14 -3.40 1.36 0.00 -0.52 0.00 0.00 37.83 35.40 1nqu s LYS 69 CO 0.50 -0.31 2.03 1.49 -0.92 0.00 0.00 175.35 178.14 1nqu h GLU 70 N 6.99 0.00 -0.66 1.68 4.22 -1.88 -2.63 114.58 122.29 1nqu h GLU 70 Ca -0.40 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.04 1nqu h GLU 70 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1nqu h GLU 70 CO 0.83 0.14 0.00 -0.40 -2.18 0.00 0.00 179.01 177.40 1nqu n ASP 71 N -3.62 4.48 -4.22 1.04 5.75 -1.26 -4.78 116.55 113.94 1nqu n ASP 71 Ca -0.02 -2.62 -0.34 0.00 -0.01 0.00 0.00 54.79 51.80 1nqu n ASP 71 Cb 0.27 -0.61 -0.15 0.00 -1.03 0.00 0.00 41.12 39.60 1nqu n ASP 71 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1nqu s ILE 72 N -2.21 2.67 -0.08 2.12 -1.09 -0.99 -4.77 121.20 116.85 1nqu s ILE 72 Ca 0.42 -0.74 0.14 0.00 -2.23 0.00 0.00 60.65 58.24 1nqu s ILE 72 Cb 0.31 -2.17 -0.10 0.00 -1.58 0.00 0.00 42.46 38.92 1nqu s ILE 72 CO 0.14 0.49 1.07 0.44 -1.23 0.00 0.00 174.94 175.85 1nqu h ASP 73 N 7.92 0.00 -4.86 3.58 3.32 -1.08 -3.47 116.42 121.82 1nqu h ASP 73 Ca -0.42 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.61 1nqu h ASP 73 Cb 1.16 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.53 1nqu h ASP 73 CO 0.62 0.68 0.26 0.00 -1.72 0.00 0.00 179.24 179.08 1nqu s ALA 74 N -2.86 -1.74 -0.04 3.45 0.00 -1.22 -4.46 121.76 114.88 1nqu s ALA 74 Ca -0.00 1.08 0.06 0.00 0.00 0.00 0.00 51.96 53.10 1nqu s ALA 74 Cb 0.08 0.21 -0.02 0.00 0.00 0.00 0.00 23.12 23.40 1nqu s ALA 74 CO 0.79 -0.51 -0.24 0.08 0.00 0.00 0.00 175.76 175.89 1nqu s VAL 75 N -2.10 2.23 -0.20 0.00 1.01 -0.70 -1.44 120.40 119.19 1nqu s VAL 75 Ca -0.05 -1.02 -0.02 0.00 0.00 0.00 0.00 61.98 60.88 1nqu s VAL 75 Cb -0.00 -1.81 -0.00 0.00 0.00 0.00 0.00 36.38 34.57 1nqu s VAL 75 CO 0.01 0.58 -0.09 -0.63 0.00 0.00 0.00 175.10 174.96 1nqu s ILE 76 N -0.43 3.01 -0.22 2.22 1.01 0.64 -0.39 121.20 127.03 1nqu s ILE 76 Ca 0.05 -0.62 -0.12 0.00 0.00 0.00 0.00 60.65 59.95 1nqu s ILE 76 Cb -0.12 -2.34 -0.05 0.00 0.01 0.00 0.00 42.46 39.96 1nqu s ILE 76 CO 0.01 0.46 0.23 0.00 0.00 0.00 0.00 174.94 175.64 1nqu s ALA 77 N 1.35 3.60 -0.10 9.38 0.00 -0.68 -1.43 121.76 133.89 1nqu s ALA 77 Ca 0.04 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.25 1nqu s ALA 77 Cb -0.14 -2.40 0.02 0.00 0.00 0.00 0.00 23.12 20.60 1nqu s ALA 77 CO -0.05 -0.19 -0.08 0.42 0.00 0.00 0.00 175.76 175.85 1nqu s ILE 78 N 1.06 1.00 0.22 0.00 1.01 0.25 -0.03 121.20 124.72 1nqu s ILE 78 Ca 0.11 -0.31 -0.23 0.00 0.00 0.00 0.00 60.65 60.22 1nqu s ILE 78 Cb -0.14 -1.00 0.04 0.00 0.01 0.00 0.00 42.46 41.38 1nqu s ILE 78 CO 0.05 0.35 0.85 -0.83 0.00 0.00 0.00 174.94 175.37 1nqu s GLY 79 N 1.41 -0.13 -0.16 6.18 0.00 -1.17 -2.09 107.32 111.36 1nqu s GLY 79 Ca -0.01 -0.12 -0.03 0.00 0.00 0.00 0.00 44.72 44.57 1nqu s GLY 79 CO -0.05 0.03 0.03 0.14 0.00 0.00 0.00 173.10 173.25 1nqu s VAL 80 N -3.48 0.44 -0.17 1.40 1.01 -1.26 -1.04 120.40 117.29 1nqu s VAL 80 Ca 0.12 -0.35 -0.07 0.00 