#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 4.52 -0.11 2.12 -0.21 -1.26 -5.05 119.66 119.67 1nqu s GLN 2 Ca 0.00 1.41 0.02 0.00 0.02 0.00 0.00 55.36 56.81 1nqu s GLN 2 Cb 0.00 -3.48 0.01 0.00 1.00 0.00 0.00 33.01 30.54 1nqu s GLN 2 CO 0.00 -0.12 -0.16 0.42 -2.12 0.00 0.00 175.29 173.30 1nqu s ILE 3 N 1.28 1.60 -0.11 1.08 1.01 -1.26 -5.11 121.20 119.70 1nqu s ILE 3 Ca 0.51 -0.70 0.01 0.00 0.00 0.00 0.00 60.65 60.47 1nqu s ILE 3 Cb -0.20 -1.45 -0.02 0.00 0.01 0.00 0.00 42.46 40.80 1nqu s ILE 3 CO 0.25 0.46 -0.14 -0.31 0.00 0.00 0.00 174.94 175.20 1nqu s TYR 4 N 0.96 2.77 0.18 3.97 1.51 -1.26 -5.12 117.35 120.36 1nqu s TYR 4 Ca -0.07 -0.53 -0.15 0.00 -1.01 0.00 0.00 57.07 55.32 1nqu s TYR 4 Cb -0.15 -1.78 0.02 0.00 -0.11 0.00 0.00 41.96 39.94 1nqu s TYR 4 CO -0.02 -0.11 0.44 -1.83 -1.11 0.00 0.00 175.55 172.92 1nqu s GLU 5 N 0.05 1.27 -0.12 -0.62 -1.05 -1.26 -5.12 118.70 111.85 1nqu s GLU 5 Ca -0.05 -0.94 -0.03 0.00 -0.15 0.00 0.00 54.97 53.81 1nqu s GLU 5 Cb -0.15 0.47 -0.03 0.00 -0.44 0.00 0.00 34.13 33.99 1nqu s GLU 5 CO 0.04 -0.52 -0.03 0.20 0.95 0.00 0.00 175.26 175.91 1nqu s GLY 6 N -2.89 1.76 1.01 -3.83 0.00 -1.26 -4.46 107.32 97.65 1nqu s GLY 6 Ca 0.11 -0.82 -0.16 0.00 0.00 0.00 0.00 44.72 43.84 1nqu s GLY 6 CO -0.03 -0.31 1.24 0.54 0.00 0.00 0.00 173.10 174.54 1nqu s LYS 7 N -0.20 0.32 -0.02 2.90 1.02 -1.26 -4.85 119.74 117.65 1nqu s LYS 7 Ca 0.04 -0.23 0.10 0.00 0.02 0.00 0.00 55.97 55.90 1nqu s LYS 7 Cb -0.13 -1.79 0.28 0.00 -0.52 0.00 0.00 37.83 35.67 1nqu s LYS 7 CO 0.02 -2.66 1.23 1.28 -0.92 0.00 0.00 175.35 174.30 1nqu n LEU 8 N -3.98 2.86 -4.77 3.17 4.77 -1.26 -4.08 117.00 113.71 1nqu n LEU 8 Ca 0.13 -2.10 -0.39 0.00 -0.03 0.00 0.00 56.01 53.62 1nqu n LEU 8 Cb 0.60 -0.23 -0.06 0.00 -2.33 0.00 0.00 43.42 41.40 1nqu n LEU 8 CO 0.47 0.69 0.37 0.42 -1.33 0.00 0.00 177.39 178.01 1nqu s THR 9 N -1.19 4.71 -0.39 -5.08 -4.23 -1.26 -4.85 115.64 103.35 1nqu s THR 9 Ca 0.21 1.43 0.14 0.00 -1.18 0.00 0.00 61.69 62.29 1nqu s THR 9 Cb 0.12 -4.01 0.39 0.00 1.34 0.00 0.00 72.50 70.34 1nqu s THR 9 CO 0.13 0.46 1.31 0.00 -0.54 0.00 0.00 174.62 175.97 1nqu n ALA 10 N 2.26 2.58 -1.66 3.99 0.00 0.87 -4.98 120.51 123.57 1nqu n ALA 10 Ca -0.06 -1.88 -0.47 0.00 0.00 0.00 0.00 53.44 51.03 1nqu n ALA 10 Cb 0.50 -0.53 -0.04 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 2.05 -0.32 0.00 2.13 -1.24 -1.63 120.64 121.34 1nqu n GLU 11 Ca 0.16 0.74 0.00 0.00 0.66 0.00 0.00 57.16 58.72 1nqu n GLU 11 Cb 0.67 -2.50 0.00 0.00 0.27 0.00 0.00 31.44 29.87 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 3.40 2.33 3.83 8.31 0.00 -1.26 -4.98 105.19 116.81 1nqu n GLY 12 Ca 0.17 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 4.08 -0.10 0.99 1.43 -0.65 -5.06 118.68 119.36 1nqu s LEU 13 Ca 0.00 1.53 0.02 0.00 -1.03 0.00 0.00 54.13 54.65 1nqu s LEU 13 Cb 0.00 -4.21 0.01 0.00 0.03 0.00 0.00 46.19 42.02 1nqu s LEU 13 CO 0.00 -0.23 -0.17 -0.13 0.23 0.00 0.00 176.35 176.05 1nqu s ARG 14 N -2.84 2.37 0.03 1.70 0.52 -1.26 -4.60 118.95 114.86 1nqu s ARG 14 Ca 0.56 -0.63 0.08 0.00 -0.52 0.00 0.00 55.73 55.22 1nqu s ARG 14 Cb -0.11 -1.94 -0.02 0.00 0.52 0.00 0.00 34.95 33.39 1nqu s ARG 14 CO 0.17 0.00 -0.24 -0.06 0.02 0.00 0.00 175.30 175.19 1nqu s PHE 15 N 0.80 2.08 -0.11 -0.53 0.40 -0.59 -0.59 117.98 119.43 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 -0.04 0.00 0.51 0.00 0.00 43.02 42.07 1nqu s PHE 15 CO 0.01 0.08 0.03 0.20 0.70 0.00 0.00 175.22 176.24 1nqu s GLY 16 N -1.06 1.90 -0.11 4.36 0.00 -0.48 -0.56 107.32 111.37 1nqu s GLY 16 Ca 0.10 -0.77 0.03 0.00 0.00 0.00 0.00 44.72 44.08 1nqu s GLY 16 CO 0.01 -0.39 -0.21 -0.42 0.00 0.00 0.00 173.10 172.10 1nqu s ILE 17 N -0.58 1.85 -0.21 0.90 1.01 0.78 -0.38 121.20 124.57 1nqu s ILE 17 Ca 0.10 -0.88 -0.03 0.00 0.00 0.00 0.00 60.65 59.84 1nqu s ILE 17 Cb -0.12 -1.63 -0.01 0.00 0.01 0.00 0.00 42.46 40.72 1nqu s ILE 17 CO 0.02 0.51 -0.07 -0.69 0.00 0.00 0.00 174.94 174.71 1nqu s VAL 18 N 0.61 3.18 -0.08 2.92 1.01 -0.65 -0.31 120.40 127.07 1nqu s VAL 18 Ca -0.13 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.30 1nqu s VAL 18 Cb -0.17 -2.43 0.02 0.00 0.00 0.00 0.00 36.38 33.81 1nqu s VAL 18 CO 0.04 0.45 -0.09 0.00 0.00 0.00 0.00 175.10 175.49 1nqu s ALA 19 N 1.36 1.20 0.57 5.51 0.00 -0.12 -0.58 121.76 129.70 1nqu s ALA 19 Ca 0.04 -0.41 -0.09 0.00 0.00 0.00 0.00 51.96 51.50 1nqu s ALA 19 Cb -0.14 -0.68 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 1nqu s ALA 19 CO -0.04 -0.11 0.95 -1.54 0.00 0.00 0.00 175.76 175.02 1nqu s SER 20 N 1.10 6.26 0.03 0.00 1.04 -0.87 -2.03 113.70 119.23 1nqu s SER 20 Ca -0.07 1.27 0.21 0.00 0.48 0.00 0.00 55.95 57.84 1nqu s SER 20 Cb -0.14 -2.40 -0.21 0.00 0.10 0.00 0.00 66.02 63.37 1nqu s SER 20 CO -0.01 -0.76 0.64 0.54 0.98 0.00 0.00 173.24 174.63 1nqu n ARG 21 N -2.52 0.64 -1.77 4.02 1.74 0.06 -4.76 116.66 114.07 1nqu n ARG 21 Ca 0.04 -0.04 -0.41 0.00 -0.77 0.00 0.00 57.85 56.67 1nqu n ARG 21 Cb 0.54 -1.64 -0.01 0.00 -1.02 0.00 0.00 32.46 30.33 1nqu n ARG 21 