#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 -5.18 120.51 119.27 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 -2.13 0.00 4.81 -1.26 -5.04 118.16 114.54 3e7n n LYS 2 Ca 0.00 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 57.05 3e7n n LYS 2 Cb 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.04 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 3.91 0.00 1.64 1.02 -1.26 -4.82 119.74 120.23 3e7n s LYS 3 Ca 0.00 2.03 0.00 0.00 0.02 0.00 0.00 55.97 58.02 3e7n s LYS 3 Cb 0.00 -2.66 0.00 0.00 -0.52 0.00 0.00 37.83 34.65 3e7n s LYS 3 CO 0.00 -0.50 0.00 0.41 -0.92 0.00 0.00 175.35 174.34 3e7n n GLY 4 N 0.64 -1.00 0.00 -3.33 0.00 -1.26 -4.84 105.19 95.40 3e7n n GLY 4 Ca 0.05 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.93 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 -3.00 2.61 -2.24 -1.26 -4.88 114.28 105.50 3e7n n THR 5 Ca 0.00 -0.42 -0.44 0.00 -2.27 0.00 0.00 64.05 60.92 3e7n n THR 5 Cb 0.00 1.07 -0.03 0.00 -2.10 0.00 0.00 70.33 69.27 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 -0.49 4.80 -0.14 2.28 1.01 -1.26 -4.87 120.40 121.74 3e7n s VAL 6 Ca 0.00 -1.44 0.20 0.00 0.00 0.00 0.00 61.98 60.74 3e7n s VAL 6 Cb 0.00 -4.68 -0.17 0.00 0.00 0.00 0.00 36.38 31.53 3e7n s VAL 6 CO 0.00 -1.38 0.70 0.18 0.00 0.00 0.00 175.10 174.60 3e7n n LEU 7 N 6.33 0.52 -4.74 3.92 4.77 -1.26 -4.83 117.00 121.71 3e7n n LEU 7 Ca 0.13 0.21 -0.42 0.00 -0.03 0.00 0.00 56.01 55.91 3e7n n LEU 7 Cb 0.47 0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 41.61 3e7n n LEU 7 CO 0.51 0.06 1.13 0.21 -1.33 0.00 0.00 177.39 177.97 3e7n s ASN 8 N -5.28 6.63 0.13 -1.43 2.47 -1.26 -4.91 114.94 111.28 3e7n s ASN 8 Ca -0.05 2.66 -0.13 0.00 0.42 0.00 0.00 52.86 55.77 3e7n s ASN 8 Cb 0.10 -2.62 -0.05 0.00 -1.45 0.00 0.00 41.25 37.23 3e7n s ASN 8 CO 0.84 -0.73 1.47 0.77 -3.72 0.00 0.00 177.10 175.72 3e7n h SER 9 N 5.43 0.88 -0.27 -4.21 4.64 -1.99 -1.82 113.55 116.21 3e7n h SER 9 Ca -0.45 -0.44 -0.18 0.00 -0.47 0.00 0.00 61.79 60.24 3e7n h SER 9 Cb 1.21 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 63.06 3e7n h SER 9 CO 0.81 1.14 -0.53 -0.33 -0.87 0.00 0.00 176.83 177.04 3e7n h GLU 10 N 0.63 0.86 -0.51 4.77 4.39 -1.99 -1.67 114.58 121.07 3e7n h GLU 10 Ca 0.07 -0.54 -0.03 0.00 0.34 0.00 0.00 59.36 59.20 3e7n h GLU 10 Cb 0.85 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.54 3e7n h GLU 10 CO 0.07 1.17 0.22 0.82 -1.16 0.00 0.00 179.01 180.14 3e7n h ILE 11 N 0.66 1.21 -0.50 3.13 2.04 -1.96 -1.32 117.51 120.77 3e7n h ILE 11 Ca 0.02 -0.63 0.03 0.00 1.00 0.00 0.00 64.86 65.28 3e7n h ILE 11 Cb 1.14 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 37.85 3e7n h ILE 11 CO 0.12 0.24 0.29 0.28 0.00 0.00 0.00 178.15 179.08 3e7n h SER 12 N 0.68 0.47 0.10 1.72 0.02 -1.27 -1.10 113.55 114.18 3e7n h SER 12 Ca 0.17 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.13 3e7n h SER 12 Cb 0.17 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.62 3e7n h SER 12 CO -0.02 0.33 -0.05 -1.28 -1.14 0.00 0.00 176.83 174.67 3e7n h SER 13 N 0.58 -0.12 -0.26 3.07 0.87 -0.98 -1.74 113.55 114.97 3e7n h SER 13 Ca 0.21 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.64 3e7n h SER 13 Cb 0.04 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 3e7n h SER 13 CO -0.10 -0.08 -0.30 1.62 -0.53 0.00 0.00 176.83 177.44 3e7n h VAL 14 N -0.14 1.28 -0.74 2.23 3.04 -1.00 -2.63 116.25 118.29 3e7n h VAL 14 Ca -0.01 -1.44 -0.05 0.00 -1.01 0.00 0.00 66.70 64.19 3e7n h VAL 14 Cb 0.11 1.32 -0.03 0.00 -2.01 0.00 0.00 31.29 30.68 3e7n h VAL 14 CO 0.02 0.47 0.28 0.40 -1.01 0.00 0.00 177.57 177.74 3e7n h ILE 15 N 0.65 1.26 0.00 3.17 2.04 -1.13 -1.56 117.51 121.93 3e7n h ILE 15 Ca 0.08 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 65.11 3e7n h ILE 15 Cb 0.83 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 3e7n h ILE 15 CO 0.07 0.33 0.00 0.77 0.00 0.00 0.00 178.15 179.32 3e7n h SER 16 N 1.08 0.00 0.36 1.72 4.64 -1.04 -2.28 113.55 118.03 3e7n h SER 16 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 3e7n h SER 16 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 3e7n h SER 16 CO -0.02 0.00 -0.35 0.54 -0.87 0.00 0.00 176.83 176.13 3e7n n ARG 17 N -2.98 0.47 -2.30 4.77 1.74 -0.61 -4.97 116.66 112.78 3e7n n ARG 17 Ca -0.00 -0.27 -0.40 0.00 -0.77 0.00 0.00 57.85 56.41 3e7n n ARG 17 Cb 0.23 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.15 