#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e7n n ALA 0 N 0.00 0.00 0.00 5.20 0.00 -1.26 -5.19 120.51 119.26 3e7n n ALA 0 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3e7n n ALA 0 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3e7n n ALA 0 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3e7n n LYS 2 N 0.00 0.00 -2.17 0.00 4.81 -1.26 -5.06 118.16 114.48 3e7n n LYS 2 Ca 0.00 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 57.08 3e7n n LYS 2 Cb 0.00 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.06 3e7n n LYS 2 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 3e7n s LYS 3 N 0.00 3.44 0.00 1.64 1.02 -1.26 -4.83 119.74 119.75 3e7n s LYS 3 Ca 0.00 1.78 0.00 0.00 0.02 0.00 0.00 55.97 57.77 3e7n s LYS 3 Cb 0.00 -2.19 0.00 0.00 -0.52 0.00 0.00 37.83 35.12 3e7n s LYS 3 CO 0.00 -0.81 0.00 0.41 -0.92 0.00 0.00 175.35 174.03 3e7n n GLY 4 N 0.40 -1.30 0.00 -3.33 0.00 -1.26 -4.82 105.19 94.88 3e7n n GLY 4 Ca 0.10 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 44.03 3e7n n GLY 4 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3e7n n THR 5 N 0.00 0.00 -3.02 2.61 -2.24 -1.26 -4.89 114.28 105.48 3e7n n THR 5 Ca 0.00 -0.40 -0.44 0.00 -2.27 0.00 0.00 64.05 60.93 3e7n n THR 5 Cb 0.00 1.09 -0.03 0.00 -2.10 0.00 0.00 70.33 69.30 3e7n n THR 5 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3e7n s VAL 6 N -0.41 4.84 -0.14 2.28 1.01 -1.26 -4.87 120.40 121.86 3e7n s VAL 6 Ca 0.00 -1.49 0.19 0.00 0.00 0.00 0.00 61.98 60.68 3e7n s VAL 6 Cb 0.00 -4.67 -0.16 0.00 0.00 0.00 0.00 36.38 31.55 3e7n s VAL 6 CO 0.00 -1.36 0.71 0.18 0.00 0.00 0.00 175.10 174.63 3e7n n LEU 7 N 6.22 0.61 -4.74 3.92 4.77 -1.26 -4.84 117.00 121.69 3e7n n LEU 7 Ca 0.14 0.26 -0.42 0.00 -0.03 0.00 0.00 56.01 55.96 3e7n n LEU 7 Cb 0.47 0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.63 3e7n n LEU 7 CO 0.50 0.11 1.14 0.21 -1.33 0.00 0.00 177.39 178.02 3e7n s ASN 8 N -5.47 6.64 0.15 -1.43 3.84 -1.26 -4.91 114.94 112.49 3e7n s ASN 8 Ca -0.04 2.64 -0.13 0.00 0.21 0.00 0.00 52.86 55.53 3e7n s ASN 8 Cb 0.09 -2.61 0.02 0.00 -0.55 0.00 0.00 41.25 38.20 3e7n s ASN 8 CO 0.83 -0.74 1.62 0.77 -2.79 0.00 0.00 177.10 176.79 3e7n h SER 9 N 5.64 0.78 -0.15 -4.21 4.64 -1.99 -1.45 113.55 116.80 3e7n h SER 9 Ca -0.45 -0.27 -0.21 0.00 -0.47 0.00 0.00 61.79 60.39 3e7n h SER 9 Cb 1.21 -0.21 0.01 0.00 -0.31 0.00 0.00 62.40 63.10 3e7n h SER 9 CO 0.82 0.85 -0.73 -0.33 -0.87 0.00 0.00 176.83 176.57 3e7n h GLU 10 N 0.68 0.79 -0.53 4.77 4.39 -1.99 -1.35 114.58 121.34 3e7n h GLU 10 Ca 0.14 -0.61 -0.03 0.00 0.34 0.00 0.00 59.36 59.20 3e7n h GLU 10 Cb 0.41 0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.16 3e7n h GLU 10 CO 0.01 1.23 0.23 0.82 -1.16 0.00 0.00 179.01 180.14 3e7n h ILE 11 N 0.56 1.21 -0.78 3.13 2.04 -1.96 -0.49 117.51 121.22 3e7n h ILE 11 Ca -0.04 -0.63 -0.02 0.00 1.00 0.00 0.00 64.86 65.17 3e7n h ILE 11 Cb 1.35 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 38.03 3e7n h ILE 11 CO 0.15 0.24 0.40 0.28 0.00 0.00 0.00 178.15 179.22 3e7n h SER 12 N 0.72 1.00 -0.22 1.72 0.02 -1.19 -1.04 113.55 114.55 3e7n h SER 12 Ca 0.18 -0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 3e7n h SER 12 Cb 0.16 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 3e7n h SER 12 CO -0.02 0.83 0.01 -1.28 -1.14 0.00 0.00 176.83 175.24 3e7n h SER 13 N 1.09 0.38 0.57 3.07 0.87 -0.94 -2.52 113.55 116.07 3e7n h SER 13 Ca 0.27 -0.29 -0.15 0.00 -1.23 0.00 0.00 61.79 60.39 3e7n h SER 13 Cb 0.08 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 61.92 3e7n h SER 13 CO -0.04 0.57 -0.68 1.62 -0.53 0.00 0.00 176.83 177.77 3e7n h VAL 14 N 0.17 1.46 -0.41 2.23 3.04 -0.78 -2.70 116.25 119.25 3e7n h VAL 14 Ca 0.07 -2.26 -0.11 0.00 -1.01 0.00 0.00 66.70 63.39 3e7n h VAL 14 Cb 0.37 2.21 -0.01 0.00 -2.01 0.00 0.00 31.29 31.84 3e7n h VAL 14 CO 0.01 0.65 -0.20 0.40 -1.01 0.00 0.00 177.57 177.42 3e7n h ILE 15 N 0.07 1.27 0.00 3.17 2.04 -1.21 -2.77 117.51 120.08 3e7n h ILE 15 Ca -0.01 -1.31 0.00 0.00 1.00 0.00 0.00 64.86 64.53 3e7n h ILE 15 Cb 1.21 1.17 0.00 0.00 -0.74 0.00 0.00 36.82 38.46 3e7n h ILE 15 CO 0.10 0.44 0.00 0.77 0.00 0.00 0.00 178.15 179.46 3e7n h SER 16 N 0.70 0.00 -0.03 1.72 4.64 -1.14 -2.55 113.55 116.90 3e7n h SER 16 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3e7n h SER 16 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 3e7n h SER 16 CO 0.05 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.55 3e7n n ARG 17 N -2.86 1.88 -2.45 4.77 1.74 -1.05 -4.97 116.66 113.72 3e7n n ARG 17 Ca 0.01 -1.28 -0.41 0.00 -0.77 0.00 0.00 57.85 55.41 3e7n n ARG 17 Cb 0.29 -1.47 -0.04 0.00 -1.02 0.00 0.00 32.46 30.22 3e7n n ARG 17 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3e7n s LEU 18 N -1.99 4.52 0.48 0.55 1.43 -0.96 -5.07 118.68 117.64 3e7n s LEU 18 Ca 0.35 2.24 0.05 0.00 -1.03 0.00 0.00 54.13 55.74 3e7n s LEU 18 Cb 0.21 -3.62 -0.02 0.00 0.03 0.00 0.00 46.19 42.79 3e7n s LEU 18 CO 0.32 -0.21 0.15 -0.83 0.23 0.00 0.00 176.35 176.01 3e7n s GLY 19 N -0.54 2.61 0.10 -3.19 0.00 -1.26 -5.05 107.32 99.98 3e7n s GLY 19 Ca 0.47 -1.34 -0.35 0.00 0.00 0.00 0.00 44.72 43.50 3e7n s GLY 19 CO 0.39 -2.04 1.54 1.57 0.00 0.00 0.00 173.10 174.56 3e7n n HIS 20 N -1.34 2.04 -0.29 1.90 -0.00 -1.26 -1.51 115.22 114.77 3e7n n HIS 20 Ca -0.08 0.37 0.00 0.00 0.46 0.00 0.00 57.72 58.47 3e7n n HIS 20 Cb 0.66 -2.49 0.00 0.00 -0.12 0.00 0.00 29.99 28.04 3e7n n HIS 20 CO 0.00 0.00 0.00 0.25 0.46 0.00 0.00 176.34 177.05 3e7n n THR 21 N 3.35 0.00 -1.80 3.57 -2.24 -0.10 -5.00 114.28 112.07 3e7n n THR 21 Ca 0.18 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.60 3e7n n THR 21 Cb 0.25 -0.02 0.06 0.00 -2.10 0.00 0.00 70.33 68.52 3e7n n THR 21 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3e7n s ASP 22 N -3.48 4.73 0.16 3.42 1.01 -0.57 -4.70 116.67 117.24 3e7n s ASP 22 Ca 0.00 2.57 0.11 0.00 0.71 0.00 0.00 52.55 55.93 3e7n s ASP 22 Cb 0.00 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.27 3e7n s ASP 22 CO 0.00 -1.92 -0.23 0.42 0.21 0.00 0.00 175.17 173.65 3e7n s THR 23 N -1.45 2.45 -0.04 -1.27 -4.23 -1.26 -1.31 115.64 108.53 3e7n s THR 23 Ca 0.81 -1.85 0.01 0.00 -1.18 0.00 0.00 61.69 59.49 3e7n s THR 23 Cb -0.36 -2.14 0.02 0.00 1.34 0.00 0.00 72.50 71.36 3e7n s THR 23 CO 0.38 -0.02 -0.06 -0.22 -0.54 0.00 0.00 174.62 174.16 3e7n s LEU 24 N -2.42 1.51 -0.12 4.79 2.96 -0.36 -0.58 118.68 124.46 3e7n s LEU 24 Ca 0.18 -0.14 -0.04 0.00 -0.22 0.00 0.00 54.13 53.92 3e7n s LEU 24 Cb -0.09 -0.46 -0.03 0.00 0.50 0.00 0.00 46.19 46.11 3e7n s LEU 24 CO 0.09 -0.01 0.02 -0.69 -1.32 0.00 0.00 176.35 174.43 3e7n s VAL 25 N 0.64 4.41 -0.18 1.68 1.01 -0.51 -0.54 120.40 126.91 3e7n s VAL 25 Ca -0.09 -0.19 -0.02 0.00 0.00 0.00 0.00 61.98 61.68 3e7n s VAL 25 Cb -0.12 -2.90 -0.01 0.00 0.00 0.00 0.00 36.38 33.35 3e7n s VAL 25 CO 0.00 0.56 -0.09 -0.69 0.00 0.00 0.00 175.10 174.89 3e7n s VAL 26 N -0.42 3.19 0.31 2.92 1.01 -0.48 -0.09 120.40 126.84 3e7n s VAL 26 Ca 0.08 -0.58 0.04 0.00 0.00 0.00 0.00 61.98 61.52 3e7n s VAL 26 Cb -0.12 -2.41 -0.06 0.00 0.00 0.00 0.00 36.38 33.79 3e7n s VAL 26 CO 0.02 0.47 0.04 0.00 0.00 0.00 0.00 175.10 175.63 3e7n s ASP 28 N -3.45 3.99 0.32 0.00 1.47 -0.80 -0.99 116.67 117.21 3e7n s ASP 28 Ca 0.35 -0.37 0.25 0.00 1.18 0.00 0.00 52.55 53.96 3e7n s ASP 28 Cb 0.08 0.13 1.09 0.00 -0.34 0.00 0.00 42.92 43.88 3e7n s ASP 28 CO 0.14 -2.12 1.76 0.00 0.68 0.00 0.00 175.17 175.64 3e7n h ALA 29 N -0.78 1.00 -0.01 2.11 0.00 -0.98 -3.12 119.26 117.48 3e7n h ALA 29 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3e7n h ALA 29 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3e7n h ALA 29 CO 0.37 0.00 -0.16 0.41 0.00 0.00 0.00 179.25 179.87 3e7n n GLY 30 N -0.15 -0.12 3.73 0.00 0.00 -1.26 -5.01 105.19 102.37 3e7n n GLY 30 Ca 0.01 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 3e7n n GLY 30 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3e7n s LEU 31 N -1.52 4.40 0.48 0.99 2.96 -1.18 -4.99 118.68 119.81 3e7n s LEU 31 Ca 0.12 2.38 -0.21 0.00 -0.22 0.00 0.00 54.13 56.20 3e7n s LEU 31 Cb 0.10 -3.60 -0.08 0.00 0.50 0.00 0.00 46.19 43.11 3e7n s LEU 31 CO 0.26 -0.56 1.07 -2.16 -1.32 0.00 0.00 176.35 173.63 3e7n s PRO 32 N 0.23 3.79 -0.20 0.98 0.04 -1.26 -5.00 135.00 133.57 3e7n s PRO 32 Ca 0.59 1.48 0.01 0.00 0.04 0.00 0.00 61.00 63.12 3e7n s PRO 32 Cb -0.37 -2.20 0.03 0.00 0.04 0.00 0.00 34.50 32.00 3e7n s PRO 32 CO 0.36 -0.46 -0.16 0.42 0.04 0.00 0.00 177.00 177.19 3e7n s ILE 33 N -1.83 2.20 0.64 0.56 1.01 -1.26 -5.10 121.20 117.42 3e7n s ILE 33 Ca 0.66 -1.08 -0.18 0.00 0.00 0.00 0.00 60.65 60.05 3e7n s ILE 33 Cb -0.20 -2.03 -0.01 0.00 0.01 0.00 0.00 42.46 40.23 3e7n s ILE 33 CO 0.24 0.38 1.23 -2.84 0.00 0.00 0.00 174.94 173.96 3e7n s PRO 34 N 1.26 2.68 0.00 2.79 0.02 -1.26 -4.91 135.00 135.58 3e7n s PRO 34 Ca 0.02 1.87 0.28 0.00 0.02 0.00 0.00 61.00 63.19 3e7n s PRO 34 Cb -0.15 -1.89 1.51 0.00 0.02 0.00 0.00 34.50 34.00 3e7n s PRO 34 CO -0.10 -1.44 1.99 0.27 -0.33 0.00 0.00 177.00 177.39 