#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 -2.19 0.00 4.81 -1.26 -5.04 118.16 114.48 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 35.04 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 3.79 0.00 1.64 1.02 -1.26 -4.82 119.74 120.10 3e7n s LYS 3 Ca 0.00 1.89 0.00 0.00 0.02 0.00 0.00 55.97 57.88 3e7n s LYS 3 Cb 0.00 -2.50 0.00 0.00 -0.52 0.00 0.00 37.83 34.81 3e7n s LYS 3 CO 0.00 -0.56 0.00 0.41 -0.92 0.00 0.00 175.35 174.28 3e7n n GLY 4 N 0.55 -1.17 0.00 -3.33 0.00 -1.26 -4.84 105.19 95.14 3e7n n GLY 4 Ca 0.06 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 43.98 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 -2.93 2.61 -2.24 -1.26 -4.88 114.28 105.57 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 1.05 -0.03 0.00 -2.10 0.00 0.00 70.33 69.26 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 -0.55 4.70 -0.12 2.28 1.01 -1.26 -4.87 120.40 121.58 3e7n s VAL 6 Ca 0.00 -1.43 0.17 0.00 0.00 0.00 0.00 61.98 60.72 3e7n s VAL 6 Cb 0.00 -4.75 -0.16 0.00 0.00 0.00 0.00 36.38 31.46 3e7n s VAL 6 CO 0.00 -1.48 0.72 0.18 0.00 0.00 0.00 175.10 174.52 3e7n n LEU 7 N 6.63 0.71 -4.74 3.92 4.77 -1.26 -4.83 117.00 122.21 3e7n n LEU 7 Ca 0.19 0.32 -0.41 0.00 -0.03 0.00 0.00 56.01 56.07 3e7n n LEU 7 Cb 0.48 0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.66 3e7n n LEU 7 CO 0.52 0.18 1.08 0.21 -1.33 0.00 0.00 177.39 178.05 3e7n s ASN 8 N -5.67 6.74 0.15 -1.43 3.84 -1.26 -4.93 114.94 112.38 3e7n s ASN 8 Ca -0.04 2.54 -0.12 0.00 0.21 0.00 0.00 52.86 55.46 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 0.82 -0.66 1.60 0.77 -2.79 0.00 0.00 177.10 176.84 3e7n h SER 9 N 5.52 0.90 -0.19 -4.21 4.64 -1.99 -1.65 113.55 116.57 3e7n h SER 9 Ca -0.45 -0.32 -0.14 0.00 -0.47 0.00 0.00 61.79 60.41 3e7n h SER 9 Cb 1.21 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 3e7n h SER 9 CO 0.80 1.00 -0.44 -0.33 -0.87 0.00 0.00 176.83 176.99 3e7n h GLU 10 N 0.78 0.64 -0.47 4.77 4.39 -1.99 -1.03 114.58 121.67 3e7n h GLU 10 Ca 0.14 -0.43 -0.00 0.00 0.34 0.00 0.00 59.36 59.41 3e7n h GLU 10 Cb 0.55 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.24 3e7n h GLU 10 CO 0.03 1.05 0.28 0.82 -1.16 0.00 0.00 179.01 180.03 3e7n h ILE 11 N 0.32 1.14 -0.53 3.13 2.04 -1.96 -0.58 117.51 121.07 3e7n h ILE 11 Ca -0.00 -0.33 0.02 0.00 1.00 0.00 0.00 64.86 65.55 3e7n h ILE 11 Cb 1.05 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 3e7n h ILE 11 CO 0.10 0.15 0.34 0.28 0.00 0.00 0.00 178.15 179.01 3e7n h SER 12 N 0.62 0.56 0.10 1.72 0.02 -1.23 -1.50 113.55 113.84 3e7n h SER 12 Ca 0.17 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 3e7n h SER 12 Cb -0.01 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.41 3e7n h SER 12 CO -0.03 0.40 -0.05 -1.28 -1.14 0.00 0.00 176.83 174.73 3e7n h SER 13 N 0.68 -0.12 -0.48 3.07 0.87 -0.74 -2.20 113.55 114.62 3e7n h SER 13 Ca 0.20 -0.03 -0.06 0.00 -1.23 0.00 