#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 4.49 -0.09 2.12 -0.21 -1.26 -5.05 119.66 119.66 1nqu s GLN 2 Ca 0.00 1.50 0.02 0.00 0.02 0.00 0.00 55.36 56.89 1nqu s GLN 2 Cb 0.00 -3.46 0.01 0.00 1.00 0.00 0.00 33.01 30.56 1nqu s GLN 2 CO 0.00 -0.17 -0.14 0.42 -2.12 0.00 0.00 175.29 173.28 1nqu s ILE 3 N 1.32 1.34 -0.11 1.08 1.01 -1.26 -5.12 121.20 119.46 1nqu s ILE 3 Ca 0.53 -0.56 0.02 0.00 0.00 0.00 0.00 60.65 60.64 1nqu s ILE 3 Cb -0.22 -1.23 -0.01 0.00 0.01 0.00 0.00 42.46 41.00 1nqu s ILE 3 CO 0.26 0.41 -0.17 -0.31 0.00 0.00 0.00 174.94 175.13 1nqu s TYR 4 N 0.93 2.71 0.17 3.97 1.51 -1.26 -5.12 117.35 120.25 1nqu s TYR 4 Ca -0.09 -0.70 -0.15 0.00 -1.01 0.00 0.00 57.07 55.13 1nqu s TYR 4 Cb -0.15 -1.77 0.02 0.00 -0.11 0.00 0.00 41.96 39.95 1nqu s TYR 4 CO -0.00 -0.22 0.42 -1.83 -1.11 0.00 0.00 175.55 172.81 1nqu s GLU 5 N 0.19 1.23 -0.14 -0.62 -1.05 -1.26 -5.11 118.70 111.94 1nqu s GLU 5 Ca -0.10 -0.92 -0.04 0.00 -0.15 0.00 0.00 54.97 53.76 1nqu s GLU 5 Cb -0.16 0.46 -0.03 0.00 -0.44 0.00 0.00 34.13 33.97 1nqu s GLU 5 CO 0.06 -0.49 -0.00 0.20 0.95 0.00 0.00 175.26 175.97 1nqu s GLY 6 N -2.88 1.80 1.05 -3.83 0.00 -1.26 -4.45 107.32 97.75 1nqu s GLY 6 Ca 0.10 -0.80 -0.17 0.00 0.00 0.00 0.00 44.72 43.85 1nqu s GLY 6 CO -0.04 -0.19 1.22 0.54 0.00 0.00 0.00 173.10 174.63 1nqu s LYS 7 N -0.00 -0.04 -0.03 2.90 1.02 -1.26 -4.85 119.74 117.47 1nqu s LYS 7 Ca 0.03 -0.21 0.10 0.00 0.02 0.00 0.00 55.97 55.90 1nqu s LYS 7 Cb -0.13 -1.75 0.28 0.00 -0.52 0.00 0.00 37.83 35.71 1nqu s LYS 7 CO 0.02 -2.90 1.23 1.28 -0.92 0.00 0.00 175.35 174.06 1nqu n LEU 8 N -4.15 2.87 -4.77 3.17 4.77 -1.26 -4.13 117.00 113.49 1nqu n LEU 8 Ca 0.14 -2.19 -0.39 0.00 -0.03 0.00 0.00 56.01 53.54 1nqu n LEU 8 Cb 0.59 -0.24 -0.06 0.00 -2.33 0.00 0.00 43.42 41.39 1nqu n LEU 8 CO 0.47 0.68 0.30 0.42 -1.33 0.00 0.00 177.39 177.92 1nqu s THR 9 N -1.34 4.85 -0.39 -5.08 -4.23 -1.26 -4.86 115.64 103.34 1nqu s THR 9 Ca 0.22 1.26 0.14 0.00 -1.18 0.00 0.00 61.69 62.13 1nqu s THR 9 Cb 0.14 -3.93 0.39 0.00 1.34 0.00 0.00 72.50 70.43 1nqu s THR 9 CO 0.11 0.45 1.31 0.00 -0.54 0.00 0.00 174.62 175.95 1nqu n ALA 10 N 2.48 2.58 -1.66 3.99 0.00 0.84 -4.98 120.51 123.76 1nqu n ALA 10 Ca -0.07 -1.88 -0.48 0.00 0.00 0.00 0.00 53.44 51.01 1nqu n ALA 10 Cb 0.51 -0.53 -0.05 0.00 0.00 0.00 0.00 19.45 19.38 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 -0.30 1.94 -0.64 0.00 2.13 -1.24 -1.56 120.64 120.97 1nqu n GLU 11 Ca 0.16 0.70 0.00 0.00 0.66 0.00 0.00 57.16 58.68 1nqu n GLU 11 Cb 0.67 -2.45 0.00 0.00 0.27 0.00 0.00 31.44 29.93 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 3.38 1.50 3.83 8.31 0.00 -1.26 -4.99 105.19 115.95 1nqu n GLY 12 Ca 0.18 0.00 -0.34 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 4.13 -0.10 0.99 1.43 -0.60 -5.06 118.68 119.46 1nqu s LEU 13 Ca 0.00 1.40 0.03 0.00 -1.03 0.00 0.00 54.13 54.53 1nqu s LEU 13 Cb 0.00 -4.02 0.01 0.00 0.03 0.00 0.00 46.19 42.21 1nqu s LEU 13 CO 0.00 -0.16 -0.18 -0.13 0.23 0.00 0.00 176.35 176.11 1nqu s ARG 14 N -2.72 2.49 0.01 1.70 0.52 -1.26 -4.59 118.95 115.10 1nqu s ARG 14 Ca 0.52 -0.67 0.07 0.00 -0.52 0.00 0.00 55.73 55.13 1nqu s ARG 14 Cb -0.12 -2.00 -0.02 0.00 0.52 0.00 0.00 34.95 33.33 1nqu s ARG 14 CO 0.18 0.03 -0.22 -0.06 0.02 0.00 0.00 175.30 175.25 1nqu s PHE 15 N 0.71 1.95 -0.12 -0.53 0.40 -0.82 -0.45 117.98 119.11 1nqu s PHE 15 Ca -0.12 -0.38 -0.05 0.00 -0.60 0.00 0.00 56.93 55.79 1nqu s PHE 15 Cb -0.16 -1.21 -0.04 0.00 0.51 0.00 0.00 43.02 42.12 1nqu s PHE 15 CO 0.02 0.03 0.06 0.20 0.70 0.00 0.00 175.22 176.24 1nqu s GLY 16 N -0.85 1.96 -0.11 4.36 0.00 -0.52 -0.53 107.32 111.64 1nqu s GLY 16 Ca 0.08 -0.74 0.03 0.00 0.00 0.00 0.00 44.72 44.09 1nqu s GLY 16 CO 0.00 -0.34 -0.19 -0.42 0.00 0.00 0.00 173.10 172.16 1nqu s ILE 17 N -0.58 1.72 -0.24 0.90 1.01 0.52 -0.06 121.20 124.47 1nqu s ILE 17 Ca 0.11 -0.80 -0.04 0.00 0.00 0.00 0.00 60.65 59.93 1nqu s ILE 17 Cb -0.12 -1.53 0.00 0.00 0.01 0.00 0.00 42.46 40.82 1nqu s ILE 17 CO 0.02 0.48 -0.03 -0.69 0.00 0.00 0.00 174.94 174.72 1nqu s VAL 18 N 0.72 3.31 -0.09 2.92 1.01 -0.54 -0.50 120.40 127.22 1nqu s VAL 18 Ca -0.11 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.22 1nqu s VAL 18 Cb -0.16 -2.57 0.02 0.00 0.00 0.00 0.00 36.38 33.66 1nqu s VAL 18 CO 0.02 0.32 -0.13 0.00 0.00 0.00 0.00 175.10 175.31 1nqu s ALA 19 N 1.44 1.52 0.58 5.51 0.00 -0.27 -0.59 121.76 129.95 1nqu s ALA 19 Ca 0.04 -0.61 -0.09 0.00 0.00 0.00 0.00 51.96 51.30 1nqu s ALA 19 Cb -0.15 -0.76 -0.03 0.00 0.00 0.00 0.00 23.12 22.18 1nqu s ALA 19 CO -0.03 -0.05 0.95 -1.54 0.00 0.00 0.00 175.76 175.09 1nqu s SER 20 N 0.96 6.08 -0.04 0.00 1.04 -0.90 -1.94 113.70 118.91 1nqu s SER 20 Ca -0.08 1.16 0.19 0.00 0.48 0.00 0.00 55.95 57.70 1nqu s SER 20 Cb -0.15 -2.26 -0.22 0.00 0.10 0.00 0.00 66.02 63.49 1nqu s SER 20 CO -0.00 -0.85 0.50 0.54 0.98 0.00 0.00 173.24 174.40 1nqu n ARG 21 N -2.61 0.65 -1.73 4.02 1.74 0.07 -4.76 116.66 114.05 1nqu n ARG 21 Ca 0.04 0.02 -0.42 0.00 -0.77 0.00 0.00 57.85 56.72 1nqu n ARG 21 Cb 0.55 -1.64 -0.02 0.00 -1.02 0.00 0.00 32.46 30.34 