3e7n n ASN 35 N -1.92 0.00 0.00 2.53 0.23 -1.26 -2.68 115.26 112.16 3e7n n ASN 35 Ca 0.14 -0.37 0.11 0.00 -0.53 0.00 0.00 54.58 53.93 3e7n n ASN 35 Cb 0.49 -0.19 0.65 0.00 -2.08 0.00 0.00 39.78 38.65 3e7n n ASN 35 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3e7n n SER 36 N -1.19 0.00 -4.10 0.53 3.41 -1.26 -4.84 113.62 106.17 3e7n n SER 36 Ca 0.16 -1.31 -0.13 0.00 -0.26 0.00 0.00 58.87 57.33 3e7n n SER 36 Cb 0.18 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.02 3e7n n SER 36 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3e7n s THR 37 N -2.00 0.63 0.25 6.66 -1.32 -1.09 -4.90 115.64 113.86 3e7n s THR 37 Ca 0.33 -1.30 -0.30 0.00 -1.21 0.00 0.00 61.69 59.21 3e7n s THR 37 Cb 0.15 -0.90 -0.09 0.00 -1.51 0.00 0.00 72.50 70.15 3e7n s THR 37 CO 0.25 -0.48 1.19 0.00 -2.21 0.00 0.00 174.62 173.37 3e7n s ALA 38 N -1.89 3.44 -0.30 11.08 0.00 -1.21 -4.87 121.76 128.01 3e7n s ALA 38 Ca -0.04 0.99 -0.10 0.00 0.00 0.00 0.00 51.96 52.81 3e7n s ALA 38 Cb -0.06 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.64 3e7n s ALA 38 CO -0.01 -0.35 0.15 0.50 0.00 0.00 0.00 175.76 176.06 3e7n s ARG 39 N -0.94 3.55 -0.39 0.00 3.52 -1.26 -0.62 118.95 122.80 3e7n s ARG 39 Ca 0.49 -0.58 -0.03 0.00 -0.13 0.00 0.00 55.73 55.48 3e7n s ARG 39 Cb -0.34 -3.57 0.10 0.00 -1.56 0.00 0.00 34.95 29.58 3e7n s ARG 39 CO 0.41 -0.32 0.18 0.42 -0.81 0.00 0.00 175.30 175.17 3e7n s ILE 40 N 1.66 3.33 0.32 4.11 1.01 -0.26 -4.97 121.20 126.40 3e7n s ILE 40 Ca 0.06 -1.89 -0.04 0.00 0.00 0.00 0.00 60.65 58.78 3e7n s ILE 40 Cb -0.16 -3.20 -0.05 0.00 0.01 0.00 0.00 42.46 39.06 3e7n s ILE 40 CO 0.07 -0.58 0.58 -0.62 0.00 0.00 0.00 174.94 174.39 3e7n s ASP 41 N 1.76 6.40 0.23 3.58 -1.08 -1.26 -0.75 116.67 125.55 3e7n s ASP 41 Ca 0.06 0.69 0.00 0.00 -0.52 0.00 0.00 52.55 52.77 3e7n s ASP 41 Cb -0.22 -2.13 0.00 0.00 -1.46 0.00 0.00 42.92 39.10 3e7n s ASP 41 CO -0.03 -0.25 0.00 0.00 0.52 0.00 0.00 175.17 175.40 3e7n n ALA 43 N -1.23 -2.13 -0.10 3.66 0.00 -0.76 -4.94 120.51 115.00 3e7n n ALA 43 Ca -0.02 0.44 -0.16 0.00 0.00 0.00 0.00 53.44 53.70 3e7n n ALA 43 Cb 0.54 -1.37 -0.06 0.00 0.00 0.00 0.00 19.45 18.56 3e7n n ALA 43 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3e7n n LEU 44 N 1.44 1.90 -3.85 0.00 7.94 -0.17 -4.95 117.00 119.31 3e7n n LEU 44 Ca 0.00 0.42 -0.08 0.00 -1.11 0.00 0.00 56.01 55.24 3e7n n LEU 44 Cb 0.00 -0.83 -0.00 0.00 0.53 0.00 0.00 43.42 43.11 3e7n n LEU 44 CO 0.00 0.01 0.47 0.28 -1.11 0.00 0.00 177.39 177.04 3e7n s THR 45 N -2.55 0.00 -0.21 1.96 -1.32 -1.08 -5.04 115.64 107.40 3e7n s THR 45 Ca -0.28 -1.04 -0.39 0.00 -1.21 0.00 0.00 61.69 58.77 3e7n s THR 45 Cb 0.07 -2.43 -0.15 0.00 -1.51 0.00 0.00 72.50 68.47 3e7n s THR 45 CO 0.43 0.00 1.70 0.00 -2.21 0.00 0.00 174.62 174.54 3e7n n GLN 46 N -0.49 1.24 -0.99 7.08 3.00 -1.26 -0.72 117.38 125.23 3e7n n GLN 46 Ca -0.06 0.45 0.00 0.00 -0.01 0.00 0.00 57.00 57.39 3e7n n GLN 46 Cb 0.60 -2.15 0.00 0.00 0.00 0.00 0.00 30.24 28.69 3e7n n GLN 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3e7n n GLY 47 N 3.98 0.98 2.86 1.08 0.00 0.88 -5.00 105.19 109.98 3e7n n GLY 47 Ca 0.25 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.99 3e7n n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3e7n s VAL 48 N -3.92 1.00 0.65 1.61 1.01 0.10 -2.99 120.40 117.85 3e7n s VAL 48 Ca 0.00 -0.64 -0.10 0.00 0.00 0.00 0.00 61.98 61.24 3e7n s VAL 48 Cb 0.00 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 35.12 3e7n s VAL 48 CO 0.00 0.04 1.03 -2.16 0.00 0.00 0.00 175.10 174.01 3e7n s PRO 49 N 1.67 3.13 0.71 2.72 0.04 -1.26 -1.00 135.00 141.01 3e7n s PRO 49 Ca -0.00 0.46 -0.11 0.00 0.04 0.00 0.00 61.00 61.39 3e7n s PRO 49 Cb -0.16 -2.10 0.02 0.00 0.04 0.00 0.00 34.50 32.30 3e7n s PRO 49 CO -0.07 -0.79 1.07 -1.54 0.04 0.00 0.00 177.00 175.70 3e7n s SER 50 N -4.28 5.24 0.00 6.66 1.04 -1.16 -0.38 113.70 120.81 3e7n s SER 50 Ca 0.56 1.54 0.00 0.00 0.48 0.00 0.00 55.95 58.52 3e7n s SER 50 Cb -0.11 -2.39 0.00 0.00 0.10 0.00 0.00 66.02 63.62 3e7n s SER 50 CO 0.51 -1.52 0.00 0.33 0.98 0.00 0.00 173.24 173.53 3e7n n PHE 51 N -3.17 0.00 0.00 5.02 7.35 -1.26 -2.37 117.46 123.02 3e7n n PHE 51 Ca 0.07 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.76 3e7n n PHE 51 Cb 0.54 -0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.37 3e7n n PHE 51 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 3e7n n GLN 53 N 0.42 0.00 -0.07 -4.13 6.02 -1.26 -1.22 117.38 117.13 3e7n n GLN 53 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.85 3e7n n GLN 53 Cb 0.00 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.20 3e7n n GLN 53 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3e7n h VAL 54 N 0.00 1.33 -0.53 5.09 2.07 -1.82 -1.52 116.25 120.86 3e7n h VAL 54 Ca 0.00 -1.47 0.01 0.00 0.82 0.00 0.00 66.70 66.06 3e7n h VAL 54 Cb 0.00 1.