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1nqu s PHE 22 N -3.30 2.64 -1.46 -1.55 5.36 -0.50 -1.39 117.98 117.79 1nqu s PHE 22 Ca -0.05 0.95 -0.08 0.00 -0.96 0.00 0.00 56.93 56.79 1nqu s PHE 22 Cb 0.11 -4.07 0.02 0.00 -0.34 0.00 0.00 43.02 38.75 1nqu s PHE 22 CO 0.86 -3.37 0.90 0.09 -1.46 0.00 0.00 175.22 172.24 1nqu n ASN 23 N 1.31 -5.90 0.27 6.13 3.02 -1.26 -4.54 115.26 114.29 1nqu n ASN 23 Ca 0.05 -0.47 0.11 0.00 -0.03 0.00 0.00 54.58 54.23 1nqu n ASN 23 Cb 0.38 -4.70 0.76 0.00 -0.61 0.00 0.00 39.78 35.60 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 -2.03 0.00 0.00 3.10 2.07 -1.53 -0.67 115.15 116.09 1nqu h HIS 24 Ca -0.55 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 56.95 1nqu h HIS 24 Cb 1.36 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.34 1nqu h HIS 24 CO 0.53 0.02 -0.08 0.00 -3.07 0.00 0.00 177.93 175.33 1nqu h ALA 25 N 1.98 1.50 0.04 6.11 0.00 -1.90 0.17 119.26 127.16 1nqu h ALA 25 Ca -0.00 -0.07 -0.33 0.00 0.00 0.00 0.00 54.91 54.50 1nqu h ALA 25 Cb 0.03 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1nqu h ALA 25 CO 0.00 0.10 -1.85 1.28 0.00 0.00 0.00 179.25 178.78 1nqu n LEU 26 N -3.91 2.22 -0.32 0.00 4.77 -0.39 -4.26 117.00 115.11 1nqu n LEU 26 Ca -0.02 0.28 0.06 0.00 -0.03 0.00 0.00 56.01 56.30 1nqu n LEU 26 Cb 0.17 -0.98 0.21 0.00 -2.33 0.00 0.00 43.42 40.50 1nqu n LEU 26 CO 0.31 0.57 1.16 0.58 -1.33 0.00 0.00 177.39 178.68 1nqu h VAL 27 N -0.59 0.86 -0.31 4.08 2.07 -0.92 -1.50 116.25 119.94 1nqu h VAL 27 Ca -0.47 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 66.78 1nqu h VAL 27 Cb 1.64 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 1nqu h VAL 27 CO -0.16 0.15 0.20 0.44 0.02 0.00 0.00 177.57 178.22 1nqu h ASP 28 N 0.81 0.36 -0.46 0.57 3.32 -0.88 -0.10 116.42 120.03 1nqu h ASP 28 Ca 0.45 -0.01 -0.13 0.00 0.02 0.00 0.00 57.03 57.36 1nqu h ASP 28 Cb 0.50 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 1nqu h ASP 28 CO -0.29 0.26 -0.22 0.03 -1.72 0.00 0.00 179.24 177.31 1nqu h ARG 29 N 0.42 0.97 -0.83 3.56 2.47 -1.46 -1.94 114.38 117.57 1nqu h ARG 29 Ca 0.11 -0.42 0.01 0.00 -1.26 0.00 0.00 59.98 58.42 1nqu h ARG 29 Cb -0.04 -0.03 -0.04 0.00 -1.65 0.00 0.00 29.97 28.21 1nqu h ARG 29 CO -0.02 1.09 0.54 -0.07 0.56 0.00 0.00 179.97 182.06 1nqu h LEU 30 N 0.81 0.96 -0.36 3.04 3.38 -0.78 -1.58 115.31 120.78 1nqu h LEU 30 Ca 0.10 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1nqu h LEU 30 Cb 0.80 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1nqu h LEU 30 CO 0.07 0.70 0.09 0.58 0.09 0.00 0.00 178.44 179.97 1nqu h VAL 31 N 1.12 1.22 -0.69 1.22 2.07 -1.02 -0.35 116.25 119.82 1nqu h VAL 31 Ca 0.30 -0.76 0.09 0.00 0.82 0.00 0.00 66.70 67.16 1nqu h VAL 31 Cb -0.11 1.03 -0.07 0.00 -1.52 0.00 0.00 31.29 30.62 1nqu h VAL 31 CO -0.06 0.26 0.33 -0.33 0.02 0.00 0.00 177.57 177.79 1nqu h GLU 32 N 0.43 0.55 -0.63 1.57 5.08 -1.15 -1.27 114.58 119.16 1nqu h GLU 32 Ca 0.11 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 1nqu h GLU 32 Cb 0.30 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1nqu h GLU 32 CO 0.00 0.36 0.13 0.78 -1.00 0.00 0.00 179.01 179.28 1nqu h GLY 33 N 0.56 1.10 0.93 -3.84 0.00 -0.82 -1.38 103.07 99.61 1nqu h GLY 33 Ca 0.34 -0.71 -0.04 0.00 0.00 0.00 0.00 47.33 46.92 1nqu h GLY 33 CO -0.28 0.66 0.06 0.00 0.00 0.00 0.00 176.54 176.99 1nqu h ALA 34 N 1.04 0.50 -0.34 3.60 0.00 -0.62 -0.88 119.26 122.56 1nqu h ALA 34 Ca 0.19 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1nqu h ALA 34 Cb 0.40 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1nqu h ALA 34 CO 0.01 0.21 0.04 0.82 0.00 0.00 0.00 179.25 180.32 1nqu h ILE 35 N 0.47 1.24 -0.54 0.00 2.04 -1.16 -1.81 117.51 117.75 1nqu h ILE 35 Ca 0.12 -0.88 0.01 0.00 1.00 0.00 0.00 64.86 65.11 1nqu h ILE 35 Cb 0.36 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 1nqu h ILE 35 CO 0.01 0.29 0.34 -0.78 0.00 0.00 0.00 178.15 178.01 1nqu h ASP 36 N 0.40 0.57 -0.34 1.72 3.58 -1.13 -0.05 116.42 121.17 1nqu h ASP 36 Ca 0.10 -0.01 0.03 0.00 0.42 0.00 0.00 57.03 57.57 1nqu h ASP 36 Cb 0.39 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.28 1nqu h ASP 36 CO 0.01 0.41 0.16 0.00 -2.88 0.00 0.00 179.24 176.94 1nqu h ILE 38 N 0.33 0.83 -0.30 0.00 2.04 -0.83 -2.37 117.51 117.20 1nqu h ILE 38 Ca 0.14 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 1nqu h ILE 38 Cb 0.07 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 1nqu h ILE 38 CO -0.11 0.04 0.14 0.58 0.00 0.00 0.00 178.15 178.80 1nqu h VAL 39 N -0.36 1.15 0.00 1.67 2.07 -0.85 -0.92 116.25 119.01 1nqu h VAL 39 Ca -0.03 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1nqu h VAL 39 Cb 0.28 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1nqu h VAL 39 CO 0.05 0.16 0.00 0.54 0.02 0.00 0.00 177.57 178.33 1nqu n ARG 40 N -4.78 0.03 -0.04 1.57 1.74 -0.21 -1.41 116.66 113.56 1nqu n ARG 40 Ca -0.02 0.09 0.12 0.00 -0.77 0.00 0.00 57.85 57.27 1nqu n ARG 40 Cb 0.10 -1.54 0.48 0.00 -1.02 0.00 0.00 32.46 30.49 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 