0.00 0.00 0.00 61.98 61.68 1nqu s VAL 80 Cb -0.04 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 1nqu s VAL 80 CO 0.05 -0.09 0.06 -0.76 0.00 0.00 0.00 175.10 174.35 1nqu s LEU 81 N 1.91 3.79 -0.06 3.92 1.43 0.02 -4.71 118.68 124.98 1nqu s LEU 81 Ca 0.01 0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.22 1nqu s LEU 81 Cb -0.16 -1.95 0.02 0.00 0.03 0.00 0.00 46.19 44.13 1nqu s LEU 81 CO -0.07 0.20 -0.10 -0.63 0.23 0.00 0.00 176.35 175.97 1nqu s ILE 82 N 0.24 1.00 0.22 -0.59 1.01 -1.26 -0.85 121.20 120.97 1nqu s ILE 82 Ca 0.04 -0.39 -0.31 0.00 0.00 0.00 0.00 60.65 59.99 1nqu s ILE 82 Cb -0.12 -0.94 -0.11 0.00 0.01 0.00 0.00 42.46 41.30 1nqu s ILE 82 CO 0.00 0.33 1.60 -0.60 0.00 0.00 0.00 174.94 176.27 1nqu s ARG 83 N 0.79 4.17 0.00 2.79 3.52 -0.17 -4.91 118.95 125.14 1nqu s ARG 83 Ca -0.13 2.48 0.00 0.00 -0.13 0.00 0.00 55.73 57.96 1nqu s ARG 83 Cb -0.15 -3.09 0.00 0.00 -1.56 0.00 0.00 34.95 30.15 1nqu s ARG 83 CO 0.02 -0.63 0.00 0.41 -0.81 0.00 0.00 175.30 174.29 1nqu n GLY 84 N 3.18 1.96 0.14 8.12 0.00 -1.26 -4.83 105.19 112.51 1nqu n GLY 84 Ca 0.12 -2.01 0.01 0.00 0.00 0.00 0.00 46.02 44.14 1nqu n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nqu h ALA 85 N -0.98 0.79 -1.40 4.61 0.00 -2.01 -3.46 119.26 116.81 1nqu h ALA 85 Ca 0.00 -0.52 -0.49 0.00 0.00 0.00 0.00 54.91 53.90 1nqu h ALA 85 Cb 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1nqu h ALA 85 CO 0.00 0.71 -0.34 0.95 0.00 0.00 0.00 179.25 180.57 1nqu s THR 86 N -3.27 2.60 -2.00 0.00 -4.23 -1.26 -5.00 115.64 102.48 1nqu s THR 86 Ca 0.01 -1.29 0.04 0.00 -1.18 0.00 0.00 61.69 59.27 1nqu s THR 86 Cb 0.10 -2.89 0.10 0.00 1.34 0.00 0.00 72.50 71.15 1nqu s THR 86 CO 0.74 0.00 0.83 -0.81 -0.54 0.00 0.00 174.62 174.84 1nqu n PRO 87 N -1.64 0.66 -0.24 3.99 -0.04 -1.26 -4.09 135.00 132.39 1nqu n PRO 87 Ca 0.04 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.53 1nqu n PRO 87 Cb 0.62 -1.09 0.13 0.00 -0.04 0.00 0.00 33.50 33.12 1nqu n PRO 87 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1nqu h HIS 88 N 0.00 -0.10 -0.71 0.54 2.76 -1.95 -0.94 115.15 114.76 1nqu h HIS 88 Ca 0.00 0.05 0.15 0.00 -2.20 0.00 0.00 60.37 58.38 1nqu h HIS 88 Cb 0.00 0.15 -0.11 0.00 1.55 0.00 0.00 27.41 29.00 1nqu h HIS 88 CO 0.00 -0.22 0.14 0.35 -1.30 0.00 0.00 177.93 176.90 1nqu h PHE 89 N 0.09 0.22 -0.34 5.26 3.57 -1.92 -1.89 116.94 121.94 1nqu h PHE 89 Ca 0.37 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.91 1nqu h PHE 89 Cb 0.62 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.36 1nqu h PHE 89 CO -0.42 -0.10 0.22 -0.44 -2.23 0.00 0.00 178.31 175.33 1nqu h ASP 90 N 0.24 0.40 -0.41 0.41 3.45 -1.47 0.19 116.42 119.23 1nqu h ASP 90 Ca 0.40 -0.03 -0.14 0.00 0.43 0.00 0.00 57.03 57.69 1nqu h ASP 90 Cb 0.67 -0.10 -0.01 0.00 -0.56 0.00 0.00 39.33 39.33 1nqu h ASP 90 CO -0.51 0.31 -0.26 1.88 -1.57 0.00 0.00 179.24 179.09 1nqu h TYR 91 N 0.45 1.08 -0.16 4.55 0.05 -1.26 0.11 116.97 121.78 