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 -2.71 4.38 0.44 0.55 1.43 -0.86 -5.05 118.68 116.86 3e7n s LEU 18 Ca 0.19 2.42 0.06 0.00 -1.03 0.00 0.00 54.13 55.77 3e7n s LEU 18 Cb 0.19 -3.78 -0.04 0.00 0.03 0.00 0.00 46.19 42.58 3e7n s LEU 18 CO 0.59 -0.46 0.11 -0.83 0.23 0.00 0.00 176.35 176.00 3e7n s GLY 19 N -0.86 2.53 0.13 -3.19 0.00 -1.26 -5.05 107.32 99.63 3e7n s GLY 19 Ca 0.50 -1.75 -0.35 0.00 0.00 0.00 0.00 44.72 43.13 3e7n s GLY 19 CO 0.44 -2.03 1.46 1.57 0.00 0.00 0.00 173.10 174.54 3e7n n HIS 20 N -1.21 1.93 -0.22 1.90 -0.00 -1.26 -1.37 115.22 114.99 3e7n n HIS 20 Ca -0.06 0.44 0.00 0.00 0.46 0.00 0.00 57.72 58.56 3e7n n HIS 20 Cb 0.66 -2.45 0.00 0.00 -0.12 0.00 0.00 29.99 28.08 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 2.94 0.00 -1.85 3.57 -2.24 0.30 -4.98 114.28 112.01 3e7n n THR 21 Ca 0.17 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.58 3e7n n THR 21 Cb 0.25 -0.02 0.05 0.00 -2.10 0.00 0.00 70.33 68.51 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 -3.47 5.00 0.21 3.42 1.01 -0.47 -4.66 116.67 117.71 3e7n s ASP 22 Ca 0.00 2.58 0.10 0.00 0.71 0.00 0.00 52.55 55.95 3e7n s ASP 22 Cb 0.00 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.27 3e7n s ASP 22 CO 0.00 -1.74 -0.16 0.42 0.21 0.00 0.00 175.17 173.91 3e7n s THR 23 N -1.43 2.78 -0.03 -1.27 -4.23 -1.26 -1.17 115.64 109.03 3e7n s THR 23 Ca 0.78 -1.96 0.01 0.00 -1.18 0.00 0.00 61.69 59.33 3e7n s THR 23 Cb -0.36 -2.39 0.01 0.00 1.34 0.00 0.00 72.50 71.10 3e7n s THR 23 CO 0.40 -0.19 -0.05 -0.22 -0.54 0.00 0.00 174.62 174.02 3e7n s LEU 24 N -2.99 1.58 -0.10 4.79 2.96 -0.49 -0.90 118.68 123.54 3e7n s LEU 24 Ca 0.25 -0.11 -0.02 0.00 -0.22 0.00 0.00 54.13 54.03 3e7n s LEU 24 Cb -0.07 -0.37 -0.03 0.00 0.50 0.00 0.00 46.19 46.21 3e7n s LEU 24 CO 0.14 -0.01 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.44 3e7n s VAL 25 N 0.51 4.07 -0.18 1.68 1.01 -0.46 -0.51 120.40 126.52 3e7n s VAL 25 Ca -0.06 -0.33 -0.01 0.00 0.00 0.00 0.00 61.98 61.58 3e7n s VAL 25 Cb -0.10 -2.72 -0.00 0.00 0.00 0.00 0.00 36.38 33.56 3e7n s VAL 25 CO -0.00 0.57 -0.12 -0.69 0.00 0.00 0.00 175.10 174.86 3e7n s VAL 26 N -0.51 2.87 0.34 2.92 1.01 -0.47 0.34 120.40 126.91 3e7n s VAL 26 Ca 0.08 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.42 3e7n s VAL 26 Cb -0.12 -2.25 -0.07 0.00 0.00 0.00 0.00 36.38 33.94 3e7n s VAL 26 CO 0.02 0.49 0.05 0.00 0.00 0.00 0.00 175.10 175.66 3e7n s ASP 28 N -3.52 4.07 0.46 0.00 1.47 -0.70 -1.32 116.67 117.13 3e7n s ASP 28 Ca 0.36 -0.04 0.31 0.00 1.18 0.00 0.00 52.55 54.36 3e7n s ASP 28 Cb 0.09 -0.29 1.48 0.00 -0.34 0.00 0.00 42.92 43.86 3e7n s ASP 28 CO 0.16 -2.07 1.94 0.00 0.68 0.00 0.00 175.17 175.88 3e7n h ALA 29 N -0.86 1.00 -0.01 2.11 0.00 -0.97 -3.02 119.26 117.50 3e7n h ALA 29 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3e7n h ALA 29 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3e7n h ALA 29 CO 0.43 0.00 -0.18 0.41 0.00 0.00 0.00 179.25 179.91 3e7n n GLY 30 N -0.49 0.04 3.73 0.00 0.00 -1.26 -5.01 105.19 102.20 3e7n n GLY 30 Ca -0.00 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.69 4.45 0.48 0.99 2.96 -1.14 -5.01 118.68 119.72 3e7n s LEU 31 Ca 0.15 2.13 -0.21 0.00 -0.22 0.00 0.00 54.13 55.98 3e7n s LEU 31 Cb 0.13 -3.60 -0.08 0.00 0.50 0.00 0.00 46.19 43.14 3e7n s LEU 31 CO 0.30 -0.33 1.08 -2.16 -1.32 0.00 0.00 176.35 173.92 3e7n s PRO 32 N -0.03 3.75 -0.22 0.98 0.04 -1.26 -4.99 135.00 133.26 3e7n s PRO 32 Ca 0.53 1.50 0.02 0.00 0.04 0.00 0.00 61.00 63.08 3e7n s PRO 32 Cb -0.31 -2.18 0.04 0.00 0.04 0.00 0.00 34.50 32.09 3e7n s PRO 32 CO 0.34 -0.50 -0.15 0.42 0.04 0.00 0.00 177.00 177.15 3e7n s ILE 33 N -1.82 2.17 0.55 0.56 1.01 -1.26 -5.10 121.20 117.31 3e7n s ILE 33 Ca 0.67 -1.26 -0.21 0.00 0.00 0.00 0.00 60.65 59.85 3e7n s ILE 33 Cb -0.21 -2.10 -0.05 0.00 0.01 0.00 0.00 42.46 40.12 3e7n s ILE 33 CO 0.25 0.26 1.26 -2.84 0.00 0.00 0.00 174.94 173.86 3e7n s PRO 34 N 1.21 3.19 0.00 2.79 0.02 -1.26 -4.92 135.00 136.03 3e7n s PRO 34 Ca -0.02 1.98 0.26 0.00 0.02 0.00 0.00 61.00 63.25 3e7n s PRO 34 Cb -0.16 -2.16 1.31 0.00 0.02 0.00 0.00 34.50 33.51 3e7n s PRO 34 CO -0.09 -1.07 1.87 0.27 -0.33 0.00 0.00 177.00 177.65 3e7n n ASN 35 N -1.14 0.00 0.00 2.53 6.94 -1.26 -2.38 115.26 119.95 3e7n n ASN 35 Ca 0.11 -0.11 0.13 0.00 -0.02 0.00 0.00 54.58 54.68 3e7n n ASN 35 Cb 0.47 -0.27 0.76 0.00 -2.36 0.00 0.00 39.78 38.38 3e7n n ASN 35 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 3e7n n SER 36 N -1.27 0.00 -4.20 0.53 3.41 -1.26 -4.84 113.62 105.99 3e7n n SER 36 Ca 0.13 -1.15 -0.18 0.00 -0.26 0.00 0.00 58.87 57.41 3e7n n SER 36 Cb 0.20 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.04 3e7n n SER 36 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3e7n s THR 37 N -2.00 1.16 0.30 6.66 2.01 -1.00 -4.91 115.64 117.86 3e7n s THR 37 Ca 0.38 -1.48 -0.29 0.00 0.31 0.00 0.00 61.69 60.61 3e7n s THR 37 Cb 0.18 -1.26 -0.10 0.00 0.01 0.00 0.00 72.50 71.33 3e7n s THR 37 CO 0.30 -0.33 1.14 0.00 -0.69 0.00 0.00 174.62 175.03 3e7n s ALA 38 N -1.70 3.40 -0.31 7.40 0.00 -1.22 -4.86 121.76 124.47 3e7n s ALA 38 Ca 0.03 0.96 -0.08 0.00 0.00 0.00 0.00 51.96 52.86 3e7n s ALA 38 Cb -0.07 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.70 3e7n s ALA 38 CO 0.02 -0.26 0.12 0.50 0.00 0.00 0.00 175.76 176.14 3e7n s ARG 39 N -1.58 3.16 -0.41 0.00 3.52 -1.26 -0.83 118.95 121.56 3e7n s ARG 39 Ca 0.46 -0.82 -0.05 0.00 -0.13 0.00 0.00 55.73 55.19 3e7n s ARG 39 Cb -0.33 -3.47 0.10 0.00 -1.56 0.00 0.00 34.95 29.69 3e7n s ARG 39 CO 0.43 -0.45 0.22 0.42 -0.81 0.00 0.00 175.30 175.10 3e7n s ILE 40 N 1.54 3.62 0.27 4.11 1.01 -0.21 -4.97 121.20 126.57 3e7n s ILE 40 Ca 0.03 -1.78 -0.02 0.00 0.00 0.00 0.00 60.65 58.88 3e7n s ILE 40 Cb -0.17 -3.35 -0.04 0.00 0.01 0.00 0.00 42.46 38.90 3e7n s ILE 40 CO 0.04 -0.59 0.50 -0.62 0.00 0.00 0.00 174.94 174.27 3e7n s ASP 41 N 1.96 6.39 0.30 3.58 -1.08 -1.26 -1.03 116.67 125.53 3e7n s ASP 41 Ca 0.05 0.55 0.00 0.00 -0.52 0.00 0.00 52.55 52.63 3e7n s ASP 41 Cb -0.23 -2.07 0.00 0.00 -1.46 0.00 0.00 42.92 39.16 3e7n s ASP 41 CO -0.02 -0.17 0.00 0.00 0.52 0.00 0.00 175.17 175.50 3e7n n ALA 43 N -1.04 -2.04 -0.13 3.66 0.00 -0.85 -4.95 120.51 115.17 3e7n n ALA 43 Ca -0.03 0.48 -0.24 0.00 0.00 0.00 0.00 53.44 53.65 3e7n n ALA 43 Cb 0.54 -1.46 -0.08 0.00 0.00 0.00 0.00 19.45 18.45 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 1.24 1.95 -3.85 0.00 7.94 -0.31 -4.94 117.00 119.03 3e7n n LEU 44 Ca 0.00 0.34 -0.09 0.00 -1.11 0.00 0.00 56.01 55.15 3e7n n LEU 44 Cb 0.00 -0.80 0.00 0.00 0.53 0.00 0.00 43.42 43.16 3e7n n LEU 44 CO 0.00 0.33 0.47 0.28 -1.11 0.00 0.00 177.39 177.37 3e7n s THR 45 N -2.62 0.00 -0.25 1.96 -1.32 -0.99 -5.04 115.64 107.37 3e7n s THR 45 Ca -0.36 -1.05 -0.40 0.00 -1.21 0.00 0.00 61.69 58.67 3e7n s THR 45 Cb 0.12 -2.56 -0.16 0.00 -1.51 0.00 0.00 72.50 68.40 3e7n s THR 45 CO 0.47 0.00 1.72 0.00 -2.21 0.00 0.00 174.62 174.60 3e7n n GLN 46 N -0.50 1.15 -0.95 7.08 3.00 -1.26 -0.96 117.38 124.94 3e7n n GLN 46 Ca -0.06 0.42 0.00 0.00 -0.01 0.00 0.00 57.00 57.35 3e7n n GLN 46 Cb 0.60 -2.10 0.00 0.00 0.00 0.00 0.00 30.24 28.74 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 4.08 0.75 2.85 1.08 0.00 0.97 -4.99 105.19 109.93 3e7n n GLY 47 Ca 0.26 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.15 0.87 0.69 1.61 1.01 -0.13 -2.92 120.40 118.37 3e7n s VAL 48 Ca 0.00 -0.42 -0.11 0.00 0.00 0.00 0.00 61.98 61.44 3e7n s VAL 48 Cb 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 36.38 35.32 3e7n s VAL 48 CO 0.00 0.14 1.07 -2.16 0.00 0.00 0.00 175.10 174.15 3e7n s PRO 49 N 1.74 3.00 0.72 2.72 0.04 -1.26 -1.17 135.00 140.80 3e7n s PRO 49 Ca 0.02 0.60 -0.11 0.00 0.04 0.00 0.00 61.00 61.55 3e7n s PRO 49 Cb -0.15 -2.03 0.02 0.00 0.04 0.00 0.00 34.50 32.39 3e7n s PRO 49 CO -0.07 -0.96 1.07 -1.54 0.04 0.00 0.00 177.00 175.54 3e7n s SER 50 N -4.22 5.22 0.00 6.66 1.04 -1.15 -0.50 113.70 120.75 3e7n s SER 50 Ca 0.57 1.43 0.00 0.00 0.48 0.00 0.00 55.95 58.44 3e7n s SER 50 Cb -0.12 -2.28 0.00 0.00 0.10 0.00 0.00 66.02 63.73 3e7n s SER 50 CO 0.53 -1.52 0.00 0.33 0.98 0.00 0.00 173.24 173.56 3e7n n PHE 51 N -3.16 0.00 0.00 5.02 7.35 -1.26 -2.50 117.46 122.91 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 0.55 -0.01 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 0.44 0.00 -0.01 -4.13 6.02 -1.26 -1.13 117.38 117.31 3e7n n GLN 53 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.86 3e7n n GLN 53 Cb 0.00 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.16 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 1.38 -0.53 5.09 2.07 -1.85 -1.68 116.25 120.73 3e7n h VAL 54 Ca 0.00 -1.10 0.07 0.00 0.82 0.00 0.00 66.70 66.48 3e7n h VAL 54 Cb 0.00 2.12 -0.06 0.00 -1.52 0.00 0.00 31.29 31.84 