#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 -0.11 2.12 -0.21 -1.26 -5.03 119.66 119.66 1nqu s GLN 2 Ca 0.00 1.50 0.02 0.00 0.02 0.00 0.00 55.36 56.90 1nqu s GLN 2 Cb 0.00 -3.47 0.01 0.00 1.00 0.00 0.00 33.01 30.56 1nqu s GLN 2 CO 0.00 -0.18 -0.16 0.42 -2.12 0.00 0.00 175.29 173.25 1nqu s ILE 3 N 1.35 1.54 -0.11 1.08 1.01 -1.26 -5.12 121.20 119.69 1nqu s ILE 3 Ca 0.53 -0.67 0.01 0.00 0.00 0.00 0.00 60.65 60.52 1nqu s ILE 3 Cb -0.22 -1.40 -0.02 0.00 0.01 0.00 0.00 42.46 40.83 1nqu s ILE 3 CO 0.25 0.45 -0.14 -0.31 0.00 0.00 0.00 174.94 175.19 1nqu s TYR 4 N 0.93 2.77 0.18 3.97 1.51 -1.26 -5.12 117.35 120.33 1nqu s TYR 4 Ca -0.08 -0.55 -0.15 0.00 -1.01 0.00 0.00 57.07 55.28 1nqu s TYR 4 Cb -0.15 -1.78 0.02 0.00 -0.11 0.00 0.00 41.96 39.93 1nqu s TYR 4 CO -0.01 -0.13 0.44 -1.83 -1.11 0.00 0.00 175.55 172.91 1nqu s GLU 5 N 0.10 1.29 -0.14 -0.62 -1.05 -1.26 -5.11 118.70 111.90 1nqu s GLU 5 Ca -0.06 -0.96 -0.04 0.00 -0.15 0.00 0.00 54.97 53.76 1nqu s GLU 5 Cb -0.15 0.47 -0.03 0.00 -0.44 0.00 0.00 34.13 33.98 1nqu s GLU 5 CO 0.05 -0.52 -0.01 0.20 0.95 0.00 0.00 175.26 175.92 1nqu s GLY 6 N -2.90 1.78 1.05 -3.83 0.00 -1.26 -4.43 107.32 97.72 1nqu s GLY 6 Ca 0.11 -0.81 -0.17 0.00 0.00 0.00 0.00 44.72 43.86 1nqu s GLY 6 CO -0.02 -0.17 1.21 0.54 0.00 0.00 0.00 173.10 174.66 1nqu s LYS 7 N 0.06 -0.02 -0.01 2.90 1.02 -1.26 -4.85 119.74 117.59 1nqu s LYS 7 Ca 0.01 -0.18 0.10 0.00 0.02 0.00 0.00 55.97 55.93 1nqu s LYS 7 Cb -0.13 -1.75 0.29 0.00 -0.52 0.00 0.00 37.83 35.73 1nqu s LYS 7 CO 0.02 -2.89 1.24 1.28 -0.92 0.00 0.00 175.35 174.09 1nqu n LEU 8 N -4.16 2.90 -4.76 3.17 4.77 -1.26 -4.09 117.00 113.58 1nqu n LEU 8 Ca 0.13 -2.04 -0.39 0.00 -0.03 0.00 0.00 56.01 53.68 1nqu n LEU 8 Cb 0.59 -0.23 -0.05 0.00 -2.33 0.00 0.00 43.42 41.40 1nqu n LEU 8 CO 0.47 0.71 0.37 0.42 -1.33 0.00 0.00 177.39 178.03 1nqu s THR 9 N -1.07 4.79 -0.63 -5.08 -4.23 -1.26 -4.86 115.64 103.30 1nqu s THR 9 Ca 0.22 1.42 0.13 0.00 -1.18 0.00 0.00 61.69 62.29 1nqu s THR 9 Cb 0.12 -4.01 0.41 0.00 1.34 0.00 0.00 72.50 70.36 1nqu s THR 9 CO 0.14 0.41 1.34 0.00 -0.54 0.00 0.00 174.62 175.98 1nqu n ALA 10 N 2.61 2.55 -1.66 3.99 0.00 0.64 -4.98 120.51 123.66 1nqu n ALA 10 Ca -0.05 -1.63 -0.47 0.00 0.00 0.00 0.00 53.44 51.28 1nqu n ALA 10 Cb 0.51 -0.57 -0.05 0.00 0.00 0.00 0.00 19.45 19.34 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 0.12 1.96 -0.29 0.00 2.13 -1.24 -1.44 120.64 121.89 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 0.63 -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 3.30 2.37 3.83 8.31 0.00 -1.26 -4.99 105.19 116.74 1nqu n GLY 12 Ca 0.17 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 4.03 -0.10 0.99 1.43 -0.52 -5.06 118.68 119.44 1nqu s LEU 13 Ca 0.00 1.51 0.02 0.00 -1.03 0.00 0.00 54.13 54.63 1nqu s LEU 13 Cb 0.00 -4.28 0.01 0.00 0.03 0.00 0.00 46.19 41.95 1nqu s LEU 13 CO 0.00 -0.27 -0.17 -0.13 0.23 0.00 0.00 176.35 176.02 1nqu s ARG 14 N -3.00 2.33 0.04 1.70 0.52 -1.26 -4.60 118.95 114.68 1nqu s ARG 14 Ca 0.57 -0.61 0.08 0.00 -0.52 0.00 0.00 55.73 55.26 1nqu s ARG 14 Cb -0.10 -1.92 -0.03 0.00 0.52 0.00 0.00 34.95 33.42 1nqu s ARG 14 CO 0.16 -0.01 -0.24 -0.06 0.02 0.00 0.00 175.30 175.17 1nqu s PHE 15 N 0.83 2.09 -0.13 -0.53 0.40 -0.73 -0.59 117.98 119.32 1nqu s PHE 15 Ca -0.10 -0.39 -0.04 0.00 -0.60 0.00 0.00 56.93 55.80 1nqu s PHE 15 Cb -0.16 -1.26 -0.03 0.00 0.51 0.00 0.00 43.02 42.08 1nqu s PHE 15 CO 0.01 0.10 0.02 0.20 0.70 0.00 0.00 175.22 176.25 1nqu s GLY 16 N -1.16 1.87 -0.11 4.36 0.00 -0.52 -0.62 107.32 111.12 1nqu s GLY 16 Ca 0.10 -0.78 0.03 0.00 0.00 0.00 0.00 44.72 44.07 1nqu s GLY 16 CO 0.02 -0.28 -0.21 -0.42 0.00 0.00 0.00 173.10 172.21 1nqu s ILE 17 N -0.29 1.93 -0.21 0.90 1.01 0.72 -0.21 121.20 125.05 1nqu s ILE 17 Ca 0.07 -0.92 -0.03 0.00 0.00 0.00 0.00 60.65 59.77 1nqu s ILE 17 Cb -0.12 -1.69 -0.01 0.00 0.01 0.00 0.00 42.46 40.65 1nqu s ILE 17 CO 0.02 0.53 -0.06 -0.69 0.00 0.00 0.00 174.94 174.74 1nqu s VAL 18 N 0.63 3.31 -0.08 2.92 1.01 -0.57 -0.55 120.40 127.07 1nqu s VAL 18 Ca -0.12 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.35 1nqu s VAL 18 Cb -0.16 -2.49 0.02 0.00 0.00 0.00 0.00 36.38 33.74 1nqu s VAL 18 CO 0.03 0.44 -0.11 0.00 0.00 0.00 0.00 175.10 175.46 1nqu s ALA 19 N 1.34 1.26 0.54 5.51 0.00 -0.18 -0.64 121.76 129.58 1nqu s ALA 19 Ca 0.04 -0.44 -0.10 0.00 0.00 0.00 0.00 51.96 51.46 1nqu s ALA 19 Cb -0.14 -0.66 -0.05 0.00 0.00 0.00 0.00 23.12 22.27 1nqu s ALA 19 CO -0.03 -0.05 0.92 -1.54 0.00 0.00 0.00 175.76 175.06 1nqu s SER 20 N 0.98 6.34 0.03 0.00 1.04 -0.90 -1.92 113.70 119.27 1nqu s SER 20 Ca -0.09 1.26 0.20 0.00 0.48 0.00 0.00 55.95 57.81 1nqu s SER 20 Cb -0.15 -2.39 -0.19 0.00 0.10 0.00 0.00 66.02 63.39 1nqu s SER 20 CO -0.00 -0.68 0.65 0.54 0.98 0.00 0.00 173.24 174.73 1nqu n ARG 21 N -2.24 0.64 -1.74 4.02 1.74 0.13 -4.76 116.66 114.45 1nqu n ARG 21 Ca 0.04 0.01 -0.42 0.00 -0.77 0.00 0.00 57.85 56.72 1nqu n ARG 21 Cb 0.54 -1.67 -0.01 0.00 -1.02 0.00 0.00 32.46 30.30 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 -2.59 2.78 -3.19 -1.55 7.35 -0.31 -1.35 117.46 118.60 1nqu n PHE 22 Ca -0.09 0.34 -0.23 0.00 -0.76 0.00 0.00 57.45 56.72 1nqu n PHE 22 Cb 0.72 -2.55 0.05 0.00 0.35 0.00 0.00 39.48 38.04 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 1.60 -6.24 0.18 -2.13 3.02 -1.26 -4.53 115.26 105.90 1nqu n ASN 23 Ca 0.07 -0.36 0.12 0.00 -0.03 0.00 0.00 54.58 54.38 1nqu n ASN 23 Cb 0.37 -4.99 0.67 0.00 -0.61 0.00 0.00 39.78 35.21 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 -1.80 0.00 0.00 3.10 2.07 -1.51 -0.19 115.15 116.82 1nqu h HIS 24 Ca -0.54 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 56.96 1nqu h HIS 24 Cb 1.37 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.35 1nqu h HIS 24 CO 0.52 0.00 -0.06 0.00 -3.07 0.00 0.00 177.93 175.32 1nqu h ALA 25 N 1.91 1.43 0.03 6.11 0.00 -1.90 0.23 119.26 127.07 1nqu h ALA 25 Ca 0.08 -0.05 -0.36 0.00 0.00 0.00 0.00 54.91 54.58 1nqu h ALA 25 Cb 0.34 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1nqu h ALA 25 CO -0.00 0.07 -2.02 1.28 0.00 0.00 0.00 179.25 178.58 1nqu n LEU 26 N -3.78 2.31 -0.35 0.00 4.77 -0.23 -4.28 117.00 115.45 1nqu n LEU 26 Ca -0.02 0.23 0.07 0.00 -0.03 0.00 0.00 56.01 56.26 1nqu n LEU 26 Cb 0.15 -0.96 0.24 0.00 -2.33 0.00 0.00 43.42 40.52 1nqu n LEU 26 CO 0.29 0.64 1.21 0.58 -1.33 0.00 0.00 177.39 178.78 1nqu h VAL 27 N -0.52 0.89 0.00 4.08 2.07 -0.90 -1.39 116.25 120.48 1nqu h VAL 27 Ca -0.51 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 1nqu h VAL 27 Cb 1.69 -0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1nqu h VAL 27 CO -0.16 0.17 -0.09 0.44 0.02 0.00 0.00 177.57 177.94 1nqu h ASP 28 N 0.94 0.00 -0.34 0.57 3.32 -0.75 -0.18 116.42 119.98 1nqu h ASP 28 Ca 0.49 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.39 1nqu h ASP 28 Cb 0.52 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.07 1nqu h ASP 28 CO -0.28 0.09 -0.40 0.03 -1.72 0.00 0.00 179.24 176.97 1nqu h ARG 29 N 0.00 0.87 -0.80 3.56 2.47 -1.44 -2.03 114.38 117.01 1nqu h ARG 29 Ca -0.00 -0.48 -0.00 0.00 -1.26 0.00 0.00 59.98 58.24 1nqu h ARG 29 Cb 0.16 0.03 -0.04 0.00 -1.65 0.00 0.00 29.97 28.47 1nqu h ARG 29 CO 0.01 1.12 0.49 -0.07 0.56 0.00 0.00 179.97 182.09 1nqu h LEU 30 N 0.66 0.95 -0.42 3.04 3.38 -0.83 -1.33 115.31 120.77 1nqu h LEU 30 Ca 0.05 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1nqu h LEU 30 Cb 0.99 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1nqu h LEU 30 CO 0.10 0.73 0.12 0.58 0.09 0.00 0.00 178.44 180.05 1nqu h VAL 31 N 1.10 1.22 -0.69 1.22 2.07 -1.06 -0.43 116.25 119.68 1nqu h VAL 31 Ca 0.29 -0.75 0.08 0.00 0.82 0.00 0.00 66.70 67.14 1nqu h VAL 31 Cb -0.06 0.92 -0.07 0.00 -1.52 0.00 0.00 31.29 30.57 1nqu h VAL 31 CO -0.06 0.27 0.35 -0.33 0.02 0.00 0.00 177.57 177.82 1nqu h GLU 32 N 0.53 0.60 -0.46 1.57 5.08 -1.17 -1.56 114.58 119.18 1nqu h GLU 32 Ca 0.13 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 1nqu h GLU 32 Cb 0.28 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1nqu h GLU 32 CO -0.00 0.40 0.10 0.78 -1.00 0.00 0.00 179.01 179.29 1nqu h GLY 33 N 0.62 0.79 0.96 -3.84 0.00 -0.77 -1.56 103.07 99.27 1nqu h GLY 33 Ca 0.33 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 1nqu h GLY 33 CO -0.24 0.47 0.18 0.00 0.00 0.00 0.00 176.54 176.96 1nqu h ALA 34 N 0.97 0.44 -0.33 3.60 0.00 -0.73 -0.60 119.26 122.60 1nqu h ALA 34 Ca 0.14 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1nqu h ALA 34 Cb 0.34 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1nqu h ALA 34 CO 0.00 -0.03 0.09 0.82 0.00 0.00 0.00 179.25 180.13 1nqu h ILE 35 N 0.42 1.21 -0.55 0.00 2.04 -1.23 -1.84 117.51 117.56 1nqu h ILE 35 Ca 0.12 -0.70 0.01 0.00 1.00 0.00 0.00 64.86 65.28 1nqu h ILE 35 Cb 0.07 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 1nqu h ILE 35 CO -0.02 0.24 0.37 -0.78 0.00 0.00 0.00 178.15 177.96 1nqu h ASP 36 N 0.38 0.64 -0.41 1.72 3.58 -1.16 -0.28 116.42 120.89 1nqu h ASP 36 Ca 0.11 -0.02 0.03 0.00 0.42 0.00 0.00 57.03 57.56 1nqu h ASP 36 Cb 0.27 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 41.13 1nqu h ASP 36 CO -0.00 0.46 0.22 0.00 -2.88 0.00 0.00 179.24 177.04 1nqu h ILE 38 N 0.45 0.84 -0.51 0.00 2.04 -0.81 -2.20 117.51 117.32 1nqu h ILE 38 Ca 0.17 -0.16 -0.05 0.00 1.00 0.00 0.00 64.86 65.83 1nqu h ILE 38 Cb 0.05 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 1nqu h ILE 38 CO -0.10 0.04 0.14 0.58 0.00 0.00 0.00 178.15 178.81 1nqu h VAL 39 N -0.34 1.24 0.00 1.67 2.07 -0.88 -0.36 116.25 119.64 1nqu h VAL 39 Ca -0.03 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.67 1nqu h VAL 39 Cb 0.27 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1nqu h VAL 39 CO 0.05 0.30 0.00 0.54 0.02 0.00 0.00 177.57 178.48 1nqu n ARG 40 N -4.46 0.07 -0.09 1.57 1.74 -0.24 -1.44 116.66 113.80 1nqu n ARG 40 Ca 0.02 0.07 0.10 0.00 -0.77 0.00 0.00 57.85 57.27 1nqu n ARG 40 Cb 0.21 -1.58 0.35 0.00 -1.02 0.00 0.00 32.46 30.43 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 -1.70 0.24 0.00 -1.55 8.25 -0.83 -4.93 115.22 114.70 1nqu n HIS 41 Ca 0.06 -0.12 