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 3e7n h VAL 54 CO 0.00 0.45 0.35 0.58 0.02 0.00 0.00 177.57 178.97 3e7n h VAL 55 N 0.24 1.13 0.03 2.57 2.07 -1.45 -1.20 116.25 119.64 3e7n h VAL 55 Ca 0.03 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.31 3e7n h VAL 55 Cb 0.84 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 3e7n h VAL 55 CO 0.06 0.13 -0.04 -0.78 0.02 0.00 0.00 177.57 176.96 3e7n h ASP 56 N 0.71 -0.11 -0.32 0.57 3.58 -1.80 -1.45 116.42 117.61 3e7n h ASP 56 Ca 0.20 0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.61 3e7n h ASP 56 Cb -0.07 0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.01 3e7n h ASP 56 CO -0.05 -0.07 0.01 0.58 -2.88 0.00 0.00 179.24 176.83 3e7n h VAL 57 N -0.09 1.25 -0.50 2.25 2.07 -1.09 -2.69 116.25 117.45 3e7n h VAL 57 Ca 0.01 -0.93 0.06 0.00 0.82 0.00 0.00 66.70 66.66 3e7n h VAL 57 Cb 0.10 1.24 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 3e7n h VAL 57 CO -0.03 0.30 0.20 0.58 0.02 0.00 0.00 177.57 178.65 3e7n h VAL 58 N 0.36 0.85 0.00 2.57 2.07 -1.14 -2.40 116.25 118.55 3e7n h VAL 58 Ca 0.09 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.48 3e7n h VAL 58 Cb 0.43 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 3e7n h VAL 58 CO 0.01 0.07 0.00 0.35 0.02 0.00 0.00 177.57 178.03 3e7n n THR 59 N -4.98 0.79 0.21 2.57 -2.24 -0.55 -2.08 114.28 108.01 3e7n n THR 59 Ca 0.05 0.19 0.09 0.00 -2.27 0.00 0.00 64.05 62.10 3e7n n THR 59 Cb 0.19 -0.92 0.45 0.00 -2.10 0.00 0.00 70.33 67.95 3e7n n THR 59 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3e7n h ARG 60 N 0.00 0.00 -1.07 -0.78 3.08 -1.11 -3.45 114.38 111.05 3e7n h ARG 60 Ca 0.00 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.41 3e7n h ARG 60 Cb 0.33 0.00 -0.34 0.00 0.08 0.00 0.00 29.97 30.04 3e7n h ARG 60 CO 0.00 0.27 0.27 0.39 -1.07 0.00 0.00 179.97 179.83 3e7n n GLU 61 N -3.50 3.03 -3.73 0.04 1.02 -0.88 -5.08 120.64 111.54 3e7n n GLU 61 Ca -0.00 -3.67 -0.24 0.00 -0.02 0.00 0.00 57.16 53.23 3e7n n GLU 61 Cb 0.43 -2.28 -0.17 0.00 -0.02 0.00 0.00 31.44 29.40 3e7n n GLU 61 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3e7n s GLN 63 N -3.77 0.46 -0.18 3.49 -1.52 -1.26 -5.06 119.66 111.83 3e7n s GLN 63 Ca 0.58 0.01 -0.05 0.00 -1.95 0.00 0.00 55.36 53.95 3e7n s GLN 63 Cb 0.46 -1.25 -0.03 0.00 -0.22 0.00 0.00 33.01 31.98 3e7n s GLN 63 CO -0.05 -0.42 0.00 0.08 -0.25 0.00 0.00 175.29 174.65 3e7n s VAL 64 N 1.99 4.18 -0.16 1.09 1.01 -1.25 -1.48 120.40 125.78 3e7n s VAL 64 Ca 0.03 -0.25 0.13 0.00 0.00 0.00 0.00 61.98 61.89 3e7n s VAL 64 Cb -0.14 -2.86 -0.18 0.00 0.00 0.00 0.00 36.38 33.20 3e7n s VAL 64 CO -0.06 0.46 0.34 -1.84 0.00 0.00 0.00 175.10 174.01 3e7n n GLU 65 N 3.74 1.03 -3.44 2.72 0.28 0.40 -4.68 120.64 120.70 3e7n n GLU 65 Ca -0.17 -0.09 -0.13 0.00 -0.16 0.00 0.00 57.16 56.62 3e7n n GLU 65 Cb 0.52 -1.25 -0.02 0.00 1.43 0.00 0.00 31.44 32.12 3e7n n GLU 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3e7n s ALA 66 N -2.70 -1.59 -0.00 -1.84 0.00 -1.17 -2.26 121.76 112.19 3e7n s ALA 66 Ca -0.02 0.55 0.01 0.00 0.00 0.00 0.00 51.96 52.49 3e7n s ALA 66 Cb 0.08 0.80 0.00 0.00 0.00 0.00 0.00 23.12 24.00 3e7n s ALA 66 CO 0.52 -0.73 -0.02 0.00 0.00 0.00 0.00 175.76 175.53 3e7n s ALA 67 N -3.51 0.22 -0.06 0.00 0.00 0.91 -0.59 121.76 118.74 3e7n s ALA 67 Ca -0.00 -0.09 0.06 0.00 0.00 0.00 0.00 51.96 51.93 3e7n s ALA 67 Cb -0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 3e7n s ALA 67 CO -0.11 0.04 -0.24 0.42 0.00 0.00 0.00 175.76 175.88 3e7n s ILE 68 N 0.03 2.19 0.14 0.00 1.01 0.11 -1.57 121.20 123.11 3e7n s ILE 68 Ca 0.00 -1.02 0.05 0.00 0.00 0.00 0.00 60.65 59.68 3e7n s ILE 68 Cb -0.02 -1.80 -0.04 0.00 0.01 0.00 0.00 42.46 40.61 3e7n s ILE 68 CO -0.00 0.57 -0.11 -0.76 0.00 0.00 0.00 174.94 174.64 3e7n s LEU 69 N -0.25 2.51 0.21 2.97 1.43 -0.34 -1.20 118.68 124.01 3e7n s LEU 69 Ca -0.01 -0.97 -0.30 0.00 -1.03 0.00 0.00 54.13 51.82 3e7n s LEU 69 Cb -0.13 -0.40 -0.08 0.00 0.03 0.00 0.00 46.19 45.61 3e7n s LEU 69 CO 0.03 -0.29 1.01 0.00 0.23 0.00 0.00 176.35 177.33 3e7n s ALA 70 N -3.06 3.34 0.39 4.21 0.00 -1.26 -1.51 121.76 123.87 3e7n s ALA 70 Ca 0.15 0.71 0.12 0.00 0.00 