3e7n h VAL 54 CO 0.00 0.29 0.22 0.58 0.02 0.00 0.00 177.57 178.67 3e7n h VAL 55 N -0.46 0.86 0.12 2.57 2.07 -1.41 0.35 116.25 120.34 3e7n h VAL 55 Ca 0.00 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.38 3e7n h VAL 55 Cb 0.47 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 3e7n h VAL 55 CO 0.00 0.08 -0.15 -0.78 0.02 0.00 0.00 177.57 176.74 3e7n h ASP 56 N 0.42 -0.40 -0.31 0.57 3.58 -1.79 -1.16 116.42 117.32 3e7n h ASP 56 Ca 0.25 0.04 -0.02 0.00 0.42 0.00 0.00 57.03 57.72 3e7n h ASP 56 Cb 0.24 0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.43 3e7n h ASP 56 CO -0.23 -0.22 0.10 0.58 -2.88 0.00 0.00 179.24 176.59 3e7n h VAL 57 N -0.31 1.20 -0.64 2.25 2.07 -0.65 -2.65 116.25 117.52 3e7n h VAL 57 Ca 0.01 -0.64 0.06 0.00 0.82 0.00 0.00 66.70 66.95 3e7n h VAL 57 Cb 0.31 1.04 -0.06 0.00 -1.52 0.00 0.00 31.29 31.06 3e7n h VAL 57 CO -0.06 0.22 0.34 0.58 0.02 0.00 0.00 177.57 178.66 3e7n h VAL 58 N 0.35 0.94 0.00 2.57 2.07 -0.84 -2.16 116.25 119.17 3e7n h VAL 58 Ca 0.10 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.41 3e7n h VAL 58 Cb 0.24 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 3e7n h VAL 58 CO -0.00 0.11 0.00 0.35 0.02 0.00 0.00 177.57 178.05 3e7n n THR 59 N -4.83 0.38 0.18 2.57 -2.24 -0.45 -2.01 114.28 107.88 3e7n n THR 59 Ca 0.08 0.10 0.04 0.00 -2.27 0.00 0.00 64.05 62.00 3e7n n THR 59 Cb 0.18 -0.73 0.33 0.00 -2.10 0.00 0.00 70.33 68.02 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 -1.04 -3.45 114.38 111.12 3e7n h ARG 60 Ca 0.00 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.40 3e7n h ARG 60 Cb 0.26 0.00 -0.34 0.00 0.08 0.00 0.00 29.97 29.97 3e7n h ARG 60 CO 0.00 0.41 0.29 0.39 -1.07 0.00 0.00 179.97 179.99 3e7n n GLU 61 N -3.69 3.02 -3.68 0.04 1.02 -0.85 -5.09 120.64 111.42 3e7n n GLU 61 Ca -0.01 -3.66 -0.24 0.00 -0.02 0.00 0.00 57.16 53.24 3e7n n GLU 61 Cb 0.50 -2.28 -0.17 0.00 -0.02 0.00 0.00 31.44 29.46 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 0.20 -0.17 3.49 -1.52 -1.26 -5.05 119.66 111.57 3e7n s GLN 63 Ca 0.58 0.06 -0.05 0.00 -1.95 0.00 0.00 55.36 54.00 3e7n s GLN 63 Cb 0.47 -1.27 -0.03 0.00 -0.22 0.00 0.00 33.01 31.95 3e7n s GLN 63 CO -0.05 -0.49 0.01 0.08 -0.25 0.00 0.00 175.29 174.59 3e7n s VAL 64 N 2.08 4.27 -0.11 1.09 1.01 -1.24 -1.31 120.40 126.19 3e7n s VAL 64 Ca 0.03 -0.22 0.11 0.00 0.00 0.00 0.00 61.98 61.91 3e7n s VAL 64 Cb -0.14 -2.90 -0.17 0.00 0.00 0.00 0.00 36.38 33.17 3e7n s VAL 64 CO -0.06 0.48 0.29 -1.84 0.00 0.00 0.00 175.10 173.97 3e7n n GLU 65 N 3.54 0.89 -3.51 2.72 0.28 0.26 -4.68 120.64 120.13 3e7n n GLU 65 Ca -0.17 -0.09 -0.12 0.00 -0.16 0.00 0.00 57.16 56.62 3e7n n GLU 65 Cb 0.52 -1.23 -0.04 0.00 1.43 0.00 0.00 31.44 32.13 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 -2.65 -1.38 -0.01 -1.84 0.00 -1.20 -2.26 121.76 112.41 3e7n s ALA 66 Ca -0.03 0.43 0.01 0.00 0.00 0.00 0.00 51.96 52.37 3e7n s ALA 66 Cb 0.07 0.67 0.00 0.00 0.00 0.00 0.00 23.12 23.87 3e7n s ALA 66 CO 0.47 -0.65 -0.03 0.00 0.00 0.00 0.00 175.76 175.55 3e7n s ALA 67 N -3.31 0.29 -0.08 0.00 0.00 0.10 -1.03 121.76 117.73 3e7n s ALA 67 Ca -0.01 -0.07 0.03 0.00 0.00 0.00 0.00 51.96 51.91 3e7n s ALA 67 Cb -0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 3e7n s ALA 67 CO -0.09 0.04 -0.17 0.42 0.00 0.00 0.00 175.76 175.96 3e7n s ILE 68 N 0.19 2.74 0.15 0.00 1.01 0.40 -1.71 121.20 123.97 3e7n s ILE 68 Ca -0.02 -0.81 0.05 0.00 0.00 0.00 0.00 60.65 59.88 3e7n s ILE 68 Cb -0.04 -2.08 -0.04 0.00 0.01 0.00 0.00 42.46 40.30 3e7n s ILE 68 CO -0.00 0.56 -0.12 -0.76 0.00 0.00 0.00 174.94 174.61 3e7n s LEU 69 N -0.13 2.49 0.16 2.97 1.43 -0.44 -1.32 118.68 123.84 3e7n s LEU 69 Ca -0.02 -0.93 -0.30 0.00 -1.03 0.00 0.00 54.13 51.84 3e7n s LEU 69 Cb -0.14 -0.47 -0.07 0.00 0.03 0.00 0.00 46.19 45.54 3e7n s LEU 69 CO 0.04 -0.24 1.11 0.00 0.23 0.00 0.00 176.35 177.49 3e7n s ALA 70 N -2.82 3.37 0.51 4.21 0.00 -1.26 -1.30 121.76 124.48 3e7n s ALA 70 Ca 0.14 0.81 0.25 0.00 0.00 0.00 0.00 51.96 53.16 3e7n s ALA 70 Cb -0.01 -3.36 1.35 0.00 0.00 0.00 0.00 23.12 21.10 3e7n s ALA 70 CO 0.02 -0.23 1.95 1.15 0.00 0.00 0.00 175.76 178.66 3e7n h THR 71 N 3.84 0.70 -0.07 0.00 2.02 -0.90 -1.61 112.91 116.88 3e7n h THR 71 Ca -0.44 -0.03 0.02 0.00 0.77 0.00 0.00 66.41 66.73 3e7n h THR 71 Cb 1.21 0.61 -0.00 0.00 -1.74 0.00 0.00 68.15 68.23 3e7n h THR 71 CO 0.73 0.02 0.09 -0.33 0.37 0.00 0.00 175.52 