0.10 0.00 -1.55 8.25 -0.89 -4.93 115.22 114.60 1nqu n HIS 41 Ca 0.06 -0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 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 1.12 0.59 3.79 -1.41 0.00 -0.50 -0.09 105.19 108.70 1nqu n GLY 42 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.89 2.61 0.07 -0.02 0.00 -0.38 -3.63 107.32 105.09 1nqu s GLY 43 Ca 0.00 0.65 -0.21 0.00 0.00 0.00 0.00 44.72 45.15 1nqu s GLY 43 CO 0.00 1.02 0.64 0.50 0.00 0.00 0.00 173.10 175.25 1nqu s ARG 44 N -2.88 4.33 0.49 2.90 0.52 -1.26 -4.09 118.95 118.96 1nqu s ARG 44 Ca 0.63 0.86 0.15 0.00 -0.52 0.00 0.00 55.73 56.84 1nqu s ARG 44 Cb -0.19 -3.28 1.16 0.00 0.52 0.00 0.00 34.95 33.16 1nqu s ARG 44 CO 0.23 0.54 2.10 1.05 0.02 0.00 0.00 175.30 179.23 1nqu h GLU 45 N 4.83 0.05 0.00 3.54 -0.00 -1.95 -0.54 114.58 120.50 1nqu h GLU 45 Ca -0.48 -0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.88 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 0.66 0.08 0.00 0.93 -0.00 0.00 0.00 179.01 180.68 1nqu h GLU 46 N 0.05 0.00 -0.65 1.06 3.07 -2.00 -2.13 114.58 113.98 1nqu h GLU 46 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1nqu h GLU 46 Cb 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.00 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 -2.91 4.11 -4.76 1.42 8.00 -0.21 -4.83 116.55 117.38 1nqu n ASP 47 Ca -0.01 -2.30 -0.36 0.00 0.71 0.00 0.00 54.79 52.83 1nqu n ASP 47 Cb 0.17 -0.52 -0.08 0.00 -0.02 0.00 0.00 41.12 40.67 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 -1.65 5.15 -0.20 0.53 1.01 -0.80 -1.54 121.20 123.70 1nqu s ILE 48 Ca 0.45 0.08 -0.02 0.00 0.00 0.00 0.00 60.65 61.16 1nqu s ILE 48 Cb 0.28 -3.28 -0.00 0.00 0.01 0.00 0.00 42.46 39.47 1nqu s ILE 48 CO 0.24 0.54 -0.09 -0.89 0.00 0.00 0.00 174.94 174.74 1nqu s THR 49 N -0.34 3.06 -0.19 2.92 2.01 0.27 -4.97 115.64 118.39 1nqu s THR 49 Ca 0.10 -0.61 -0.06 0.00 0.31 0.00 0.00 61.69 61.43 1nqu s THR 49 Cb -0.12 -2.36 -0.03 0.00 0.01 0.00 0.00 72.50 70.00 1nqu s THR 49 CO 0.01 0.46 0.03 -0.22 -0.69 0.00 0.00 174.62 174.21 1nqu s LEU 50 N 1.26 3.52 -0.13 4.42 2.96 -1.26 -0.16 118.68 129.29 1nqu s LEU 50 Ca 0.03 -0.06 0.02 0.00 -0.22 0.00 0.00 54.13 53.90 1nqu s LEU 50 Cb -0.14 -1.89 0.00 0.00 0.50 0.00 0.00 46.19 44.66 1nqu s LEU 50 CO -0.04 0.12 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.23 1nqu s VAL 51 N 0.66 2.32 -0.10 1.68 1.01 0.57 -4.97 120.40 121.57 1nqu s VAL 51 Ca 0.01 -0.90 -0.06 0.00 0.00 0.00 0.00 61.98 61.03 1nqu s VAL 51 Cb -0.14 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 1nqu s VAL 51 CO 0.02 0.54 0.12 -0.13 0.00 0.00 0.00 175.10 175.65 1nqu s ARG 52 N 0.64 3.37 0.11 2.72 0.52 -1.26 -0.95 118.95 124.10 1nqu s ARG 52 Ca -0.10 -0.19 0.01 0.00 -0.52 0.00 0.00 55.73 54.93 1nqu s ARG 52 Cb -0.16 -3.12 -0.04 0.00 0.52 0.00 0.00 34.95 32.14 1nqu s ARG 52 CO 0.02 0.76 -0.05 0.14 0.02 0.00 0.00 175.30 176.19 1nqu s VAL 53 N -1.04 0.63 0.08 3.52 -7.23 -0.86 -4.94 120.40 110.56 1nqu s VAL 53 Ca 0.16 -1.93 -0.29 0.00 -1.81 0.00 0.00 61.98 58.11 1nqu s VAL 53 Cb -0.12 -1.74 -0.16 0.00 0.56 0.00 0.00 36.38 34.92 1nqu s VAL 53 CO 0.05 -0.81 1.66 -0.65 -0.31 0.00 0.00 175.10 175.04 1nqu h PRO 54 N 2.94 -0.56 -4.59 4.82 0.11 -1.94 0.21 132.00 132.99 1nqu h PRO 54 Ca -0.35 0.04 -0.35 0.00 0.11 0.00 0.00 66.00 65.44 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 -0.38 -0.43 0.20 -0.21 0.00 0.00 178.00 177.83 1nqu s GLY 55 N -2.17 1.86 0.43 -0.55 0.00 -1.26 -1.40 107.32 104.23 1nqu s GLY 55 Ca -0.16 -1.81 0.12 0.00 0.00 0.00 0.00 44.72 42.88 1nqu s GLY 55 CO 0.64 -1.31 2.00 1.76 0.00 0.00 0.00 173.10 176.20 1nqu h SER 56 N 2.24 0.38 -0.82 1.64 0.02 -1.91 -0.97 113.55 114.13 1nqu h SER 56 Ca -0.28 0.00 0.14 0.00 -0.84 0.00 0.00 61.79 60.81 1nqu h SER 56 Cb 1.24 -0.08 -0.06 0.00 0.14 0.00 0.00 62.40 63.64 1nqu h SER 56 CO 0.40 0.24 0.54 -0.25 -1.14 0.00 0.00 176.83 176.63 1nqu h TRP 57 N 0.43 0.68 -0.00 3.45 2.91 -1.96 -1.80 115.95 119.66 1nqu h TRP 57 Ca 0.24 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.28 1nqu h TRP 57 Cb 0.38 -0.21 0.00 0.00 -0.51 0.00 0.00 29.16 28.81 1nqu h TRP 57 CO -0.00 0.26 -0.29 0.39 -1.03 0.00 0.00 178.44 177.77 1nqu n GLU 58 N -4.52 0.53 -0.06 2.65 4.71 -0.37 -4.24 120.64 119.33 1nqu n GLU 58 Ca 0.16 -0.28 -0.10 0.00 -0.01 0.00 0.00 57.16 56.93 1nqu n GLU 58 Cb 0.47 -1.49 -0.03 0.00 -1.01 0.00 0.00 31.44 29.38 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 0.69 1.05 -0.32 -3.67 2.04 -1.26 -3.18 117.51 112.87 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 0.48 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 1nqu h ILE 59 CO 0.00 0.06 0.13 -0.65 0.00 0.00 0.00 178.15 177.68 1nqu h PRO 60 N 0.30 0.27 -0.67 2.37 0.11 -1.76 0.60 132.00 133.22 1nqu h PRO 60 Ca 0.09 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.16 1nqu h PRO 60 Cb -0.02 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 30.99 1nqu h PRO 60 CO -0.03 0.18 0.31 -0.24 -0.21 0.00 0.00 178.00 178.01 1nqu h VAL 61 N 0.28 1.22 -0.41 3.15 3.04 -1.84 0.97 116.25 122.65 1nqu h VAL 61 Ca 0.14 -0.63 -0.14 0.00 -1.01 0.00 0.00 66.70 65.06 1nqu h VAL 61 Cb 0.09 0.37 -0.01 0.00 -2.01 0.00 0.00 31.29 29.74 1nqu h VAL 61 CO -0.13 0.26 -0.28 0.00 -1.01 0.00 0.00 177.57 176.41 1nqu h ALA 62 N 1.39 0.59 -0.45 3.17 0.00 -1.46 -3.00 119.26 119.50 1nqu h ALA 62 Ca 0.23 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1nqu h ALA 62 Cb 0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1nqu h ALA 62 CO -0.03 0.61 0.17 0.00 0.00 0.00 0.00 179.25 180.00 1nqu h ALA 63 N 0.80 1.46 -0.96 0.00 0.00 -0.16 -1.88 119.26 118.52 1nqu h ALA 63 Ca 0.08 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1nqu h ALA 63 Cb 0.86 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 1nqu h ALA 63 CO 0.08 0.41 0.62 0.78 0.00 0.00 0.00 179.25 181.14 1nqu h GLY 64 N 0.80 1.36 1.04 0.00 0.00 -0.75 0.20 103.07 105.73 1nqu h GLY 64 Ca 0.15 -0.52 -0.14 0.00 0.00 0.00 0.00 47.33 46.82 1nqu h GLY 64 CO -0.01 0.51 -0.33 0.83 0.00 0.00 0.00 176.54 177.54 1nqu h GLU 65 N 1.31 0.81 -0.38 4.80 4.39 -1.23 -2.73 114.58 121.55 1nqu h GLU 65 Ca 0.35 -0.42 -0.12 0.00 0.34 0.00 0.00 59.36 59.51 1nqu h GLU 65 Cb -0.13 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 1nqu h GLU 65 CO -0.07 1.06 -0.22 -0.07 -1.16 0.00 0.00 179.01 178.55 1nqu h LEU 66 N 0.59 0.85 -1.77 1.33 3.38 -1.04 -3.04 115.31 115.59 1nqu h LEU 66 Ca 0.05 -0.42 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 1nqu h LEU 66 Cb 0.91 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 1nqu h LEU 66 CO 0.08 1.08 -0.12 0.00 0.09 0.00 0.00 178.44 179.57 1nqu h ALA 67 N 0.79 1.18 0.00 1.53 0.00 -0.61 -1.68 119.26 120.47 1nqu h ALA 67 Ca 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1nqu h ALA 67 Cb 0.78 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1nqu h ALA 67 CO 0.06 0.15 0.00 0.54 0.00 0.00 0.00 179.25 180.00 1nqu n ARG 68 N -3.49 0.17 -2.28 0.00 1.74 -1.03 -4.79 116.66 106.98 1nqu n ARG 68 Ca -0.01 0.24 -0.42 0.00 -0.77 0.00 0.00 57.85 56.88 1nqu n ARG 68 Cb 0.27 -1.74 -0.03 0.00 -1.02 0.00 0.00 32.46 29.95 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 -3.13 4.33 0.52 5.56 1.02 -0.63 -4.92 119.74 122.49 1nqu s LYS 69 Ca 0.09 1.91 0.26 0.00 0.02 0.00 0.00 55.97 58.25 1nqu s LYS 69 Cb 0.12 -3.45 1.42 0.00 -0.52 0.00 0.00 37.83 35.41 1nqu s LYS 69 CO 0.50 -0.46 2.08 1.49 -0.92 0.00 0.00 175.35 178.03 1nqu h GLU 70 N 7.35 0.00 -0.66 1.68 4.22 -1.88 -2.42 114.58 122.87 1nqu h GLU 70 Ca -0.39 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.05 1nqu h GLU 70 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1nqu h GLU 70 CO 0.87 0.12 0.00 -0.40 -2.18 0.00 0.00 179.01 177.42 1nqu n ASP 71 N -3.75 4.18 -4.28 1.04 5.75 -1.26 -4.77 116.55 113.46 1nqu n ASP 71 Ca -0.02 -2.54 -0.34 0.00 -0.01 0.00 0.00 54.79 51.87 1nqu n ASP 71 Cb 0.22 -0.58 -0.14 0.00 -1.03 0.00 0.00 41.12 39.59 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 -2.09 3.05 0.04 2.12 -1.09 -0.91 -4.77 121.20 117.56 1nqu s ILE 72 Ca 0.40 -0.61 0.09 0.00 -2.23 0.00 0.00 60.65 58.30 1nqu s ILE 72 Cb 0.28 -2.36 -0.22 0.00 -1.58 0.00 0.00 42.46 38.58 1nqu s ILE 72 CO 0.15 0.46 1.00 0.44 -1.23 0.00 0.00 174.94 175.75 1nqu h ASP 73 N 7.91 0.02 -5.00 3.58 3.32 -1.15 -3.47 116.42 121.64 1nqu h ASP 73 Ca -0.41 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 56.56 1nqu h ASP 73 Cb 1.16 -0.01 -0.16 0.00 0.22 0.00 0.00 39.33 40.54 1nqu h ASP 73 CO 0.61 1.03 0.17 0.00 -1.72 0.00 0.00 179.24 179.32 1nqu s ALA 74 N -2.66 -1.63 -0.05 3.45 0.00 -1.22 -4.48 121.76 115.17 1nqu s ALA 74 Ca -0.02 0.90 0.05 0.00 0.00 0.00 0.00 51.96 52.90 1nqu s ALA 74 Cb 0.09 0.37 -0.02 0.00 0.00 0.00 0.00 23.12 23.56 1nqu s ALA 74 CO 0.82 -0.53 -0.21 0.08 0.00 0.00 0.00 175.76 175.92 1nqu s VAL 75 N -2.28 2.45 -0.21 0.00 1.01 -0.68 -1.38 120.40 119.31 1nqu s VAL 75 Ca -0.06 -0.94 -0.03 0.00 0.00 0.00 0.00 61.98 60.95 1nqu s VAL 75 Cb -0.00 -1.91 -0.01 0.00 0.00 0.00 0.00 36.38 34.46 1nqu s VAL 75 CO 0.00 0.58 -0.07 -0.63 0.00 0.00 0.00 175.10 174.98 1nqu s ILE 76 N -0.43 3.19 -0.22 2.22 1.01 0.48 -0.26 121.20 127.20 1nqu s ILE 76 Ca 0.05 -0.56 -0.12 0.00 0.00 0.00 0.00 60.65 60.02 1nqu s ILE 76 Cb -0.12 -2.43 -0.05 0.00 0.01 0.00 0.00 42.46 39.87 1nqu s ILE 76 CO 0.01 0.45 0.22 0.00 0.00 0.00 0.00 174.94 175.63 1nqu s ALA 77 N 1.33 3.61 -0.10 9.38 0.00 -0.54 -1.64 121.76 133.80 1nqu s ALA 77 Ca 0.04 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.28 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 -0.09 0.42 0.00 0.00 0.00 175.76 175.93 1nqu s ILE 78 N 0.93 1.04 0.23 0.00 1.01 0.26 0.24 121.20 124.91 1nqu s ILE 78 Ca 0.11 -0.33 -0.22 0.00 0.00 0.00 0.00 60.65 60.21 1nqu s ILE 78 Cb -0.13 -1.03 0.04 0.00 0.01 0.00 0.00 42.46 41.35 1nqu s ILE 78 CO 0.04 0.36 0.83 -0.83 0.00 0.00 0.00 174.94 175.34 1nqu s GLY 79 N 1.43 -0.11 -0.16 6.18 0.00 -1.16 -2.05 107.32 111.45 1nqu s GLY 79 Ca -0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 44.72 44.52 1nqu s GLY 79 CO -0.05 0.02 