1nqu h TYR 91 Ca 0.12 -0.27 -0.05 0.00 0.05 0.00 0.00 58.73 58.58 1nqu h TYR 91 Cb -0.02 -0.25 -0.00 0.00 1.01 0.00 0.00 36.73 37.47 1nqu h TYR 91 CO -0.05 1.08 -0.08 0.82 -1.05 0.00 0.00 178.16 178.88 1nqu h ILE 92 N 0.79 1.31 -0.79 -2.88 2.04 -1.21 -2.23 117.51 114.54 1nqu h ILE 92 Ca 0.09 -1.13 -0.01 0.00 1.00 0.00 0.00 64.86 64.81 1nqu h ILE 92 Cb 0.83 1.71 -0.04 0.00 -0.74 0.00 0.00 36.82 38.58 1nqu h ILE 92 CO 0.07 0.33 0.45 0.00 0.00 0.00 0.00 178.15 179.00 1nqu h ALA 93 N 0.68 1.01 -0.28 1.87 0.00 -0.85 0.52 119.26 122.21 1nqu h ALA 93 Ca 0.04 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1nqu h ALA 93 Cb 0.56 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1nqu h ALA 93 CO 0.02 0.51 0.16 0.77 0.00 0.00 0.00 179.25 180.72 1nqu h SER 94 N 1.10 0.34 0.73 0.00 0.02 -0.96 -2.02 113.55 112.76 1nqu h SER 94 Ca 0.28 -0.06 -0.18 0.00 -0.84 0.00 0.00 61.79 60.99 1nqu h SER 94 Cb 0.01 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 1nqu h SER 94 CO -0.05 0.30 -0.83 -0.33 -1.14 0.00 0.00 176.83 174.79 1nqu h GLU 95 N 0.35 0.06 -0.32 3.45 4.39 -0.99 -1.04 114.58 120.49 1nqu h GLU 95 Ca 0.10 -0.07 -0.12 0.00 0.34 0.00 0.00 59.36 59.61 1nqu h GLU 95 Cb 0.03 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 1nqu h GLU 95 CO -0.02 0.85 -0.25 0.28 -1.16 0.00 0.00 179.01 178.71 1nqu h VAL 96 N 0.04 1.29 -0.24 3.13 2.07 -0.85 -0.66 116.25 121.03 1nqu h VAL 96 Ca -0.02 -1.41 -0.03 0.00 0.82 0.00 0.00 66.70 66.06 1nqu h VAL 96 Cb 1.45 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 1nqu h VAL 96 CO 0.11 0.46 0.04 0.77 0.02 0.00 0.00 177.57 178.97 1nqu h SER 97 N 0.50 0.39 -0.58 0.57 4.64 -1.36 -2.22 113.55 115.48 1nqu h SER 97 Ca 0.06 -0.26 -0.00 0.00 -0.47 0.00 0.00 61.79 61.12 1nqu h SER 97 Cb 0.82 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.78 1nqu h SER 97 CO 0.07 0.55 0.36 0.50 -0.87 0.00 0.00 176.83 177.43 1nqu h LYS 98 N 0.21 0.79 -0.16 4.77 3.64 -1.15 -1.79 116.57 122.87 1nqu h LYS 98 Ca 0.07 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1nqu h LYS 98 Cb 0.33 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1nqu h LYS 98 CO 0.00 0.56 0.09 0.78 -2.27 0.00 0.00 179.45 178.62 1nqu h GLY 99 N 0.79 0.24 0.96 5.01 0.00 -1.02 -0.14 103.07 108.91 1nqu h GLY 99 Ca 0.21 -0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.41 1nqu h GLY 99 CO -0.04 0.10 0.19 1.41 0.00 0.00 0.00 176.54 178.20 1nqu h LEU 100 N 0.17 0.58 -0.52 3.11 3.38 -1.31 -0.19 115.31 120.54 1nqu h LEU 100 Ca 0.06 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1nqu h LEU 100 Cb 0.05 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1nqu h LEU 100 CO -0.01 0.57 0.20 0.00 0.09 0.00 0.00 178.44 179.29 1nqu h ALA 101 N 1.03 0.68 -0.57 1.53 0.00 -1.16 -1.82 119.26 118.95 1nqu h ALA 101 Ca 0.15 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1nqu h ALA 101 Cb 0.16 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1nqu h ALA 101 