176.40 3e7n h GLU 72 N 0.08 0.00 -0.10 6.66 3.07 -1.92 -2.40 114.58 119.97 3e7n h GLU 72 Ca 0.32 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.15 3e7n h GLU 72 Cb 1.15 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.05 3e7n h GLU 72 CO -0.03 0.00 -0.05 0.97 -1.40 0.00 0.00 179.01 178.50 3e7n h ILE 73 N 0.00 1.11 0.06 3.13 2.10 -1.59 -2.19 117.51 120.13 3e7n h ILE 73 Ca 0.04 -0.44 -0.00 0.00 1.08 0.00 0.00 64.86 65.53 3e7n h ILE 73 Cb 0.21 1.09 0.00 0.00 -1.09 0.00 0.00 36.82 37.03 3e7n h ILE 73 CO -0.00 0.14 -0.03 0.11 -1.08 0.00 0.00 178.15 177.29 3e7n h LYS 74 N 0.15 -0.08 0.08 2.19 1.57 -1.64 -1.05 116.57 117.80 3e7n h LYS 74 Ca 0.03 0.01 -0.29 0.00 -1.87 0.00 0.00 60.65 58.53 3e7n h LYS 74 Cb 0.20 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 3e7n h LYS 74 CO 0.01 -0.04 -1.47 1.96 -0.57 0.00 0.00 179.45 179.34 3e7n h GLN 75 N -0.09 0.16 -0.01 3.15 1.08 -1.74 -3.34 115.11 114.33 3e7n h GLN 75 Ca -0.01 -0.27 0.00 0.00 -1.45 0.00 0.00 58.65 56.92 3e7n h GLN 75 Cb 0.07 0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.60 3e7n h GLN 75 CO 0.01 0.99 -0.76 1.04 -0.95 0.00 0.00 178.83 179.16 3e7n n GLN 76 N -3.36 0.77 -2.85 1.46 6.02 -0.83 -4.52 117.38 114.07 3e7n n GLN 76 Ca -0.14 -0.34 -0.11 0.00 -0.01 0.00 0.00 57.00 56.40 3e7n n GLN 76 Cb 1.02 -1.43 0.05 0.00 1.02 0.00 0.00 30.24 30.91 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 -0.96 -1.07 -0.14 1.08 2.85 -0.40 -4.67 115.26 111.96 3e7n n ASN 77 Ca 0.05 -3.26 -0.01 0.00 -0.11 0.00 0.00 54.58 51.25 3e7n n ASN 77 Cb 0.35 0.88 0.23 0.00 1.24 0.00 0.00 39.78 42.48 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 2.86 0.83 -0.26 1.20 0.13 -1.67 -0.20 132.00 134.90 3e7n h PRO 78 Ca -0.07 -0.13 0.01 0.00 -0.87 0.00 0.00 66.00 64.95 3e7n h PRO 78 Cb 1.10 -0.15 -0.02 0.00 0.13 0.00 0.00 31.00 32.06 3e7n h PRO 78 CO 0.24 0.69 0.14 0.37 -0.23 0.00 0.00 178.00 179.20 3e7n h GLN 79 N 0.82 0.28 -0.34 0.86 4.15 -1.91 -0.21 115.11 118.75 3e7n h GLN 79 Ca 0.20 -0.02 -0.15 0.00 0.77 0.00 0.00 58.65 59.45 3e7n h GLN 79 Cb 0.17 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 27.79 3e7n h GLN 79 CO -0.02 0.19 -0.38 1.25 -1.93 0.00 0.00 178.83 177.94 3e7n h LEU 80 N 0.29 0.93 -0.38 -2.39 5.85 -1.86 -2.11 115.31 115.63 3e7n h LEU 80 Ca 0.10 -0.48 0.08 0.00 0.84 0.00 0.00 57.88 58.42 3e7n h LEU 80 Cb 0.01 -0.26 -0.09 0.00 0.37 0.00 0.00 40.66 40.69 3e7n h LEU 80 CO -0.06 1.22 -0.25 -0.74 -0.34 0.00 0.00 178.44 178.27 3e7n h HIS 81 N 0.65 -0.67 0.07 1.25 2.76 -0.75 -0.80 115.15 117.66 3e7n h HIS 81 Ca 0.05 0.05 -0.00 0.00 -2.20 0.00 0.00 60.37 58.27 3e7n h HIS 81 Cb 0.97 0.35 0.00 0.00 1.55 0.00 0.00 27.41 30.28 3e7n h HIS 81 CO 0.07 -0.33 -0.03 0.93 -1.30 0.00 0.00 177.93 177.27 3e7n h GLU 82 N -0.19 -0.09 -0.98 5.26 4.39 -0.87 -1.29 114.58 120.80 3e7n h GLU 82 Ca 0.18 0.01 0.16 0.00 0.34 0.00 0.00 59.36 60.05 3e7n h GLU 82 Cb 0.48 0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 29.06 3e7n h GLU 82 CO -0.49 0.00 0.61 1.15 -1.16 0.00 0.00 179.01 179.12 3e7n h THR 83 N -0.16 0.80 -0.22 1.13 2.02 -0.98 0.22 112.91 115.73 3e7n h THR 83 Ca -0.01 -0.28 -0.09 0.00 0.77 0.00 0.00 66.41 66.81 3e7n h THR 83 Cb 0.13 -0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 66.46 3e7n h THR 83 CO 0.02 0.15 -0.21 0.25 0.37 0.00 0.00 175.52 176.09 3e7n h LEU 84 N 0.80 0.56 -0.63 2.58 5.85 -0.77 -2.05 115.31 121.65 3e7n h LEU 84 Ca 0.52 -0.47 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 3e7n h LEU 84 Cb 0.75 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 3e7n h LEU 84 CO -0.29 0.92 0.35 -0.07 -0.34 0.00 0.00 178.44 179.00 3e7n h LEU 85 N 0.21 0.79 -0.63 2.25 3.38 -0.02 0.36 115.31 121.64 3e7n h LEU 85 Ca 0.03 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 57.93 3e7n h LEU 85 Cb 0.76 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 3e7n h LEU 85 CO 0.05 0.65 0.41 0.74 0.09 0.00 0.00 178.44 180.38 3e7n h THR 86 N 0.86 1.12 -0.46 0.22 2.02 -0.99 -0.42 112.91 115.26 3e7n h THR 86 Ca 0.22 -0.28 -0.02 0.00 0.77 0.00 0.00 66.41 67.10 3e7n h THR 86 Cb 0.04 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 66.67 3e7n h THR 86 CO -0.04 0.15 0.20 -0.74 0.37 0.00 0.00 175.52 175.47 3e7n h HIS 87 N 0.81 0.69 -0.04 3.16 -0.00 -0.86 -1.58 115.15 117.32 3e7n h HIS 87 Ca 0.24 -0.04 -0.06 0.00 -0.00 0.00 0.00 60.37 60.51 3e7n h HIS 87 Cb -0.04 