0.04 0.14 0.00 0.00 0.00 173.10 173.24 1nqu s VAL 80 N -3.51 0.39 -0.18 1.40 1.01 -1.26 -1.23 120.40 117.02 1nqu s VAL 80 Ca 0.12 -0.32 -0.07 0.00 0.00 0.00 0.00 61.98 61.71 1nqu s VAL 80 Cb -0.04 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 1nqu s VAL 80 CO 0.05 -0.10 0.05 -0.76 0.00 0.00 0.00 175.10 174.34 1nqu s LEU 81 N 1.93 3.71 -0.07 3.92 1.43 -0.08 -4.71 118.68 124.82 1nqu s LEU 81 Ca 0.01 0.04 0.02 0.00 -1.03 0.00 0.00 54.13 53.17 1nqu s LEU 81 Cb -0.16 -1.93 0.01 0.00 0.03 0.00 0.00 46.19 44.14 1nqu s LEU 81 CO -0.07 0.17 -0.12 -0.63 0.23 0.00 0.00 176.35 175.92 1nqu s ILE 82 N 0.40 1.16 0.24 -0.59 1.01 -1.26 -0.63 121.20 121.53 1nqu s ILE 82 Ca 0.02 -0.49 -0.30 0.00 0.00 0.00 0.00 60.65 59.87 1nqu s ILE 82 Cb -0.13 -1.06 -0.10 0.00 0.01 0.00 0.00 42.46 41.18 1nqu s ILE 82 CO 0.01 0.36 1.53 -0.60 0.00 0.00 0.00 174.94 176.23 1nqu s ARG 83 N 0.69 4.21 0.00 2.79 3.52 -0.18 -4.91 118.95 125.07 1nqu s ARG 83 Ca -0.14 2.40 0.00 0.00 -0.13 0.00 0.00 55.73 57.86 1nqu s ARG 83 Cb -0.16 -3.10 0.00 0.00 -1.56 0.00 0.00 34.95 30.13 1nqu s ARG 83 CO 0.03 -0.54 0.00 0.41 -0.81 0.00 0.00 175.30 174.40 1nqu n GLY 84 N 2.69 2.42 0.17 8.12 0.00 -1.26 -4.82 105.19 112.51 1nqu n GLY 84 Ca 0.09 -2.04 0.04 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 -0.77 0.94 -1.48 4.61 0.00 -2.01 -3.46 119.26 117.09 1nqu h ALA 85 Ca 0.00 -0.40 -0.51 0.00 0.00 0.00 0.00 54.91 54.01 1nqu h ALA 85 Cb 0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1nqu h ALA 85 CO 0.00 0.54 -0.39 0.95 0.00 0.00 0.00 179.25 180.35 1nqu s THR 86 N -3.51 2.55 -2.00 0.00 -4.23 -1.26 -5.01 115.64 102.18 1nqu s THR 86 Ca 0.00 -1.41 0.03 0.00 -1.18 0.00 0.00 61.69 59.14 1nqu s THR 86 Cb 0.11 -2.96 0.09 0.00 1.34 0.00 0.00 72.50 71.08 1nqu s THR 86 CO 0.71 0.00 0.83 -0.81 -0.54 0.00 0.00 174.62 174.81 1nqu n PRO 87 N -1.51 0.69 -0.24 3.99 -0.04 -1.26 -4.10 135.00 132.53 1nqu n PRO 87 Ca 0.03 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.53 1nqu n PRO 87 Cb 0.62 -1.07 0.15 0.00 -0.04 0.00 0.00 33.50 33.16 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 0.05 -0.70 0.54 2.76 -1.94 -0.25 115.15 115.61 1nqu h HIS 88 Ca 0.00 0.05 0.15 0.00 -2.20 0.00 0.00 60.37 58.37 1nqu h HIS 88 Cb 0.00 0.09 -0.11 0.00 1.55 0.00 0.00 27.41 28.94 1nqu h HIS 88 CO 0.00 -0.18 0.11 0.35 -1.30 0.00 0.00 177.93 176.92 1nqu h PHE 89 N 0.15 0.16 -0.42 5.26 3.57 -1.91 -1.85 116.94 121.90 1nqu h PHE 89 Ca 0.39 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.95 1nqu h PHE 89 Cb 0.67 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.42 1nqu h PHE 89 CO -0.36 -0.12 0.24 -0.44 -2.23 0.00 0.00 178.31 175.41 1nqu h ASP 90 N 0.21 0.39 -0.28 0.41 3.45 -1.35 0.50 116.42 119.76 1nqu h ASP 90 Ca 0.38 0.00 -0.15 0.00 0.43 0.00 0.00 57.03 57.70 1nqu h ASP 90 Cb 0.64 -0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 39.33 1nqu h ASP 90 CO -0.52 0.28 -0.39 1.88 -1.57 0.00 0.00 179.24 178.92 1nqu h TYR 91 N 0.49 0.99 -0.16 4.55 0.05 -1.24 -0.19 116.97 121.46 1nqu h TYR 91 Ca 0.17 -0.29 -0.05 0.00 0.05 0.00 0.00 58.73 58.61 1nqu h TYR 91 Cb 0.01 -0.21 -0.00 0.00 1.01 0.00 0.00 36.73 37.54 1nqu h TYR 91 CO -0.07 1.08 -0.09 0.82 -1.05 0.00 0.00 178.16 178.85 1nqu h ILE 92 N 0.68 1.32 -0.77 -2.88 2.04 -1.16 -2.30 117.51 114.43 1nqu h ILE 92 Ca 0.06 -1.16 -0.00 0.00 1.00 0.00 0.00 64.86 64.76 1nqu h ILE 92 Cb 0.96 1.75 -0.04 0.00 -0.74 0.00 0.00 36.82 38.75 1nqu h ILE 92 CO 0.09 0.34 0.47 0.00 0.00 0.00 0.00 178.15 179.05 1nqu h ALA 93 N 0.66 0.99 -0.32 1.87 0.00 -0.81 0.17 119.26 121.81 1nqu h ALA 93 Ca 0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1nqu h ALA 93 Cb 0.57 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1nqu h ALA 93 CO 0.03 0.45 0.18 0.77 0.00 0.00 0.00 179.25 180.67 1nqu h SER 94 N 1.06 0.40 0.44 0.00 0.02 -1.01 -2.01 113.55 112.45 1nqu h SER 94 Ca 0.28 -0.08 -0.17 0.00 -0.84 0.00 0.00 61.79 60.97 1nqu h SER 94 Cb -0.04 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 1nqu h SER 94 CO -0.05 0.36 -0.74 -0.33 -1.14 0.00 0.00 176.83 174.93 1nqu h GLU 95 N 0.40 0.24 -0.31 3.45 4.39 -1.02 -0.94 114.58 120.79 1nqu h GLU 95 Ca 0.11 -0.21 -0.08 0.00 0.34 0.00 0.00 59.36 59.53 1nqu h GLU 95 Cb 0.05 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 1nqu h GLU 95 CO -0.02 0.88 -0.11 0.28 -1.16 0.00 0.00 179.01 178.88 1nqu h VAL 96 N 0.16 1.29 -0.35 3.13 2.07 -0.91 -0.42 116.25 121.21 1nqu h VAL 96 Ca -0.03 -1.18 -0.03 0.00 0.82 0.00 0.00 66.70 66.28 1nqu h VAL 96 Cb 1.31 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 1nqu h VAL 96 CO 0.12 0.38 0.10 0.77 0.02 0.00 0.00 177.57 178.95 1nqu h SER 97 N 0.39 0.53 -0.50 0.57 4.64 -1.35 -2.07 113.55 115.74 1nqu h SER 97 Ca 0.07 -0.22 -0.02 0.00 -0.47 0.00 0.00 61.79 61.16 1nqu h SER 97 Cb 0.62 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.55 1nqu h SER 97 CO 0.04 0.61 0.25 0.50 -0.87 0.00 0.00 176.83 177.36 1nqu h LYS 98 N 0.42 0.72 -0.06 4.77 3.64 -1.10 -2.00 116.57 122.96 1nqu h LYS 98 Ca 0.11 