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 -2.65 2.68 -3.16 -1.55 7.35 -0.42 -1.29 117.46 118.41 1nqu n PHE 22 Ca -0.15 0.33 -0.23 0.00 -0.76 0.00 0.00 57.45 56.64 1nqu n PHE 22 Cb 0.84 -2.55 0.05 0.00 0.35 0.00 0.00 39.48 38.17 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 1.96 -6.20 0.14 -2.13 3.02 -1.26 -4.54 115.26 106.24 1nqu n ASN 23 Ca 0.08 -0.35 0.14 0.00 -0.03 0.00 0.00 54.58 54.42 1nqu n ASN 23 Cb 0.36 -4.97 0.67 0.00 -0.61 0.00 0.00 39.78 35.23 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 -1.73 0.00 0.00 3.10 2.07 -1.49 -0.64 115.15 116.46 1nqu h HIS 24 Ca -0.54 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 56.97 1nqu h HIS 24 Cb 1.37 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.34 1nqu h HIS 24 CO 0.52 0.00 -0.05 0.00 -3.07 0.00 0.00 177.93 175.32 1nqu h ALA 25 N 1.87 1.40 0.03 6.11 0.00 -1.90 0.18 119.26 126.96 1nqu h ALA 25 Ca 0.12 -0.05 -0.36 0.00 0.00 0.00 0.00 54.91 54.62 1nqu h ALA 25 Cb 0.49 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 1nqu h ALA 25 CO -0.00 0.07 -2.04 1.28 0.00 0.00 0.00 179.25 178.55 1nqu n LEU 26 N -3.74 2.33 -0.31 0.00 4.77 -0.36 -4.28 117.00 115.41 1nqu n LEU 26 Ca -0.02 0.23 0.05 0.00 -0.03 0.00 0.00 56.01 56.23 1nqu n LEU 26 Cb 0.15 -0.96 0.19 0.00 -2.33 0.00 0.00 43.42 40.48 1nqu n LEU 26 CO 0.28 0.65 1.16 0.58 -1.33 0.00 0.00 177.39 178.73 1nqu h VAL 27 N -0.51 0.89 -0.18 4.08 2.07 -0.94 -1.25 116.25 120.41 1nqu h VAL 27 Ca -0.51 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 66.74 1nqu h VAL 27 Cb 1.70 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 1nqu h VAL 27 CO -0.16 0.15 0.12 0.44 0.02 0.00 0.00 177.57 178.13 1nqu h ASP 28 N 0.82 0.18 -0.37 0.57 3.32 -0.85 -0.12 116.42 119.97 1nqu h ASP 28 Ca 0.43 -0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.32 1nqu h ASP 28 Cb 0.43 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 1nqu h ASP 28 CO -0.27 0.13 -0.38 0.03 -1.72 0.00 0.00 179.24 177.03 1nqu h ARG 29 N 0.21 0.93 -0.73 3.56 2.47 -1.42 -1.96 114.38 117.43 1nqu h ARG 29 Ca 0.07 -0.48 -0.00 0.00 -1.26 0.00 0.00 59.98 58.30 1nqu h ARG 29 Cb 0.02 0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 28.31 1nqu h ARG 29 CO -0.01 1.14 0.44 -0.07 0.56 0.00 0.00 179.97 182.03 1nqu h LEU 30 N 0.76 0.88 -0.51 3.04 3.38 -0.77 -1.38 115.31 120.71 1nqu h LEU 30 Ca 0.06 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1nqu h LEU 30 Cb 0.97 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1nqu h LEU 30 CO 0.09 0.68 0.22 0.58 0.09 0.00 0.00 178.44 180.10 1nqu h VAL 31 N 1.00 1.21 -0.76 1.22 2.07 -1.04 -0.36 116.25 119.58 1nqu h VAL 31 Ca 0.26 -0.63 0.05 0.00 0.82 0.00 0.00 66.70 67.20 1nqu h VAL 31 Cb -0.04 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 30.36 1nqu h VAL 31 CO -0.05 0.24 0.47 -0.33 0.02 0.00 0.00 177.57 177.92 1nqu h GLU 32 N 0.68 0.85 -0.51 1.57 5.08 -1.11 -1.47 114.58 119.67 1nqu h GLU 32 Ca 0.17 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.42 1nqu h GLU 32 Cb 0.17 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1nqu h GLU 32 CO -0.02 0.56 0.07 0.78 -1.00 0.00 0.00 179.01 179.40 1nqu h GLY 33 N 0.87 0.92 0.94 -3.84 0.00 -0.74 -1.60 103.07 99.62 1nqu h GLY 33 Ca 0.33 -0.62 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 1nqu h GLY 33 CO -0.15 0.58 0.15 0.00 0.00 0.00 0.00 176.54 177.11 1nqu h ALA 34 N 0.97 0.49 -0.32 3.60 0.00 -0.69 -0.55 119.26 122.76 1nqu h ALA 34 Ca 0.15 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1nqu h ALA 34 Cb 0.42 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1nqu h ALA 34 CO 0.01 0.10 0.05 0.82 0.00 0.00 0.00 179.25 180.23 1nqu h ILE 35 N 0.47 1.24 -0.59 0.00 2.04 -1.21 -1.60 117.51 117.86 1nqu h ILE 35 Ca 0.13 -0.83 0.01 0.00 1.00 0.00 0.00 64.86 65.16 1nqu h ILE 35 Cb 0.20 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 1nqu h ILE 35 CO -0.01 0.27 0.39 -0.78 0.00 0.00 0.00 178.15 178.02 1nqu h ASP 36 N 0.37 0.67 -0.20 1.72 3.58 -1.10 -0.29 116.42 121.17 1nqu h ASP 36 Ca 0.10 -0.02 0.03 0.00 0.42 0.00 0.00 57.03 57.57 1nqu h ASP 36 Cb 0.36 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.21 1nqu h ASP 36 CO 0.01 0.48 -0.01 0.00 -2.88 0.00 0.00 179.24 176.85 1nqu h ILE 38 N 0.06 0.76 -0.45 0.00 2.04 -0.84 -2.35 117.51 116.72 1nqu h ILE 38 Ca 0.09 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.92 1nqu h ILE 38 Cb 0.12 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 1nqu h ILE 38 CO -0.16 0.00 0.14 0.58 0.00 0.00 0.00 178.15 178.71 1nqu h VAL 39 N -0.31 1.22 0.00 1.67 2.07 -0.91 -0.56 116.25 119.44 1nqu h VAL 39 Ca -0.03 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1nqu h VAL 39 Cb 0.25 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1nqu h VAL 39 CO 0.04 0.27 0.00 0.54 0.02 0.00 0.00 177.57 178.44 1nqu n ARG 40 N -4.54 0.04 -0.06 1.57 1.74 -0.23 -1.50 116.66 113.68 1nqu n ARG 40 Ca 0.01 0.02 0.12 0.00 -0.77 0.00 0.00 57.85 57.23 1nqu n ARG 40 Cb 0.19 -1.50 0.40 0.00 -1.02 0.00 0.00 32.46 30.53 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 -1.48 0.16 0.00 -1.55 8.25 -0.89 -4.93 115.22 114.79 1nqu n HIS 41 Ca 0.07 -0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1nqu n HIS 41 Cb 0.31 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.42 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 1.17 0.67 3.79 -1.41 0.00 -0.56 -0.11 105.19 108.74 1nqu n GLY 42 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.81 2.63 0.09 -0.02 0.00 -0.25 -3.63 107.32 105.33 1nqu s GLY 43 Ca 0.00 0.59 -0.23 0.00 0.00 0.00 0.00 44.72 45.08 1nqu s GLY 43 CO 0.00 0.97 0.68 0.50 0.00 0.00 0.00 173.10 175.25 1nqu s ARG 44 N -2.72 4.40 0.47 2.90 0.52 -1.26 -4.09 118.95 119.16 1nqu s ARG 44 Ca 0.59 0.95 0.13 0.00 -0.52 0.00 0.00 55.73 56.88 1nqu s ARG 44 Cb -0.18 -3.28 1.07 0.00 0.52 0.00 0.00 34.95 33.09 1nqu s ARG 44 CO 0.22 0.53 2.08 1.05 0.02 0.00 0.00 175.30 179.20 1nqu h GLU 45 N 4.76 0.16 0.00 3.54 -0.00 -1.95 -0.68 114.58 120.40 1nqu h GLU 45 Ca -0.47 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 58.87 1nqu h GLU 45 Cb 1.21 -0.03 0.00 0.00 -0.00 0.00 0.00 28.75 29.93 1nqu h GLU 45 CO 0.66 0.16 0.00 0.93 -0.00 0.00 0.00 179.01 180.76 1nqu h GLU 46 N 0.16 0.00 -0.57 1.06 3.07 -2.00 -1.78 114.58 114.52 1nqu h GLU 46 Ca 0.04 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 1nqu h GLU 46 Cb 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.99 1nqu h GLU 46 CO -0.00 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.36 1nqu n ASP 47 N -2.84 3.06 -4.85 1.42 8.00 -0.26 -4.85 116.55 116.23 1nqu n ASP 47 Ca -0.01 -2.00 -0.37 0.00 0.71 0.00 0.00 54.79 53.13 1nqu n ASP 47 Cb 0.17 -0.38 -0.06 0.00 -0.02 0.00 0.00 41.12 40.83 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 -1.24 5.47 -0.19 0.53 1.01 -0.67 -1.95 121.20 124.16 1nqu s ILE 48 Ca 0.38 0.20 -0.01 0.00 0.00 0.00 0.00 60.65 61.23 1nqu s ILE 48 Cb 0.20 -3.40 0.01 0.00 0.01 0.00 0.00 42.46 39.27 1nqu s ILE 48 CO 0.26 0.59 -0.15 -0.89 0.00 0.00 0.00 174.94 174.75 1nqu s THR 49 N -0.77 2.55 -0.19 2.92 2.01 0.31 -4.98 115.64 117.50 1nqu s THR 49 Ca 0.14 -0.78 -0.05 0.00 0.31 0.00 0.00 61.69 61.30 1nqu s THR 49 Cb -0.12 -2.10 -0.03 0.00 0.01 0.00 0.00 72.50 70.26 1nqu s THR 49 CO 0.03 0.50 0.00 -0.22 -0.69 0.00 0.00 174.62 174.24 1nqu s LEU 50 N 1.27 3.37 -0.13 4.42 2.96 -1.26 -0.36 118.68 128.95 1nqu s LEU 50 Ca 0.03 -0.13 0.02 0.00 -0.22 0.00 0.00 54.13 53.84 1nqu s LEU 50 Cb -0.14 -1.84 0.00 0.00 0.50 0.00 0.00 46.19 44.71 1nqu s LEU 50 CO -0.08 0.11 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.17 1nqu s VAL 51 N 0.72 2.23 -0.12 1.68 1.01 0.35 -4.97 120.40 121.30 1nqu s VAL 51 Ca 0.00 -0.93 -0.07 0.00 0.00 0.00 0.00 61.98 60.98 1nqu s VAL 51 Cb -0.14 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 1nqu s VAL 51 CO 0.02 0.54 0.13 -0.13 0.00 0.00 0.00 175.10 175.66 1nqu s ARG 52 N 0.66 3.41 0.15 2.72 0.52 -1.26 -1.11 118.95 124.04 1nqu s ARG 52 Ca -0.10 -0.16 0.02 0.00 -0.52 0.00 0.00 55.73 54.98 1nqu s ARG 52 Cb -0.16 -3.16 -0.05 0.00 0.52 0.00 0.00 34.95 32.11 1nqu s ARG 52 CO 0.02 0.77 -0.03 0.14 0.02 0.00 0.00 175.30 176.22 1nqu s VAL 53 N -1.00 0.76 0.08 3.52 -7.23 -0.82 -4.95 120.40 110.76 1nqu s VAL 53 Ca 0.15 -1.98 -0.28 0.00 -1.81 0.00 0.00 61.98 58.06 1nqu s VAL 53 Cb -0.12 -1.98 -0.17 0.00 0.56 0.00 0.00 36.38 34.67 1nqu s VAL 53 CO 0.04 -0.61 1.67 -0.65 -0.31 0.00 0.00 175.10 175.25 1nqu h PRO 54 N 2.77 -0.41 -4.44 4.82 0.11 -1.94 0.23 132.00 133.14 1nqu h PRO 54 Ca -0.36 0.03 -0.31 0.00 0.11 0.00 0.00 66.00 65.47 1nqu h PRO 54 Cb 1.19 0.09 -0.11 0.00 0.11 0.00 0.00 31.00 32.28 1nqu h PRO 54 CO 0.63 -0.27 -0.39 0.20 -0.21 0.00 0.00 178.00 177.97 1nqu s GLY 55 N -2.15 1.66 0.35 -0.55 0.00 -1.26 -1.30 107.32 104.07 1nqu s GLY 55 Ca -0.15 -1.68 0.07 0.00 0.00 0.00 0.00 44.72 42.95 1nqu s GLY 55 CO 0.64 -1.21 1.92 1.76 0.00 0.00 0.00 173.10 176.21 1nqu h SER 56 N 2.26 0.68 -1.00 1.64 0.02 -1.91 -1.55 113.55 113.69 1nqu h SER 56 Ca -0.29 0.02 0.21 0.00 -0.84 0.00 0.00 61.79 60.88 1nqu h SER 56 Cb 1.24 -0.13 -0.10 0.00 0.14 0.00 0.00 62.40 63.55 1nqu h SER 56 CO 0.41 0.41 0.61 -0.25 -1.14 0.00 0.00 176.83 176.88 1nqu h TRP 57 N 0.76 0.98 -0.00 3.45 2.91 -1.96 -1.61 115.95 120.48 1nqu h TRP 57 Ca 0.36 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.42 1nqu h TRP 57 Cb 0.41 -0.29 0.00 0.00 -0.51 0.00 0.00 29.16 28.77 1nqu h TRP 57 CO -0.00 0.19 -0.18 0.39 -1.03 0.00 0.00 178.44 177.80 1nqu n GLU 58 N -4.75 0.17 -0.04 2.65 4.71 -0.59 -4.24 120.64 118.55 1nqu n GLU 58 Ca 0.24 -0.05 -0.09 0.00 -0.01 0.00 0.00 57.16 57.24 1nqu n GLU 58 Cb 0.63 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.54 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 0.13 0.96 -0.34 -3.67 2.04 -1.23 -3.16 117.51 112.24 1nqu h ILE 59 Ca 0.00 -0.06 0.03 0.00 1.00 0.00 0.00 64.86 65.82 1nqu h ILE 59 Cb 0.46 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 1nqu h ILE 59 CO 0.00 0.03 0.16 -0.65 0.00 0.00 0.00 178.15 177.69 1nqu h PRO 60 N 0.18 0.33 -0.53 2.37 0.11 -1.76 0.81 132.00 133.50 1nqu h PRO 60 Ca 0.09 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.14 1nqu h PRO 60 Cb 0.05 