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 1nqu n HIS 41 Cb 0.35 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.46 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 1.14 0.61 3.79 -1.41 0.00 -0.52 -0.26 105.19 108.54 1nqu n GLY 42 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.92 2.67 0.09 -0.02 0.00 -0.18 -3.61 107.32 105.35 1nqu s GLY 43 Ca 0.00 0.63 -0.23 0.00 0.00 0.00 0.00 44.72 45.11 1nqu s GLY 43 CO 0.00 1.02 0.70 0.50 0.00 0.00 0.00 173.10 175.33 1nqu s ARG 44 N -2.62 4.44 0.47 2.90 0.52 -1.26 -4.09 118.95 119.30 1nqu s ARG 44 Ca 0.59 0.99 0.12 0.00 -0.52 0.00 0.00 55.73 56.91 1nqu s ARG 44 Cb -0.19 -3.29 1.10 0.00 0.52 0.00 0.00 34.95 33.08 1nqu s ARG 44 CO 0.24 0.49 2.11 1.05 0.02 0.00 0.00 175.30 179.21 1nqu h GLU 45 N 4.86 0.21 0.00 3.54 -0.00 -1.95 -0.51 114.58 120.73 1nqu h GLU 45 Ca -0.47 -0.01 0.00 0.00 -0.00 0.00 0.00 59.36 58.88 1nqu h GLU 45 Cb 1.21 -0.05 0.00 0.00 -0.00 0.00 0.00 28.75 29.91 1nqu h GLU 45 CO 0.67 0.15 0.00 0.93 -0.00 0.00 0.00 179.01 180.76 1nqu h GLU 46 N 0.22 0.00 -0.60 1.06 3.07 -2.00 -2.00 114.58 114.33 1nqu h GLU 46 Ca 0.06 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.92 1nqu h GLU 46 Cb -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.90 1nqu h GLU 46 CO -0.01 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.35 1nqu n ASP 47 N -2.80 3.31 -4.79 1.42 8.00 -0.20 -4.85 116.55 116.64 1nqu n ASP 47 Ca -0.01 -2.08 -0.36 0.00 0.71 0.00 0.00 54.79 53.05 1nqu n ASP 47 Cb 0.16 -0.42 -0.07 0.00 -0.02 0.00 0.00 41.12 40.77 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 -1.35 5.34 -0.18 0.53 1.01 -0.75 -1.77 121.20 124.03 1nqu s ILE 48 Ca 0.40 0.15 -0.01 0.00 0.00 0.00 0.00 60.65 61.19 1nqu s ILE 48 Cb 0.22 -3.37 0.00 0.00 0.01 0.00 0.00 42.46 39.32 1nqu s ILE 48 CO 0.25 0.54 -0.13 -0.89 0.00 0.00 0.00 174.94 174.71 1nqu s THR 49 N -0.42 2.74 -0.17 2.92 2.01 0.21 -4.98 115.64 117.95 1nqu s THR 49 Ca 0.11 -0.73 -0.03 0.00 0.31 0.00 0.00 61.69 61.35 1nqu s THR 49 Cb -0.12 -2.19 -0.02 0.00 0.01 0.00 0.00 72.50 70.18 1nqu s THR 49 CO 0.01 0.50 -0.04 -0.22 -0.69 0.00 0.00 174.62 174.18 1nqu s LEU 50 N 1.09 3.13 -0.13 4.42 2.96 -1.26 -0.20 118.68 128.68 1nqu s LEU 50 Ca 0.00 -0.21 0.03 0.00 -0.22 0.00 0.00 54.13 53.73 1nqu s LEU 50 Cb -0.14 -1.76 0.01 0.00 0.50 0.00 0.00 46.19 44.79 1nqu s LEU 50 CO -0.04 0.12 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.20 1nqu s VAL 51 N 0.66 2.09 -0.13 1.68 1.01 0.28 -4.97 120.40 121.03 1nqu s VAL 51 Ca -0.03 -0.98 -0.07 0.00 0.00 0.00 0.00 61.98 60.91 1nqu s VAL 51 Cb -0.15 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 1nqu s VAL 51 CO 0.02 0.55 0.12 -0.13 0.00 0.00 0.00 175.10 175.66 1nqu s ARG 52 N 0.68 3.49 0.11 2.72 0.52 -1.26 -1.01 118.95 124.20 1nqu s ARG 52 Ca -0.10 -0.18 0.02 0.00 -0.52 0.00 0.00 55.73 54.95 1nqu s ARG 52 Cb -0.16 -3.17 -0.04 0.00 0.52 0.00 0.00 34.95 32.10 1nqu s ARG 52 CO 0.01 0.70 -0.06 0.14 0.02 0.00 0.00 175.30 176.11 1nqu s VAL 53 N -0.81 0.74 0.09 3.52 -7.23 -0.81 -4.95 120.40 110.96 1nqu s VAL 53 Ca 0.14 -1.96 -0.29 0.00 -1.81 0.00 0.00 61.98 58.06 1nqu s VAL 53 Cb -0.12 -1.76 -0.14 0.00 0.56 0.00 0.00 36.38 34.92 1nqu s VAL 53 CO 0.03 -0.80 1.64 -0.65 -0.31 0.00 0.00 175.10 175.01 1nqu h PRO 54 N 2.91 -0.58 -4.47 4.82 0.11 -1.94 0.39 132.00 133.24 1nqu h PRO 54 Ca -0.36 0.04 -0.29 0.00 0.11 0.00 0.00 66.00 65.50 1nqu h PRO 54 Cb 1.17 0.13 -0.12 0.00 0.11 0.00 0.00 31.00 32.29 1nqu h PRO 54 CO 0.64 -0.39 -0.43 0.20 -0.21 0.00 0.00 178.00 177.81 1nqu s GLY 55 N -2.24 1.60 0.41 -0.55 0.00 -1.26 -1.16 107.32 104.12 1nqu s GLY 55 Ca -0.16 -1.67 0.13 0.00 0.00 0.00 0.00 44.72 43.01 1nqu s GLY 55 CO 0.64 -1.24 1.95 1.76 0.00 0.00 0.00 173.10 176.21 1nqu h SER 56 N 2.33 0.45 -0.94 1.64 0.02 -1.91 -1.13 113.55 114.00 1nqu h SER 56 Ca -0.30 0.01 0.16 0.00 -0.84 0.00 0.00 61.79 60.83 1nqu h SER 56 Cb 1.24 -0.08 -0.08 0.00 0.14 0.00 0.00 62.40 63.62 1nqu h SER 56 CO 0.43 0.26 0.60 -0.25 -1.14 0.00 0.00 176.83 176.73 1nqu h TRP 57 N 0.49 0.88 -0.00 3.45 2.91 -1.96 -1.82 115.95 119.89 1nqu h TRP 57 Ca 0.33 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.37 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 -0.23 0.39 -1.03 0.00 0.00 178.44 177.85 1nqu n GLU 58 N -4.61 0.32 -0.06 2.65 4.71 -0.44 -4.26 120.64 118.95 1nqu n GLU 58 Ca 0.19 -0.13 -0.09 0.00 -0.01 0.00 0.00 57.16 57.12 1nqu n GLU 58 Cb 0.52 -1.50 -0.02 0.00 -1.01 0.00 0.00 31.44 29.43 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 0.32 1.03 -0.17 -3.67 2.04 -1.27 -3.17 117.51 112.62 1nqu h ILE 59 Ca 0.00 -0.10 0.03 0.00 1.00 0.00 0.00 64.86 65.79 1nqu h ILE 59 Cb 0.45 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 1nqu h ILE 59 CO 0.00 0.06 -0.02 -0.65 0.00 0.00 0.00 178.15 177.53 1nqu h PRO 60 N 0.30 0.02 -0.68 2.37 0.11 -1.77 0.71 132.00 133.07 1nqu h PRO 60 Ca 0.10 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.19 1nqu h PRO 60 Cb -0.00 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.07 1nqu h PRO 60 CO -0.05 0.01 0.37 -0.24 -0.21 