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 27.15 3e7n h HIS 87 CO -0.04 0.57 -0.28 -0.07 -0.00 0.00 0.00 177.93 178.11 3e7n h LEU 88 N 0.60 0.06 -0.56 0.26 3.38 -0.67 0.13 115.31 118.51 3e7n h LEU 88 Ca 0.16 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 3e7n h LEU 88 Cb 0.16 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3e7n h LEU 88 CO -0.02 0.34 0.20 -0.08 0.09 0.00 0.00 178.44 178.98 3e7n h GLU 89 N 0.06 0.86 -0.14 1.13 4.81 -0.56 -1.73 114.58 119.01 3e7n h GLU 89 Ca 0.01 -0.17 -0.18 0.00 -0.13 0.00 0.00 59.36 58.89 3e7n h GLU 89 Cb 0.53 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.77 3e7n h GLU 89 CO 0.04 0.76 -0.65 1.96 -0.73 0.00 0.00 179.01 180.39 3e7n h GLN 90 N 0.78 0.52 -0.38 1.92 4.20 -0.63 -2.87 115.11 118.65 3e7n h GLN 90 Ca 0.18 -0.37 -0.02 0.00 0.06 0.00 0.00 58.65 58.50 3e7n h GLN 90 Cb 0.24 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 3e7n h GLN 90 CO -0.01 0.99 0.15 1.25 -0.67 0.00 0.00 178.83 180.54 3e7n h LEU 91 N 0.38 0.53 -1.03 1.46 5.85 -0.87 -1.17 115.31 120.46 3e7n h LEU 91 Ca -0.01 -0.17 -0.08 0.00 0.84 0.00 0.00 57.88 58.46 3e7n h LEU 91 Cb 1.21 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 3e7n h LEU 91 CO 0.12 0.56 -0.12 0.06 -0.34 0.00 0.00 178.44 178.72 3e7n h GLN 92 N 0.47 0.56 -0.27 1.25 3.07 -1.30 0.17 115.11 119.05 3e7n h GLN 92 Ca 0.13 -0.17 -0.02 0.00 0.09 0.00 0.00 58.65 58.68 3e7n h GLN 92 Cb 0.20 -0.06 -0.01 0.00 0.08 0.00 0.00 27.48 27.69 3e7n h GLN 92 CO -0.01 0.67 0.11 1.96 0.09 0.00 0.00 178.83 181.65 3e7n h GLN 93 N 0.51 0.41 -0.24 0.06 4.20 -1.27 0.29 115.11 119.07 3e7n h GLN 93 Ca 0.09 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.67 3e7n h GLN 93 Cb 0.52 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 3e7n h GLN 93 CO 0.03 0.43 -0.10 0.45 -0.67 0.00 0.00 178.83 178.97 3e7n h HIS 94 N 0.29 0.40 0.00 2.96 3.86 -0.33 -2.63 115.15 119.70 3e7n h HIS 94 Ca 0.09 -0.05 -0.02 0.00 -1.16 0.00 0.00 60.37 59.23 3e7n h HIS 94 Cb 0.18 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 28.53 3e7n h HIS 94 CO -0.01 0.48 -0.17 1.96 0.86 0.00 0.00 177.93 181.05 3e7n h GLN 95 N 0.36 0.00 -0.31 2.45 4.20 -0.49 -3.48 115.11 117.85 3e7n h GLN 95 Ca 0.07 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.72 3e7n h GLN 95 Cb 0.41 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 3e7n h GLN 95 CO 0.02 0.11 -0.07 0.41 -0.67 0.00 0.00 178.83 178.63 3e7n n GLY 96 N 1.13 0.42 0.00 3.46 0.00 0.90 -4.98 105.19 106.12 3e7n n GLY 96 Ca 0.03 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 1.44 0.84 -3.91 1.61 6.94 -0.54 -5.00 115.26 116.63 3e7n n ASN 97 Ca -0.03 -0.89 -0.28 0.00 -0.02 0.00 0.00 54.58 53.35 3e7n n ASN 97 Cb 0.32 0.00 -0.17 0.00 -2.36 0.00 0.00 39.78 37.58 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 -1.43 1.12 -0.34 5.53 -1.32 -1.26 -4.37 115.64 113.57 3e7n s THR 98 Ca 0.00 -0.45 -0.25 0.00 -1.21 0.00 0.00 61.69 59.78 3e7n s THR 98 Cb 0.00 -1.18 0.01 0.00 -1.51 0.00 0.00 72.50 69.82 3e7n s THR 98 CO 0.00 0.30 0.86 -0.63 -2.21 0.00 0.00 174.62 172.94 3e7n s ILE 99 N 1.65 4.68 0.04 5.08 1.01 -1.26 -4.86 121.20 127.54 3e7n s ILE 99 Ca 0.03 1.17 -0.30 0.00 0.00 0.00 0.00 60.65 61.55 3e7n s ILE 99 Cb -0.14 -4.25 -0.05 0.00 0.01 0.00 0.00 42.46 38.04 3e7n s ILE 99 CO -0.08 -0.41 1.12 -0.75 0.00 0.00 0.00 174.94 174.82 3e7n s LYS 100 N 3.23 4.48 -0.10 2.79 2.20 -0.96 -4.87 119.74 126.51 3e7n s LYS 100 Ca 0.35 1.65 0.01 0.00 -0.36 0.00 0.00 55.97 57.62 3e7n s LYS 100 Cb -0.13 -3.38 -0.02 0.00 -1.51 0.00 0.00 37.83 32.79 3e7n s LYS 100 CO 0.16 -0.18 -0.13 0.42 -0.36 0.00 0.00 175.35 175.26 3e7n s ILE 101 N 1.00 3.12 0.10 5.43 1.09 -1.26 0.03 121.20 130.72 3e7n s ILE 101 Ca 0.56 -0.66 -0.02 0.00 -1.10 0.00 0.00 60.65 59.43 3e7n s ILE 101 Cb -0.27 -2.28 -0.03 0.00 -1.06 0.00 0.00 42.46 38.82 3e7n s ILE 101 CO 0.29 0.55 0.06 -0.94 -0.10 0.00 0.00 174.94 174.80 3e7n s SER 102 N -0.11 0.33 -0.04 3.58 1.04 -0.69 -4.98 113.70 112.83 3e7n s SER 102 Ca -0.01 -1.07 0.04 0.00 0.48 0.00 0.00 55.95 55.39 3e7n s SER 102 Cb -0.14 0.28 -0.00 0.00 0.10 0.00 0.00 66.02 66.26 3e7n s SER 102 CO 0.03 -0.70 -0.17 -0.31 0.98 0.00 0.00 173.24 173.08 3e7n s TYR 103 N -3.98 1.63 0.28 5.02 2.02 -1.26 -1.33 117.35 119.73 3e7n s TYR 103 Ca 0.16 -0.44 0.03 0.00 -0.37 0.00 0.00 57.07 56.46 3e7n s TYR 103 Cb 0.07 -1.10 -0.06 0.00 -0.40 0.00 0.00 41.96 40.48 3e7n