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.06 1nqu h PRO 60 CO -0.08 0.22 0.20 -0.24 -0.21 0.00 0.00 178.00 177.88 1nqu h VAL 61 N 0.34 1.20 -0.28 3.15 3.04 -1.83 0.61 116.25 122.47 1nqu h VAL 61 Ca 0.14 -0.65 -0.18 0.00 -1.01 0.00 0.00 66.70 65.00 1nqu h VAL 61 Cb 0.06 0.58 -0.00 0.00 -2.01 0.00 0.00 31.29 29.93 1nqu h VAL 61 CO -0.10 0.25 -0.54 0.00 -1.01 0.00 0.00 177.57 176.17 1nqu h ALA 62 N 1.45 0.50 -0.60 3.17 0.00 -1.43 -2.96 119.26 119.39 1nqu h ALA 62 Ca 0.18 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1nqu h ALA 62 Cb 0.18 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1nqu h ALA 62 CO -0.01 0.68 0.32 0.00 0.00 0.00 0.00 179.25 180.24 1nqu h ALA 63 N 0.73 1.44 -0.96 0.00 0.00 -0.09 -2.08 119.26 118.31 1nqu h ALA 63 Ca 0.02 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1nqu h ALA 63 Cb 1.14 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 1nqu h ALA 63 CO 0.12 0.46 0.63 0.78 0.00 0.00 0.00 179.25 181.24 1nqu h GLY 64 N 0.90 1.36 1.06 0.00 0.00 -0.82 0.18 103.07 105.75 1nqu h GLY 64 Ca 0.21 -0.49 -0.13 0.00 0.00 0.00 0.00 47.33 46.92 1nqu h GLY 64 CO -0.03 0.46 -0.25 0.83 0.00 0.00 0.00 176.54 177.55 1nqu h GLU 65 N 1.26 0.88 -0.38 4.80 4.39 -1.24 -2.78 114.58 121.51 1nqu h GLU 65 Ca 0.36 -0.41 -0.11 0.00 0.34 0.00 0.00 59.36 59.54 1nqu h GLU 65 Cb -0.09 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 1nqu h GLU 65 CO -0.09 1.06 -0.19 -0.07 -1.16 0.00 0.00 179.01 178.55 1nqu h LEU 66 N 0.69 0.83 -1.70 1.33 3.38 -1.07 -3.03 115.31 115.74 1nqu h LEU 66 Ca 0.08 -0.41 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 1nqu h LEU 66 Cb 0.82 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 1nqu h LEU 66 CO 0.07 1.06 -0.11 0.00 0.09 0.00 0.00 178.44 179.54 1nqu h ALA 67 N 0.80 1.12 0.00 1.53 0.00 -0.68 -1.65 119.26 120.39 1nqu h ALA 67 Ca 0.08 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1nqu h ALA 67 Cb 0.75 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1nqu h ALA 67 CO 0.06 0.14 0.00 0.54 0.00 0.00 0.00 179.25 179.99 1nqu n ARG 68 N -3.40 0.14 -2.35 0.00 1.74 -1.05 -4.79 116.66 106.96 1nqu n ARG 68 Ca -0.01 0.20 -0.42 0.00 -0.77 0.00 0.00 57.85 56.85 1nqu n ARG 68 Cb 0.29 -1.70 -0.03 0.00 -1.02 0.00 0.00 32.46 30.00 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 -3.10 4.38 0.49 5.56 1.02 -0.62 -4.92 119.74 122.55 1nqu s LYS 69 Ca 0.10 1.85 0.26 0.00 0.02 0.00 0.00 55.97 58.20 1nqu s LYS 69 Cb 0.13 -3.37 1.26 0.00 -0.52 0.00 0.00 37.83 35.33 1nqu s LYS 69 CO 0.49 -0.35 1.99 1.49 -0.92 0.00 0.00 175.35 178.05 1nqu h GLU 70 N 6.98 0.00 -0.67 1.68 4.22 -1.88 -2.55 114.58 122.36 1nqu h GLU 70 Ca -0.41 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.03 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 0.84 0.16 0.00 -0.40 -2.18 0.00 0.00 179.01 177.43 1nqu n ASP 71 N -3.57 4.31 -4.22 1.04 5.75 -1.26 -4.77 116.55 113.83 1nqu n ASP 71 Ca -0.01 -2.60 -0.34 0.00 -0.01 0.00 0.00 54.79 51.83 1nqu n ASP 71 Cb 0.30 -0.61 -0.15 0.00 -1.03 0.00 0.00 41.12 39.64 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 -2.18 2.70 -0.07 2.12 -1.09 -0.96 -4.77 121.20 116.96 1nqu s ILE 72 Ca 0.40 -0.72 0.14 0.00 -2.23 0.00 0.00 60.65 58.23 1nqu s ILE 72 Cb 0.29 -2.19 -0.10 0.00 -1.58 0.00 0.00 42.46 38.88 1nqu s ILE 72 CO 0.13 0.49 1.08 0.44 -1.23 0.00 0.00 174.94 175.84 1nqu h ASP 73 N 7.95 0.00 -4.86 3.58 3.32 -1.06 -3.47 116.42 121.88 1nqu h ASP 73 Ca -0.43 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.61 1nqu h ASP 73 Cb 1.15 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.54 1nqu h ASP 73 CO 0.62 0.70 0.27 0.00 -1.72 0.00 0.00 179.24 179.10 1nqu s ALA 74 N -2.84 -1.74 -0.04 3.45 0.00 -1.22 -4.47 121.76 114.89 1nqu s ALA 74 Ca -0.00 1.05 0.06 0.00 0.00 0.00 0.00 51.96 53.07 1nqu s ALA 74 Cb 0.08 0.25 -0.02 0.00 0.00 0.00 0.00 23.12 23.43 1nqu s ALA 74 CO 0.80 -0.52 -0.21 0.08 0.00 0.00 0.00 175.76 175.90 1nqu s VAL 75 N -2.20 2.43 -0.21 0.00 1.01 -0.73 -1.44 120.40 119.26 1nqu s VAL 75 Ca -0.04 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 60.96 1nqu s VAL 75 Cb -0.00 -1.90 -0.00 0.00 0.00 0.00 0.00 36.38 34.48 1nqu s VAL 75 CO -0.00 0.58 -0.09 -0.63 0.00 0.00 0.00 175.10 174.96 1nqu s ILE 76 N -0.52 3.02 -0.23 2.22 1.01 0.91 -0.31 121.20 127.30 1nqu s ILE 76 Ca 0.07 -0.62 -0.13 0.00 0.00 0.00 0.00 60.65 59.97 1nqu s ILE 76 Cb -0.11 -2.35 -0.05 0.00 0.01 0.00 0.00 42.46 39.97 1nqu s ILE 76 CO 0.01 0.46 0.26 0.00 0.00 0.00 0.00 174.94 175.67 1nqu s ALA 77 N 1.38 3.59 -0.10 9.38 0.00 -0.66 -1.47 121.76 133.87 1nqu s ALA 77 Ca 0.05 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.27 1nqu s ALA 77 Cb -0.14 -2.46 0.02 0.00 0.00 0.00 0.00 23.12 20.54 1nqu s ALA 77 CO -0.05 -0.25 -0.09 0.42 0.00 0.00 0.00 175.76 175.78 1nqu s ILE 78 N 1.20 1.05 0.21 0.00 1.01 0.24 -0.00 121.20 124.90 1nqu s ILE 78 Ca 0.12 -0.34 -0.23 0.00 0.00 0.00 0.00 60.65 60.20 1nqu s ILE 78 Cb -0.14 -1.03 0.05 0.00 0.01 0.00 0.00 42.46 41.34 1nqu s ILE 78 CO 0.06 0.36 0.83 -0.83 0.00 0.00 0.00 174.94 175.36 1nqu s GLY 79 N 1.38 -0.19 -0.18 6.18 0.00 -1.18 -2.11 107.32 111.22 1nqu s GLY 79 Ca -0.01 -0.03 -0.03 0.00 0.00 0.00 0.00 44.72 44.66 1nqu s GLY 79 CO -0.05 -0.02 0.03 0.14 0.00 0.00 0.00 173.10 173.21 1nqu s VAL 80 N -3.59 0.50 -0.20 1.40 1.01 -1.26 -0.96 120.40 117.30 1nqu s VAL 80 Ca 0.11 -0.48 -0.09 0.00 0.00 0.00 0.00 61.98 61.52 1nqu s VAL 80 Cb -0.03 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 1nqu s VAL 80 CO 0.03 -0.16 0.10 -0.76 0.00 0.00 0.00 175.10 174.31 1nqu s LEU 81 N 1.88 3.97 -0.07 3.92 1.43 0.21 -4.71 118.68 125.30 1nqu s LEU 81 Ca -0.00 0.12 0.02 0.00 -1.03 0.00 0.00 54.13 53.24 1nqu s LEU 81 Cb -0.17 -2.02 0.01 0.00 0.03 0.00 0.00 46.19 44.05 1nqu s LEU 81 CO -0.08 0.16 -0.13 -0.63 0.23 0.00 0.00 176.35 175.90 1nqu s ILE 82 N 0.49 1.22 0.26 -0.59 1.01 -1.26 -0.73 121.20 121.61 1nqu s ILE 82 Ca 0.05 -0.52 -0.30 0.00 0.00 0.00 0.00 60.65 59.88 1nqu s ILE 82 Cb -0.12 -1.12 -0.11 0.00 0.01 0.00 0.00 42.46 41.12 1nqu s ILE 82 CO 0.00 0.38 1.58 -0.60 0.00 0.00 0.00 174.94 176.30 1nqu s ARG 83 N 0.74 4.16 0.00 2.79 3.52 -0.17 -4.91 118.95 125.07 1nqu s ARG 83 Ca -0.13 2.51 0.00 0.00 -0.13 0.00 0.00 55.73 57.98 1nqu s ARG 83 Cb -0.16 -3.06 0.00 0.00 -1.56 0.00 0.00 34.95 30.17 1nqu s ARG 83 CO 0.03 -0.61 0.00 0.41 -0.81 0.00 0.00 175.30 174.32 1nqu n GLY 84 N 2.62 2.33 0.14 8.12 0.00 -1.26 -4.82 105.19 112.33 1nqu n GLY 84 Ca 0.10 -2.00 0.02 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 -0.84 0.72 -1.31 4.61 0.00 -2.00 -3.46 119.26 116.97 1nqu h ALA 85 Ca 0.00 -0.48 -0.51 0.00 0.00 0.00 0.00 54.91 53.92 1nqu h ALA 85 Cb 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1nqu h ALA 85 CO 0.00 0.67 -0.35 0.95 0.00 0.00 0.00 179.25 180.52 1nqu s THR 86 N -3.10 2.44 -2.00 0.00 -4.23 -1.26 -5.01 115.64 102.49 1nqu s THR 86 Ca 0.03 -1.36 0.02 0.00 -1.18 0.00 0.00 61.69 59.20 1nqu s THR 86 Cb 0.09 -2.80 0.07 0.00 1.34 0.00 0.00 72.50 71.20 1nqu s THR 86 CO 0.74 0.00 0.78 -0.81 -0.54 0.00 0.00 174.62 174.79 1nqu n PRO 87 N -1.62 0.66 -0.23 3.99 -0.05 -1.26 -4.14 135.00 132.35 1nqu n PRO 87 Ca 0.03 0.00 0.04 0.00 -0.05 0.00 0.00 63.50 63.52 1nqu n PRO 87 Cb 0.62 -1.06 0.15 0.00 -0.05 0.00 0.00 33.50 33.16 1nqu n PRO 87 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 175.50 176.70 1nqu h HIS 88 N 0.00 0.09 -0.71 0.54 2.76 -1.95 -0.64 115.15 115.24 1nqu h HIS 88 Ca 0.00 0.05 0.14 0.00 -2.20 0.00 0.00 60.37 58.36 1nqu h HIS 88 Cb 0.00 0.07 -0.10 0.00 1.55 0.00 0.00 27.41 28.93 1nqu h HIS 88 CO 0.00 -0.15 0.21 0.35 -1.30 0.00 0.00 177.93 177.04 1nqu h PHE 89 N 0.18 0.34 -0.37 5.26 3.57 -1.91 -2.00 116.94 122.00 1nqu h PHE 89 Ca 0.38 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.92 1nqu h PHE 89 Cb 0.65 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.33 1nqu h PHE 89 CO -0.33 -0.02 0.22 -0.44 -2.23 0.00 0.00 178.31 175.50 1nqu h ASP 90 N 0.32 0.45 -0.45 0.41 3.45 -1.42 0.41 116.42 119.59 1nqu h ASP 90 Ca 0.39 -0.06 -0.12 0.00 0.43 0.00 0.00 57.03 57.66 1nqu h ASP 90 Cb 0.62 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 39.26 1nqu h ASP 90 CO -0.45 0.38 -0.19 1.88 -1.57 0.00 0.00 179.24 179.29 1nqu h TYR 91 N 0.48 1.07 -0.19 4.55 0.05 -1.26 0.23 116.97 121.90 1nqu h TYR 91 Ca 0.13 -0.26 -0.03 0.00 0.05 0.00 0.00 58.73 58.62 1nqu h TYR 91 Cb 0.02 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 37.50 1nqu h TYR 91 CO -0.03 1.06 -0.01 0.82 -1.05 0.00 0.00 178.16 178.95 1nqu h ILE 92 N 0.77 1.26 -0.74 -2.88 2.04 -1.23 -2.21 117.51 114.53 1nqu h ILE 92 Ca 0.10 -0.90 -0.02 0.00 1.00 0.00 0.00 64.86 65.04 1nqu h ILE 92 Cb 0.76 1.48 -0.03 0.00 -0.74 0.00 0.00 36.82 38.28 1nqu h ILE 92 CO 0.06 0.27 0.39 0.00 0.00 0.00 0.00 178.15 178.88 1nqu h ALA 93 N 0.77 0.95 -0.23 1.87 0.00 -0.82 0.15 119.26 121.95 1nqu h ALA 93 Ca 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1nqu h ALA 93 Cb 0.41 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1nqu h ALA 93 CO 0.01 0.47 0.14 0.77 0.00 0.00 0.00 179.25 180.65 1nqu h SER 94 N 1.02 0.27 0.74 0.00 0.02 -0.92 -2.22 113.55 112.45 1nqu h SER 94 Ca 0.26 -0.03 -0.16 0.00 -0.84 0.00 0.00 61.79 61.02 1nqu h SER 94 Cb 0.06 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 1nqu h SER 94 CO -0.04 0.22 -0.74 -0.33 -1.14 0.00 0.00 176.83 174.80 1nqu h GLU 95 N 0.29 0.00 -0.27 3.45 4.39 -0.95 -0.95 114.58 120.54 1nqu h GLU 95 Ca 0.08 -0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.66 1nqu h GLU 95 Cb -0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1nqu h GLU 95 CO -0.02 0.74 -0.27 0.28 -1.16 0.00 0.00 179.01 178.59 1nqu h VAL 96 N 0.00 1.31 -0.29 3.13 2.07 -0.94 -0.57 116.25 120.95 1nqu h VAL 96 Ca -0.01 -1.44 -0.04 0.00 0.82 0.00 0.00 66.70 66.03 1nqu h VAL 96 Cb 1.31 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.68 1nqu h VAL 96 CO 0.10 0.46 0.02 0.77 0.02 0.00 0.00 177.57 178.94 1nqu h SER 97 N 0.40 0.49 -0.37 0.57 4.64 -1.40 -1.99 113.55 115.88 1nqu h SER 97 Ca 0.04 -0.29 -0.01 0.00 -0.47 0.00 0.00 61.79 61.07 1nqu h SER 97 Cb 0.84 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.78 1nqu h SER 97 CO 0.07 0.65 0.21 0.50 -0.87 0.00 0.00 