0.00 0.00 178.00 177.89 1nqu h VAL 61 N 0.02 1.21 -0.37 3.15 3.04 -1.84 0.95 116.25 122.40 1nqu h VAL 61 Ca 0.08 -0.51 -0.13 0.00 -1.01 0.00 0.00 66.70 65.12 1nqu h VAL 61 Cb 0.11 0.28 -0.01 0.00 -2.01 0.00 0.00 31.29 29.67 1nqu h VAL 61 CO -0.15 0.23 -0.29 0.00 -1.01 0.00 0.00 177.57 176.34 1nqu h ALA 62 N 1.46 0.54 -0.46 3.17 0.00 -1.46 -2.94 119.26 119.57 1nqu h ALA 62 Ca 0.24 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1nqu h ALA 62 Cb 0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1nqu h ALA 62 CO -0.04 0.57 0.19 0.00 0.00 0.00 0.00 179.25 179.96 1nqu h ALA 63 N 0.77 1.47 -0.85 0.00 0.00 -0.15 -1.81 119.26 118.69 1nqu h ALA 63 Ca 0.07 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1nqu h ALA 63 Cb 0.87 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 1nqu h ALA 63 CO 0.08 0.41 0.52 0.78 0.00 0.00 0.00 179.25 181.04 1nqu h GLY 64 N 0.80 1.23 1.03 0.00 0.00 -0.72 0.13 103.07 105.54 1nqu h GLY 64 Ca 0.16 -0.50 -0.13 0.00 0.00 0.00 0.00 47.33 46.86 1nqu h GLY 64 CO -0.02 0.49 -0.32 0.83 0.00 0.00 0.00 176.54 177.52 1nqu h GLU 65 N 1.17 0.79 -0.38 4.80 4.39 -1.19 -2.74 114.58 121.43 1nqu h GLU 65 Ca 0.31 -0.42 -0.12 0.00 0.34 0.00 0.00 59.36 59.48 1nqu h GLU 65 Cb -0.07 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1nqu h GLU 65 CO -0.06 1.05 -0.21 -0.07 -1.16 0.00 0.00 179.01 178.55 1nqu h LEU 66 N 0.56 0.85 -1.92 1.33 3.38 -1.05 -3.01 115.31 115.45 1nqu h LEU 66 Ca 0.05 -0.42 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 1nqu h LEU 66 Cb 0.90 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 1nqu h LEU 66 CO 0.08 1.08 -0.09 0.00 0.09 0.00 0.00 178.44 179.59 1nqu h ALA 67 N 0.80 1.18 0.00 1.53 0.00 -0.77 -1.57 119.26 120.43 1nqu h ALA 67 Ca 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1nqu h ALA 67 Cb 0.77 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1nqu h ALA 67 CO 0.06 0.12 0.00 0.54 0.00 0.00 0.00 179.25 179.97 1nqu n ARG 68 N -3.46 0.19 -2.36 0.00 1.74 -1.03 -4.79 116.66 106.94 1nqu n ARG 68 Ca -0.01 0.24 -0.42 0.00 -0.77 0.00 0.00 57.85 56.89 1nqu n ARG 68 Cb 0.24 -1.76 -0.03 0.00 -1.02 0.00 0.00 32.46 29.89 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 -3.14 4.42 0.49 5.56 1.02 -0.59 -4.91 119.74 122.59 1nqu s LYS 69 Ca 0.09 1.85 0.27 0.00 0.02 0.00 0.00 55.97 58.20 1nqu s LYS 69 Cb 0.12 -3.31 1.24 0.00 -0.52 0.00 0.00 37.83 35.36 1nqu s LYS 69 CO 0.51 -0.27 1.96 1.49 -0.92 0.00 0.00 175.35 178.13 1nqu h GLU 70 N 6.55 0.00 -0.63 1.68 4.22 -1.88 -2.56 114.58 121.95 1nqu h GLU 70 Ca -0.42 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.02 1nqu h GLU 70 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1nqu h GLU 70 CO 0.81 0.15 0.00 -0.40 -2.18 0.00 0.00 179.01 177.40 1nqu n ASP 71 N -3.45 3.91 -4.29 1.04 5.75 -1.26 -4.78 116.55 113.47 1nqu n ASP 71 Ca -0.01 -2.41 -0.35 0.00 -0.01 0.00 0.00 54.79 52.01 1nqu n ASP 71 Cb 0.33 -0.53 -0.14 0.00 -1.03 0.00 0.00 41.12 39.74 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 -1.89 3.16 -0.08 2.12 -1.09 -0.97 -4.77 121.20 117.69 1nqu s ILE 72 Ca 0.39 -0.57 0.14 0.00 -2.23 0.00 0.00 60.65 58.39 1nqu s ILE 72 Cb 0.26 -2.42 -0.10 0.00 -1.58 0.00 0.00 42.46 38.62 1nqu s ILE 72 CO 0.17 0.45 1.08 0.44 -1.23 0.00 0.00 174.94 175.85 1nqu h ASP 73 N 8.01 0.00 -4.88 3.58 3.32 -1.15 -3.47 116.42 121.82 1nqu h ASP 73 Ca -0.41 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.62 1nqu h ASP 73 Cb 1.16 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.54 1nqu h ASP 73 CO 0.61 0.68 0.26 0.00 -1.72 0.00 0.00 179.24 179.07 1nqu s ALA 74 N -2.86 -1.73 -0.04 3.45 0.00 -1.23 -4.48 121.76 114.88 1nqu s ALA 74 Ca -0.00 1.02 0.07 0.00 0.00 0.00 0.00 51.96 53.04 1nqu s ALA 74 Cb 0.08 0.29 -0.02 0.00 0.00 0.00 0.00 23.12 23.48 1nqu s ALA 74 CO 0.79 -0.54 -0.24 0.08 0.00 0.00 0.00 175.76 175.86 1nqu s VAL 75 N -2.27 2.24 -0.19 0.00 1.01 -0.67 -1.44 120.40 119.07 1nqu s VAL 75 Ca -0.04 -1.03 -0.02 0.00 0.00 0.00 0.00 61.98 60.89 1nqu s VAL 75 Cb -0.00 -1.80 -0.00 0.00 0.00 0.00 0.00 36.38 34.57 1nqu s VAL 75 CO -0.01 0.58 -0.10 -0.63 0.00 0.00 0.00 175.10 174.94 1nqu s ILE 76 N -0.48 2.98 -0.22 2.22 1.01 0.71 -0.31 121.20 127.12 1nqu s ILE 76 Ca 0.06 -0.64 -0.12 0.00 0.00 0.00 0.00 60.65 59.95 1nqu s ILE 76 Cb -0.11 -2.32 -0.05 0.00 0.01 0.00 0.00 42.46 39.99 1nqu s ILE 76 CO 0.01 0.47 0.22 0.00 0.00 0.00 0.00 174.94 175.64 1nqu s ALA 77 N 1.22 3.61 -0.09 9.38 0.00 -0.64 -1.51 121.76 133.72 1nqu s ALA 77 Ca 0.02 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.26 1nqu s ALA 77 Cb -0.14 -2.38 0.02 0.00 0.00 0.00 0.00 23.12 20.62 1nqu s ALA 77 CO -0.04 -0.13 -0.08 0.42 0.00 0.00 0.00 175.76 175.93 1nqu s ILE 78 N 0.93 0.98 0.20 0.00 1.01 0.18 0.06 121.20 124.57 1nqu s ILE 78 Ca 0.11 -0.30 -0.23 0.00 0.00 0.00 0.00 60.65 60.23 1nqu s ILE 78 Cb -0.13 -0.98 0.05 0.00 0.01 0.00 0.00 42.46 41.41 1nqu s ILE 78 CO 0.04 0.35 0.89 -0.83 0.00 0.00 0.00 174.94 175.39 1nqu s GLY 79 N 1.41 -0.15 -0.15 6.18 0.00 -1.17 -2.12 107.32 111.33 1nqu s GLY 79 Ca -0.01 -0.06 -0.02 