0.00 0.00 51.96 52.95 3e7n s ALA 70 Cb 0.01 -3.28 0.93 0.00 0.00 0.00 0.00 23.12 20.78 3e7n s ALA 70 CO 0.01 0.00 1.89 1.15 0.00 0.00 0.00 175.76 178.81 3e7n h THR 71 N 3.41 0.80 -0.09 0.00 2.02 -1.22 -2.27 112.91 115.56 3e7n h THR 71 Ca -0.45 -0.19 0.03 0.00 0.77 0.00 0.00 66.41 66.56 3e7n h THR 71 Cb 1.21 0.19 -0.00 0.00 -1.74 0.00 0.00 68.15 67.80 3e7n h THR 71 CO 0.69 0.10 0.14 -0.33 0.37 0.00 0.00 175.52 176.50 3e7n h GLU 72 N 0.56 0.00 -0.24 6.66 3.07 -1.92 -1.98 114.58 120.73 3e7n h GLU 72 Ca 0.42 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.25 3e7n h GLU 72 Cb 0.81 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.71 3e7n h GLU 72 CO -0.17 0.00 -0.01 0.97 -1.40 0.00 0.00 179.01 178.40 3e7n h ILE 73 N 0.00 1.15 0.05 3.13 2.10 -1.70 -1.97 117.51 120.29 3e7n h ILE 73 Ca 0.04 -0.61 0.02 0.00 1.08 0.00 0.00 64.86 65.39 3e7n h ILE 73 Cb 0.33 0.99 -0.03 0.00 -1.09 0.00 0.00 36.82 37.02 3e7n h ILE 73 CO -0.00 0.20 -0.18 0.11 -1.08 0.00 0.00 178.15 177.21 3e7n h LYS 74 N 0.34 -0.31 0.12 2.19 1.57 -1.56 -0.84 116.57 118.08 3e7n h LYS 74 Ca 0.08 0.02 -0.29 0.00 -1.87 0.00 0.00 60.65 58.59 3e7n h LYS 74 Cb 0.25 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 3e7n h LYS 74 CO 0.01 -0.21 -1.37 1.96 -0.57 0.00 0.00 179.45 179.27 3e7n h GLN 75 N -0.32 0.25 0.00 3.15 1.08 -1.74 -3.33 115.11 114.21 3e7n h GLN 75 Ca 0.04 -0.43 0.00 0.00 -1.45 0.00 0.00 58.65 56.81 3e7n h GLN 75 Cb 0.36 0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.95 3e7n h GLN 75 CO -0.13 1.15 -1.01 1.04 -0.95 0.00 0.00 178.83 178.93 3e7n n GLN 76 N -3.48 0.50 -2.77 1.46 6.02 -0.74 -4.50 117.38 113.86 3e7n n GLN 76 Ca -0.12 -0.02 -0.10 0.00 -0.01 0.00 0.00 57.00 56.76 3e7n n GLN 76 Cb 1.03 -1.43 0.06 0.00 1.02 0.00 0.00 30.24 30.92 3e7n n GLN 76 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3e7n n ASN 77 N -1.53 -0.33 -0.06 1.08 2.85 -0.33 -4.67 115.26 112.28 3e7n n ASN 77 Ca 0.03 -2.82 0.02 0.00 -0.11 0.00 0.00 54.58 51.70 3e7n n ASN 77 Cb 0.33 0.34 0.35 0.00 1.24 0.00 0.00 39.78 42.03 3e7n n ASN 77 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3e7n h PRO 78 N 2.66 0.66 -0.10 1.20 0.13 -1.65 -0.21 132.00 134.69 3e7n h PRO 78 Ca -0.13 -0.06 0.03 0.00 -0.87 0.00 0.00 66.00 64.97 3e7n h PRO 78 Cb 1.18 -0.14 -0.03 0.00 0.13 0.00 0.00 31.00 32.14 3e7n h PRO 78 CO 0.25 0.48 -0.10 0.37 -0.23 0.00 0.00 178.00 178.78 3e7n h GLN 79 N 0.67 -0.12 -0.35 0.86 5.75 -1.91 -0.08 115.11 119.92 3e7n h GLN 79 Ca 0.17 0.01 -0.15 0.00 -0.15 0.00 0.00 58.65 58.53 3e7n h GLN 79 Cb 0.02 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.59 3e7n h GLN 79 CO -0.03 -0.08 -0.36 1.25 -2.65 0.00 0.00 178.83 176.96 3e7n h LEU 80 N -0.12 0.93 -0.39 -2.39 5.85 -1.82 -2.14 115.31 115.23 3e7n h LEU 80 Ca 0.07 -0.47 0.08 0.00 0.84 0.00 0.00 57.88 58.40 3e7n h LEU 80 Cb 0.22 -0.26 -0.08 0.00 0.37 0.00 0.00 40.66 40.91 3e7n h LEU 80 CO -0.17 1.21 -0.13 -0.74 -0.34 0.00 0.00 178.44 178.27 3e7n h HIS 81 N 0.66 -0.29 0.10 1.25 2.76 -0.80 -0.90 115.15 117.94 3e7n h HIS 81 Ca 0.06 0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.26 3e7n h HIS 81 Cb 0.95 0.19 0.00 0.00 1.55 0.00 0.00 27.41 30.10 3e7n h HIS 81 CO 0.07 -0.20 -0.05 0.93 -1.30 0.00 0.00 177.93 177.37 3e7n h GLU 82 N -0.04 -0.14 -0.82 5.26 4.39 -0.88 -1.73 114.58 120.63 3e7n h GLU 82 Ca 0.19 0.01 0.12 0.00 0.34 0.00 0.00 59.36 60.02 3e7n h GLU 82 Cb 0.33 0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 28.95 3e7n h GLU 82 CO -0.43 -0.04 0.53 1.15 -1.16 0.00 0.00 179.01 179.07 3e7n h THR 83 N -0.20 0.88 -0.16 1.13 2.02 -1.00 0.01 112.91 115.59 3e7n h THR 83 Ca -0.01 -0.23 -0.08 0.00 0.77 0.00 0.00 66.41 66.86 3e7n h THR 83 Cb 0.16 0.16 -0.00 0.00 -1.74 0.00 0.00 68.15 66.73 3e7n h THR 83 CO 0.02 0.12 -0.19 0.25 0.37 0.00 0.00 175.52 176.09 3e7n h LEU 84 N 0.66 0.45 -0.83 2.58 5.85 -0.88 -1.62 115.31 121.52 3e7n h LEU 84 Ca 0.39 -0.50 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 3e7n h LEU 84 Cb 0.61 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 3e7n h LEU 84 CO -0.16 0.86 0.48 -0.07 -0.34 0.00 0.00 178.44 179.21 3e7n h LEU 85 N 0.06 1.02 -0.57 2.25 3.38 -0.30 0.86 115.31 122.01 3e7n h LEU 85 Ca 0.02 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3e7n h LEU 85 Cb 0.74 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 3e7n h LEU 85 CO 0.05 0.80 0.33 0.74 0.09 0.00 0.00 178.44 180.45 3e7n h THR 86 N 1.15 1.18 -0.47 0.22 2.02 -1.02 -0.80 112.91 115.20 3e7n h THR 86 Ca 0.30 -0.42 -0.03 