#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 -2.07 0.00 4.81 -1.26 -5.04 118.16 114.61 3e7n n LYS 2 Ca 0.00 0.00 -0.38 0.00 -0.87 0.00 0.00 58.31 57.06 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 3.66 0.00 1.64 1.02 -1.26 -4.81 119.74 119.99 3e7n s LYS 3 Ca 0.00 2.02 0.00 0.00 0.02 0.00 0.00 55.97 58.01 3e7n s LYS 3 Cb 0.00 -2.48 0.00 0.00 -0.52 0.00 0.00 37.83 34.83 3e7n s LYS 3 CO 0.00 -0.71 0.00 0.41 -0.92 0.00 0.00 175.35 174.13 3e7n n GLY 4 N 0.59 -1.36 0.00 -3.33 0.00 -1.26 -4.82 105.19 95.01 3e7n n GLY 4 Ca 0.07 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 44.01 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 -4.89 114.28 105.50 3e7n n THR 5 Ca 0.00 -0.35 -0.44 0.00 -2.27 0.00 0.00 64.05 60.98 3e7n n THR 5 Cb 0.00 1.13 -0.03 0.00 -2.10 0.00 0.00 70.33 69.34 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 -0.38 4.86 -0.14 2.28 1.01 -1.26 -4.87 120.40 121.89 3e7n s VAL 6 Ca 0.00 -1.61 0.19 0.00 0.00 0.00 0.00 61.98 60.56 3e7n s VAL 6 Cb 0.00 -4.70 -0.15 0.00 0.00 0.00 0.00 36.38 31.54 3e7n s VAL 6 CO 0.00 -1.39 0.75 0.18 0.00 0.00 0.00 175.10 174.64 3e7n n LEU 7 N 6.17 0.68 -4.74 3.92 4.77 -1.26 -4.82 117.00 121.70 3e7n n LEU 7 Ca 0.18 0.29 -0.41 0.00 -0.03 0.00 0.00 56.01 56.03 3e7n n LEU 7 Cb 0.48 0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.62 3e7n n LEU 7 CO 0.49 0.10 1.05 0.21 -1.33 0.00 0.00 177.39 177.91 3e7n s ASN 8 N -5.53 6.75 0.19 -1.43 3.84 -1.26 -4.93 114.94 112.57 3e7n s ASN 8 Ca -0.04 2.57 -0.06 0.00 0.21 0.00 0.00 52.86 55.55 3e7n s ASN 8 Cb 0.09 -2.62 0.10 0.00 -0.55 0.00 0.00 41.25 38.28 3e7n s ASN 8 CO 0.82 -0.62 1.55 0.77 -2.79 0.00 0.00 177.10 176.82 3e7n h SER 9 N 5.03 0.78 -0.21 -4.21 4.64 -1.99 -1.80 113.55 115.80 3e7n h SER 9 Ca -0.46 -0.35 -0.16 0.00 -0.47 0.00 0.00 61.79 60.36 3e7n h SER 9 Cb 1.22 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 3e7n h SER 9 CO 0.77 1.08 -0.49 -0.33 -0.87 0.00 0.00 176.83 176.98 3e7n h GLU 10 N 0.61 0.70 -0.37 4.77 4.39 -1.99 -1.75 114.58 120.94 3e7n h GLU 10 Ca 0.05 -0.47 -0.01 0.00 0.34 0.00 0.00 59.36 59.27 3e7n h GLU 10 Cb 0.93 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.63 3e7n h GLU 10 CO 0.08 1.09 0.19 0.82 -1.16 0.00 0.00 179.01 180.04 3e7n h ILE 11 N 0.40 1.16 -0.71 3.13 2.04 -1.96 -1.60 117.51 119.97 3e7n h ILE 11 Ca -0.00 -0.43 0.03 0.00 1.00 0.00 0.00 64.86 65.45 3e7n h ILE 11 Cb 1.10 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 37.91 3e7n h ILE 11 CO 0.11 0.16 0.45 0.28 0.00 0.00 0.00 178.15 179.15 3e7n h SER 12 N 0.46 0.74 -0.04 1.72 0.02 -1.33 -1.02 113.55 114.09 3e7n h SER 12 Ca 0.13 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3e7n h SER 12 Cb 0.09 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.47 3e7n h SER 12 CO -0.02 0.51 0.01 -1.28 -1.14 0.00 0.00 176.83 174.92 3e7n h SER 13 N 0.87 0.06 -0.38 3.07 0.87 -0.98 -2.16 113.55 114.90 3e7n h SER 13 Ca 0.28 -0.19 -0.14 0.00 -1.23 0.00 0.00 61.79 60.52 3e7n h SER 13 Cb 0.01 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 3e7n h SER 13 CO -0.11 0.23 -0.27 -0.37 -0.53 0.00 0.00 176.83 175.78 3e7n h VAL 14 N -0.12 1.27 -0.97 2.23 -1.51 -1.07 -2.88 116.25 113.20 3e7n h VAL 14 Ca 0.01 -1.43 0.03 0.00 -1.23 0.00 0.00 66.70 64.08 3e7n h VAL 14 Cb 0.19 1.24 -0.05 0.00 -2.13 0.00 0.00 31.29 30.53 3e7n h VAL 14 CO -0.00 0.48 0.64 0.40 -1.23 0.00 0.00 177.57 177.86 3e7n h ILE 15 N 0.77 1.20 0.00 7.19 2.04 -1.13 -1.17 117.51 126.41 3e7n h ILE 15 Ca 0.09 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.52 3e7n h ILE 15 Cb 0.84 -0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 3e7n h ILE 15 CO 0.07 0.23 0.00 0.77 0.00 0.00 0.00 178.15 179.22 3e7n h SER 16 N 1.26 0.00 0.64 1.72 4.64 -1.20 -2.35 113.55 118.27 3e7n h SER 16 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 3e7n h SER 16 Cb -0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 3e7n h SER 16 CO -0.10 0.00 -0.55 0.54 -0.87 0.00 0.00 176.83 175.84 3e7n n ARG 17 N -2.64 0.12 -2.06 4.77 1.74 -0.48 -4.98 116.66 113.13 3e7n n ARG 17 Ca 0.01 0.03 -0.41 0.00 -0.77 0.00 0.00 57.85 56.71 3e7n n ARG 17 Cb 0.27 -1.57 -0.02 0.00 -1.02 0.00 0.00 32.46 30.12 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 -3.47 4.41 0.44 0.55 1.43 -0.89 -5.05 118.68 116.10 3e7n s LEU 18 Ca 0.09 2.75 0.06 0.00 -1.03 