0.00 0.00 0.00 0.00 44.72 44.62 1nqu s GLY 79 CO -0.05 0.09 0.03 0.14 0.00 0.00 0.00 173.10 173.31 1nqu s VAL 80 N -3.36 0.43 -0.16 1.40 1.01 -1.26 -1.20 120.40 117.25 1nqu s VAL 80 Ca 0.13 -0.29 -0.05 0.00 0.00 0.00 0.00 61.98 61.77 1nqu s VAL 80 Cb -0.03 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.49 1nqu s VAL 80 CO 0.04 -0.04 0.01 -0.76 0.00 0.00 0.00 175.10 174.35 1nqu s LEU 81 N 1.92 3.50 -0.06 3.92 1.43 0.00 -4.72 118.68 124.67 1nqu s LEU 81 Ca 0.01 -0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.11 1nqu s LEU 81 Cb -0.15 -1.86 0.01 0.00 0.03 0.00 0.00 46.19 44.22 1nqu s LEU 81 CO -0.07 0.18 -0.12 -0.63 0.23 0.00 0.00 176.35 175.95 1nqu s ILE 82 N 0.29 1.08 0.24 -0.59 1.01 -1.26 -0.58 121.20 121.39 1nqu s ILE 82 Ca -0.00 -0.45 -0.30 0.00 0.00 0.00 0.00 60.65 59.89 1nqu s ILE 82 Cb -0.13 -0.99 -0.10 0.00 0.01 0.00 0.00 42.46 41.24 1nqu s ILE 82 CO 0.02 0.34 1.52 -0.60 0.00 0.00 0.00 174.94 176.22 1nqu s ARG 83 N 0.64 4.22 0.00 2.79 3.52 -0.28 -4.90 118.95 124.94 1nqu s ARG 83 Ca -0.14 2.39 0.00 0.00 -0.13 0.00 0.00 55.73 57.85 1nqu s ARG 83 Cb -0.15 -3.10 0.00 0.00 -1.56 0.00 0.00 34.95 30.14 1nqu s ARG 83 CO 0.03 -0.53 0.00 0.41 -0.81 0.00 0.00 175.30 174.41 1nqu n GLY 84 N 2.66 2.45 0.16 8.12 0.00 -1.26 -4.82 105.19 112.49 1nqu n GLY 84 Ca 0.09 -2.03 0.03 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.81 0.84 -1.35 4.61 0.00 -2.01 -3.46 119.26 117.08 1nqu h ALA 85 Ca 0.00 -0.46 -0.50 0.00 0.00 0.00 0.00 54.91 53.95 1nqu h ALA 85 Cb 0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1nqu h ALA 85 CO 0.00 0.63 -0.34 0.95 0.00 0.00 0.00 179.25 180.49 1nqu s THR 86 N -3.35 2.53 -2.00 0.00 -4.23 -1.26 -5.00 115.64 102.32 1nqu s THR 86 Ca 0.01 -1.32 0.02 0.00 -1.18 0.00 0.00 61.69 59.22 1nqu s THR 86 Cb 0.10 -2.85 0.06 0.00 1.34 0.00 0.00 72.50 71.16 1nqu s THR 86 CO 0.72 0.00 0.79 -0.81 -0.54 0.00 0.00 174.62 174.79 1nqu n PRO 87 N -1.63 0.70 -0.23 3.99 -0.04 -1.26 -4.11 135.00 132.41 1nqu n PRO 87 Ca 0.04 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.54 1nqu n PRO 87 Cb 0.62 -1.05 0.15 0.00 -0.04 0.00 0.00 33.50 33.18 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 0.18 -0.78 0.54 2.76 -1.94 -0.70 115.15 115.22 1nqu h HIS 88 Ca 0.00 0.04 0.16 0.00 -2.20 0.00 0.00 60.37 58.38 1nqu h HIS 88 Cb 0.00 0.03 -0.11 0.00 1.55 0.00 0.00 27.41 28.88 1nqu h HIS 88 CO 0.00 -0.10 0.27 0.35 -1.30 0.00 0.00 177.93 177.15 1nqu h PHE 89 N 0.23 0.44 -0.42 5.26 3.57 -1.91 -1.90 116.94 122.22 1nqu h PHE 89 Ca 0.38 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.91 1nqu h PHE 89 Cb 0.63 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 1nqu h PHE 89 CO -0.29 -0.02 0.23 -0.44 -2.23 0.00 0.00 178.31 175.57 1nqu h ASP 90 N 0.37 0.52 -0.21 0.41 3.45 -1.43 0.60 116.42 120.12 1nqu h ASP 90 Ca 0.44 -0.08 -0.16 0.00 0.43 0.00 0.00 57.03 57.66 1nqu h ASP 90 Cb 0.74 -0.13 -0.00 0.00 -0.56 0.00 0.00 39.33 39.37 1nqu h ASP 90 CO -0.47 0.45 -0.47 1.88 -1.57 0.00 0.00 179.24 179.06 1nqu h TYR 91 N 0.55 0.95 -0.12 4.55 0.05 -1.28 -0.40 116.97 121.27 1nqu h TYR 91 Ca 0.15 -0.31 -0.03 0.00 0.05 0.00 0.00 58.73 58.59 1nqu h TYR 91 Cb 0.04 -0.19 -0.00 0.00 1.01 0.00 0.00 36.73 37.59 1nqu h TYR 91 CO -0.03 1.10 -0.05 0.82 -1.05 0.00 0.00 178.16 178.95 1nqu h ILE 92 N 0.62 1.31 -0.96 -2.88 2.04 -1.23 -2.24 117.51 114.17 1nqu h ILE 92 Ca 0.03 -1.06 -0.00 0.00 1.00 0.00 0.00 64.86 64.83 1nqu h ILE 92 Cb 1.04 1.76 -0.05 0.00 -0.74 0.00 0.00 36.82 38.83 1nqu h ILE 92 CO 0.10 0.31 0.59 0.00 0.00 0.00 0.00 178.15 179.15 1nqu h ALA 93 N 0.66 1.22 -0.25 1.87 0.00 -0.82 0.12 119.26 122.06 1nqu h ALA 93 Ca 0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1nqu h ALA 93 Cb 0.50 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1nqu h ALA 93 CO 0.02 0.67 0.14 0.77 0.00 0.00 0.00 179.25 180.84 1nqu h SER 94 N 1.32 0.31 0.64 0.00 0.02 -1.03 -2.06 113.55 112.76 1nqu h SER 94 Ca 0.35 -0.09 -0.17 0.00 -0.84 0.00 0.00 61.79 61.04 1nqu h SER 94 Cb -0.07 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 1nqu h SER 94 CO -0.07 0.31 -0.77 -0.33 -1.14 0.00 0.00 176.83 174.84 1nqu h GLU 95 N 0.29 0.09 -0.27 3.45 4.39 -1.00 -0.87 114.58 120.66 1nqu h GLU 95 Ca 0.09 -0.09 -0.09 0.00 0.34 0.00 0.00 59.36 59.61 1nqu h GLU 95 Cb 0.07 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 1nqu h GLU 95 CO -0.01 0.81 -0.17 0.28 -1.16 0.00 0.00 179.01 178.76 1nqu h VAL 96 N 0.06 1.30 -0.28 3.13 2.07 -0.94 -0.23 116.25 121.36 1nqu h VAL 96 Ca -0.02 -1.28 -0.04 0.00 0.82 0.00 0.00 66.70 66.18 1nqu h VAL 96 Cb 1.35 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 32.65 1nqu h VAL 96 CO 0.11 0.40 0.02 0.77 0.02 0.00 0.00 177.57 178.89 1nqu h SER 97 N 0.33 0.47 -0.61 0.57 4.64 -1.35 -2.32 113.55 115.28 1nqu h SER 97 Ca 0.06 -0.29 -0.01 0.00 -0.47 0.00 0.00 61.79 61.08 1nqu h SER 97 Cb 0.69 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 62.63 1nqu h SER 97 CO 0.05 0.64 0.34 0.50 -0.87 0.00 0.00 176.83 177.48 1nqu h LYS 98 N 0.28 0.84 -0.16 4.77 3.64 -1.11 -1.88 116.57 