s TYR 103 CO -0.03 -0.14 0.04 0.95 -1.57 0.00 0.00 175.55 174.80 3e7n s THR 104 N -0.03 1.03 0.65 -0.71 -4.23 -0.42 -4.86 115.64 107.08 3e7n s THR 104 Ca -0.02 -2.02 -0.18 0.00 -1.18 0.00 0.00 61.69 58.30 3e7n s THR 104 Cb -0.10 -2.59 -0.01 0.00 1.34 0.00 0.00 72.50 71.14 3e7n s THR 104 CO 0.02 -0.13 1.24 0.42 -0.54 0.00 0.00 174.62 175.63 3e7n s THR 105 N -3.42 2.31 0.29 3.99 -4.23 -1.26 -0.21 115.64 113.11 3e7n s THR 105 Ca 0.34 0.18 -0.00 0.00 -1.18 0.00 0.00 61.69 61.03 3e7n s THR 105 Cb 0.07 -3.00 0.28 0.00 1.34 0.00 0.00 72.50 71.20 3e7n s THR 105 CO 0.13 -0.05 1.90 -0.74 -0.54 0.00 0.00 174.62 175.32 3e7n h HIS 106 N 0.47 1.08 -0.66 3.99 2.76 -1.92 0.86 115.15 121.73 3e7n h HIS 106 Ca -0.50 0.03 0.05 0.00 -2.20 0.00 0.00 60.37 57.75 3e7n h HIS 106 Cb 1.31 -0.36 -0.05 0.00 1.55 0.00 0.00 27.41 29.87 3e7n h HIS 106 CO 0.44 0.57 0.38 0.93 -1.30 0.00 0.00 177.93 178.95 3e7n h GLU 107 N 1.07 0.69 -0.18 5.26 4.39 -2.00 -0.29 114.58 123.53 3e7n h GLU 107 Ca 0.40 -0.04 -0.16 0.00 0.34 0.00 0.00 59.36 59.90 3e7n h GLU 107 Cb 0.19 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 3e7n h GLU 107 CO -0.15 0.46 -0.56 0.37 -1.16 0.00 0.00 179.01 177.96 3e7n h GLN 108 N 0.72 0.54 -0.28 2.33 5.75 -1.67 -2.70 115.11 119.80 3e7n h GLN 108 Ca 0.29 -0.35 0.04 0.00 -0.15 0.00 0.00 58.65 58.48 3e7n h GLN 108 Cb 0.14 0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.69 3e7n h GLN 108 CO -0.16 0.96 0.03 0.35 -2.65 0.00 0.00 178.83 177.36 3e7n h PHE 109 N 0.41 0.04 -0.87 3.99 3.57 -0.20 -1.22 116.94 122.67 3e7n h PHE 109 Ca 0.00 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.58 3e7n h PHE 109 Cb 1.11 0.02 -0.06 0.00 2.79 0.00 0.00 35.95 39.81 3e7n h PHE 109 CO 0.05 -0.01 0.54 0.87 -2.23 0.00 0.00 178.31 177.53 3e7n h LYS 110 N 0.12 0.98 -0.61 1.11 1.57 -0.92 -1.33 116.57 117.49 3e7n h LYS 110 Ca 0.13 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 3e7n h LYS 110 Cb 0.16 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 3e7n h LYS 110 CO -0.20 0.65 0.33 0.87 -0.57 0.00 0.00 179.45 180.53 3e7n h LYS 111 N 1.01 0.85 -0.07 3.15 1.57 -1.11 -2.50 116.57 119.48 3e7n h LYS 111 Ca 0.37 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 59.02 3e7n h LYS 111 Cb 0.12 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 3e7n h LYS 111 CO -0.16 0.66 -0.09 -0.07 -0.57 0.00 0.00 179.45 179.22 3e7n h LEU 112 N 0.83 0.09 -2.15 2.94 3.38 -0.25 -1.77 115.31 118.38 3e7n h LEU 112 Ca 0.21 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 3e7n h LEU 112 Cb 0.05 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 3e7n h LEU 112 CO -0.03 0.20 -0.07 0.71 0.09 0.00 0.00 178.44 179.34 3e7n h THR 113 N 0.10 0.61 0.00 0.22 1.35 -0.81 -1.25 112.91 113.14 3e7n h THR 113 Ca 0.02 -0.28 -0.01 0.00 -0.55 0.00 0.00 66.41 65.60 3e7n h THR 113 Cb 0.22 1.17 -0.00 0.00 -1.73 0.00 0.00 68.15 67.82 3e7n h THR 113 CO 0.01 0.07 -0.03 0.00 -0.25 0.00 0.00 175.52 175.32 3e7n h ALA 114 N 1.93 1.25 -0.03 6.62 0.00 -1.31 -2.54 119.26 125.19 3e7n h ALA 114 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3e7n h ALA 114 Cb 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3e7n h ALA 114 CO 0.01 0.04 -0.01 -0.25 0.00 0.00 0.00 179.25 179.03 3e7n n ASP 115 N -3.48 2.61 -4.88 0.00 8.00 -0.47 -4.55 116.55 113.78 3e7n n ASP 115 Ca -0.02 -1.86 -0.30 0.00 0.71 0.00 0.00 54.79 53.31 3e7n n ASP 115 Cb 0.13 0.01 0.03 0.00 -0.02 0.00 0.00 41.12 41.27 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 -2.01 5.71 0.16 -2.24 1.04 -0.96 -4.74 113.70 110.67 3e7n s SER 116 Ca 0.30 1.19 0.05 0.00 0.48 0.00 0.00 55.95 57.97 3e7n s SER 116 Cb 0.20 -2.09 -0.04 0.00 0.10 0.00 0.00 66.02 64.20 3e7n s SER 116 CO 0.31 -1.17 1.37 1.56 0.98 0.00 0.00 173.24 176.29 3e7n h GLN 117 N -0.51 0.10 -2.36 4.02 1.08 -1.35 -3.44 115.11 112.65 3e7n h GLN 117 Ca -0.45 -0.12 -0.02 0.00 -1.45 0.00 0.00 58.65 56.61 3e7n h GLN 117 Cb 1.23 0.04 -0.16 0.00 -0.05 0.00 0.00 27.48 28.54 3e7n h GLN 117 CO 0.63 0.93 0.25 0.00 -0.95 0.00 0.00 178.83 179.69 3e7n s ALA 118 N -3.06 -1.72 -0.21 3.87 0.00 -1.26 -3.42 121.76 115.95 3e7n s ALA 118 Ca -0.01 1.00 -0.03 0.00 0.00 0.00 0.00 51.96 52.92 3e7n s ALA 118 Cb 0.10 0.31 -0.00 0.00 0.00 0.00 0.00 23.12 23.53 3e7n s ALA 118 CO 0.82 -0.54 -0.07 0.08 0.00 0.00 0.00 175.76 176.05 3e7n s VAL 119 N -2.29 3.16 -0.38 0.00 1.01 -0.01 -1.36 120.40 120.52 3e7n s