0.00 0.00 54.13 56.00 3e7n s LEU 18 Cb 0.16 -3.65 -0.04 0.00 0.03 0.00 0.00 46.19 42.69 3e7n s LEU 18 CO 0.71 -0.60 0.17 -0.83 0.23 0.00 0.00 176.35 176.03 3e7n s GLY 19 N -0.39 2.43 0.16 -3.19 0.00 -1.26 -5.05 107.32 100.01 3e7n s GLY 19 Ca 0.50 -1.86 -0.34 0.00 0.00 0.00 0.00 44.72 43.02 3e7n s GLY 19 CO 0.54 -1.96 1.48 1.57 0.00 0.00 0.00 173.10 174.73 3e7n n HIS 20 N -1.28 2.04 0.00 1.90 -0.00 -1.26 -1.60 115.22 115.02 3e7n n HIS 20 Ca -0.03 0.40 0.00 0.00 0.46 0.00 0.00 57.72 58.54 3e7n n HIS 20 Cb 0.65 -2.47 0.00 0.00 -0.12 0.00 0.00 29.99 28.05 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 2.87 0.00 -1.87 3.57 -2.24 -0.41 -4.99 114.28 111.21 3e7n n THR 21 Ca 0.16 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.57 3e7n n THR 21 Cb 0.27 0.00 0.05 0.00 -2.10 0.00 0.00 70.33 68.55 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 -3.78 5.01 0.20 3.42 1.01 -0.63 -4.67 116.67 117.22 3e7n s ASP 22 Ca 0.00 2.56 0.11 0.00 0.71 0.00 0.00 52.55 55.92 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 -1.73 -0.19 0.42 0.21 0.00 0.00 175.17 173.88 3e7n s THR 23 N -1.45 2.63 -0.03 -1.27 -4.23 -1.26 -1.29 115.64 108.74 3e7n s THR 23 Ca 0.78 -1.94 0.01 0.00 -1.18 0.00 0.00 61.69 59.35 3e7n s THR 23 Cb -0.35 -2.29 0.02 0.00 1.34 0.00 0.00 72.50 71.22 3e7n s THR 23 CO 0.39 -0.14 -0.02 -0.22 -0.54 0.00 0.00 174.62 174.09 3e7n s LEU 24 N -2.79 1.31 -0.13 4.79 2.96 -0.39 -0.79 118.68 123.64 3e7n s LEU 24 Ca 0.23 -0.07 -0.04 0.00 -0.22 0.00 0.00 54.13 54.03 3e7n s LEU 24 Cb -0.08 -0.30 -0.03 0.00 0.50 0.00 0.00 46.19 46.27 3e7n s LEU 24 CO 0.12 -0.07 0.02 -0.69 -1.32 0.00 0.00 176.35 174.41 3e7n s VAL 25 N 0.87 4.46 -0.19 1.68 1.01 -0.45 -0.33 120.40 127.45 3e7n s VAL 25 Ca -0.10 -0.17 -0.02 0.00 0.00 0.00 0.00 61.98 61.69 3e7n s VAL 25 Cb -0.13 -2.93 -0.00 0.00 0.00 0.00 0.00 36.38 33.31 3e7n s VAL 25 CO -0.01 0.55 -0.10 -0.69 0.00 0.00 0.00 175.10 174.85 3e7n s VAL 26 N -0.31 3.03 0.33 2.92 1.01 -0.61 0.68 120.40 127.45 3e7n s VAL 26 Ca 0.07 -0.62 0.05 0.00 0.00 0.00 0.00 61.98 61.47 3e7n s VAL 26 Cb -0.12 -2.34 -0.07 0.00 0.00 0.00 0.00 36.38 33.85 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 -3.52 4.12 0.56 0.00 1.47 -0.77 -0.96 116.67 117.58 3e7n s ASP 28 Ca 0.36 -0.18 0.37 0.00 1.18 0.00 0.00 52.55 54.28 3e7n s ASP 28 Cb 0.08 -0.15 1.84 0.00 -0.34 0.00 0.00 42.92 44.36 3e7n s ASP 28 CO 0.16 -2.02 2.12 0.00 0.68 0.00 0.00 175.17 176.11 3e7n h ALA 29 N -0.76 1.00 -0.10 2.11 0.00 -0.87 -3.06 119.26 117.58 3e7n h ALA 29 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.52 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 0.41 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.07 3e7n n GLY 30 N -0.64 0.45 3.73 0.00 0.00 -1.26 -5.01 105.19 102.45 3e7n n GLY 30 Ca -0.01 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.03 4.43 0.42 0.99 2.96 -1.16 -5.01 118.68 120.28 3e7n s LEU 31 Ca 0.17 2.13 -0.23 0.00 -0.22 0.00 0.00 54.13 55.98 3e7n s LEU 31 Cb 0.11 -3.60 -0.09 0.00 0.50 0.00 0.00 46.19 43.12 3e7n s LEU 31 CO 0.16 -0.39 1.06 -2.16 -1.32 0.00 0.00 176.35 173.70 3e7n s PRO 32 N 0.24 4.04 -0.22 0.98 0.04 -1.26 -4.99 135.00 133.83 3e7n s PRO 32 Ca 0.55 1.50 -0.00 0.00 0.04 0.00 0.00 61.00 63.08 3e7n s PRO 32 Cb -0.31 -2.42 0.02 0.00 0.04 0.00 0.00 34.50 31.83 3e7n s PRO 32 CO 0.33 -0.25 -0.12 0.42 0.04 0.00 0.00 177.00 177.43 3e7n s ILE 33 N -1.73 2.51 0.55 0.56 1.01 -1.26 -5.09 121.20 117.74 3e7n s ILE 33 Ca 0.61 -1.03 -0.20 0.00 0.00 0.00 0.00 60.65 60.03 3e7n s ILE 33 Cb -0.21 -2.21 -0.05 0.00 0.01 0.00 0.00 42.46 40.00 3e7n s ILE 33 CO 0.26 0.32 1.21 -2.84 0.00 0.00 0.00 174.94 173.90 3e7n s PRO 34 N 1.29 3.24 0.00 2.79 0.02 -1.26 -4.91 135.00 136.18 3e7n s PRO 34 Ca 0.01 1.85 0.27 0.00 0.02 0.00 0.00 61.00 63.16 3e7n s PRO 34 Cb -0.15 -2.11 1.44 0.00 0.02 0.00 0.00 34.50 33.70 3e7n s PRO 34 CO -0.08 -1.00 1.95 0.27 -0.33 0.00 0.00 177.00 177.81 3e7n n ASN 35 N -1.19 0.00 0.00 2.53 0.23 -1.26 -2.42 115.26 113.14 3e7n n ASN 35 Ca 0.11 -0.27 0.08 0.00 -0.53 0.00 0.00 54.58 53.97 3e7n n ASN 35 Cb 0.49 -0.22 0.49 0.00 -2.08 0.00 0.00 39.78 38.45 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 -1.22 0.00 -4.07 0.53 3.41 -1.26 -4.83 113.62 106.18 3e7n n SER 36 Ca 0.15 -1.29 -0.13 0.00 -0.26 0.00 0.00 58.87 57.34 3e7n n SER 36 Cb 0.19 