122.95 1nqu h LYS 98 Ca 0.08 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1nqu h LYS 98 Cb 0.39 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1nqu h LYS 98 CO 0.01 0.64 0.08 0.78 -2.27 0.00 0.00 179.45 178.69 1nqu h GLY 99 N 0.82 0.25 0.97 5.01 0.00 -0.94 0.16 103.07 109.33 1nqu h GLY 99 Ca 0.21 -0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.39 1nqu h GLY 99 CO -0.03 0.11 0.18 1.41 0.00 0.00 0.00 176.54 178.21 1nqu h LEU 100 N 0.15 0.68 -0.50 3.11 3.38 -1.34 -0.47 115.31 120.32 1nqu h LEU 100 Ca 0.06 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 1nqu h LEU 100 Cb 0.09 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1nqu h LEU 100 CO -0.01 0.68 0.15 0.00 0.09 0.00 0.00 178.44 179.35 1nqu h ALA 101 N 1.03 0.66 -0.53 1.53 0.00 -1.16 -1.89 119.26 118.91 1nqu h ALA 101 Ca 0.16 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1nqu h ALA 101 Cb 0.22 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1nqu h ALA 101 CO -0.01 0.33 0.19 -0.91 0.00 0.00 0.00 179.25 178.85 1nqu h ASN 102 N 0.69 0.75 -0.74 0.00 -0.26 -0.79 -2.66 115.58 112.56 1nqu h ASN 102 Ca 0.16 -0.19 -0.04 0.00 -0.56 0.00 0.00 56.30 55.67 1nqu h ASN 102 Cb 0.29 -0.20 -0.03 0.00 -1.06 0.00 0.00 38.32 37.32 1nqu h ASN 102 CO -0.00 0.74 0.30 -0.07 -1.06 0.00 0.00 177.43 177.33 1nqu h LEU 103 N 0.72 1.03 -0.56 1.61 3.38 -0.89 0.75 115.31 121.35 1nqu h LEU 103 Ca 0.17 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 58.01 1nqu h LEU 103 Cb 0.24 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1nqu h LEU 103 CO -0.01 0.92 0.35 -1.28 0.09 0.00 0.00 178.44 178.51 1nqu h SER 104 N 1.10 0.59 -0.23 -0.43 0.87 -1.16 0.50 113.55 114.78 1nqu h SER 104 Ca 0.25 -0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.72 1nqu h SER 104 Cb 0.21 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1nqu h SER 104 CO -0.02 0.42 -0.20 -0.07 -0.53 0.00 0.00 176.83 176.43 1nqu h LEU 105 N 0.71 0.58 -0.64 2.23 3.38 -1.12 0.51 115.31 120.95 1nqu h LEU 105 Ca 0.22 -0.46 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 1nqu h LEU 105 Cb -0.02 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 1nqu h LEU 105 CO -0.08 0.92 0.37 -0.08 0.09 0.00 0.00 178.44 179.65 1nqu h GLU 106 N 0.25 0.88 -0.02 1.13 4.81 -0.57 -2.93 114.58 118.12 1nqu h GLU 106 Ca 0.04 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1nqu h GLU 106 Cb 0.74 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1nqu h GLU 106 CO 0.05 0.65 -0.00 1.28 -0.73 0.00 0.00 179.01 180.26 1nqu n LEU 107 N -4.57 2.16 -3.94 1.64 4.77 0.14 -4.96 117.00 112.25 1nqu n LEU 107 Ca 0.05 -0.72 -0.29 0.00 -0.03 0.00 0.00 56.01 55.02 1nqu n LEU 107 Cb 0.07 -0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.15 1nqu n LEU 107 CO 0.37 0.36 -0.22 0.54 -1.33 0.00 0.00 177.39 177.11 1nqu n ARG 108 N 0.69 -2.43 -3.76 3.23 1.74 0.12 -4.98 116.66 111.28 1nqu n ARG 108 Ca 0.17 0.36 -0.12 0.00 -0.77 0.00 0.00 57.85 57.49 1nqu n ARG 108 Cb 0.46 -4.21 -0.12 0.00 -1.02 0.00 0.00 32.46 27.58 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 -6.57 0.29 0.21 5.56 2.20 -0.89 -5.06 119.74 115.47 1nqu s LYS 109 Ca 0.14 0.45 -0.31 0.00 -0.36 0.00 0.00 55.97 55.89 1nqu s LYS 109 Cb -0.06 0.05 -0.10 0.00 -1.51 0.00 0.00 37.83 36.21 1nqu s LYS 109 CO 0.90 -0.09 1.54 -2.14 -0.36 0.00 0.00 175.35 175.20 1nqu s PRO 110 N 0.59 4.22 -0.13 4.03 0.02 -1.26 -4.49 135.00 137.97 1nqu s PRO 110 Ca -0.04 2.38 -0.01 0.00 0.02 0.00 0.00 61.00 63.36 1nqu s PRO 110 Cb -0.05 -3.12 0.03 0.00 0.02 0.00 0.00 34.50 31.38 1nqu s PRO 110 CO -0.03 -0.56 -0.06 0.42 -0.33 0.00 0.00 177.00 176.43 1nqu s ILE 111 N 0.66 1.01 0.27 2.83 1.01 -1.26 -1.67 121.20 124.05 1nqu s ILE 111 Ca 0.66 -0.38 0.06 0.00 0.00 0.00 0.00 60.65 60.99 1nqu s ILE 111 Cb -0.44 -1.09 -0.03 0.00 0.01 0.00 0.00 42.46 40.91 1nqu s ILE 111 CO 0.37 0.28 0.33 0.42 0.00 0.00 0.00 174.94 176.34 1nqu s THR 112 N 1.70 4.74 -0.54 2.92 -4.23 0.58 -4.93 115.64 115.88 1nqu s THR 112 Ca 0.04 -1.12 -0.03 0.00 -1.18 0.00 0.00 61.69 59.40 1nqu s THR 112 Cb -0.13 -3.63 0.14 0.00 1.34 0.00 0.00 72.50 70.22 1nqu s THR 112 CO -0.08 -0.29 0.34 0.12 -0.54 0.00 0.00 174.62 174.17 1nqu s PHE 113 N -2.07 3.47 -0.46 3.99 5.36 -1.26 -1.62 117.98 125.38 1nqu s PHE 113 Ca 0.36 -2.62 0.03 0.00 -0.96 0.00 0.00 56.93 53.74 1nqu s PHE 113 Cb -0.09 -3.19 0.48 0.00 -0.34 0.00 0.00 43.02 39.88 1nqu s PHE 113 CO 0.28 -0.89 1.66 0.41 -1.46 0.00 0.00 175.22 175.23 1nqu n GLY 114 N 3.88 5.74 3.53 13.12 0.00 0.11 -4.73 105.19 126.83 1nqu n GLY 114 Ca 0.04 -2.11 -0.38 0.00 0.00 0.00 0.00 46.02 43.57 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 -4.32 5.00 0.17 1.61 1.01 -1.22 -3.02 120.40 119.63 1nqu s VAL 115 Ca 0.56 -0.06 -0.30 0.00 0.00 0.00 0.00 61.98 62.18 1nqu s VAL 115 Cb 0.46 -3.43 -0.07 0.00 0.00 0.00 0.00 36.38 33.33 1nqu s VAL 115 CO 0.02 0.19 1.05 -0.63 0.00 0.00 0.00 175.10 175.73 1nqu s ILE 116 N 1.70 4.01 -0.49 2.22 1.01 -0.34 -4.93 121.20 124.38 1nqu s ILE 116 Ca 0.06 1.76 0.03 0.00 0.00 0.00 0.00 60.65 62.50 1nqu s ILE 116 Cb -0.16 -4.12 0.15 0.00 0.01 0.00 0.00 42.46 38.33 1nqu s ILE 116 CO 0.09 0.31 0.31 0.42 0.00 0.00 0.00 174.94 176.08 1nqu s THR 117 N -0.34 1.44 0.01 2.92 -4.23 -1.25 -0.82 115.64 113.37 1nqu s THR 117 Ca 0.48 -2.91 -0.00 0.00 -1.18 0.00 0.00 61.69 58.07 1nqu s THR 117 Cb -0.28 -1.99 -0.04 0.00 1.34 0.00 0.00 72.50 71.54 1nqu s THR 117 CO 0.34 -1.00 0.11 0.00 -0.54 0.00 0.00 174.62 173.53 1nqu s ALA 118 N -0.07 3.70 0.15 3.99 0.00 0.25 -5.01 121.76 124.77 1nqu s ALA 118 Ca 0.23 -0.86 0.02 0.00 0.00 0.00 0.00 51.96 51.34 1nqu s ALA 118 Cb -0.14 -1.65 -0.06 0.00 0.00 0.00 0.00 23.12 21.27 1nqu s ALA 118 CO -0.08 0.72 1.34 -0.44 0.00 0.00 0.00 175.76 177.30 1nqu h ASP 119 N 3.84 0.24 -3.75 0.00 3.32 -1.93 -0.72 116.42 117.41 1nqu h ASP 119 Ca -0.48 -0.21 -0.37 0.00 0.02 0.00 0.00 57.03 55.98 1nqu h ASP 119 Cb 1.18 -0.08 -0.15 0.00 0.22 0.00 0.00 39.33 40.50 1nqu h ASP 119 CO 0.65 1.05 -0.73 0.42 -1.72 0.00 0.00 179.24 178.92 1nqu s THR 120 N -3.08 1.36 0.22 0.35 -4.23 -1.26 -3.97 115.64 105.02 1nqu s THR 120 Ca -0.02 -2.06 -0.09 0.00 -1.18 0.00 0.00 61.69 58.33 1nqu s THR 120 Cb 0.10 -1.86 0.17 0.00 1.34 0.00 0.00 72.50 72.25 1nqu s THR 120 CO 0.83 -0.66 1.87 0.25 -0.54 0.00 0.00 174.62 176.38 1nqu h LEU 121 N 2.81 0.94 -0.60 4.79 5.85 -1.92 -2.10 115.31 125.09 1nqu h LEU 121 Ca -0.37 -0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.35 1nqu h LEU 121 Cb 1.20 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.94 1nqu h LEU 121 CO 0.61 0.71 0.32 -0.08 -0.34 0.00 0.00 178.44 179.66 1nqu h GLU 122 N 1.09 0.58 -0.75 1.25 4.81 -1.99 -0.19 114.58 119.39 1nqu h GLU 122 Ca 0.29 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.48 1nqu h GLU 122 Cb -0.08 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.13 1nqu h GLU 122 CO -0.06 0.39 0.44 1.96 -0.73 0.00 0.00 179.01 181.01 1nqu h GLN 123 N 0.60 1.02 -0.41 1.92 4.20 -1.86 -0.56 115.11 120.02 1nqu h GLN 123 Ca 0.27 -0.09 -0.06 0.00 0.06 0.00 0.00 58.65 58.83 1nqu h GLN 123 Cb 0.17 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 1nqu h GLN 123 CO -0.17 0.72 0.04 0.00 -0.67 0.00 0.00 178.83 178.75 1nqu h ALA 124 N 1.45 0.55 -0.67 3.87 0.00 -0.59 -2.74 119.26 121.13 1nqu h ALA 124 Ca 0.27 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1nqu h ALA 124 Cb -0.03 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1nqu h ALA 124 CO -0.05 0.29 0.39 0.82 0.00 0.00 0.00 179.25 180.70 1nqu h ILE 125 N 0.55 1.20 -0.76 0.00 2.04 -0.62 -1.84 117.51 118.08 1nqu h ILE 125 Ca 0.12 -0.48 0.13 0.00 1.00 0.00 0.00 64.86 65.64 1nqu h ILE 125 Cb 0.41 0.30 -0.05 0.00 -0.74 0.00 0.00 36.82 36.74 1nqu h ILE 125 CO 0.01 0.22 0.50 -0.33 0.00 0.00 0.00 178.15 178.55 1nqu h GLU 126 N 0.92 0.49 -0.12 2.37 5.08 -0.94 -2.29 114.58 120.07 1nqu h GLU 126 Ca 0.24 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1nqu h GLU 126 Cb 0.01 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1nqu h GLU 126 CO -0.04 0.32 0.00 0.54 -1.00 0.00 0.00 179.01 178.83 1nqu n ARG 127 N -4.49 2.27 -2.27 2.33 1.74 -0.75 -0.17 116.66 115.31 1nqu n ARG 127 Ca 0.14 -1.87 -0.31 0.00 -0.77 0.00 0.00 57.85 55.04 1nqu n ARG 127 Cb 0.47 -1.47 0.01 0.00 -1.02 0.00 0.00 32.46 30.45 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 1.20 5.52 -0.29 7.54 0.00 -0.84 -1.66 120.51 131.98 1nqu n ALA 128 Ca 0.16 -4.22 0.00 0.00 0.00 0.00 0.00 53.44 49.38 1nqu n ALA 128 Cb 0.56 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 19.03 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 1.04 0.00 0.00 0.00 0.34 -4.72 105.19 101.34 1nqu n GLY 129 Ca 0.44 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.11 0.00 0.30 2.61 -2.24 -1.16 -4.92 114.28 106.76 1nqu n THR 130 Ca 0.00 0.00 0.19 0.00 -2.27 0.00 0.00 64.05 61.97 1nqu n THR 130 Cb 0.03 0.00 0.84 0.00 -2.10 0.00 0.00 70.33 69.09 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 -1.81 -1.29 116.57 114.34 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 0.00 0.07 0.72 -2.00 0.00 0.00 179.45 178.24 1nqu n HIS 132 N -3.00 1.46 -3.29 0.07 8.25 0.76 -5.04 115.22 114.42 1nqu n HIS 132 Ca -0.00 -1.44 0.00 0.00 -0.26 0.00 0.00 57.72 56.01 1nqu n HIS 132 Cb 0.22 -0.54 0.00 0.00 1.12 0.00 0.00 29.99 30.79 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 -1.09 2.67 -1.41 0.00 -0.49 -4.64 105.19 99.32 1nqu n GLY 133 Ca 0.35 -1.36 -0.26 0.00 0.00 0.00 0.00 46.02 44.75 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 2.40 0.51 1.61 3.84 -1.25 -0.50 114.94 117.55 1nqu s ASN 134 Ca 0.00 -0.60 0.28 0.00 0.21 0.00 0.00 52.86 52.75 1nqu s ASN 134 Cb 0.00 -0.37 1.38 0.00 -0.55 0.00 0.00 41.25 41.70 1nqu s ASN 134 CO 0.00 -0.32 2.02 0.50 -2.79 0.00 0.00 177.10 176.51 1nqu h LYS 135 N 8.35 0.00 -0.28 0.43 1.63 -1.63 -2.09 116.57 122.98 1nqu h LYS 135 Ca -0.15 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.57 1nqu h LYS 135 Cb 1.14 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.76 1nqu h LYS 135 CO 0.29 0.13 -0.12 0.78 -3.45 0.00 0.00 179.45 177.08 1nqu h GLY 136 N 1.23 0.62 0.84 5.01 0.00 -1.83 -1.22 