0.00 0.77 0.00 0.00 66.41 67.03 3e7n h THR 86 Cb -0.01 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 3e7n h THR 86 CO -0.05 0.19 0.19 -0.74 0.37 0.00 0.00 175.52 175.47 3e7n h HIS 87 N 0.77 0.71 -0.28 3.16 -0.00 -0.70 -1.92 115.15 116.89 3e7n h HIS 87 Ca 0.20 -0.05 -0.03 0.00 -0.00 0.00 0.00 60.37 60.49 3e7n h HIS 87 Cb 0.01 -0.21 -0.02 0.00 -0.00 0.00 0.00 27.41 27.19 3e7n h HIS 87 CO -0.02 0.60 0.05 -0.07 -0.00 0.00 0.00 177.93 178.49 3e7n h LEU 88 N 0.61 0.37 -0.36 0.26 3.38 -0.68 0.37 115.31 119.25 3e7n h LEU 88 Ca 0.15 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 3e7n h LEU 88 Cb 0.19 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3e7n h LEU 88 CO -0.01 0.39 0.08 -0.08 0.09 0.00 0.00 178.44 178.91 3e7n h GLU 89 N 0.40 0.58 -0.24 1.13 4.81 -0.81 -1.52 114.58 118.92 3e7n h GLU 89 Ca 0.09 -0.14 -0.14 0.00 -0.13 0.00 0.00 59.36 59.04 3e7n h GLU 89 Cb 0.19 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 3e7n h GLU 89 CO -0.00 0.63 -0.42 1.96 -0.73 0.00 0.00 179.01 180.45 3e7n h GLN 90 N 0.43 0.58 -0.23 1.92 4.20 -0.86 -2.71 115.11 118.44 3e7n h GLN 90 Ca 0.11 -0.30 -0.01 0.00 0.06 0.00 0.00 58.65 58.51 3e7n h GLN 90 Cb 0.31 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 3e7n h GLN 90 CO 0.00 0.90 0.11 1.25 -0.67 0.00 0.00 178.83 180.41 3e7n h LEU 91 N 0.48 0.30 -1.25 1.46 5.85 -0.83 -1.01 115.31 120.31 3e7n h LEU 91 Ca 0.04 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 3e7n h LEU 91 Cb 0.93 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 3e7n h LEU 91 CO 0.08 0.35 0.17 0.06 -0.34 0.00 0.00 178.44 178.76 3e7n h GLN 92 N 0.24 0.68 0.01 1.25 3.07 -1.20 0.16 115.11 119.31 3e7n h GLN 92 Ca 0.08 -0.10 -0.00 0.00 0.09 0.00 0.00 58.65 58.71 3e7n h GLN 92 Cb 0.13 -0.12 0.00 0.00 0.08 0.00 0.00 27.48 27.57 3e7n h GLN 92 CO -0.01 0.58 -0.00 1.96 0.09 0.00 0.00 178.83 181.45 3e7n h GLN 93 N 0.67 -0.01 -0.60 0.06 4.20 -1.27 0.14 115.11 118.31 3e7n h GLN 93 Ca 0.16 0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.97 3e7n h GLN 93 Cb 0.17 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.88 3e7n h GLN 93 CO -0.01 0.23 0.20 0.45 -0.67 0.00 0.00 178.83 179.02 3e7n h HIS 94 N -0.25 0.34 0.00 2.96 3.86 -0.66 -2.52 115.15 118.89 3e7n h HIS 94 Ca -0.00 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.22 3e7n h HIS 94 Cb 0.24 -0.06 -0.00 0.00 1.06 0.00 0.00 27.41 28.65 3e7n h HIS 94 CO 0.00 0.07 -0.08 1.96 0.86 0.00 0.00 177.93 180.74 3e7n h GLN 95 N 0.36 0.00 -0.37 2.45 4.20 -0.51 -3.47 115.11 117.77 3e7n h GLN 95 Ca 0.30 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.95 3e7n h GLN 95 Cb 0.39 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 3e7n h GLN 95 CO -0.32 0.08 -0.07 0.41 -0.67 0.00 0.00 178.83 178.25 3e7n n GLY 96 N 0.46 0.33 0.00 3.46 0.00 0.40 -5.03 105.19 104.81 3e7n n GLY 96 Ca 0.02 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.24 3e7n n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3e7n n ASN 97 N 1.43 0.28 -3.86 1.61 6.94 -0.64 -5.04 115.26 115.98 3e7n n ASN 97 Ca -0.04 -0.79 -0.28 0.00 -0.02 0.00 0.00 54.58 53.46 3e7n n ASN 97 Cb 0.43 0.00 -0.17 0.00 -2.36 0.00 0.00 39.78 37.68 3e7n n ASN 97 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 3e7n s THR 98 N -1.62 0.98 -0.33 5.53 -1.32 -1.26 -4.40 115.64 113.22 3e7n s THR 98 Ca 0.00 -0.57 -0.26 0.00 -1.21 0.00 0.00 61.69 59.66 3e7n s THR 98 Cb 0.00 -1.20 0.01 0.00 -1.51 0.00 0.00 72.50 69.80 3e7n s THR 98 CO 0.00 0.09 0.92 -0.63 -2.21 0.00 0.00 174.62 172.79 3e7n s ILE 99 N 1.69 4.64 0.01 5.08 1.01 -1.26 -4.86 121.20 127.50 3e7n s ILE 99 Ca 0.01 1.37 -0.30 0.00 0.00 0.00 0.00 60.65 61.72 3e7n s ILE 99 Cb -0.15 -4.29 -0.04 0.00 0.01 0.00 0.00 42.46 37.99 3e7n s ILE 99 CO -0.07 -0.40 1.10 -0.75 0.00 0.00 0.00 174.94 174.81 3e7n s LYS 100 N 3.32 4.47 -0.11 2.79 2.20 -0.96 -4.87 119.74 126.58 3e7n s LYS 100 Ca 0.38 1.59 -0.01 0.00 -0.36 0.00 0.00 55.97 57.57 3e7n s LYS 100 Cb -0.13 -3.44 -0.03 0.00 -1.51 0.00 0.00 37.83 32.73 3e7n s LYS 100 CO 0.15 -0.21 -0.05 0.42 -0.36 0.00 0.00 175.35 175.29 3e7n s ILE 101 N 1.29 3.78 0.10 5.43 1.09 -1.26 -0.06 121.20 131.57 3e7n s ILE 101 Ca 0.55 -0.42 -0.02 0.00 -1.10 0.00 0.00 60.65 59.66 3e7n s ILE 101 Cb -0.25 -2.60 -0.04 0.00 -1.06 0.00 0.00 42.46 38.51 3e7n s ILE 101 CO 0.27 0.55 0.04 -0.94 -0.10 0.00 0.00 174.94 174.76 3e7n s SER 102 N -0.20 0.35 -0.02 3.58 1.04 -0.61 -4.98 113.70 112.87 3e7n s SER 102 Ca 0.03 -1.08 0.05 0.00 0.48 0.00 0.00 55.95 55.42 3e7n s SER 