VAL 119 Ca -0.05 -0.57 -0.15 0.00 0.00 0.00 0.00 61.98 61.21 3e7n s VAL 119 Cb -0.00 -2.42 0.01 0.00 0.00 0.00 0.00 36.38 33.97 3e7n s VAL 119 CO -0.01 0.45 0.35 -0.63 0.00 0.00 0.00 175.10 175.26 3e7n s ILE 120 N 1.37 5.19 -0.16 2.22 1.01 0.15 -1.05 121.20 129.93 3e7n s ILE 120 Ca 0.05 -0.31 -0.20 0.00 0.00 0.00 0.00 60.65 60.18 3e7n s ILE 120 Cb -0.14 -3.90 -0.03 0.00 0.01 0.00 0.00 42.46 38.40 3e7n s ILE 120 CO -0.04 -0.24 0.56 -0.60 0.00 0.00 0.00 174.94 174.62 3e7n s ARG 121 N 1.91 4.26 0.50 2.79 3.52 -0.19 -1.26 118.95 130.48 3e7n s ARG 121 Ca 0.09 0.53 0.08 0.00 -0.13 0.00 0.00 55.73 56.30 3e7n s ARG 121 Cb -0.18 -3.52 0.05 0.00 -1.56 0.00 0.00 34.95 29.74 3e7n s ARG 121 CO 0.12 -0.07 0.69 -1.54 -0.81 0.00 0.00 175.30 173.69 3e7n s SER 122 N 0.98 5.36 0.00 -2.12 1.04 -0.43 -2.00 113.70 116.53 3e7n s SER 122 Ca 0.27 -0.58 0.09 0.00 0.48 0.00 0.00 55.95 56.21 3e7n s SER 122 Cb -0.16 -0.24 0.27 0.00 0.10 0.00 0.00 66.02 65.98 3e7n s SER 122 CO 0.11 -1.06 1.21 0.61 0.98 0.00 0.00 173.24 175.09 3e7n n GLY 123 N -2.08 0.18 3.75 7.32 0.00 0.35 -3.19 105.19 111.52 3e7n n GLY 123 Ca 0.11 -0.28 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.67 4.20 0.00 1.61 2.56 -1.24 -0.02 118.70 124.14 3e7n s GLU 124 Ca 0.18 2.44 0.12 0.00 0.00 0.00 0.00 54.97 57.70 3e7n s GLU 124 Cb 0.09 -3.07 -0.06 0.00 2.00 0.00 0.00 34.13 33.10 3e7n s GLU 124 CO 0.12 -0.53 0.61 0.00 -0.56 0.00 0.00 175.26 174.90 3e7n s SER 126 N -1.77 4.82 0.28 0.00 1.04 -1.26 -4.99 113.70 111.82 3e7n s SER 126 Ca 0.07 1.70 -0.29 0.00 0.48 0.00 0.00 55.95 57.91 3e7n s SER 126 Cb 0.09 -2.48 -0.09 0.00 0.10 0.00 0.00 66.02 63.64 3e7n s SER 126 CO 0.37 -1.81 1.08 -2.84 0.98 0.00 0.00 173.24 171.02 3e7n s PRO 127 N -4.97 4.63 -1.80 4.02 0.02 -1.26 -3.94 135.00 131.69 3e7n s PRO 127 Ca 0.60 1.76 0.00 0.00 0.02 0.00 0.00 61.00 63.38 3e7n s PRO 127 Cb -0.16 -3.16 0.00 0.00 0.02 0.00 0.00 34.50 31.20 3e7n s PRO 127 CO 0.56 0.22 0.00 0.66 -0.33 0.00 0.00 177.00 178.11 3e7n n TYR 128 N 1.14 -0.88 -2.01 6.54 4.01 -1.26 -4.55 117.16 120.15 3e7n n TYR 128 Ca -0.01 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.31 3e7n n TYR 128 Cb 0.45 -3.82 0.00 0.00 -0.31 0.00 0.00 39.34 35.67 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 -1.51 5.41 -3.24 -0.72 0.00 -1.25 -4.76 120.51 114.44 3e7n n ALA 129 Ca -0.24 -4.06 -0.16 0.00 0.00 0.00 0.00 53.44 48.98 3e7n n ALA 129 Cb 0.68 -3.31 -0.15 0.00 0.00 0.00 0.00 19.45 16.67 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 2.27 0.45 0.01 0.00 0.01 -1.26 -1.72 114.94 114.69 3e7n s ASN 130 Ca 0.44 -0.05 0.01 0.00 -0.71 0.00 0.00 52.86 52.54 3e7n s ASN 130 Cb 0.12 -0.15 -0.01 0.00 0.41 0.00 0.00 41.25 41.62 3e7n s ASN 130 CO -0.05 -0.02 -0.02 0.54 -1.51 0.00 0.00 177.10 176.04 3e7n s VAL 131 N 0.44 0.15 -0.26 1.60 0.11 0.09 -4.52 120.40 118.02 3e7n s VAL 131 Ca -0.04 -0.30 -0.12 0.00 -2.93 0.00 0.00 61.98 58.59 3e7n s VAL 131 Cb -0.07 -0.17 -0.05 0.00 -1.53 0.00 0.00 36.38 34.55 3e7n s VAL 131 CO -0.01 -0.09 0.21 -0.63 -3.33 0.00 0.00 175.10 171.25 3e7n s ILE 132 N -0.40 5.31 -0.16 7.04 1.01 -0.43 -1.36 121.20 132.21 3e7n s ILE 132 Ca -0.03 0.26 -0.07 0.00 0.00 0.00 0.00 60.65 60.80 3e7n s ILE 132 Cb -0.03 -3.55 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 3e7n s ILE 132 CO -0.00 0.27 0.09 -0.76 0.00 0.00 0.00 174.94 174.54 3e7n s LEU 133 N 1.51 4.04 -0.14 2.97 1.43 0.34 -0.45 118.68 128.38 3e7n s LEU 133 Ca 0.09 0.23 -0.02 0.00 -1.03 0.00 0.00 54.13 53.40 3e7n s LEU 133 Cb -0.15 -2.01 -0.03 0.00 0.03 0.00 0.00 46.19 44.04 3e7n s LEU 133 CO 0.08 0.27 -0.05 0.00 0.23 0.00 0.00 176.35 176.88 3e7n s ALA 135 N 0.11 3.33 -0.23 0.00 0.00 -0.31 -0.58 121.76 124.08 3e7n s ALA 135 Ca -0.02 0.76 -0.32 0.00 0.00 0.00 0.00 51.96 52.38 3e7n s ALA 135 Cb -0.14 -3.38 0.16 0.00 0.00 0.00 0.00 23.12 19.76 3e7n s ALA 135 CO 0.03 -0.28 1.24 0.20 0.00 0.00 0.00 175.76 176.95 3e7n s GLY 136 N 0.54 -0.14 0.09 0.00 0.00 -0.43 -0.54 107.32 106.84 3e7n s GLY 136 Ca 0.53 2.16 0.05 0.00 0.00 0.00 0.00 44.72 47.45 3e7n s GLY 136 CO 0.31 0.84 -0.12 -1.34 0.00 0.00 0.00 173.10 172.79 3e7n s VAL 137 N -1.65 1.06 0.00 1.40 -7.23 -1.26 -3.72 120.40 108.99 3e7n s VAL 137 Ca 0.07 -1.48 0.00 0.00 -1.81 0.00 0.00 61.98 58.76 3e7n s VAL 137 Cb -0.01 -1.22 0.00 0.00 0.56 0.00 0.00 36.38 35.71 3e7n s VAL 137 CO -0.05 -0.39 0.00 0.41 -0.31 0.00 0.00 175.10 174.77