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1nqu h LYS 98 Cb 0.28 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1nqu h LYS 98 CO -0.00 0.59 0.04 0.78 -2.27 0.00 0.00 179.45 178.59 1nqu h GLY 99 N 0.67 0.09 0.97 5.01 0.00 -0.97 0.08 103.07 108.91 1nqu h GLY 99 Ca 0.17 -0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.45 1nqu h GLY 99 CO -0.02 0.04 0.22 1.41 0.00 0.00 0.00 176.54 178.18 1nqu h LEU 100 N 0.05 0.55 -0.50 3.11 3.38 -1.33 -0.59 115.31 119.98 1nqu h LEU 100 Ca 0.02 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1nqu h LEU 100 Cb 0.03 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1nqu h LEU 100 CO -0.00 0.50 0.19 0.00 0.09 0.00 0.00 178.44 179.22 1nqu h ALA 101 N 1.07 0.65 -0.61 1.53 0.00 -1.17 -1.90 119.26 118.83 1nqu h ALA 101 Ca 0.15 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1nqu h ALA 101 Cb 0.09 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1nqu h ALA 101 CO -0.02 0.27 0.29 -0.91 0.00 0.00 0.00 179.25 178.88 1nqu h ASN 102 N 0.67 0.80 -0.78 0.00 -0.26 -0.84 -2.56 115.58 112.62 1nqu h ASN 102 Ca 0.17 -0.14 -0.03 0.00 -0.56 0.00 0.00 56.30 55.74 1nqu h ASN 102 Cb 0.21 -0.21 -0.04 0.00 -1.06 0.00 0.00 38.32 37.23 1nqu h ASN 102 CO -0.01 0.71 0.37 -0.07 -1.06 0.00 0.00 177.43 177.37 1nqu h LEU 103 N 0.84 1.03 -0.60 1.61 3.38 -0.91 0.68 115.31 121.33 1nqu h LEU 103 Ca 0.21 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 58.05 1nqu h LEU 103 Cb 0.13 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1nqu h LEU 103 CO -0.03 0.88 0.38 -1.28 0.09 0.00 0.00 178.44 178.49 1nqu h SER 104 N 1.10 0.65 -0.25 -0.43 0.87 -1.12 0.48 113.55 114.85 1nqu h SER 104 Ca 0.27 -0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.72 1nqu h SER 104 Cb 0.13 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1nqu h SER 104 CO -0.03 0.46 -0.24 -0.07 -0.53 0.00 0.00 176.83 176.42 1nqu h LEU 105 N 0.77 0.65 -0.58 2.23 3.38 -1.09 0.01 115.31 120.68 1nqu h LEU 105 Ca 0.23 -0.47 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 1nqu h LEU 105 Cb -0.04 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1nqu h LEU 105 CO -0.07 0.99 0.27 -0.08 0.09 0.00 0.00 178.44 179.64 1nqu h GLU 106 N 0.33 0.83 -0.02 1.13 4.81 -0.57 -3.01 114.58 118.08 1nqu h GLU 106 Ca 0.04 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1nqu h GLU 106 Cb 0.80 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.03 1nqu h GLU 106 CO 0.06 0.68 -0.09 1.28 -0.73 0.00 0.00 179.01 180.21 1nqu n LEU 107 N -4.54 1.69 -3.92 1.64 4.77 0.13 -4.96 117.00 111.81 1nqu n LEU 107 Ca 0.03 -0.55 -0.27 0.00 -0.03 0.00 0.00 56.01 55.20 1nqu n LEU 107 Cb 0.13 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.18 1nqu n LEU 107 CO 0.38 0.29 -0.21 0.54 -1.33 0.00 0.00 177.39 177.05 1nqu n ARG 108 N 0.18 -2.93 -3.79 3.23 1.74 -0.05 -4.98 116.66 110.05 1nqu n ARG 108 Ca 0.16 0.40 -0.13 0.00 -0.77 0.00 0.00 57.85 57.51 1nqu n ARG 108 Cb 0.40 -4.42 -0.13 0.00 -1.02 0.00 0.00 32.46 27.30 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 -6.50 0.20 0.17 5.56 2.20 -0.95 -5.06 119.74 115.37 1nqu s LYS 109 Ca 0.08 0.31 -0.31 0.00 -0.36 0.00 0.00 55.97 55.68 1nqu s LYS 109 Cb -0.03 0.04 -0.10 0.00 -1.51 0.00 0.00 37.83 36.24 1nqu s LYS 109 CO 0.89 -0.06 1.52 -2.14 -0.36 0.00 0.00 175.35 175.20 1nqu s PRO 110 N 0.37 4.24 -0.15 4.03 0.02 -1.26 -4.49 135.00 137.76 1nqu s PRO 110 Ca -0.02 2.31 -0.00 0.00 0.02 0.00 0.00 61.00 63.31 1nqu s PRO 110 Cb -0.04 -3.16 0.04 0.00 0.02 0.00 0.00 34.50 31.36 1nqu s PRO 110 CO -0.02 -0.55 -0.06 0.42 -0.33 0.00 0.00 177.00 176.46 1nqu s ILE 111 N 0.93 1.09 0.27 2.83 1.01 -1.26 -1.69 121.20 124.38 1nqu s ILE 111 Ca 0.67 -0.52 0.04 0.00 0.00 0.00 0.00 60.65 60.84 1nqu s ILE 111 Cb -0.43 -1.21 -0.03 0.00 0.01 0.00 0.00 42.46 40.80 1nqu s ILE 111 CO 0.33 0.20 0.40 0.42 0.00 0.00 0.00 174.94 176.30 1nqu s THR 112 N 1.66 5.11 -0.55 2.92 -4.23 0.64 -4.94 115.64 116.24 1nqu s THR 112 Ca 0.02 -0.91 -0.04 0.00 -1.18 0.00 0.00 61.69 59.58 1nqu s THR 112 Cb -0.14 -3.81 0.14 0.00 1.34 0.00 0.00 72.50 70.03 1nqu s THR 112 CO -0.08 -0.35 0.38 0.12 -0.54 0.00 0.00 174.62 174.15 1nqu s PHE 113 N -2.06 3.48 -0.44 3.99 5.36 -1.26 -1.47 117.98 125.58 1nqu s PHE 113 Ca 0.36 -2.50 0.04 0.00 -0.96 0.00 0.00 56.93 53.88 1nqu s PHE 113 Cb -0.09 -3.28 0.50 0.00 -0.34 0.00 0.00 43.02 39.81 1nqu s PHE 113 CO 0.30 -0.91 1.65 0.41 -1.46 0.00 0.00 175.22 175.22 1nqu n GLY 114 N 4.00 5.55 3.54 13.12 0.00 0.14 -4.73 105.19 126.81 1nqu n GLY 114 Ca 0.03 -1.93 -0.40 0.00 0.00 0.00 0.00 46.02 43.72 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 -4.12 5.28 0.22 1.61 1.01 -1.21 -2.98 120.40 120.21 1nqu s VAL 115 Ca 0.55 -0.11 -0.30 0.00 0.00 0.00 0.00 61.98 62.12 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 0.03 1.14 -0.63 0.00 0.00 0.00 175.10 175.66 1nqu s ILE 116 N 1.76 3.61 -0.48 2.22 1.01 -0.36 -4.93 121.20 124.03 1nqu s ILE 116 Ca 0.07 1.45 0.03 0.00 0.00 0.00 0.00 60.65 62.20 1nqu s ILE 116 Cb -0.17 -3.93 0.15 0.00 0.01 0.00 0.00 42.46 38.52 1nqu s