102 Cb -0.13 0.27 -0.01 0.00 0.10 0.00 0.00 66.02 66.25 3e7n s SER 102 CO 0.03 -0.69 -0.15 -0.31 0.98 0.00 0.00 173.24 173.09 3e7n s TYR 103 N -3.99 1.41 0.27 5.02 2.02 -1.26 -1.20 117.35 119.62 3e7n s TYR 103 Ca 0.16 -0.28 0.02 0.00 -0.37 0.00 0.00 57.07 56.60 3e7n s TYR 103 Cb 0.07 -0.91 -0.04 0.00 -0.40 0.00 0.00 41.96 40.68 3e7n s TYR 103 CO -0.03 -0.04 0.12 0.95 -1.57 0.00 0.00 175.55 174.98 3e7n s THR 104 N -0.30 0.40 0.69 -0.71 -4.23 -0.57 -4.87 115.64 106.04 3e7n s THR 104 Ca 0.05 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.40 3e7n s THR 104 Cb -0.07 -2.57 0.02 0.00 1.34 0.00 0.00 72.50 71.22 3e7n s THR 104 CO -0.00 0.00 1.20 0.42 -0.54 0.00 0.00 174.62 175.69 3e7n s THR 105 N -3.75 2.49 0.34 3.99 -4.23 -1.26 -0.70 115.64 112.52 3e7n s THR 105 Ca 0.37 0.25 0.02 0.00 -1.18 0.00 0.00 61.69 61.16 3e7n s THR 105 Cb 0.07 -2.88 0.27 0.00 1.34 0.00 0.00 72.50 71.30 3e7n s THR 105 CO 0.15 -0.11 1.99 -0.74 -0.54 0.00 0.00 174.62 175.36 3e7n h HIS 106 N 0.04 0.84 -0.60 3.99 2.76 -1.93 0.11 115.15 120.36 3e7n h HIS 106 Ca -0.48 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 57.75 3e7n h HIS 106 Cb 1.29 -0.28 -0.05 0.00 1.55 0.00 0.00 27.41 29.92 3e7n h HIS 106 CO 0.48 0.51 0.34 0.93 -1.30 0.00 0.00 177.93 178.88 3e7n h GLU 107 N 0.89 0.63 -0.22 5.26 3.07 -2.00 -0.72 114.58 121.49 3e7n h GLU 107 Ca 0.27 -0.04 -0.17 0.00 -0.50 0.00 0.00 59.36 58.92 3e7n h GLU 107 Cb -0.00 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 27.76 3e7n h GLU 107 CO -0.07 0.42 -0.55 0.37 -1.40 0.00 0.00 179.01 177.78 3e7n h GLN 108 N 0.65 0.66 -0.25 2.33 5.75 -1.64 -2.77 115.11 119.84 3e7n h GLN 108 Ca 0.26 -0.42 0.05 0.00 -0.15 0.00 0.00 58.65 58.39 3e7n h GLN 108 Cb 0.11 0.05 -0.05 0.00 1.07 0.00 0.00 27.48 28.66 3e7n h GLN 108 CO -0.15 1.04 -0.09 0.35 -2.65 0.00 0.00 178.83 177.33 3e7n h PHE 109 N 0.51 -0.22 -0.95 3.99 3.57 -0.40 -0.70 116.94 122.75 3e7n h PHE 109 Ca 0.01 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.59 3e7n h PHE 109 Cb 1.12 0.13 -0.06 0.00 2.79 0.00 0.00 35.95 39.94 3e7n h PHE 109 CO 0.05 -0.15 0.62 0.87 -2.23 0.00 0.00 178.31 177.47 3e7n h LYS 110 N -0.05 1.11 -0.41 1.11 1.57 -1.02 -1.39 116.57 117.49 3e7n h LYS 110 Ca 0.13 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 3e7n h LYS 110 Cb 0.24 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 3e7n h LYS 110 CO -0.29 0.73 0.18 0.87 -0.57 0.00 0.00 179.45 180.38 3e7n h LYS 111 N 1.14 0.60 -0.21 3.15 1.57 -1.11 -2.63 116.57 119.08 3e7n h LYS 111 Ca 0.39 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 59.06 3e7n h LYS 111 Cb 0.10 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3e7n h LYS 111 CO -0.14 0.54 0.06 -0.07 -0.57 0.00 0.00 179.45 179.27 3e7n h LEU 112 N 0.52 0.26 -2.40 2.94 3.38 -0.33 -1.70 115.31 117.97 3e7n h LEU 112 Ca 0.14 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3e7n h LEU 112 Cb 0.15 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 3e7n h LEU 112 CO -0.01 0.26 -0.03 0.71 0.09 0.00 0.00 178.44 179.46 3e7n h THR 113 N 0.29 0.40 0.00 0.22 1.35 -0.90 -1.21 112.91 113.07 3e7n h THR 113 Ca 0.07 -0.16 -0.00 0.00 -0.55 0.00 0.00 66.41 65.77 3e7n h THR 113 Cb 0.10 1.11 -0.00 0.00 -1.73 0.00 0.00 68.15 67.64 3e7n h THR 113 CO -0.00 0.03 -0.01 0.00 -0.25 0.00 0.00 175.52 175.28 3e7n h ALA 114 N 1.97 1.04 -0.02 6.62 0.00 -1.30 -2.75 119.26 124.82 3e7n h ALA 114 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3e7n h ALA 114 Cb 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3e7n h ALA 114 CO 0.00 0.01 -0.22 -0.25 0.00 0.00 0.00 179.25 178.79 3e7n n ASP 115 N -3.16 2.43 -4.86 0.00 8.00 -0.46 -4.60 116.55 113.91 3e7n n ASP 115 Ca -0.02 -1.72 -0.30 0.00 0.71 0.00 0.00 54.79 53.46 3e7n n ASP 115 Cb 0.16 0.22 0.06 0.00 -0.02 0.00 0.00 41.12 41.54 3e7n n ASP 115 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3e7n s SER 116 N -2.23 5.18 0.14 -2.24 1.04 -1.04 -4.74 113.70 109.80 3e7n s SER 116 Ca 0.24 1.21 0.02 0.00 0.48 0.00 0.00 55.95 57.90 3e7n s SER 116 Cb 0.19 -2.00 -0.10 0.00 0.10 0.00 0.00 66.02 64.21 3e7n s SER 116 CO 0.43 -1.52 1.31 1.56 0.98 0.00 0.00 173.24 176.00 3e7n h GLN 117 N -0.78 0.18 -2.22 4.02 1.08 -1.18 -3.44 115.11 112.77 3e7n h GLN 117 Ca -0.45 -0.23 -0.02 0.00 -1.45 0.00 0.00 58.65 56.49 3e7n h GLN 117 Cb 1.25 0.08 -0.17 0.00 -0.05 0.00 0.00 27.48 28.59 3e7n h GLN 117 CO 0.62 1.02 0.25 0.00 -0.95 0.00 0.00 178.83 179.77 3e7n s ALA 118 N -3.00 -1.75 -0.22 3.87 0.00 -1.26 -3.35 121.76 116.06 3e7n