176.83 177.39 1nqu h LYS 98 N 0.30 0.52 -0.15 4.77 3.64 -1.13 -2.06 116.57 122.46 1nqu h LYS 98 Ca 0.09 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1nqu h LYS 98 Cb 0.39 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1nqu h LYS 98 CO 0.01 0.41 0.09 0.78 -2.27 0.00 0.00 179.45 178.47 1nqu h GLY 99 N 0.48 0.20 0.98 5.01 0.00 -1.02 0.18 103.07 108.91 1nqu h GLY 99 Ca 0.13 -0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.38 1nqu h GLY 99 CO -0.02 0.06 0.26 1.41 0.00 0.00 0.00 176.54 178.25 1nqu h LEU 100 N 0.18 0.72 -0.49 3.11 3.38 -1.29 -0.53 115.31 120.39 1nqu h LEU 100 Ca 0.06 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 1nqu h LEU 100 Cb -0.01 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1nqu h LEU 100 CO -0.03 0.65 0.08 0.00 0.09 0.00 0.00 178.44 179.24 1nqu h ALA 101 N 1.10 0.65 -0.67 1.53 0.00 -1.14 -1.77 119.26 118.96 1nqu h ALA 101 Ca 0.19 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1nqu h ALA 101 Cb 0.12 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1nqu h ALA 101 CO -0.02 0.38 0.19 -0.91 0.00 0.00 0.00 179.25 178.89 1nqu h ASN 102 N 0.68 0.99 -0.66 0.00 -0.26 -0.78 -2.60 115.58 112.95 1nqu h ASN 102 Ca 0.15 -0.22 -0.07 0.00 -0.56 0.00 0.00 56.30 55.60 1nqu h ASN 102 Cb 0.39 -0.26 -0.03 0.00 -1.06 0.00 0.00 38.32 37.36 1nqu h ASN 102 CO 0.01 0.95 0.15 -0.07 -1.06 0.00 0.00 177.43 177.41 1nqu h LEU 103 N 0.98 1.02 -0.70 1.61 3.38 -0.90 0.72 115.31 121.41 1nqu h LEU 103 Ca 0.21 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1nqu h LEU 103 Cb 0.32 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 1nqu h LEU 103 CO -0.00 0.99 0.46 -1.28 0.09 0.00 0.00 178.44 178.69 1nqu h SER 104 N 1.02 0.78 -0.17 -0.43 0.87 -1.09 0.28 113.55 114.81 1nqu h SER 104 Ca 0.21 -0.01 -0.15 0.00 -1.23 0.00 0.00 61.79 60.61 1nqu h SER 104 Cb 0.37 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 1nqu h SER 104 CO 0.00 0.55 -0.49 -0.07 -0.53 0.00 0.00 176.83 176.30 1nqu h LEU 105 N 0.92 0.73 -0.51 2.23 3.38 -1.09 -0.25 115.31 120.72 1nqu h LEU 105 Ca 0.27 -0.59 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 1nqu h LEU 105 Cb -0.06 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1nqu h LEU 105 CO -0.08 1.19 0.29 -0.08 0.09 0.00 0.00 178.44 179.85 1nqu h GLU 106 N 0.30 0.71 -0.02 1.13 4.81 -0.60 -3.00 114.58 117.92 1nqu h GLU 106 Ca -0.01 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1nqu h GLU 106 Cb 1.11 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.35 1nqu h GLU 106 CO 0.11 0.54 -0.06 1.28 -0.73 0.00 0.00 179.01 180.14 1nqu n LEU 107 N -4.66 1.82 -3.89 1.64 4.77 0.06 -4.95 117.00 111.79 1nqu n LEU 107 Ca 0.02 -0.60 -0.29 0.00 -0.03 0.00 0.00 56.01 55.11 1nqu n LEU 107 Cb 0.07 -0.02 -0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1nqu n LEU 107 CO 0.36 0.31 -0.19 0.54 -1.33 0.00 0.00 177.39 177.08 1nqu n ARG 108 N 0.33 -2.38 -3.77 3.23 1.74 -0.15 -4.98 116.66 110.68 1nqu n ARG 108 Ca 0.16 0.38 -0.13 0.00 -0.77 0.00 0.00 57.85 57.50 1nqu n ARG 108 Cb 0.42 -4.22 -0.12 0.00 -1.02 0.00 0.00 32.46 27.52 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 -6.48 0.29 0.19 5.56 2.20 -0.91 -5.06 119.74 115.54 1nqu s LYS 109 Ca 0.18 0.39 -0.31 0.00 -0.36 0.00 0.00 55.97 55.87 1nqu s LYS 109 Cb -0.07 0.11 -0.10 0.00 -1.51 0.00 0.00 37.83 36.26 1nqu s LYS 109 CO 0.89 -0.06 1.53 -2.14 -0.36 0.00 0.00 175.35 175.21 1nqu s PRO 110 N 0.32 4.23 -0.13 4.03 0.02 -1.26 -4.48 135.00 137.73 1nqu s PRO 110 Ca -0.01 2.35 -0.01 0.00 0.02 0.00 0.00 61.00 63.35 1nqu s PRO 110 Cb -0.03 -3.14 0.03 0.00 0.02 0.00 0.00 34.50 31.39 1nqu s PRO 110 CO -0.01 -0.55 -0.05 0.42 -0.33 0.00 0.00 177.00 176.48 1nqu s ILE 111 N 0.75 0.91 0.28 2.83 1.01 -1.26 -1.77 121.20 123.96 1nqu s ILE 111 Ca 0.66 -0.37 0.06 0.00 0.00 0.00 0.00 60.65 61.00 1nqu s ILE 111 Cb -0.43 -1.05 -0.02 0.00 0.01 0.00 0.00 42.46 40.96 1nqu s ILE 111 CO 0.36 0.22 0.40 0.42 0.00 0.00 0.00 174.94 176.34 1nqu s THR 112 N 1.73 4.77 -0.54 2.92 -4.23 0.58 -4.94 115.64 115.93 1nqu s THR 112 Ca 0.03 -0.99 -0.03 0.00 -1.18 0.00 0.00 61.69 59.51 1nqu s THR 112 Cb -0.14 -3.67 0.14 0.00 1.34 0.00 0.00 72.50 70.17 1nqu s THR 112 CO -0.08 -0.26 0.35 0.12 -0.54 0.00 0.00 174.62 174.22 1nqu s PHE 113 N -2.06 3.48 -0.42 3.99 5.36 -1.26 -1.65 117.98 125.41 1nqu s PHE 113 Ca 0.39 -2.56 0.05 0.00 -0.96 0.00 0.00 56.93 53.84 1nqu s PHE 113 Cb -0.09 -3.23 0.50 0.00 -0.34 0.00 0.00 43.02 39.86 1nqu s PHE 113 CO 0.30 -0.90 1.62 0.41 -1.46 0.00 0.00 175.22 175.19 1nqu n GLY 114 N 3.96 5.50 3.56 13.12 0.00 0.99 -4.73 105.19 127.59 1nqu n GLY 114 Ca 0.03 -1.87 -0.40 0.00 0.00 0.00 0.00 46.02 43.79 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 -4.03 5.20 0.19 1.61 1.01 -1.21 -3.10 120.40 120.08 1nqu s VAL 115 Ca 0.53 0.11 -0.30 0.00 0.00 0.00 0.00 61.98 62.33 1nqu s VAL 115 Cb 0.45 -3.76 -0.08 0.00 0.00 0.00 0.00 36.38 32.99 1nqu s VAL 115 CO 0.02 -0.01 1.16 -0.63 0.00 0.00 0.00 175.10 175.64 1nqu s ILE 116 N 1.97 3.64 -0.49 2.22 1.01 -0.14 -4.93 121.20 124.49 1nqu s ILE 116 Ca 0.11 1.42 0.03 0.00 0.00 0.00 0.00 