ILE 116 CO 0.11 0.28 0.30 0.42 0.00 0.00 0.00 174.94 176.04 1nqu s THR 117 N -0.49 1.49 0.02 2.92 -4.23 -1.26 -0.91 115.64 113.19 1nqu s THR 117 Ca 0.49 -2.87 0.00 0.00 -1.18 0.00 0.00 61.69 58.13 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 0.38 -0.97 0.10 0.00 -0.54 0.00 0.00 174.62 173.59 1nqu s ALA 118 N -0.01 3.64 0.16 3.99 0.00 0.20 -5.01 121.76 124.73 1nqu s ALA 118 Ca 0.21 -0.90 0.07 0.00 0.00 0.00 0.00 51.96 51.35 1nqu s ALA 118 Cb -0.16 -1.58 -0.08 0.00 0.00 0.00 0.00 23.12 21.30 1nqu s ALA 118 CO -0.06 0.72 1.36 -0.44 0.00 0.00 0.00 175.76 177.34 1nqu h ASP 119 N 3.78 0.02 -4.12 0.00 3.32 -1.93 -0.46 116.42 117.04 1nqu h ASP 119 Ca -0.48 -0.02 -0.30 0.00 0.02 0.00 0.00 57.03 56.25 1nqu h ASP 119 Cb 1.18 -0.01 -0.15 0.00 0.22 0.00 0.00 39.33 40.57 1nqu h ASP 119 CO 0.65 0.92 -0.71 0.42 -1.72 0.00 0.00 179.24 178.80 1nqu s THR 120 N -2.93 1.06 0.21 0.35 -4.23 -1.26 -3.99 115.64 104.84 1nqu s THR 120 Ca 0.00 -2.03 -0.09 0.00 -1.18 0.00 0.00 61.69 58.39 1nqu s THR 120 Cb 0.11 -1.81 0.16 0.00 1.34 0.00 0.00 72.50 72.30 1nqu s THR 120 CO 0.81 -0.78 1.85 0.25 -0.54 0.00 0.00 174.62 176.22 1nqu h LEU 121 N 2.83 0.95 -0.72 4.79 5.85 -1.92 -2.10 115.31 124.98 1nqu h LEU 121 Ca -0.36 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.34 1nqu h LEU 121 Cb 1.18 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.92 1nqu h LEU 121 CO 0.64 0.73 0.43 -0.08 -0.34 0.00 0.00 178.44 179.82 1nqu h GLU 122 N 1.08 0.78 -0.72 1.25 4.81 -1.99 -0.10 114.58 119.69 1nqu h GLU 122 Ca 0.28 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.45 1nqu h GLU 122 Cb -0.04 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.13 1nqu h GLU 122 CO -0.05 0.52 0.40 1.96 -0.73 0.00 0.00 179.01 181.10 1nqu h GLN 123 N 0.81 0.99 -0.40 1.92 4.20 -1.85 -0.90 115.11 119.89 1nqu h GLN 123 Ca 0.31 -0.10 -0.07 0.00 0.06 0.00 0.00 58.65 58.85 1nqu h GLN 123 Cb 0.13 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 1nqu h GLN 123 CO -0.15 0.72 -0.01 0.00 -0.67 0.00 0.00 178.83 178.72 1nqu h ALA 124 N 1.44 0.54 -0.68 3.87 0.00 -0.60 -2.76 119.26 121.07 1nqu h ALA 124 Ca 0.26 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1nqu h ALA 124 Cb 0.02 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1nqu h ALA 124 CO -0.04 0.32 0.37 0.82 0.00 0.00 0.00 179.25 180.72 1nqu h ILE 125 N 0.53 1.21 -0.78 0.00 2.04 -0.65 -2.05 117.51 117.81 1nqu h ILE 125 Ca 0.11 -0.52 0.13 0.00 1.00 0.00 0.00 64.86 65.58 1nqu h ILE 125 Cb 0.49 0.32 -0.05 0.00 -0.74 0.00 0.00 36.82 36.84 1nqu h ILE 125 CO 0.02 0.23 0.52 -0.33 0.00 0.00 0.00 178.15 178.59 1nqu h GLU 126 N 0.93 0.52 -0.18 2.37 5.08 -1.01 -2.40 114.58 119.89 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 0.04 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1nqu h GLU 126 CO -0.04 0.35 0.00 0.54 -1.00 0.00 0.00 179.01 178.86 1nqu n ARG 127 N -4.50 2.33 -2.29 2.33 1.74 -0.83 -0.31 116.66 115.13 1nqu n ARG 127 Ca 0.15 -1.97 -0.30 0.00 -0.77 0.00 0.00 57.85 54.96 1nqu n ARG 127 Cb 0.46 -1.48 0.01 0.00 -1.02 0.00 0.00 32.46 30.44 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 1.28 5.47 -0.22 7.54 0.00 -0.88 -1.73 120.51 131.97 1nqu n ALA 128 Ca 0.17 -4.23 0.00 0.00 0.00 0.00 0.00 53.44 49.37 1nqu n ALA 128 Cb 0.57 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 19.09 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 -0.51 0.88 0.00 0.00 0.00 0.48 -4.71 105.19 101.33 1nqu n GLY 129 Ca 0.44 -0.24 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 -2.20 0.00 0.29 2.61 -2.24 -1.17 -4.93 114.28 106.64 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 0.00 0.00 0.87 0.00 -2.10 0.00 0.00 70.33 69.11 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 -0.55 -0.78 2.10 -1.81 -1.43 116.57 114.11 1nqu h LYS 131 Ca 0.00 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 58.41 1nqu h LYS 131 Cb 0.00 0.00 -0.15 0.00 -0.90 0.00 0.00 32.23 31.18 1nqu h LYS 131 CO 0.00 0.04 0.15 0.72 -2.00 0.00 0.00 179.45 178.37 1nqu n HIS 132 N -3.26 1.72 -3.60 0.07 8.25 0.58 -5.04 115.22 113.94 1nqu n HIS 132 Ca -0.01 -1.52 0.00 0.00 -0.26 0.00 0.00 57.72 55.93 1nqu n HIS 132 Cb 0.21 -0.61 0.00 0.00 1.12 0.00 0.00 29.99 30.71 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 -0.93 -1.08 2.71 -1.41 0.00 -0.54 -4.65 105.19 99.29 1nqu n GLY 133 Ca 0.39 -1.30 -0.25 0.00 0.00 0.00 0.00 46.02 44.85 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 2.30 0.49 1.61 3.84 -1.26 -0.39 114.94 117.54 1nqu s ASN 134 Ca 0.00 -0.51 0.26 0.00 0.21 0.00 0.00 52.86 52.82 1nqu s ASN 134 Cb 0.00 -0.44 1.22 0.00 -0.55 0.00 0.00 41.25 41.47 1nqu s ASN 134 CO 0.00 -0.28 1.96 0.50 -2.79 0.00 0.00 177.10 176.49 1nqu h LYS 135 N 8.32 0.00 -0.31 0.43 1.63 -1.65 -2.10 116.57 122.89 1nqu h LYS 135 Ca -0.17 0.00 -0.07 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 0.29 0.17 -0.09 0.78 -3.45 0.00 0.00 179.45 177.15 1nqu h GLY 136 N 1.45 0.65 0.96 5.01 0.00 -1.83 -1.07 103.07 108.24 1nqu h GLY 136 Ca -0.00 -0.55 0.01 0.00 0.00 0.00 0.00 