0.00 61.79 60.68 3e7n h SER 13 Cb -0.03 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 3e7n h SER 13 CO -0.07 -0.05 0.09 1.62 -0.53 0.00 0.00 176.83 177.89 3e7n h VAL 14 N -0.18 1.25 -0.94 2.23 3.04 -0.94 -2.73 116.25 117.98 3e7n h VAL 14 Ca -0.01 -0.90 0.01 0.00 -1.01 0.00 0.00 66.70 64.79 3e7n h VAL 14 Cb 0.14 0.90 -0.05 0.00 -2.01 0.00 0.00 31.29 30.27 3e7n h VAL 14 CO 0.02 0.32 0.62 0.40 -1.01 0.00 0.00 177.57 177.93 3e7n h ILE 15 N 0.67 1.23 0.00 3.17 2.04 -1.21 -1.30 117.51 122.11 3e7n h ILE 15 Ca 0.15 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.58 3e7n h ILE 15 Cb 0.38 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.32 3e7n h ILE 15 CO 0.01 0.23 0.00 -1.54 0.00 0.00 0.00 178.15 176.85 3e7n n SER 16 N -4.40 0.17 -0.65 1.72 3.41 -0.83 -2.25 113.62 110.78 3e7n n SER 16 Ca 0.11 0.53 0.11 0.00 -0.26 0.00 0.00 58.87 59.37 3e7n n SER 16 Cb 0.03 -0.57 0.03 0.00 -0.26 0.00 0.00 64.21 63.44 3e7n n SER 16 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3e7n n ARG 17 N -1.68 1.60 -2.19 4.33 1.74 -0.51 -4.99 116.66 114.96 3e7n n ARG 17 Ca 0.04 -1.32 -0.40 0.00 -0.77 0.00 0.00 57.85 55.41 3e7n n ARG 17 Cb 0.25 -1.47 -0.02 0.00 -1.02 0.00 0.00 32.46 30.20 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 -2.30 4.40 0.47 0.55 1.43 -0.95 -5.06 118.68 117.22 3e7n s LEU 18 Ca 0.22 2.57 0.04 0.00 -1.03 0.00 0.00 54.13 55.93 3e7n s LEU 18 Cb 0.19 -3.71 -0.04 0.00 0.03 0.00 0.00 46.19 42.65 3e7n s LEU 18 CO 0.47 -0.51 0.04 -0.83 0.23 0.00 0.00 176.35 175.75 3e7n s GLY 19 N -0.66 2.75 0.11 -3.19 0.00 -1.26 -5.05 107.32 100.02 3e7n s GLY 19 Ca 0.50 -1.28 -0.35 0.00 0.00 0.00 0.00 44.72 43.59 3e7n s GLY 19 CO 0.49 -2.13 1.53 1.57 0.00 0.00 0.00 173.10 174.55 3e7n n HIS 20 N -1.17 2.04 -0.15 1.90 -0.00 -1.26 -1.46 115.22 115.12 3e7n n HIS 20 Ca -0.12 0.37 0.00 0.00 0.46 0.00 0.00 57.72 58.44 3e7n n HIS 20 Cb 0.67 -2.48 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 3.27 0.00 -1.79 3.57 -2.24 -0.19 -4.99 114.28 111.92 3e7n n THR 21 Ca 0.18 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.59 3e7n n THR 21 Cb 0.25 -0.00 0.05 0.00 -2.10 0.00 0.00 70.33 68.54 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 4.90 0.20 3.42 1.01 -0.53 -4.68 116.67 117.22 3e7n s ASP 22 Ca 0.00 2.65 0.10 0.00 0.71 0.00 0.00 52.55 56.02 3e7n s ASP 22 Cb 0.00 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.26 3e7n s ASP 22 CO 0.00 -1.81 -0.17 0.42 0.21 0.00 0.00 175.17 173.82 3e7n s THR 23 N -1.38 2.74 -0.03 -1.27 -4.23 -1.26 -1.07 115.64 109.14 3e7n s THR 23 Ca 0.78 -1.94 0.01 0.00 -1.18 0.00 0.00 61.69 59.37 3e7n s THR 23 Cb -0.38 -2.36 0.01 0.00 1.34 0.00 0.00 72.50 71.12 3e7n s THR 23 CO 0.42 -0.17 -0.05 -0.22 -0.54 0.00 0.00 174.62 174.06 3e7n s LEU 24 N -2.90 1.56 -0.11 4.79 2.96 -0.38 -1.09 118.68 123.52 3e7n s LEU 24 Ca 0.24 -0.12 -0.02 0.00 -0.22 0.00 0.00 54.13 54.01 3e7n s LEU 24 Cb -0.08 -0.40 -0.03 0.00 0.50 0.00 0.00 46.19 46.18 3e7n s LEU 24 CO 0.13 -0.01 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.44 3e7n s VAL 25 N 0.54 4.12 -0.18 1.68 1.01 -0.46 -0.66 120.40 126.44 3e7n s VAL 25 Ca -0.07 -0.31 -0.03 0.00 0.00 0.00 0.00 61.98 61.58 3e7n s VAL 25 Cb -0.10 -2.75 -0.01 0.00 0.00 0.00 0.00 36.38 33.51 3e7n s VAL 25 CO 0.00 0.56 -0.07 -0.69 0.00 0.00 0.00 175.10 174.90 3e7n s VAL 26 N -0.41 3.33 0.30 2.92 1.01 -0.41 0.34 120.40 127.47 3e7n s VAL 26 Ca 0.07 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.55 3e7n s VAL 26 Cb -0.12 -2.47 -0.06 0.00 0.00 0.00 0.00 36.38 33.73 3e7n s VAL 26 CO 0.02 0.47 0.07 0.00 0.00 0.00 0.00 175.10 175.65 3e7n s ASP 28 N -3.42 4.00 0.28 0.00 1.47 -0.90 -0.94 116.67 117.16 3e7n s ASP 28 Ca 0.36 -0.23 0.23 0.00 1.18 0.00 0.00 52.55 54.09 3e7n s ASP 28 Cb 0.08 -0.04 1.03 0.00 -0.34 0.00 0.00 42.92 43.65 3e7n s ASP 28 CO 0.15 -2.11 1.70 0.00 0.68 0.00 0.00 175.17 175.59 3e7n n ALA 29 N -3.08 1.50 0.49 2.11 0.00 -0.23 -3.03 120.51 118.28 3e7n n ALA 29 Ca 0.15 0.12 0.06 0.00 0.00 0.00 0.00 53.44 53.77 3e7n n ALA 29 Cb 0.60 -1.37 0.03 0.00 0.00 0.00 0.00 19.45 18.71 3e7n n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3e7n n GLY 30 N -0.33 -0.22 3.72 0.00 0.00 -1.26 -5.01 105.19 102.09 3e7n n GLY 30 Ca 0.01 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.26 4.38 0.51 0.99 2.96 -1.17 -5.00 118.68 120.09 3e7n s LEU 31 Ca 0.12 2.22 -0.21 0.00 -0.22 0.00 0.00 54.13 56.04 3e7n s LEU 31 Cb 0.09 -3.59 -0.06 0.00 0.50 0.00 0.00 46.19 43.13 3e7n s LEU 31 CO 0.20 -0.57 1.17 -2.16 -1.32 0.00 0.00 176.35 173.67 3e7n s PRO 32 N 0.93 3.50 -0.23 0.98 0.04 -1.26 -4.98 135.00 133.97 3e7n s PRO 32 Ca 0.61 1.74 0.02 0.00 0.04 0.00 0.00 61.00 63.41 3e7n s PRO 32 Cb -0.34 -2.20 0.04 0.00 0.04 0.00 0.00 34.50 32.04 3e7n s PRO 32 CO 0.31 -0.76 -0.14 0.42 0.04 0.00 0.00 177.00 176.87 3e7n s ILE 33 N -1.62 2.19 0.59 0.56 1.01 -1.26 -5.09 121.20 117.58 3e7n s ILE 33 Ca 0.69 -1.34 -0.19 0.00 0.00 0.00 0.00 60.65 59.81 3e7n s ILE 33 Cb -0.28 -2.15 -0.04 0.00 0.01 0.00 0.00 42.46 40.01 3e7n s ILE 33 CO 0.32 0.19 1.21 -2.16 0.00 0.00 0.00 174.94 174.50 3e7n s PRO 34 N 1.19 2.96 0.00 2.79 0.05 -1.26 -4.92 135.00 135.81 3e7n s PRO 34 Ca -0.03 1.84 0.24 0.00 0.05 0.00 0.00 61.00 63.10 3e7n s PRO 34 Cb -0.17 -1.93 1.16 0.00 0.05 0.00 0.00 34.50 33.60 3e7n s PRO 34 CO -0.08 -1.22 1.79 0.27 0.05 0.00 0.00 177.00 177.81 3e7n n ASN 35 N -1.58 0.00 0.00 6.66 0.23 -1.26 -2.53 115.26 116.77 3e7n n ASN 35 Ca 0.14 0.10 0.10 0.00 -0.53 0.00 0.00 54.58 54.38 3e7n n ASN 35 Cb 0.49 -0.35 0.56 0.00 -2.08 0.00 0.00 39.78 38.41 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 -1.35 0.00 -4.07 0.53 3.41 -1.26 -4.84 113.62 106.04 3e7n n SER 36 Ca 0.10 -1.40 -0.13 0.00 -0.26 0.00 0.00 58.87 57.18 3e7n n SER 36 Cb 0.22 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.05 