CO -0.01 0.30 0.22 -0.91 0.00 0.00 0.00 179.25 178.84 1nqu h ASN 102 N 0.70 0.79 -0.73 0.00 -0.26 -0.84 -2.68 115.58 112.57 1nqu h ASN 102 Ca 0.17 -0.17 -0.04 0.00 -0.56 0.00 0.00 56.30 55.69 1nqu h ASN 102 Cb 0.21 -0.21 -0.03 0.00 -1.06 0.00 0.00 38.32 37.23 1nqu h ASN 102 CO -0.01 0.75 0.29 -0.07 -1.06 0.00 0.00 177.43 177.33 1nqu h LEU 103 N 0.78 1.02 -0.74 1.61 3.38 -0.86 0.43 115.31 120.93 1nqu h LEU 103 Ca 0.19 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1nqu h LEU 103 Cb 0.21 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1nqu h LEU 103 CO -0.01 0.90 0.48 -1.28 0.09 0.00 0.00 178.44 178.62 1nqu h SER 104 N 1.08 0.87 -0.17 -0.43 0.87 -1.08 0.41 113.55 115.09 1nqu h SER 104 Ca 0.25 -0.03 -0.14 0.00 -1.23 0.00 0.00 61.79 60.63 1nqu h SER 104 Cb 0.21 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 1nqu h SER 104 CO -0.02 0.64 -0.44 -0.07 -0.53 0.00 0.00 176.83 176.41 1nqu h LEU 105 N 1.01 0.69 -0.59 2.23 3.38 -1.14 -0.24 115.31 120.64 1nqu h LEU 105 Ca 0.27 -0.58 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 1nqu h LEU 105 Cb -0.09 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 1nqu h LEU 105 CO -0.06 1.14 0.33 -0.08 0.09 0.00 0.00 178.44 179.87 1nqu h GLU 106 N 0.27 0.82 -0.01 1.13 4.81 -0.64 -3.01 114.58 117.94 1nqu h GLU 106 Ca -0.01 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1nqu h GLU 106 Cb 1.06 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.27 1nqu h GLU 106 CO 0.10 0.62 -0.13 1.28 -0.73 0.00 0.00 179.01 180.15 1nqu n LEU 107 N -4.59 1.58 -3.95 1.64 4.77 0.11 -4.96 117.00 111.60 1nqu n LEU 107 Ca 0.04 -0.51 -0.28 0.00 -0.03 0.00 0.00 56.01 55.23 1nqu n LEU 107 Cb 0.08 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.11 1nqu n LEU 107 CO 0.37 0.27 -0.23 0.54 -1.33 0.00 0.00 177.39 177.01 1nqu n ARG 108 N 0.03 -2.60 -3.78 3.23 1.74 -0.15 -4.98 116.66 110.15 1nqu n ARG 108 Ca 0.15 0.37 -0.13 0.00 -0.77 0.00 0.00 57.85 57.47 1nqu n ARG 108 Cb 0.39 -4.27 -0.12 0.00 -1.02 0.00 0.00 32.46 27.44 1nqu n ARG 108 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1nqu s LYS 109 N -6.59 0.23 0.20 5.56 2.20 -0.90 -5.06 119.74 115.39 1nqu s LYS 109 Ca 0.10 0.36 -0.31 0.00 -0.36 0.00 0.00 55.97 55.77 1nqu s LYS 109 Cb -0.04 0.05 -0.10 0.00 -1.51 0.00 0.00 37.83 36.23 1nqu s LYS 109 CO 0.90 -0.07 1.45 -2.14 -0.36 0.00 0.00 175.35 175.13 1nqu s PRO 110 N 0.46 4.27 -0.13 4.03 0.02 -1.26 -4.49 135.00 137.89 1nqu s PRO 110 Ca -0.03 2.26 -0.01 0.00 0.02 0.00 0.00 61.00 63.24 1nqu s PRO 110 Cb -0.04 -3.15 0.04 0.00 0.02 0.00 0.00 34.50 31.36 1nqu s PRO 110 CO -0.02 -0.45 -0.03 0.42 -0.33 0.00 0.00 177.00 176.58 1nqu s ILE 111 N 0.46 0.83 0.26 2.83 1.01 -1.26 -1.72 121.20 123.61 1nqu s ILE 111 Ca 0.62 -0.35 0.05 0.00 0.00 0.00 0.00 60.65 60.97 1nqu s ILE 111 Cb -0.41 -1.01 -0.03 0.00 0.01 0.00 0.00 42.46 41.03 1nqu s ILE 111 CO 0.38 0.17 0.39 0.42 0.00 0.00 0.00 174.94 176.30 1nqu s THR 112 N 1.77 5.00 -0.55 2.92 -4.23 0.48 -4.93 115.64 116.09 1nqu s THR 112 Ca 0.03 -0.98 -0.03 0.00 -1.18 0.00 0.00 61.69 59.53 1nqu s THR 112 Cb -0.14 -3.76 0.14 0.00 1.34 0.00 0.00 72.50 70.08 1nqu s THR 112 CO -0.07 -0.30 0.35 0.12 -0.54 0.00 0.00 174.62 174.18 1nqu s PHE 113 N -2.03 3.46 -0.43 3.99 5.36 -1.26 -1.69 117.98 125.39 1nqu s PHE 113 Ca 0.36 -2.62 0.04 0.00 -0.96 0.00 0.00 56.93 53.75 1nqu s PHE 113 Cb -0.09 -3.20 0.49 0.00 -0.34 0.00 0.00 43.02 39.88 1nqu s PHE 113 CO 0.30 -0.88 1.61 0.41 -1.46 0.00 0.00 175.22 175.19 1nqu n GLY 114 N 3.86 5.63 3.56 13.12 0.00 0.96 -4.72 105.19 127.59 1nqu n GLY 114 Ca 0.04 -1.99 -0.40 0.00 0.00 0.00 0.00 46.02 43.68 1nqu n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nqu s VAL 115 N -4.16 5.25 0.19 1.61 1.01 -1.22 -3.04 120.40 120.05 1nqu s VAL 115 Ca 0.54 0.04 -0.30 0.00 0.00 0.00 0.00 61.98 62.26 1nqu s VAL 115 Cb 0.45 -3.69 -0.08 0.00 0.00 0.00 0.00 36.38 33.06 1nqu s VAL 115 CO 0.02 0.06 1.12 -0.63 0.00 0.00 0.00 175.10 175.67 1nqu s ILE 116 N 1.84 3.75 -0.49 2.22 1.01 -0.21 -4.93 121.20 124.39 1nqu s ILE 116 Ca 0.09 1.54 0.03 0.00 0.00 0.00 0.00 60.65 62.31 1nqu s ILE 116 Cb -0.17 -3.98 0.15 0.00 0.01 0.00 0.00 42.46 38.47 1nqu s ILE 116 CO 0.11 0.28 0.31 0.42 0.00 0.00 0.00 174.94 176.06 1nqu s THR 117 N -0.35 1.56 0.01 2.92 -4.23 -1.26 -0.79 115.64 113.50 1nqu s THR 117 Ca 0.49 -2.95 -0.00 0.00 -1.18 0.00 0.00 61.69 58.05 1nqu s THR 117 Cb -0.30 -2.07 -0.04 0.00 1.34 0.00 0.00 72.50 71.43 1nqu s THR 117 CO 0.36 -0.97 0.10 0.00 -0.54 0.00 0.00 174.62 173.57 1nqu s ALA 118 N -0.09 3.66 0.18 3.99 0.00 -0.03 -5.01 121.76 124.46 1nqu s ALA 118 Ca 0.22 -0.87 0.06 0.00 0.00 0.00 0.00 51.96 51.36 1nqu s ALA 118 Cb -0.15 -1.62 0.02 0.00 0.00 0.00 0.00 23.12 21.37 1nqu s ALA 118 CO -0.07 0.71 1.40 -0.44 0.00 0.00 0.00 175.76 177.37 1nqu h ASP 119 N 3.90 0.12 -4.06 0.00 3.32 -1.93 -0.42 116.42 117.34 1nqu h ASP 119 Ca -0.49 -0.10 -0.31 0.00 0.02 0.00 0.00 57.03 56.16 1nqu h ASP 119 Cb 1.18 -0.04 -0.15 0.00 0.22 0.00 0.00 39.33 40.55 1nqu h ASP 119 CO 0.64 0.91 -0.71 0.42 -1.72 0.00 0.00 179.24 178.79 1nqu s THR 120 N -3.15 1.10 0.21 0.35 -4.23 -1.26 -3.99 115.64 104.67 1nqu s THR 120 Ca -0.01 -2.04 -0.09 0.00 -1.18 0.00 0.00 61.69 58.36 1nqu s THR 120 Cb 0.11 -1.82 0.15 0.00 1.34 0.00 0.00 72.50 72.28 1nqu s THR 120 CO 0.81 -0.77 1.83 0.25 -0.54 0.00 0.00 174.62 176.21 1nqu h LEU 121 N 2.81 0.96 -0.67 4.79 5.85 -1.92 -2.01 115.31 125.12 1nqu h LEU 121 Ca -0.36 -0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.33 1nqu h LEU 121 Cb 1.19 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.92 1nqu h LEU 121 CO 0.64 0.77 0.37 -0.08 -0.34 0.00 0.00 178.44 179.79 1nqu h GLU 122 N 1.06 0.65 -0.66 1.25 4.81 -1.99 -0.27 114.58 119.44 1nqu h GLU 122 Ca 0.27 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.44 1nqu h GLU 122 Cb 0.02 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.22 1nqu h GLU 122 CO -0.05 0.43 0.32 1.96 -0.73 0.00 0.00 179.01 180.95 1nqu h GLN 123 N 0.67 0.93 -0.43 1.92 4.20 -1.83 -0.90 115.11 119.67 1nqu h GLN 123 Ca 0.30 -0.12 -0.08 0.00 0.06 0.00 0.00 58.65 58.81 1nqu h GLN 123 Cb 0.20 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 1nqu h GLN 123 CO -0.19 0.71 -0.05 0.00 -0.67 0.00 0.00 178.83 178.63 1nqu h ALA 124 N 1.43 0.59 -0.61 3.87 0.00 -0.55 -2.79 119.26 121.20 1nqu h ALA 124 Ca 0.23 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1nqu h ALA 124 Cb 0.09 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1nqu h ALA 124 CO -0.03 0.43 0.37 0.82 0.00 0.00 0.00 179.25 180.83 1nqu h ILE 125 N 0.63 1.18 -0.88 0.00 2.04 -0.67 -2.09 117.51 117.71 1nqu h ILE 125 Ca 0.12 -0.41 0.16 0.00 1.00 0.00 0.00 64.86 65.73 1nqu h ILE 125 Cb 0.57 0.35 -0.07 0.00 -0.74 0.00 0.00 36.82 36.93 1nqu h ILE 125 CO 0.03 0.19 0.57 -0.33 0.00 0.00 0.00 178.15 178.61 1nqu h GLU 126 N 0.83 0.56 -0.16 2.37 5.08 -1.03 -2.34 114.58 119.90 1nqu h GLU 126 Ca 0.22 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1nqu h GLU 126 Cb -0.01 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.11 1nqu h GLU 126 CO -0.04 0.37 0.00 0.54 -1.00 0.00 0.00 179.01 178.88 1nqu n ARG 127 N -4.55 2.25 -2.29 2.33 1.74 -0.84 -0.27 116.66 115.03 1nqu n ARG 127 Ca 0.18 -1.85 -0.30 0.00 -0.77 0.00 0.00 57.85 55.11 1nqu n ARG 127 Cb 0.55 -1.47 0.01 0.00 -1.02 0.00 0.00 32.46 30.52 1nqu n ARG 127 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1nqu n ALA 128 N 1.15 5.44 -0.25 7.54 0.00 -0.88 -1.59 120.51 131.93 1nqu n ALA 128 Ca 0.17 -4.23 0.00 0.00 0.00 0.00 0.00 53.44 49.38 1nqu n ALA 128 Cb 0.55 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 19.10 1nqu n ALA 128 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nqu n GLY 129 N -0.52 1.02 0.00 0.00 0.00 0.54 -4.72 105.19 101.51 1nqu n GLY 129 Ca 0.43 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1nqu n GLY 129 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1nqu n THR 130 N -2.10 0.00 0.30 2.61 -2.24 -1.16 -4.93 114.28 106.76 1nqu n THR 130 Ca 0.00 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 61.96 1nqu n THR 130 Cb 0.02 0.00 0.91 0.00 -2.10 0.00 0.00 70.33 69.16 1nqu n THR 130 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1nqu h LYS 131 N 0.00 0.00 -0.46 -0.78 2.10 -1.80 -1.40 116.57 114.23 1nqu h LYS 131 Ca 0.00 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.46 1nqu h LYS 131 Cb 0.00 0.00 -0.12 0.00 -0.90 0.00 0.00 32.23 31.21 1nqu h LYS 131 CO 0.00 0.04 0.08 0.72 -2.00 0.00 0.00 179.45 178.29 1nqu n HIS 132 N -3.34 1.47 -3.19 0.07 8.25 0.63 -5.05 115.22 114.07 1nqu n HIS 132 Ca -0.02 -1.44 0.00 0.00 -0.26 0.00 0.00 57.72 56.00 1nqu n HIS 132 Cb 0.18 -0.54 0.00 0.00 1.12 0.00 0.00 29.99 30.75 1nqu n HIS 132 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nqu n GLY 133 N -0.91 -1.11 2.69 -1.41 0.00 -0.53 -4.63 105.19 99.31 1nqu n GLY 133 Ca 0.35 -1.38 -0.27 0.00 0.00 0.00 0.00 46.02 44.73 1nqu n GLY 133 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1nqu s ASN 134 N -4.00 2.57 0.50 1.61 3.84 -1.25 -0.34 114.94 117.87 1nqu s ASN 134 Ca 0.00 -0.67 0.27 0.00 0.21 0.00 0.00 52.86 52.66 1nqu s ASN 134 Cb 0.00 -0.45 1.33 0.00 -0.55 0.00 0.00 41.25 41.58 1nqu s ASN 134 CO 0.00 -0.31 2.01 0.50 -2.79 0.00 0.00 177.10 176.51 1nqu h LYS 135 N 8.32 0.00 -0.27 0.43 1.63 -1.61 -1.92 116.57 123.15 1nqu h LYS 135 Ca -0.16 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.56 1nqu h LYS 135 Cb 1.13 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.75 1nqu h LYS 135 CO 0.31 0.15 -0.14 0.78 -3.45 0.00 0.00 179.45 177.09 1nqu h GLY 136 N 1.15 0.61 0.89 5.01 0.00 -1.82 -1.07 103.07 107.84 1nqu h GLY 136 Ca -0.00 -0.56 0.02 0.00 0.00 0.00 0.00 47.33 46.79 1nqu h GLY 136 CO 0.02 0.51 0.27 -0.25 0.00 0.00 0.00 176.54 177.09 1nqu h TRP 137 N 0.30 0.51 -0.34 5.60 7.01 -1.56 -1.00 115.95 126.47 1nqu h TRP 137 Ca 0.06 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.06 1nqu h TRP 137 Cb 0.66 -0.16 -0.02 0.00 -2.10 0.00 0.00 29.16 27.54 1nqu h TRP 137 CO 0.06 0.29 0.15 0.93 -2.79 0.00 0.00 178.44 177.09 1nqu h GLU 138 N 0.55 0.51 -0.23 2.65 5.08 -1.27 -0.48 114.58 121.38 1nqu h GLU 138 Ca 0.18 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.38 1nqu h GLU 138 Cb 0.01 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1nqu h GLU 138 CO -0.08 0.49 -0.19 0.00 -1.00 0.00 0.00 179.01 178.23 1nqu h ALA 139 N 1.00 1.26 -0.29 3.43 0.00 -1.07 -1.30 119.26 122.29 1nqu h ALA 139 Ca 0.12 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1nqu h ALA 139 Cb 0.16 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1nqu h ALA 139 CO -0.01 0.49 -0.04 0.00 0.00 0.00 0.00 179.25 179.68 1nqu h ALA 140 N 1.45 0.40 -0.71 0.00 0.00 -0.80 -1.50 119.26 118.10 1nqu h ALA 140 Ca 0.06 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1nqu h ALA 140 Cb 0.54 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1nqu h ALA 140 CO 0.04 0.19 0.44 1.25 0.00 0.00 0.00 179.25 181.17 1nqu h LEU 141 N 0.32 0.84 -0.95 0.00 5.85 -0.83 0.03 115.31 120.57 1nqu h LEU 141 Ca 0.08 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1nqu h LEU 141 Cb 0.50 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.28 1nqu h LEU 141 CO 0.02 0.63 0.61 -1.28 -0.34 0.00 0.00 178.44 178.08 1nqu h SER 142 N 0.96 1.12 -0.39 1.25 0.87 -1.13 -1.91 113.55 114.33 1nqu h SER 142 Ca 0.26 -0.05 -0.11 0.00 -1.23 0.00 0.00 61.79 60.66 1nqu h SER 142 Cb -0.06 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.60 1nqu h SER 142 CO -0.05 0.83 -0.15 0.00 -0.53 0.00 0.00 176.83 176.94 1nqu h ALA 143 N 1.33 0.88 -0.01 6.23 0.00 -0.18 0.33 119.26 127.85 1nqu h ALA 143 Ca 0.35 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1nqu h ALA 143 Cb -0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1nqu h ALA 143 CO -0.07 0.63 -0.08 0.82 0.00 0.00 0.00 179.25 