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.03 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 0.53 0.29 6.66 -1.32 -1.02 -4.91 115.64 113.88 3e7n s THR 37 Ca 0.25 -1.17 -0.29 0.00 -1.21 0.00 0.00 61.69 59.27 3e7n s THR 37 Cb 0.11 -0.71 -0.10 0.00 -1.51 0.00 0.00 72.50 70.30 3e7n s THR 37 CO 0.19 -0.44 1.12 0.00 -2.21 0.00 0.00 174.62 173.28 3e7n s ALA 38 N -1.63 3.40 -0.28 11.08 0.00 -1.23 -4.86 121.76 128.24 3e7n s ALA 38 Ca -0.08 0.93 -0.07 0.00 0.00 0.00 0.00 51.96 52.74 3e7n s ALA 38 Cb -0.08 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.69 3e7n s ALA 38 CO -0.00 -0.22 0.09 0.50 0.00 0.00 0.00 175.76 176.12 3e7n s ARG 39 N -1.55 3.37 -0.37 0.00 3.52 -1.26 -0.81 118.95 121.86 3e7n s ARG 39 Ca 0.46 -0.67 -0.02 0.00 -0.13 0.00 0.00 55.73 55.37 3e7n s ARG 39 Cb -0.32 -3.38 0.09 0.00 -1.56 0.00 0.00 34.95 29.78 3e7n s ARG 39 CO 0.42 -0.33 0.13 0.42 -0.81 0.00 0.00 175.30 175.13 3e7n s ILE 40 N 1.57 3.13 0.27 4.11 1.01 -0.42 -4.97 121.20 125.89 3e7n s ILE 40 Ca 0.05 -1.85 -0.03 0.00 0.00 0.00 0.00 60.65 58.82 3e7n s ILE 40 Cb -0.16 -3.04 -0.05 0.00 0.01 0.00 0.00 42.46 39.22 3e7n s ILE 40 CO 0.03 -0.49 0.50 -0.62 0.00 0.00 0.00 174.94 174.37 3e7n s ASP 41 N 1.56 6.40 0.22 3.58 -1.08 -1.26 -0.94 116.67 125.14 3e7n s ASP 41 Ca 0.04 0.57 0.00 0.00 -0.52 0.00 0.00 52.55 52.64 3e7n s ASP 41 Cb -0.21 -2.08 0.00 0.00 -1.46 0.00 0.00 42.92 39.16 3e7n s ASP 41 CO -0.03 -0.17 0.00 0.00 0.52 0.00 0.00 175.17 175.49 3e7n n ALA 43 N -1.02 -2.16 -0.11 3.66 0.00 -0.69 -4.95 120.51 115.25 3e7n n ALA 43 Ca -0.03 0.42 -0.18 0.00 0.00 0.00 0.00 53.44 53.65 3e7n n ALA 43 Cb 0.54 -1.34 -0.07 0.00 0.00 0.00 0.00 19.45 18.58 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 1.40 1.91 -3.81 0.00 7.94 -0.34 -4.95 117.00 119.15 3e7n n LEU 44 Ca 0.00 0.41 -0.09 0.00 -1.11 0.00 0.00 56.01 55.22 3e7n n LEU 44 Cb 0.00 -0.84 0.02 0.00 0.53 0.00 0.00 43.42 43.13 3e7n n LEU 44 CO 0.00 0.10 0.52 0.28 -1.11 0.00 0.00 177.39 177.18 3e7n s THR 45 N -2.54 0.00 -0.11 1.96 -1.32 -1.02 -5.05 115.64 107.57 3e7n s THR 45 Ca -0.30 -1.01 -0.37 0.00 -1.21 0.00 0.00 61.69 58.81 3e7n s THR 45 Cb 0.08 -2.84 -0.14 0.00 -1.51 0.00 0.00 72.50 68.09 3e7n s THR 45 CO 0.45 0.00 1.74 0.00 -2.21 0.00 0.00 174.62 174.60 3e7n n GLN 46 N -0.53 1.69 -0.94 7.08 3.00 -1.26 -1.11 117.38 125.32 3e7n n GLN 46 Ca -0.08 0.62 0.00 0.00 -0.01 0.00 0.00 57.00 57.53 3e7n n GLN 46 Cb 0.60 -2.38 0.00 0.00 0.00 0.00 0.00 30.24 28.46 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 4.01 0.47 2.79 1.08 0.00 0.96 -4.99 105.19 109.51 3e7n n GLY 47 Ca 0.23 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.19 0.74 0.62 1.61 1.01 -0.27 -2.97 120.40 118.95 3e7n s VAL 48 Ca 0.00 -0.57 -0.11 0.00 0.00 0.00 0.00 61.98 61.30 3e7n s VAL 48 Cb 0.00 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 3e7n s VAL 48 CO 0.00 -0.08 1.02 -2.16 0.00 0.00 0.00 175.10 173.88 3e7n s PRO 49 N 1.77 3.55 0.72 2.72 0.04 -1.26 -1.19 135.00 141.35 3e7n s PRO 49 Ca -0.01 0.70 -0.11 0.00 0.04 0.00 0.00 61.00 61.62 3e7n s PRO 49 Cb -0.16 -2.10 0.03 0.00 0.04 0.00 0.00 34.50 32.31 3e7n s PRO 49 CO -0.07 -0.57 1.07 -1.54 0.04 0.00 0.00 177.00 175.92 3e7n s SER 50 N -4.19 5.11 0.00 6.66 1.04 -1.16 -0.34 113.70 120.83 3e7n s SER 50 Ca 0.55 1.58 0.00 0.00 0.48 0.00 0.00 55.95 58.56 3e7n s SER 50 Cb -0.11 -2.41 0.00 0.00 0.10 0.00 0.00 66.02 63.60 3e7n s SER 50 CO 0.53 -1.61 0.00 0.33 0.98 0.00 0.00 173.24 173.47 3e7n n PHE 51 N -3.23 0.00 0.00 5.02 7.35 -1.26 -2.27 117.46 123.06 3e7n n PHE 51 Ca 0.08 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.77 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 0.39 0.00 -0.03 -4.13 6.02 -1.26 -1.17 117.38 117.20 3e7n n GLN 53 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.84 3e7n n GLN 53 Cb 0.00 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.17 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 1.41 -0.45 5.09 2.07 -1.81 -2.16 116.25 120.40 3e7n h VAL 54 Ca 0.00 -1.67 0.05 0.00 0.82 0.00 0.00 66.70 65.89 3e7n h VAL 54 Cb 0.00 2.