47.33 46.79 1nqu h GLY 136 CO 0.02 0.50 0.29 -0.25 0.00 0.00 0.00 176.54 177.10 1nqu h TRP 137 N 0.37 0.55 -0.49 5.60 7.01 -1.58 -1.08 115.95 126.33 1nqu h TRP 137 Ca 0.08 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.06 1nqu h TRP 137 Cb 0.59 -0.18 -0.02 0.00 -2.10 0.00 0.00 29.16 27.44 1nqu h TRP 137 CO 0.05 0.33 0.19 0.93 -2.79 0.00 0.00 178.44 177.15 1nqu h GLU 138 N 0.59 0.74 -0.24 2.65 5.08 -1.30 -0.87 114.58 121.23 1nqu h GLU 138 Ca 0.17 -0.14 -0.11 0.00 -1.00 0.00 0.00 59.36 58.29 1nqu h GLU 138 Cb -0.04 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1nqu h GLU 138 CO -0.05 0.67 -0.30 0.00 -1.00 0.00 0.00 179.01 178.32 1nqu h ALA 139 N 1.03 1.04 -0.30 3.43 0.00 -1.09 -1.25 119.26 122.12 1nqu h ALA 139 Ca 0.16 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1nqu h ALA 139 Cb 0.21 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1nqu h ALA 139 CO -0.01 0.58 0.03 0.00 0.00 0.00 0.00 179.25 179.86 1nqu h ALA 140 N 1.26 0.40 -0.79 0.00 0.00 -0.94 -1.28 119.26 117.91 1nqu h ALA 140 Ca 0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1nqu h ALA 140 Cb 0.74 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1nqu h ALA 140 CO 0.06 0.11 0.45 1.25 0.00 0.00 0.00 179.25 181.12 1nqu h LEU 141 N 0.33 0.97 -0.84 0.00 5.85 -0.90 -0.27 115.31 120.44 1nqu h LEU 141 Ca 0.09 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1nqu h LEU 141 Cb 0.37 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 1nqu h LEU 141 CO 0.01 0.77 0.53 -1.28 -0.34 0.00 0.00 178.44 178.14 1nqu h SER 142 N 1.09 0.99 -0.35 1.25 0.87 -1.08 -2.03 113.55 114.29 1nqu h SER 142 Ca 0.28 -0.05 -0.09 0.00 -1.23 0.00 0.00 61.79 60.71 1nqu h SER 142 Cb 0.01 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.70 1nqu h SER 142 CO -0.05 0.74 -0.08 0.00 -0.53 0.00 0.00 176.83 176.92 1nqu h ALA 143 N 1.29 1.04 -0.00 6.23 0.00 -0.25 0.31 119.26 127.88 1nqu h ALA 143 Ca 0.31 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1nqu h ALA 143 Cb -0.09 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 1nqu h ALA 143 CO -0.06 0.59 0.00 0.82 0.00 0.00 0.00 179.25 180.59 1nqu h ILE 144 N 0.70 1.01 -0.31 0.00 2.04 -0.79 -0.07 117.51 120.09 1nqu h ILE 144 Ca 0.13 -0.02 0.01 0.00 1.00 0.00 0.00 64.86 65.97 1nqu h ILE 144 Cb 0.54 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 1nqu h ILE 144 CO 0.03 0.00 0.19 -0.08 0.00 0.00 0.00 178.15 178.30 1nqu h GLU 145 N -0.00 0.39 -0.57 2.37 4.81 -1.02 -1.63 114.58 118.93 1nqu h GLU 145 Ca 0.00 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.12 1nqu h GLU 145 Cb 0.01 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 1nqu h GLU 145 CO -0.00 0.26 0.03 0.52 -0.73 0.00 0.00 179.01 179.08 1nqu h MET 146 N 0.40 0.99 -0.40 1.92 2.86 -0.80 0.41 114.93 120.30 1nqu h MET 146 Ca 0.11 -0.30 -0.01 0.00 -2.06 0.00 0.00 59.70 57.45 1nqu h MET 146 Cb -0.03 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.51 1nqu h MET 146 CO -0.03 0.97 0.22 0.00 1.06 0.00 0.00 176.91 179.13 1nqu h ALA 147 N 0.98 0.52 -0.62 6.32 0.00 -0.84 0.48 119.26 126.10 1nqu h ALA 147 Ca 0.16 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1nqu h ALA 147 Cb 0.51 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1nqu h ALA 147 CO 0.02 0.04 0.38 -0.91 0.00 0.00 0.00 179.25 178.79 1nqu h ASN 148 N 0.52 0.74 -0.50 0.00 2.35 -1.11 -2.36 115.58 115.22 1nqu h ASN 148 Ca 0.14 -0.05 0.03 0.00 -0.55 0.00 0.00 56.30 55.86 1nqu h ASN 148 Cb 0.06 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.21 1nqu h ASN 148 CO -0.02 0.58 0.29 0.25 -1.65 0.00 0.00 177.43 176.88 1nqu h LEU 149 N 0.84 0.47 -1.80 1.61 5.85 -0.55 -2.32 115.31 119.40 1nqu h LEU 149 Ca 0.22 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 1nqu h LEU 149 Cb -0.03 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 40.90 1nqu h LEU 149 CO -0.04 0.33 -0.08 -0.26 -0.34 0.00 0.00 178.44 178.05 1nqu h PHE 150 N 0.59 0.00 -0.14 1.25 -1.00 -0.61 -0.76 116.94 116.26 1nqu h PHE 150 Ca 0.20 0.00 0.04 0.00 2.81 0.00 0.00 57.97 61.02 1nqu h PHE 150 Cb 0.03 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.58 1nqu h PHE 150 CO -0.07 0.08 0.10 0.87 -1.61 0.00 0.00 178.31 177.68 1nqu h LYS 151 N 0.00 0.00 0.00 1.51 1.57 -0.89 -1.34 116.57 117.42 1nqu h LYS 151 Ca -0.00 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.51 1nqu h LYS 151 Cb 0.41 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.67 1nqu h LYS 151 CO 0.01 0.00 -2.06 -1.13 -0.57 0.00 0.00 179.45 175.70 1nqu n SER 152 N -4.49 1.14 0.10 0.86 3.41 -0.67 -4.71 113.62 109.26 1nqu n SER 152 Ca 0.00 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.43 1nqu n SER 152 Cb 0.23 0.94 -0.14 0.00 -0.26 0.00 0.00 64.21 64.97 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 0.51 -0.02 1.04 5.85 -1.07 -3.53 115.31 118.09 1nqu h LEU 153 Ca -0.40 -0.59 0.00 0.00 0.84 0.00 0.00 57.88 57.73 1nqu h LEU 153 Cb 1.90 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.76 1nqu h LEU 153 CO 0.02 1.47 0.00 -1.14 -0.34 0.00 0.00 178.44 178.45