s ALA 118 Ca -0.02 1.12 -0.03 0.00 0.00 0.00 0.00 51.96 53.02 3e7n s ALA 118 Cb 0.09 0.17 -0.00 0.00 0.00 0.00 0.00 23.12 23.38 3e7n s ALA 118 CO 0.84 -0.48 -0.05 0.08 0.00 0.00 0.00 175.76 176.14 3e7n s VAL 119 N -1.94 3.25 -0.38 0.00 1.01 0.21 -1.42 120.40 121.12 3e7n s VAL 119 Ca -0.06 -0.58 -0.17 0.00 0.00 0.00 0.00 61.98 61.16 3e7n s VAL 119 Cb -0.00 -2.50 0.01 0.00 0.00 0.00 0.00 36.38 33.89 3e7n s VAL 119 CO 0.02 0.40 0.47 -0.63 0.00 0.00 0.00 175.10 175.36 3e7n s ILE 120 N 1.45 5.05 -0.21 2.22 1.01 0.87 -1.10 121.20 130.50 3e7n s ILE 120 Ca 0.05 0.03 -0.21 0.00 0.00 0.00 0.00 60.65 60.52 3e7n s ILE 120 Cb -0.14 -3.98 -0.02 0.00 0.01 0.00 0.00 42.46 38.32 3e7n s ILE 120 CO -0.04 -0.30 0.64 -0.60 0.00 0.00 0.00 174.94 174.64 3e7n s ARG 121 N 2.28 4.20 0.64 2.79 3.52 0.07 -1.32 118.95 131.13 3e7n s ARG 121 Ca 0.15 0.62 0.02 0.00 -0.13 0.00 0.00 55.73 56.39 3e7n s ARG 121 Cb -0.16 -3.59 0.09 0.00 -1.56 0.00 0.00 34.95 29.73 3e7n s ARG 121 CO 0.14 -0.28 0.89 -1.54 -0.81 0.00 0.00 175.30 173.70 3e7n s SER 122 N 1.24 4.76 0.00 -2.12 1.04 -0.16 -1.83 113.70 116.63 3e7n s SER 122 Ca 0.29 -0.33 0.11 0.00 0.48 0.00 0.00 55.95 56.50 3e7n s SER 122 Cb -0.16 -0.24 0.33 0.00 0.10 0.00 0.00 66.02 66.05 3e7n s SER 122 CO 0.10 -1.55 1.27 0.61 0.98 0.00 0.00 173.24 174.65 3e7n n GLY 123 N -2.58 0.46 3.73 7.32 0.00 0.49 -3.47 105.19 111.14 3e7n n GLY 123 Ca 0.13 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 3e7n n GLY 123 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3e7n s GLU 124 N -1.60 4.17 0.00 1.61 2.56 -1.24 -0.08 118.70 124.11 3e7n s GLU 124 Ca 0.22 2.49 0.12 0.00 0.00 0.00 0.00 54.97 57.80 3e7n s GLU 124 Cb 0.12 -3.08 -0.09 0.00 2.00 0.00 0.00 34.13 33.07 3e7n s GLU 124 CO 0.16 -0.62 0.58 0.00 -0.56 0.00 0.00 175.26 174.81 3e7n s SER 126 N -1.99 4.15 0.30 0.00 1.04 -1.26 -4.98 113.70 110.96 3e7n s SER 126 Ca 0.06 1.84 -0.29 0.00 0.48 0.00 0.00 55.95 58.04 3e7n s SER 126 Cb 0.09 -2.49 -0.09 0.00 0.10 0.00 0.00 66.02 63.63 3e7n s SER 126 CO 0.45 -2.27 1.11 -2.84 0.98 0.00 0.00 173.24 170.67 3e7n s PRO 127 N -4.87 4.56 -1.45 4.02 0.02 -1.26 -3.96 135.00 132.06 3e7n s PRO 127 Ca 0.62 1.79 -0.04 0.00 0.02 0.00 0.00 61.00 63.39 3e7n s PRO 127 Cb -0.18 -3.10 0.02 0.00 0.02 0.00 0.00 34.50 31.26 3e7n s PRO 127 CO 0.56 0.14 0.40 0.66 -0.33 0.00 0.00 177.00 178.43 3e7n n TYR 128 N 1.00 -1.70 -1.89 6.54 4.01 -1.26 -4.56 117.16 119.30 3e7n n TYR 128 Ca -0.00 0.35 -0.42 0.00 -0.16 0.00 0.00 57.90 57.67 3e7n n TYR 128 Cb 0.45 -3.77 -0.00 0.00 -0.31 0.00 0.00 39.34 35.71 3e7n n TYR 128 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3e7n n ALA 129 N -3.12 5.84 -3.25 -0.72 0.00 -1.25 -4.74 120.51 113.27 3e7n n ALA 129 Ca -0.11 -3.99 -0.15 0.00 0.00 0.00 0.00 53.44 49.18 3e7n n ALA 129 Cb 0.61 -3.29 -0.15 0.00 0.00 0.00 0.00 19.45 16.62 3e7n n ALA 129 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3e7n s ASN 130 N 2.11 0.35 -0.01 0.00 0.01 -1.26 -1.90 114.94 114.25 3e7n s ASN 130 Ca 0.48 -0.04 0.01 0.00 -0.71 0.00 0.00 52.86 52.60 3e7n s ASN 130 Cb 0.13 -0.12 0.00 0.00 0.41 0.00 0.00 41.25 41.68 3e7n s ASN 130 CO -0.06 -0.03 -0.02 0.54 -1.51 0.00 0.00 177.10 176.03 3e7n s VAL 131 N 0.45 0.16 -0.32 1.60 0.11 -0.10 -4.49 120.40 117.82 3e7n s VAL 131 Ca -0.04 -0.05 -0.14 0.00 -2.93 0.00 0.00 61.98 58.81 3e7n s VAL 131 Cb -0.07 -0.17 -0.02 0.00 -1.53 0.00 0.00 36.38 34.59 3e7n s VAL 131 CO -0.01 0.06 0.31 -0.63 -3.33 0.00 0.00 175.10 171.51 3e7n s ILE 132 N 0.16 5.22 -0.16 7.04 1.01 -0.35 -1.38 121.20 132.74 3e7n s ILE 132 Ca -0.01 0.11 -0.12 0.00 0.00 0.00 0.00 60.65 60.63 3e7n s ILE 132 Cb -0.03 -3.73 -0.05 0.00 0.01 0.00 0.00 42.46 38.66 3e7n s ILE 132 CO -0.00 0.03 0.23 -0.76 0.00 0.00 0.00 174.94 174.44 3e7n s LEU 133 N 1.93 4.26 -0.18 2.97 1.43 0.30 -0.71 118.68 128.67 3e7n s LEU 133 Ca 0.10 0.44 -0.05 0.00 -1.03 0.00 0.00 54.13 53.59 3e7n s LEU 133 Cb -0.16 -2.26 -0.03 0.00 0.03 0.00 0.00 46.19 43.76 3e7n s LEU 133 CO 0.11 0.17 0.01 0.00 0.23 0.00 0.00 176.35 176.87 3e7n s ALA 135 N 0.52 3.38 -0.19 0.00 0.00 -0.43 -0.46 121.76 124.58 3e7n s ALA 135 Ca -0.00 0.83 -0.31 0.00 0.00 0.00 0.00 51.96 52.48 3e7n s ALA 135 Cb -0.14 -3.39 0.15 0.00 0.00 0.00 0.00 23.12 19.74 3e7n s ALA 135 CO 0.02 -0.30 1.15 0.20 0.00 0.00 0.00 175.76 176.83 3e7n s GLY 136 N 0.32 -0.18 0.00 0.00 0.00 -0.55 -0.92 107.32 105.98 3e7n s GLY 136 Ca 0.53 2.07 0.00 0.00 0.00 0.00 0.00 44.72 47.32 3e7n s GLY 136 CO 0.33 0.86 0.25 3.33 0.00 0.00 0.00 173.10 177.87