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.98 3e7n h VAL 54 CO 0.00 0.48 0.19 0.58 0.02 0.00 0.00 177.57 178.85 3e7n h VAL 55 N -0.11 0.91 0.19 2.57 2.07 -1.42 -0.89 116.25 119.57 3e7n h VAL 55 Ca -0.01 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.38 3e7n h VAL 55 Cb 0.94 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 3e7n h VAL 55 CO 0.06 0.07 -0.24 -0.78 0.02 0.00 0.00 177.57 176.71 3e7n h ASP 56 N 0.39 -0.65 -0.45 0.57 3.58 -1.81 -0.83 116.42 117.22 3e7n h ASP 56 Ca 0.20 0.07 -0.02 0.00 0.42 0.00 0.00 57.03 57.70 3e7n h ASP 56 Cb 0.16 0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.42 3e7n h ASP 56 CO -0.18 -0.34 0.21 0.58 -2.88 0.00 0.00 179.24 176.63 3e7n h VAL 57 N -0.48 1.18 -0.50 2.25 2.07 -1.10 -2.53 116.25 117.15 3e7n h VAL 57 Ca 0.01 -0.52 0.06 0.00 0.82 0.00 0.00 66.70 67.07 3e7n h VAL 57 Cb 0.47 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 3e7n h VAL 57 CO -0.08 0.20 0.21 0.58 0.02 0.00 0.00 177.57 178.49 3e7n h VAL 58 N 0.58 0.88 0.00 2.57 2.07 -1.00 -2.42 116.25 118.92 3e7n h VAL 58 Ca 0.15 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.53 3e7n h VAL 58 Cb 0.12 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 3e7n h VAL 58 CO -0.02 0.07 0.00 0.35 0.02 0.00 0.00 177.57 178.00 3e7n n THR 59 N -4.96 0.21 0.18 2.57 -2.24 -0.33 -2.00 114.28 107.72 3e7n n THR 59 Ca 0.05 0.05 0.05 0.00 -2.27 0.00 0.00 64.05 61.93 3e7n n THR 59 Cb 0.17 -0.64 0.33 0.00 -2.10 0.00 0.00 70.33 68.10 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 -1.32 -0.78 3.08 -1.03 -3.45 114.38 110.89 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 0.40 0.20 -1.91 -1.07 0.00 0.00 179.97 177.58 3e7n n GLU 61 N -3.62 3.08 -3.73 0.04 2.13 -0.85 -5.08 120.64 112.60 3e7n n GLU 61 Ca -0.01 -3.81 -0.25 0.00 0.66 0.00 0.00 57.16 53.76 3e7n n GLU 61 Cb 0.50 -2.27 -0.17 0.00 0.27 0.00 0.00 31.44 29.77 3e7n n GLU 61 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 3e7n s GLN 63 N -3.78 0.51 -0.17 5.31 -1.52 -1.26 -5.04 119.66 113.71 3e7n s GLN 63 Ca 0.55 -0.07 -0.05 0.00 -1.95 0.00 0.00 55.36 53.83 3e7n s GLN 63 Cb 0.45 -1.42 -0.03 0.00 -0.22 0.00 0.00 33.01 31.78 3e7n s GLN 63 CO -0.15 -0.46 0.01 0.08 -0.25 0.00 0.00 175.29 174.52 3e7n s VAL 64 N 1.97 4.23 -0.16 1.09 1.01 -1.25 -1.59 120.40 125.69 3e7n s VAL 64 Ca 0.03 -0.23 0.13 0.00 0.00 0.00 0.00 61.98 61.90 3e7n s VAL 64 Cb -0.14 -2.89 -0.19 0.00 0.00 0.00 0.00 36.38 33.16 3e7n s VAL 64 CO -0.06 0.47 0.35 -1.84 0.00 0.00 0.00 175.10 174.01 3e7n n GLU 65 N 3.68 0.98 -3.47 2.72 0.28 0.23 -4.68 120.64 120.38 3e7n n GLU 65 Ca -0.17 -0.09 -0.13 0.00 -0.16 0.00 0.00 57.16 56.61 3e7n n GLU 65 Cb 0.52 -1.26 -0.03 0.00 1.43 0.00 0.00 31.44 32.10 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 -2.74 -1.69 -0.01 -1.84 0.00 -1.19 -2.27 121.76 112.01 3e7n s ALA 66 Ca -0.02 0.84 0.01 0.00 0.00 0.00 0.00 51.96 52.79 3e7n s ALA 66 Cb 0.09 0.50 0.01 0.00 0.00 0.00 0.00 23.12 23.72 3e7n s ALA 66 CO 0.54 -0.63 -0.03 0.00 0.00 0.00 0.00 175.76 175.64 3e7n s ALA 67 N -2.84 0.33 -0.07 0.00 0.00 0.63 -0.38 121.76 119.43 3e7n s ALA 67 Ca -0.02 -0.06 0.04 0.00 0.00 0.00 0.00 51.96 51.92 3e7n s ALA 67 Cb -0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 23.12 22.93 3e7n s ALA 67 CO -0.06 0.03 -0.20 0.42 0.00 0.00 0.00 175.76 175.95 3e7n s ILE 68 N 0.27 2.49 0.15 0.00 1.01 0.14 -1.81 121.20 123.45 3e7n s ILE 68 Ca -0.03 -0.91 0.05 0.00 0.00 0.00 0.00 60.65 59.77 3e7n s ILE 68 Cb -0.06 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.42 3e7n s ILE 68 CO -0.01 0.57 -0.11 -0.76 0.00 0.00 0.00 174.94 174.63 3e7n s LEU 69 N -0.21 2.51 0.21 2.97 1.43 -0.48 -1.41 118.68 123.70 3e7n s LEU 69 Ca -0.01 -0.98 -0.30 0.00 -1.03 0.00 0.00 54.13 51.81 3e7n s LEU 69 Cb -0.13 -0.40 -0.08 0.00 0.03 0.00 0.00 46.19 45.60 3e7n s LEU 69 CO 0.03 -0.29 1.11 0.00 0.23 0.00 0.00 176.35 177.44 3e7n s ALA 70 N -3.11 3.39 0.44 4.21 0.00 -1.26 -1.50 121.76 123.94 3e7n s ALA 70 Ca 0.16 0.86 0.14 0.00 0.00 0.00 0.00 51.96 53.12 3e7n s ALA 70 Cb 0.01 -3.35 1.04 0.00 0.00 0.00 0.00 23.12 20.82 3e7n s ALA 70 CO 0.01 -0.22 1.99 1.15 0.00 0.00 0.00 175.76 178.70 3e7n h THR 71 N 3.53 0.91 -0.03 0.00 2.02 -1.15 -2.21 112.91 115.97 3e7n h THR 71 Ca -0.45 -0.13 0.01 0.00 0.77 0.00 0.00 66.41 66.61 3e7n h THR 71 Cb 1.21 0.49 -0.00 0.00 -1.74 0.00 0.00 68.15 68.11 3e7n h THR 71 CO 0.71 0.07 0.07 -0.33 0.37 0.00 0.00 175.52 176.41 3e7n h GLU 72 N 0.39 0.00 -0.26 6.66 3.07 -1.92 -2.31 114.58 120.21 3e7n h GLU 72 Ca 0.26 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.08 3e7n h GLU 72 Cb 0.50 