60.65 62.22 1nqu s ILE 116 Cb -0.16 -3.91 0.15 0.00 0.01 0.00 0.00 42.46 38.54 1nqu s ILE 116 CO 0.11 0.25 0.31 0.42 0.00 0.00 0.00 174.94 176.03 1nqu s THR 117 N -0.25 1.50 0.04 2.92 -4.23 -1.26 -0.62 115.64 113.74 1nqu s THR 117 Ca 0.51 -2.91 0.02 0.00 -1.18 0.00 0.00 61.69 58.12 1nqu s THR 117 Cb -0.32 -2.03 -0.04 0.00 1.34 0.00 0.00 72.50 71.46 1nqu s THR 117 CO 0.37 -0.98 0.08 0.00 -0.54 0.00 0.00 174.62 173.55 1nqu s ALA 118 N -0.06 3.57 0.14 3.99 0.00 0.09 -5.01 121.76 124.49 1nqu s ALA 118 Ca 0.22 -0.95 0.05 0.00 0.00 0.00 0.00 51.96 51.28 1nqu s ALA 118 Cb -0.15 -1.50 -0.12 0.00 0.00 0.00 0.00 23.12 21.36 1nqu s ALA 118 CO -0.07 0.73 1.32 -0.44 0.00 0.00 0.00 175.76 177.30 1nqu h ASP 119 N 3.64 0.09 -3.93 0.00 3.32 -1.93 -0.44 116.42 117.17 1nqu h ASP 119 Ca -0.48 -0.09 -0.35 0.00 0.02 0.00 0.00 57.03 56.14 1nqu h ASP 119 Cb 1.17 -0.03 -0.15 0.00 0.22 0.00 0.00 39.33 40.54 1nqu h ASP 119 CO 0.65 1.00 -0.72 0.42 -1.72 0.00 0.00 179.24 178.86 1nqu s THR 120 N -2.89 1.22 0.21 0.35 -4.23 -1.26 -3.96 115.64 105.07 1nqu s THR 120 Ca -0.01 -2.01 -0.10 0.00 -1.18 0.00 0.00 61.69 58.39 1nqu s THR 120 Cb 0.10 -1.80 0.15 0.00 1.34 0.00 0.00 72.50 72.29 1nqu s THR 120 CO 0.82 -0.69 1.86 0.25 -0.54 0.00 0.00 174.62 176.33 1nqu h LEU 121 N 2.89 0.79 -0.66 4.79 5.85 -1.92 -2.21 115.31 124.83 1nqu h LEU 121 Ca -0.37 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.41 1nqu h LEU 121 Cb 1.19 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.98 1nqu h LEU 121 CO 0.61 0.56 0.35 -0.08 -0.34 0.00 0.00 178.44 179.54 1nqu h GLU 122 N 0.93 0.61 -0.69 1.25 4.81 -1.99 -0.35 114.58 119.15 1nqu h GLU 122 Ca 0.28 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.44 1nqu h GLU 122 Cb -0.05 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.16 1nqu h GLU 122 CO -0.08 0.41 0.29 1.96 -0.73 0.00 0.00 179.01 180.85 1nqu h GLN 123 N 0.63 1.00 -0.44 1.92 4.20 -1.86 -0.15 115.11 120.41 1nqu h GLN 123 Ca 0.31 -0.16 -0.04 0.00 0.06 0.00 0.00 58.65 58.81 1nqu h GLN 123 Cb 0.24 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 1nqu h GLN 123 CO -0.21 0.80 0.10 0.00 -0.67 0.00 0.00 178.83 178.86 1nqu h ALA 124 N 1.33 0.59 -0.64 3.87 0.00 -0.72 -2.73 119.26 120.96 1nqu h ALA 124 Ca 0.23 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1nqu h ALA 124 Cb 0.16 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1nqu h ALA 124 CO -0.02 0.28 0.33 0.82 0.00 0.00 0.00 179.25 180.65 1nqu h ILE 125 N 0.59 1.21 -0.80 0.00 2.04 -0.61 -1.93 117.51 118.00 1nqu h ILE 125 Ca 0.14 -0.57 0.15 0.00 1.00 0.00 0.00 64.86 65.57 1nqu h ILE 125 Cb 0.33 0.41 -0.06 0.00 -0.74 0.00 0.00 36.82 36.77 1nqu h ILE 125 CO 0.00 0.24 0.53 -0.33 0.00 0.00 0.00 178.15 178.59 1nqu h GLU 126 N 0.88 0.49 -0.20 2.37 5.08 -0.86 -2.41 114.58 119.94 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 0.08 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1nqu h GLU 126 CO -0.03 0.33 0.00 0.54 -1.00 0.00 0.00 179.01 178.84 1nqu n ARG 127 N -4.51 2.32 -2.42 2.33 1.74 -0.79 -0.20 116.66 115.14 1nqu n ARG 127 Ca 0.15 -1.95 -0.30 0.00 -0.77 0.00 0.00 57.85 54.98 1nqu n ARG 127 Cb 0.51 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.48 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 1.25 5.38 -0.35 7.54 0.00 -0.83 -1.93 120.51 131.58 1nqu n ALA 128 Ca 0.17 -4.34 0.00 0.00 0.00 0.00 0.00 53.44 49.27 1nqu n ALA 128 Cb 0.57 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 19.08 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 -0.45 0.90 0.00 0.00 0.00 0.56 -4.72 105.19 101.47 1nqu n GLY 129 Ca 0.42 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.26 0.00 0.30 2.61 -2.24 -1.17 -4.92 114.28 106.59 1nqu n THR 130 Ca 0.00 0.00 0.17 0.00 -2.27 0.00 0.00 64.05 61.95 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 -0.50 -0.78 2.10 -1.81 -1.38 116.57 114.20 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 -0.11 0.00 -0.90 0.00 0.00 32.23 31.22 1nqu h LYS 131 CO 0.00 0.04 0.12 0.72 -2.00 0.00 0.00 179.45 178.33 1nqu n HIS 132 N -3.40 1.61 -3.43 0.07 8.25 0.73 -5.04 115.22 114.00 1nqu n HIS 132 Ca -0.02 -1.36 0.00 0.00 -0.26 0.00 0.00 57.72 56.08 1nqu n HIS 132 Cb 0.17 -0.55 0.00 0.00 1.12 0.00 0.00 29.99 30.73 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 -0.77 -1.14 2.71 -1.41 0.00 -0.52 -4.64 105.19 99.42 1nqu n GLY 133 Ca 0.35 -1.34 -0.27 0.00 0.00 0.00 0.00 46.02 44.77 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 2.58 0.50 1.61 3.84 -1.26 -0.32 114.94 117.90 1nqu s ASN 134 Ca 0.00 -0.67 0.27 0.00 0.21 0.00 0.00 52.86 52.68 1nqu s ASN 134 Cb 0.00 -0.49 1.30 0.00 -0.55 0.00 0.00 41.25 41.51 1nqu s ASN 134 CO 0.00 -0.30 1.99 0.50 -2.79 0.00 0.00 177.10 176.50 1nqu h LYS 135 N 8.30 0.00 -0.18 0.43 1.63 -1.70 -1.98 116.57 123.06 1nqu h LYS 135 Ca -0.16 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.59 1nqu h LYS 135 Cb 1.13 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.75 1nqu h LYS 135 CO 0.31 0.14 -0.08 0.78 -3.45 0.00 0.00 179.45 177.16 1nqu h GLY 136 N 1.35 0.40 0.78 5.01 0.00 -1.82 -0.86 103.07 