180.55 1nqu h ILE 144 N 0.76 0.79 -0.32 0.00 2.04 -0.74 -0.33 117.51 119.71 1nqu h ILE 144 Ca 0.12 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.98 1nqu h ILE 144 Cb 0.67 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 1nqu h ILE 144 CO 0.05 0.00 0.21 -0.08 0.00 0.00 0.00 178.15 178.33 1nqu h GLU 145 N -0.14 0.42 -0.58 2.37 4.81 -1.00 -1.60 114.58 118.86 1nqu h GLU 145 Ca 0.03 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.14 1nqu h GLU 145 Cb 0.18 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 1nqu h GLU 145 CO -0.09 0.28 -0.02 0.52 -0.73 0.00 0.00 179.01 178.97 1nqu h MET 146 N 0.43 1.02 -0.45 1.92 2.86 -0.81 0.33 114.93 120.22 1nqu h MET 146 Ca 0.12 -0.32 -0.02 0.00 -2.06 0.00 0.00 59.70 57.41 1nqu h MET 146 Cb -0.05 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.50 1nqu h MET 146 CO -0.03 1.01 0.19 0.00 1.06 0.00 0.00 176.91 179.15 1nqu h ALA 147 N 1.04 0.59 -0.62 6.32 0.00 -0.87 0.58 119.26 126.29 1nqu h ALA 147 Ca 0.16 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1nqu h ALA 147 Cb 0.56 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1nqu h ALA 147 CO 0.03 0.18 0.23 -0.91 0.00 0.00 0.00 179.25 178.78 1nqu h ASN 148 N 0.59 0.87 -0.42 0.00 2.35 -1.08 -2.34 115.58 115.54 1nqu h ASN 148 Ca 0.15 -0.18 0.03 0.00 -0.55 0.00 0.00 56.30 55.75 1nqu h ASN 148 Cb 0.17 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.28 1nqu h ASN 148 CO -0.01 0.82 0.22 0.25 -1.65 0.00 0.00 177.43 177.05 1nqu h LEU 149 N 0.88 0.32 -1.84 1.61 5.85 -0.61 -2.61 115.31 118.91 1nqu h LEU 149 Ca 0.21 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 1nqu h LEU 149 Cb 0.23 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 1nqu h LEU 149 CO -0.01 0.23 -0.10 -0.26 -0.34 0.00 0.00 178.44 177.95 1nqu h PHE 150 N 0.44 0.00 -0.31 1.25 -1.00 -0.57 -0.67 116.94 116.08 1nqu h PHE 150 Ca 0.18 0.00 0.09 0.00 2.81 0.00 0.00 57.97 61.05 1nqu h PHE 150 Cb 0.08 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.63 1nqu h PHE 150 CO -0.10 0.10 0.23 0.87 -1.61 0.00 0.00 178.31 177.81 1nqu h LYS 151 N 0.00 0.00 0.00 1.51 1.57 -1.02 -1.45 116.57 117.18 1nqu h LYS 151 Ca -0.00 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.52 1nqu h LYS 151 Cb 0.39 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.65 1nqu h LYS 151 CO 0.01 0.00 -1.99 -1.13 -0.57 0.00 0.00 179.45 175.78 1nqu n SER 152 N -4.39 1.42 0.10 0.86 3.41 -0.74 -4.73 113.62 109.55 1nqu n SER 152 Ca 0.04 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.48 1nqu n SER 152 Cb 0.40 0.88 -0.14 0.00 -0.26 0.00 0.00 64.21 65.09 1nqu n SER 152 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1nqu h LEU 153 N 0.00 0.46 -0.03 1.04 5.85 -0.96 -3.53 115.31 118.14 1nqu h LEU 153 Ca -0.38 -0.53 0.00 0.00 0.84 0.00 0.00 57.88 57.81 1nqu h LEU 153 Cb 1.86 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.74 1nqu h LEU 153 CO 0.02 1.42 0.00 -1.14 -0.34 0.00 0.00 178.44 178.40