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.39 3e7n h GLU 72 CO -0.07 0.00 -0.01 0.97 -1.40 0.00 0.00 179.01 178.50 3e7n h ILE 73 N 0.00 1.17 -0.06 3.13 2.10 -1.69 -1.76 117.51 120.40 3e7n h ILE 73 Ca 0.02 -0.66 0.02 0.00 1.08 0.00 0.00 64.86 65.32 3e7n h ILE 73 Cb 0.15 0.99 -0.02 0.00 -1.09 0.00 0.00 36.82 36.84 3e7n h ILE 73 CO -0.00 0.22 -0.07 0.11 -1.08 0.00 0.00 178.15 177.33 3e7n h LYS 74 N 0.38 -0.09 0.13 2.19 1.57 -1.61 -0.28 116.57 118.85 3e7n h LYS 74 Ca 0.08 0.01 -0.30 0.00 -1.87 0.00 0.00 60.65 58.57 3e7n h LYS 74 Cb 0.27 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3e7n h LYS 74 CO 0.01 -0.06 -1.46 1.96 -0.57 0.00 0.00 179.45 179.33 3e7n h GLN 75 N -0.10 0.28 -0.01 3.15 1.08 -1.74 -3.32 115.11 114.46 3e7n h GLN 75 Ca 0.05 -0.49 0.00 0.00 -1.45 0.00 0.00 58.65 56.76 3e7n h GLN 75 Cb 0.17 0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 3e7n h GLN 75 CO -0.12 1.18 -0.52 1.04 -0.95 0.00 0.00 178.83 179.46 3e7n n GLN 76 N -3.50 1.24 -2.79 1.46 6.02 -0.67 -4.48 117.38 114.66 3e7n n GLN 76 Ca -0.15 -0.75 -0.10 0.00 -0.01 0.00 0.00 57.00 55.99 3e7n n GLN 76 Cb 1.04 -1.41 0.06 0.00 1.02 0.00 0.00 30.24 30.96 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 -0.33 -0.80 0.08 1.08 2.85 -0.12 -4.64 115.26 113.38 3e7n n ASN 77 Ca 0.07 -2.96 0.03 0.00 -0.11 0.00 0.00 54.58 51.61 3e7n n ASN 77 Cb 0.40 0.64 0.40 0.00 1.24 0.00 0.00 39.78 42.46 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 2.68 0.34 0.05 1.20 0.13 -1.65 -0.56 132.00 134.18 3e7n h PRO 78 Ca -0.12 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 64.95 3e7n h PRO 78 Cb 1.16 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3e7n h PRO 78 CO 0.21 0.37 -0.02 0.37 -0.23 0.00 0.00 178.00 178.71 3e7n h GLN 79 N 0.33 -0.06 -0.38 0.86 -0.00 -1.91 -0.81 115.11 113.15 3e7n h GLN 79 Ca 0.08 0.00 -0.13 0.00 -0.00 0.00 0.00 58.65 58.61 3e7n h GLN 79 Cb 0.23 0.01 -0.01 0.00 0.00 0.00 0.00 27.48 27.72 3e7n h GLN 79 CO 0.01 -0.02 -0.26 1.25 0.00 0.00 0.00 178.83 179.81 3e7n h LEU 80 N -0.08 0.88 -0.57 -2.39 5.85 -1.83 -2.34 115.31 114.83 3e7n h LEU 80 Ca -0.01 -0.43 0.11 0.00 0.84 0.00 0.00 57.88 58.39 3e7n h LEU 80 Cb 0.07 -0.24 -0.08 0.00 0.37 0.00 0.00 40.66 40.77 3e7n h LEU 80 CO 0.01 1.12 0.11 -0.74 -0.34 0.00 0.00 178.44 178.60 3e7n h HIS 81 N 0.64 0.17 -0.29 1.25 2.76 -0.94 -0.69 115.15 118.04 3e7n h HIS 81 Ca 0.07 0.04 -0.17 0.00 -2.20 0.00 0.00 60.37 58.11 3e7n h HIS 81 Cb 0.83 0.01 -0.00 0.00 1.55 0.00 0.00 27.41 29.80 3e7n h HIS 81 CO 0.06 -0.04 -0.47 1.49 -1.30 0.00 0.00 177.93 177.67 3e7n h GLU 82 N 0.24 0.79 -0.89 5.26 4.57 -0.99 -1.70 114.58 121.87 3e7n h GLU 82 Ca 0.30 -0.46 0.05 0.00 -1.18 0.00 0.00 59.36 58.07 3e7n h GLU 82 Cb 0.44 0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 29.01 3e7n h GLU 82 CO -0.39 1.09 0.56 1.15 -1.18 0.00 0.00 179.01 180.24 3e7n h THR 83 N 0.63 1.08 -0.32 0.32 2.02 -0.85 -1.26 112.91 114.54 3e7n h THR 83 Ca 0.03 -0.36 -0.10 0.00 0.77 0.00 0.00 66.41 66.76 3e7n h THR 83 Cb 1.05 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 3e7n h THR 83 CO 0.10 0.19 -0.18 0.25 0.37 0.00 0.00 175.52 176.25 3e7n h LEU 84 N 1.04 0.71 -0.55 2.58 5.85 -0.91 -1.71 115.31 122.32 3e7n h LEU 84 Ca 0.38 -0.42 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 3e7n h LEU 84 Cb 0.12 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 3e7n h LEU 84 CO -0.16 0.97 0.28 -0.07 -0.34 0.00 0.00 178.44 179.12 3e7n h LEU 85 N 0.45 0.70 -0.68 2.25 3.38 -0.92 0.20 115.31 120.69 3e7n h LEU 85 Ca 0.07 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3e7n h LEU 85 Cb 0.72 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 3e7n h LEU 85 CO 0.05 0.62 0.44 0.74 0.09 0.00 0.00 178.44 180.39 3e7n h THR 86 N 0.73 1.18 -0.35 0.22 2.02 -1.15 0.55 112.91 116.11 3e7n h THR 86 Ca 0.19 -0.34 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 3e7n h THR 86 Cb 0.09 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 66.68 3e7n h THR 86 CO -0.03 0.17 0.13 -0.74 0.37 0.00 0.00 175.52 175.42 3e7n h HIS 87 N 0.92 0.54 -0.16 3.16 -0.00 -0.82 -1.52 115.15 117.28 3e7n h HIS 87 Ca 0.25 -0.05 -0.03 0.00 -0.00 0.00 0.00 60.37 60.54 3e7n h HIS 87 Cb -0.09 -0.16 -0.01 0.00 -0.00 0.00 0.00 27.41 27.15 3e7n h HIS 87 CO -0.02 0.52 -0.03 -0.07 -0.00 0.00 0.00 177.93 178.32 3e7n h LEU 88 N 0.41 