107.93 1nqu h GLY 136 Ca -0.00 -0.36 0.04 0.00 0.00 0.00 0.00 47.33 47.01 1nqu h GLY 136 CO 0.02 0.32 0.24 -0.25 0.00 0.00 0.00 176.54 176.87 1nqu h TRP 137 N 0.07 0.44 -0.44 5.60 7.01 -1.56 -0.81 115.95 126.26 1nqu h TRP 137 Ca 0.04 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.04 1nqu h TRP 137 Cb 0.55 -0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 27.45 1nqu h TRP 137 CO 0.06 0.23 0.20 0.93 -2.79 0.00 0.00 178.44 177.07 1nqu h GLU 138 N 0.48 0.63 -0.16 2.65 5.08 -1.32 -0.80 114.58 121.14 1nqu h GLU 138 Ca 0.20 -0.10 -0.08 0.00 -1.00 0.00 0.00 59.36 58.38 1nqu h GLU 138 Cb 0.09 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1nqu h GLU 138 CO -0.13 0.55 -0.27 0.00 -1.00 0.00 0.00 179.01 178.16 1nqu h ALA 139 N 1.05 1.24 -0.27 3.43 0.00 -1.01 -1.51 119.26 122.19 1nqu h ALA 139 Ca 0.15 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 1nqu h ALA 139 Cb 0.13 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1nqu h ALA 139 CO -0.02 0.50 -0.16 0.00 0.00 0.00 0.00 179.25 179.57 1nqu h ALA 140 N 1.45 0.38 -0.73 0.00 0.00 -0.83 -1.45 119.26 118.08 1nqu h ALA 140 Ca 0.04 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1nqu h ALA 140 Cb 0.63 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1nqu h ALA 140 CO 0.05 0.28 0.46 1.25 0.00 0.00 0.00 179.25 181.29 1nqu h LEU 141 N 0.31 0.86 -0.87 0.00 5.85 -0.94 -0.67 115.31 119.86 1nqu h LEU 141 Ca 0.06 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.75 1nqu h LEU 141 Cb 0.69 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.45 1nqu h LEU 141 CO 0.05 0.65 0.57 -1.28 -0.34 0.00 0.00 178.44 178.09 1nqu h SER 142 N 1.00 0.96 -0.49 1.25 0.87 -1.18 -2.03 113.55 113.93 1nqu h SER 142 Ca 0.26 -0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.72 1nqu h SER 142 Cb -0.07 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.64 1nqu h SER 142 CO -0.05 0.68 -0.01 0.00 -0.53 0.00 0.00 176.83 176.92 1nqu h ALA 143 N 1.34 0.96 -0.12 6.23 0.00 -0.38 -0.06 119.26 127.23 1nqu h ALA 143 Ca 0.33 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1nqu h ALA 143 Cb -0.06 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1nqu h ALA 143 CO -0.09 0.63 -0.00 0.82 0.00 0.00 0.00 179.25 180.60 1nqu h ILE 144 N 0.85 0.92 -0.39 0.00 2.04 -0.88 0.32 117.51 120.37 1nqu h ILE 144 Ca 0.16 -0.01 -0.02 0.00 1.00 0.00 0.00 64.86 65.99 1nqu h ILE 144 Cb 0.52 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 1nqu h ILE 144 CO 0.03 0.01 0.19 -0.08 0.00 0.00 0.00 178.15 178.29 1nqu h GLU 145 N 0.04 0.57 -0.59 2.37 4.81 -1.05 -1.65 114.58 119.07 1nqu h GLU 145 Ca 0.05 -0.09 -0.10 0.00 -0.13 0.00 0.00 59.36 59.10 1nqu h GLU 145 Cb 0.07 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 1nqu h GLU 145 CO -0.09 0.50 -0.00 0.52 -0.73 0.00 0.00 179.01 179.21 1nqu h MET 146 N 0.50 1.04 -0.53 1.92 2.86 -0.86 0.52 114.93 120.38 1nqu h MET 146 Ca 0.13 -0.33 -0.02 0.00 -2.06 0.00 0.00 59.70 57.42 1nqu h MET 146 Cb 0.13 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 1nqu h MET 146 CO -0.02 1.03 0.27 0.00 1.06 0.00 0.00 176.91 179.25 1nqu h ALA 147 N 0.98 0.69 -0.54 6.32 0.00 -0.72 0.44 119.26 126.42 1nqu h ALA 147 Ca 0.17 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1nqu h ALA 147 Cb 0.56 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1nqu h ALA 147 CO 0.03 0.24 0.22 -0.91 0.00 0.00 0.00 179.25 178.83 1nqu h ASN 148 N 0.72 0.75 -0.53 0.00 2.35 -1.11 -2.38 115.58 115.37 1nqu h ASN 148 Ca 0.18 -0.17 0.03 0.00 -0.55 0.00 0.00 56.30 55.80 1nqu h ASN 148 Cb 0.10 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.24 1nqu h ASN 148 CO -0.03 0.71 0.31 0.25 -1.65 0.00 0.00 177.43 177.02 1nqu h LEU 149 N 0.74 0.48 -1.72 1.61 5.85 -0.59 -2.48 115.31 119.21 1nqu h LEU 149 Ca 0.18 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 1nqu h LEU 149 Cb 0.20 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 1nqu h LEU 149 CO -0.02 0.34 -0.13 -0.26 -0.34 0.00 0.00 178.44 178.03 1nqu h PHE 150 N 0.60 0.00 -0.24 1.25 -1.00 -0.64 -0.97 116.94 115.94 1nqu h PHE 150 Ca 0.22 0.00 0.07 0.00 2.81 0.00 0.00 57.97 61.07 1nqu h PHE 150 Cb 0.06 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.61 1nqu h PHE 150 CO -0.07 0.13 0.18 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 -0.94 -1.65 116.57 117.06 1nqu h LYS 151 Ca -0.00 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.52 1nqu h LYS 151 Cb 0.45 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.71 1nqu h LYS 151 CO 0.02 0.00 -2.01 -1.13 -0.57 0.00 0.00 179.45 175.75 1nqu n SER 152 N -4.37 1.27 0.09 0.86 3.41 -0.76 -4.72 113.62 109.40 1nqu n SER 152 Ca 0.03 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.46 1nqu n SER 152 Cb 0.33 0.94 -0.14 0.00 -0.26 0.00 0.00 64.21 65.08 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 0.48 0.00 1.04 5.85 -1.05 -3.53 115.31 118.10 1nqu h LEU 153 Ca -0.38 -0.57 0.00 0.00 0.84 0.00 0.00 57.88 57.77 1nqu h LEU 153 Cb 1.84 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.72 1nqu h LEU 153 CO 0.02 1.46 0.00 -1.14 -0.34 0.00 0.00 178.44 178.44