103.07 107.73 1nqu h GLY 136 Ca -0.00 -0.55 0.03 0.00 0.00 0.00 0.00 47.33 46.81 1nqu h GLY 136 CO 0.02 0.50 0.22 -0.25 0.00 0.00 0.00 176.54 177.02 1nqu h TRP 137 N 0.32 0.41 -0.44 5.60 7.01 -1.55 -0.87 115.95 126.41 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 0.62 -0.12 -0.02 0.00 -2.10 0.00 0.00 29.16 27.54 1nqu h TRP 137 CO 0.06 0.22 0.21 0.93 -2.79 0.00 0.00 178.44 177.07 1nqu h GLU 138 N 0.44 0.64 -0.19 2.65 5.08 -1.34 -0.12 114.58 121.74 1nqu h GLU 138 Ca 0.17 -0.10 -0.10 0.00 -1.00 0.00 0.00 59.36 58.34 1nqu h GLU 138 Cb 0.05 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1nqu h GLU 138 CO -0.10 0.55 -0.31 0.00 -1.00 0.00 0.00 179.01 178.15 1nqu h ALA 139 N 1.06 1.13 -0.29 3.43 0.00 -1.06 -1.37 119.26 122.14 1nqu h ALA 139 Ca 0.15 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 1nqu h ALA 139 Cb 0.13 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1nqu h ALA 139 CO -0.02 0.56 -0.24 0.00 0.00 0.00 0.00 179.25 179.55 1nqu h ALA 140 N 1.35 0.42 -0.78 0.00 0.00 -0.86 -1.29 119.26 118.10 1nqu h ALA 140 Ca 0.04 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1nqu h ALA 140 Cb 0.71 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 1nqu h ALA 140 CO 0.05 0.40 0.50 1.25 0.00 0.00 0.00 179.25 181.45 1nqu h LEU 141 N 0.42 0.91 -0.82 0.00 5.85 -0.75 -0.42 115.31 120.50 1nqu h LEU 141 Ca 0.05 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1nqu h LEU 141 Cb 0.79 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 1nqu h LEU 141 CO 0.06 0.68 0.51 -1.28 -0.34 0.00 0.00 178.44 178.07 1nqu h SER 142 N 1.06 0.97 -0.31 1.25 0.87 -1.13 -2.00 113.55 114.28 1nqu h SER 142 Ca 0.28 -0.05 -0.08 0.00 -1.23 0.00 0.00 61.79 60.71 1nqu h SER 142 Cb -0.10 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.60 1nqu h SER 142 CO -0.06 0.74 -0.09 0.00 -0.53 0.00 0.00 176.83 176.89 1nqu h ALA 143 N 1.28 1.08 -0.03 6.23 0.00 -0.41 0.07 119.26 127.47 1nqu h ALA 143 Ca 0.30 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1nqu h ALA 143 Cb -0.07 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 1nqu h ALA 143 CO -0.06 0.57 0.02 0.82 0.00 0.00 0.00 179.25 180.60 1nqu h ILE 144 N 0.66 1.01 -0.34 0.00 2.04 -0.77 -0.11 117.51 120.00 1nqu h ILE 144 Ca 0.12 -0.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.96 1nqu h ILE 144 Cb 0.53 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 1nqu h ILE 144 CO 0.03 0.01 0.21 -0.08 0.00 0.00 0.00 178.15 178.32 1nqu h GLU 145 N 0.04 0.46 -0.52 2.37 4.81 -1.06 -1.63 114.58 119.04 1nqu h GLU 145 Ca 0.01 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.09 1nqu h GLU 145 Cb -0.00 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 1nqu h GLU 145 CO -0.00 0.34 -0.11 0.52 -0.73 0.00 0.00 179.01 179.03 1nqu h MET 146 N 0.44 0.98 -0.50 1.92 2.86 -0.82 0.13 114.93 119.94 1nqu h MET 146 Ca 0.12 -0.36 -0.03 0.00 -2.06 0.00 0.00 59.70 57.38 1nqu h MET 146 Cb -0.00 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 1nqu h MET 146 CO -0.02 1.03 0.20 0.00 1.06 0.00 0.00 176.91 179.17 1nqu h ALA 147 N 0.99 0.64 -0.56 6.32 0.00 -0.79 0.39 119.26 126.26 1nqu h ALA 147 Ca 0.14 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1nqu h ALA 147 Cb 0.67 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1nqu h ALA 147 CO 0.05 0.25 0.18 -0.91 0.00 0.00 0.00 179.25 178.82 1nqu h ASN 148 N 0.66 0.80 -0.44 0.00 2.35 -1.10 -2.35 115.58 115.50 1nqu h ASN 148 Ca 0.17 -0.20 0.05 0.00 -0.55 0.00 0.00 56.30 55.77 1nqu h ASN 148 Cb 0.20 -0.21 -0.05 0.00 0.05 0.00 0.00 38.32 38.31 1nqu h ASN 148 CO -0.01 0.79 0.17 0.25 -1.65 0.00 0.00 177.43 176.98 1nqu h LEU 149 N 0.77 0.20 -1.73 1.61 5.85 -0.69 -2.45 115.31 118.87 1nqu h LEU 149 Ca 0.18 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 1nqu h LEU 149 Cb 0.27 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 1nqu h LEU 149 CO -0.01 0.15 -0.11 -0.26 -0.34 0.00 0.00 178.44 177.87 1nqu h PHE 150 N 0.35 0.00 -0.37 1.25 -1.00 -0.61 -0.81 116.94 115.76 1nqu h PHE 150 Ca 0.21 0.00 0.10 0.00 2.81 0.00 0.00 57.97 61.08 1nqu h PHE 150 Cb 0.18 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.73 1nqu h PHE 150 CO -0.14 0.11 0.26 0.87 -1.61 0.00 0.00 178.31 177.80 1nqu h LYS 151 N 0.00 0.06 0.00 1.51 1.57 -0.92 -1.62 116.57 117.17 1nqu h LYS 151 Ca -0.00 -0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.54 1nqu h LYS 151 Cb 0.44 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.70 1nqu h LYS 151 CO 0.01 0.04 -2.05 -1.13 -0.57 0.00 0.00 179.45 175.76 1nqu n SER 152 N -4.44 1.02 0.09 0.86 3.41 -0.76 -4.70 113.62 109.10 1nqu n SER 152 Ca 0.06 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.49 1nqu n SER 152 Cb 0.40 1.07 -0.14 0.00 -0.26 0.00 0.00 64.21 65.28 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 -0.01 1.04 5.85 -1.01 -3.53 115.31 118.10 1nqu h LEU 153 Ca -0.35 -0.53 0.00 0.00 0.84 0.00 0.00 57.88 57.84 1nqu h LEU 153 Cb 1.76 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.64 1nqu h LEU 153 CO 0.02 1.43 0.00 -1.14 -0.34 0.00 0.00 178.44 178.41