0.21 -0.32 0.26 3.38 -0.65 0.81 115.31 119.41 3e7n h LEU 88 Ca 0.11 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3e7n h LEU 88 Cb 0.22 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3e7n h LEU 88 CO -0.01 0.28 0.15 -0.08 0.09 0.00 0.00 178.44 178.87 3e7n h GLU 89 N 0.22 0.46 -0.31 1.13 4.81 -0.35 -1.67 114.58 118.88 3e7n h GLU 89 Ca 0.05 -0.07 -0.16 0.00 -0.13 0.00 0.00 59.36 59.05 3e7n h GLU 89 Cb 0.21 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 3e7n h GLU 89 CO 0.01 0.43 -0.44 1.96 -0.73 0.00 0.00 179.01 180.25 3e7n h GLN 90 N 0.38 0.78 -0.38 1.92 4.20 -0.56 -2.72 115.11 118.73 3e7n h GLN 90 Ca 0.11 -0.43 -0.01 0.00 0.06 0.00 0.00 58.65 58.38 3e7n h GLN 90 Cb 0.13 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 3e7n h GLN 90 CO -0.01 1.06 0.18 1.25 -0.67 0.00 0.00 178.83 180.64 3e7n h LEU 91 N 0.63 0.50 -0.99 1.46 5.85 -0.76 -1.00 115.31 120.99 3e7n h LEU 91 Ca 0.04 -0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.58 3e7n h LEU 91 Cb 1.00 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.88 3e7n h LEU 91 CO 0.10 0.49 0.16 0.06 -0.34 0.00 0.00 178.44 178.91 3e7n h GLN 92 N 0.48 0.89 -0.26 1.25 3.07 -1.25 0.20 115.11 119.49 3e7n h GLN 92 Ca 0.13 -0.18 -0.00 0.00 0.09 0.00 0.00 58.65 58.69 3e7n h GLN 92 Cb 0.12 -0.14 -0.01 0.00 0.08 0.00 0.00 27.48 27.53 3e7n h GLN 92 CO -0.02 0.78 0.15 1.96 0.09 0.00 0.00 178.83 181.80 3e7n h GLN 93 N 0.86 0.36 -0.70 0.06 4.20 -1.15 0.17 115.11 118.90 3e7n h GLN 93 Ca 0.19 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.83 3e7n h GLN 93 Cb 0.28 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.95 3e7n h GLN 93 CO -0.00 0.30 0.30 0.45 -0.67 0.00 0.00 178.83 179.21 3e7n h HIS 94 N 0.32 1.03 0.00 2.96 3.86 -0.26 -2.34 115.15 120.72 3e7n h HIS 94 Ca 0.09 -0.06 -0.05 0.00 -1.16 0.00 0.00 60.37 59.20 3e7n h HIS 94 Cb 0.04 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.18 3e7n h HIS 94 CO -0.04 0.77 -0.23 1.96 0.86 0.00 0.00 177.93 181.25 3e7n h GLN 95 N 1.01 0.00 -0.37 2.45 4.20 -0.39 -3.47 115.11 118.54 3e7n h GLN 95 Ca 0.24 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.89 3e7n h GLN 95 Cb 0.16 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 3e7n h GLN 95 CO -0.03 0.23 -0.07 0.41 -0.67 0.00 0.00 178.83 178.70 3e7n n GLY 96 N 0.78 0.31 0.00 3.46 0.00 0.51 -4.98 105.19 105.28 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 1.46 0.39 -3.90 1.61 6.94 -0.67 -5.00 115.26 116.09 3e7n n ASN 97 Ca -0.03 -0.84 -0.29 0.00 -0.02 0.00 0.00 54.58 53.40 3e7n n ASN 97 Cb 0.45 0.00 -0.16 0.00 -2.36 0.00 0.00 39.78 37.71 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 1.17 -0.29 5.53 -1.32 -1.26 -4.36 115.64 113.48 3e7n s THR 98 Ca 0.00 -0.71 -0.26 0.00 -1.21 0.00 0.00 61.69 59.52 3e7n s THR 98 Cb 0.00 -1.35 0.00 0.00 -1.51 0.00 0.00 72.50 69.64 3e7n s THR 98 CO 0.00 0.10 0.89 -0.63 -2.21 0.00 0.00 174.62 172.77 3e7n s ILE 99 N 1.60 4.72 0.01 5.08 1.01 -1.26 -4.87 121.20 127.49 3e7n s ILE 99 Ca -0.00 1.47 -0.30 0.00 0.00 0.00 0.00 60.65 61.82 3e7n s ILE 99 Cb -0.16 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 38.05 3e7n s ILE 99 CO -0.08 -0.27 1.09 -0.54 0.00 0.00 0.00 174.94 175.14 3e7n s LYS 100 N 3.14 4.48 -0.13 2.79 1.02 -0.96 -4.87 119.74 125.21 3e7n s LYS 100 Ca 0.37 1.58 -0.02 0.00 0.02 0.00 0.00 55.97 57.92 3e7n s LYS 100 Cb -0.14 -3.43 -0.03 0.00 -0.52 0.00 0.00 37.83 33.72 3e7n s LYS 100 CO 0.12 -0.18 -0.05 0.42 -0.92 0.00 0.00 175.35 174.74 3e7n s ILE 101 N 1.18 3.82 0.09 2.17 1.09 -1.26 -0.27 121.20 128.03 3e7n s ILE 101 Ca 0.55 -0.40 -0.01 0.00 -1.10 0.00 0.00 60.65 59.69 3e7n s ILE 101 Cb -0.25 -2.64 -0.04 0.00 -1.06 0.00 0.00 42.46 38.47 3e7n s ILE 101 CO 0.27 0.53 0.02 -0.94 -0.10 0.00 0.00 174.94 174.72 3e7n s SER 102 N 0.02 0.39 -0.02 3.58 1.04 -0.75 -4.98 113.70 112.99 3e7n s SER 102 Ca 0.00 -1.10 0.04 0.00 0.48 0.00 0.00 55.95 55.37 3e7n s SER 102 Cb -0.13 0.25 -0.01 0.00 0.10 0.00 0.00 66.02 66.23 3e7n s SER 102 CO 0.03 -0.67 -0.15 -0.31 0.98 0.00 0.00 173.24 173.12 3e7n s TYR 103 N -3.98 1.35 0.30 5.02 2.02 -1.26 -1.39 117.35 119.40 3e7n s TYR 103 Ca 0.16 -0.27 0.03 0.00 -0.37 0.00 0.00 57.07 56.61 3e7n s TYR 103 Cb 0.08 -0.87 -0.04 0.00 -0.40 0.00 0.00 41.96 40.72 3e7n s TYR 103 CO -0.04 -0.04 0.13 0.95 -1.57 0.00 0.00 175.55 174.98 3e7n s THR 104 N -0.28 0.44 0.76 -0.71 -4.23 -0.56 -4.87 115.64 106.19 3e7n s THR 104 Ca 0.04 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.42 3e7n s THR 104 Cb -0.06 -2.55 0.06 0.00 1.34 0.00 0.00 72.50 71.28 3e7n s THR 104 CO -0.00 0.00 1.15 0.42 -0.54 0.00 0.00 174.62 175.64 3e7n s THR 105 N -3.62 2.71 0.29 3.99 -4.23 -1.26 -0.59 115.64 112.93 3e7n s THR 105 Ca 0.36 0.29 -0.03 0.00 -1.18 0.00 0.00 61.69 61.13 3e7n s THR 105 Cb 0.06 -2.72 0.26 0.00 1.34 0.00 0.00 72.50 71.44 3e7n s THR 105 CO 0.16 -0.24 1.96 -0.74 -0.54 0.00 0.00 174.62 175.22 3e7n h HIS 106 N -0.72 1.07 -0.44 3.99 2.76 -1.93 0.65 115.15 120.53 3e7n h HIS 106 Ca -0.46 0.02 0.05 0.00 -2.20 0.00 0.00 60.37 57.79 3e7n h HIS 106 Cb 1.26 -0.36 -0.05 0.00 1.55 0.00 0.00 27.41 29.81 3e7n h HIS 106 CO 0.52 0.68 0.16 0.93 -1.30 0.00 0.00 177.93 178.92 3e7n h GLU 107 N 1.15 0.33 -0.45 5.26 4.39 -2.00 -0.92 114.58 122.34 3e7n h GLU 107 Ca 0.31 -0.02 -0.13 0.00 0.34 0.00 0.00 59.36 59.86 3e7n h GLU 107 Cb -0.13 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.44 3e7n h GLU 107 CO -0.07 0.22 -0.23 0.37 -1.16 0.00 0.00 179.01 178.14 3e7n h GLN 108 N 0.34 0.93 -0.37 2.33 5.75 -1.75 -2.58 115.11 119.76 3e7n h GLN 108 Ca 0.21 -0.40 0.07 0.00 -0.15 0.00 0.00 58.65 58.38 3e7n h GLN 108 Cb 0.19 -0.03 -0.07 0.00 1.07 0.00 0.00 27.48 28.65 3e7n h GLN 108 CO -0.20 1.06 -0.06 0.35 -2.65 0.00 0.00 178.83 177.33 3e7n h PHE 109 N 0.80 -0.13 -0.80 3.99 3.57 -0.31 -1.33 116.94 122.73 3e7n h PHE 109 Ca 0.10 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.69 3e7n h PHE 109 Cb 0.80 0.11 -0.06 0.00 2.79 0.00 0.00 35.95 39.59 3e7n h PHE 109 CO 0.05 -0.13 0.50 0.87 -2.23 0.00 0.00 178.31 177.37 3e7n h LYS 110 N 0.04 0.89 -0.66 1.11 1.57 -0.99 -1.24 116.57 117.29 3e7n h LYS 110 Ca 0.18 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 3e7n h LYS 110 Cb 0.27 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 3e7n h LYS 110 CO -0.35 0.59 0.36 0.87 -0.57 0.00 0.00 179.45 180.35 3e7n h LYS 111 N 0.92 0.93 -0.13 3.15 1.57 -0.99 -2.54 116.57 119.47 3e7n h LYS 111 Ca 0.34 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.98 3e7n h LYS 111 Cb 0.13 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 3e7n h LYS 111 CO -0.16 0.70 -0.08 -0.07 -0.57 0.00 0.00 179.45 179.27 3e7n h LEU 112 N 0.91 0.19 -2.22 2.94 3.38 -0.48 -1.80 115.31 118.22 3e7n h LEU 112 Ca 0.23 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 3e7n h LEU 112 Cb 0.04 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 3e7n h LEU 112 CO -0.04 0.30 -0.06 0.71 0.09 0.00 0.00 178.44 179.44 3e7n h THR 113 N 0.20 0.55 0.00 0.22 1.35 -0.81 -1.63 112.91 112.79 3e7n h THR 113 Ca 0.04 -0.24 -0.01 0.00 -0.55 0.00 0.00 66.41 65.65 3e7n h THR 113 Cb 0.27 1.16 -0.00 0.00 -1.73 0.00 0.00 68.15 67.85 3e7n h THR 113 CO 0.01 0.05 -0.03 0.00 -0.25 0.00 0.00 175.52 175.31 3e7n h ALA 114 N 1.94 1.18 -0.14 6.62 0.00 -1.31 -2.49 119.26 125.06 3e7n h ALA 114 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3e7n h ALA 114 Cb 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3e7n h ALA 114 CO 0.01 0.03 0.00 -0.25 0.00 0.00 0.00 179.25 179.04 3e7n n ASP 115 N -3.38 3.04 -4.86 0.00 8.00 -0.61 -4.60 116.55 114.15 3e7n n ASP 115 Ca -0.02 -1.97 -0.30 0.00 0.71 0.00 0.00 54.79 53.21 3e7n n ASP 115 Cb 0.14 -0.08 0.06 0.00 -0.02 0.00 0.00 41.12 41.22 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 -1.83 5.25 0.17 -2.24 1.04 -0.94 -4.73 113.70 110.42 3e7n s SER 116 Ca 0.32 1.23 0.03 0.00 0.48 0.00 0.00 55.95 58.01 3e7n s SER 116 Cb 0.21 -2.04 0.01 0.00 0.10 0.00 0.00 66.02 64.30 3e7n s SER 116 CO 0.31 -1.48 1.39 1.56 0.98 0.00 0.00 173.24 176.00 3e7n h GLN 117 N -0.75 0.19 -2.33 4.02 1.08 -1.30 -3.44 115.11 112.59 3e7n h GLN 117 Ca -0.45 -0.20 0.02 0.00 -1.45 0.00 0.00 58.65 56.56 3e7n h GLN 117 Cb 1.25 0.06 -0.16 0.00 -0.05 0.00 0.00 27.48 28.57 3e7n h GLN 117 CO 0.62 0.94 0.33 0.00 -0.95 0.00 0.00 178.83 179.76 3e7n s ALA 118 N -3.23 -1.75 -0.21 3.87 0.00 -1.26 -3.48 121.76 115.70 3e7n s ALA 118 Ca -0.03 1.01 -0.03 0.00 0.00 0.00 0.00 51.96 52.91 3e7n s ALA 118 Cb 0.10 0.29 -0.00 0.00 0.00 0.00 0.00 23.12 23.50 3e7n s ALA 118 CO 0.82 -0.57 -0.06 0.08 0.00 0.00 0.00 175.76 176.03 3e7n s VAL 119 N -2.50 3.21 -0.33 0.00 1.01 0.01 -1.34 120.40 120.46 3e7n s VAL 119 Ca -0.02 -0.55 -0.15 0.00 0.00 0.00 0.00 61.98 61.27 3e7n s VAL 119 Cb -0.01 -2.45 -0.02 0.00 0.00 0.00 0.00 36.38 33.91 3e7n s VAL 119 CO -0.04 0.44 0.35 -0.63 0.00 0.00 0.00 175.10 175.22 3e7n s ILE 120 N 1.44 5.18 -0.24 2.22 1.01 0.21 -1.30 121.20 129.72 3e7n s ILE 120 Ca 0.06 0.09 -0.19 0.00 0.00 0.00 0.00 60.65 60.61 3e7n s ILE 120 Cb -0.14 -3.79 -0.03 0.00 0.01 0.00 0.00 42.46 38.51 3e7n s ILE 120 CO -0.04 -0.05 0.54 -0.60 0.00 0.00 0.00 174.94 174.79 3e7n s ARG 121 N 1.99 4.11 0.58 2.79 3.52 -0.11 -1.16 118.95 130.68 3e7n s ARG 121 Ca 0.11 0.40 0.04 0.00 -0.13 0.00 0.00 55.73 56.15 3e7n s ARG 121 Cb -0.16 -3.63 0.07 0.00 -1.56 0.00 0.00 34.95 29.67 3e7n s ARG 121 CO 0.11 -0.31 0.80 -1.54 -0.81 0.00 0.00 175.30 173.56 3e7n s SER 122 N 1.42 5.06 0.00 -2.12 1.04 -0.13 -1.70 113.70 117.25 3e7n s SER 122 Ca 0.23 -0.37 0.12 0.00 0.48 0.00 0.00 55.95 56.41 3e7n s SER 122 Cb -0.16 -0.34 0.41 0.00 0.10 0.00 0.00 66.02 66.04 3e7n s SER 122 CO 0.09 -1.31 1.32 0.61 0.98 0.00 0.00 173.24 174.93 3e7n n GLY 123 N -2.36 0.37 3.75 7.32 0.00 0.54 -3.23 105.19 111.58 3e7n n GLY 123 Ca 0.12 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.65 4.13 0.00 1.61 2.56 -1.24 -0.03 118.70 124.08 3e7n s GLU 124 Ca 0.24 2.57 0.10 0.00 0.00 0.00 0.00 54.97 57.88 3e7n s GLU 124 Cb 0.12 -3.03 -0.09 0.00 2.00 0.00 0.00 34.13 33.14 3e7n s GLU 124 CO 0.17 -0.62 0.49 0.00 -0.56 0.00 0.00 175.26 174.74 3e7n s SER 126 N -1.86 4.14 0.28 0.00 1.04 -1.26 -4.98 113.70 111.05 3e7n s SER 126 Ca 0.05 1.53 -0.29 0.00 0.48 0.00 0.00 55.95 57.72 3e7n s SER 126 Cb 0.08 -2.25 -0.09 0.00 0.10 0.00 0.00 66.02 63.86 3e7n s SER 126 CO 0.39 -2.23 1.00 -2.84 0.98 0.00 0.00 173.24 170.55 3e7n s PRO 127 N -4.99 4.68 -1.55 4.02 0.02 -1.26 -3.99 135.00 131.93 3e7n s PRO 127 Ca 0.62 1.57 -0.01 0.00 0.02 0.00 0.00 61.00 63.20 3e7n s PRO 127 Cb -0.17 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.25 3e7n s PRO 127 CO 0.56 0.32 0.13 0.66 -0.33 0.00 0.00 177.00 178.34 3e7n n TYR 128 N 1.11 -1.31 -2.08 6.54 4.01 -1.26 -4.57 117.16 119.60 3e7n n TYR 128 Ca -0.00 0.11 -0.42 0.00 -0.16 0.00 0.00 57.90 57.42 3e7n n TYR 128 Cb 0.47 -3.73 0.00 0.00 -0.31 0.00 0.00 39.34 35.77 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 -2.40 5.39 -3.25 -0.72 0.00 -1.26 -4.75 120.51 113.53 3e7n n ALA 129 Ca -0.19 -4.11 -0.15 0.00 0.00 0.00 0.00 53.44 48.99 3e7n n ALA 129 Cb 0.65 -3.24 -0.15 0.00 0.00 0.00 0.00 19.45 16.71 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 2.01 0.33 0.00 0.00 0.01 -1.26 -1.85 114.94 114.17 3e7n s ASN 130 Ca 0.43 -0.03 0.01 0.00 -0.71 0.00 0.00 52.86 52.56 3e7n s ASN 130 Cb 0.11 -0.11 -0.00 0.00 0.41 0.00 0.00 41.25 41.66 3e7n s ASN 130 CO -0.04 -0.03 -0.03 0.54 -1.51 0.00 0.00 177.10 176.03 3e7n s VAL 131 N 0.45 0.25 -0.27 1.60 0.11 -0.04 -4.50 120.40 118.00 3e7n s VAL 131 Ca -0.04 -0.24 -0.13 0.00 -2.93 0.00 0.00 61.98 58.64 3e7n s VAL 131 Cb -0.07 -0.24 -0.04 0.00 -1.53 0.00 0.00 36.38 34.50 3e7n s VAL 131 CO -0.01 0.00 0.28 -0.63 -3.33 0.00 0.00 175.10 171.41 3e7n s ILE 132 N -0.24 5.25 -0.17 7.04 1.01 -0.50 -1.58 121.20 132.00 3e7n s ILE 132 Ca -0.01 0.36 -0.09 0.00 0.00 0.00 0.00 60.65 60.91 3e7n s ILE 132 Cb -0.02 -3.61 -0.05 0.00 0.01 0.00 0.00 42.46 38.79 3e7n s ILE 132 CO -0.00 0.21 0.13 -0.76 0.00 0.00 0.00 174.94 174.52 3e7n s LEU 133 N 1.91 4.27 -0.16 2.97 1.43 0.55 -0.68 118.68 128.96 3e7n s LEU 133 Ca 0.11 0.31 -0.05 0.00 -1.03 0.00 0.00 54.13 53.47 3e7n s LEU 133 Cb -0.16 -2.08 -0.03 0.00 0.03 0.00 0.00 46.19 43.95 3e7n s LEU 133 CO 0.10 0.26 -0.01 0.00 0.23 0.00 0.00 176.35 176.93 3e7n s ALA 135 N 0.36 3.40 -0.25 0.00 0.00 -0.41 -0.60 121.76 124.26 3e7n s ALA 135 Ca -0.02 0.89 -0.32 0.00 0.00 0.00 0.00 51.96 52.50 3e7n s ALA 135 Cb -0.14 -3.40 0.17 0.00 0.00 0.00 0.00 23.12 19.76 3e7n s ALA 135 CO 0.02 -0.32 1.29 0.20 0.00 0.00 0.00 175.76 176.95 3e7n s GLY 136 N 0.19 -0.07 0.17 0.00 0.00 -0.62 -1.29 107.32 105.70 3e7n s GLY 136 Ca 0.52 2.35 0.03 0.00 0.00 0.00 0.00 44.72 47.62 3e7n s GLY 136 CO 0.35 0.91 -0.02 -1.34 0.00 0.00 0.00 173.10 172.99 3e7n s VAL 137 N -1.48 0.83 -2.46 1.40 -7.23 -1.26 -3.79 120.40 106.41 3e7n s VAL 137 Ca 0.08 -2.00 0.20 0.00 -1.81 0.00 0.00 61.98 58.45 3e7n s VAL 137 Cb -0.01 -2.08 0.16 0.00 0.56 0.00 0.00 36.38 35.01 3e7n s VAL 137 CO -0.05 -0.53 1.12 1.07 -0.31 0.00 0.00 175.10 176.40