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 0.54 0.30 6.66 -1.32 -1.05 -4.91 115.64 113.87 3e7n s THR 37 Ca 0.29 -1.15 -0.29 0.00 -1.21 0.00 0.00 61.69 59.33 3e7n s THR 37 Cb 0.13 -0.70 -0.10 0.00 -1.51 0.00 0.00 72.50 70.33 3e7n s THR 37 CO 0.22 -0.43 1.16 0.00 -2.21 0.00 0.00 174.62 173.36 3e7n s ALA 38 N -1.58 3.41 -0.30 11.08 0.00 -1.21 -4.86 121.76 128.29 3e7n s ALA 38 Ca -0.08 0.99 -0.08 0.00 0.00 0.00 0.00 51.96 52.79 3e7n s ALA 38 Cb -0.09 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.67 3e7n s ALA 38 CO -0.00 -0.31 0.12 0.50 0.00 0.00 0.00 175.76 176.07 3e7n s ARG 39 N -1.62 3.23 -0.40 0.00 3.52 -1.26 -0.75 118.95 121.66 3e7n s ARG 39 Ca 0.47 -0.78 -0.05 0.00 -0.13 0.00 0.00 55.73 55.24 3e7n s ARG 39 Cb -0.34 -3.47 0.10 0.00 -1.56 0.00 0.00 34.95 29.67 3e7n s ARG 39 CO 0.44 -0.43 0.20 0.42 -0.81 0.00 0.00 175.30 175.12 3e7n s ILE 40 N 1.56 3.55 0.23 4.11 1.01 -0.31 -4.97 121.20 126.39 3e7n s ILE 40 Ca 0.04 -1.79 -0.01 0.00 0.00 0.00 0.00 60.65 58.89 3e7n s ILE 40 Cb -0.17 -3.31 -0.04 0.00 0.01 0.00 0.00 42.46 38.95 3e7n s ILE 40 CO 0.04 -0.58 0.44 -0.62 0.00 0.00 0.00 174.94 174.22 3e7n s ASP 41 N 1.90 6.39 0.17 3.58 2.15 -1.26 -0.64 116.67 128.96 3e7n s ASP 41 Ca 0.05 0.46 0.00 0.00 0.43 0.00 0.00 52.55 53.49 3e7n s ASP 41 Cb -0.23 -2.04 0.00 0.00 -0.30 0.00 0.00 42.92 40.36 3e7n s ASP 41 CO -0.02 -0.09 0.00 0.00 -0.17 0.00 0.00 175.17 174.89 3e7n n ALA 43 N -0.82 -2.25 -0.12 3.66 0.00 -0.78 -4.94 120.51 115.26 3e7n n ALA 43 Ca -0.04 0.37 -0.23 0.00 0.00 0.00 0.00 53.44 53.54 3e7n n ALA 43 Cb 0.54 -1.25 -0.09 0.00 0.00 0.00 0.00 19.45 18.66 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 1.93 -3.86 0.00 7.94 -0.06 -4.94 117.00 119.46 3e7n n LEU 44 Ca 0.00 0.37 -0.09 0.00 -1.11 0.00 0.00 56.01 55.18 3e7n n LEU 44 Cb 0.00 -0.84 0.00 0.00 0.53 0.00 0.00 43.42 43.11 3e7n n LEU 44 CO 0.00 0.30 0.46 0.28 -1.11 0.00 0.00 177.39 177.32 3e7n s THR 45 N -2.53 0.00 -0.20 1.96 -1.32 -1.02 -5.04 115.64 107.49 3e7n s THR 45 Ca -0.34 -1.08 -0.39 0.00 -1.21 0.00 0.00 61.69 58.67 3e7n s THR 45 Cb 0.10 -2.64 -0.15 0.00 -1.51 0.00 0.00 72.50 68.30 3e7n s THR 45 CO 0.48 0.00 1.70 0.00 -2.21 0.00 0.00 174.62 174.59 3e7n n GLN 46 N -0.51 1.29 -0.93 7.08 3.00 -1.26 -1.17 117.38 124.87 3e7n n GLN 46 Ca -0.06 0.47 0.00 0.00 -0.01 0.00 0.00 57.00 57.40 3e7n n GLN 46 Cb 0.60 -2.17 0.00 0.00 0.00 0.00 0.00 30.24 28.67 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 3.97 0.83 2.87 1.08 0.00 0.46 -4.99 105.19 109.42 3e7n n GLY 47 Ca 0.25 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.48 1.13 0.66 1.61 1.01 -0.32 -2.67 120.40 118.34 3e7n s VAL 48 Ca 0.00 -0.82 -0.11 0.00 0.00 0.00 0.00 61.98 61.05 3e7n s VAL 48 Cb 0.00 -1.41 -0.02 0.00 0.00 0.00 0.00 36.38 34.95 3e7n s VAL 48 CO 0.00 -0.03 1.05 -2.16 0.00 0.00 0.00 175.10 173.97 3e7n s PRO 49 N 1.60 3.30 0.77 2.72 0.04 -1.26 -0.88 135.00 141.29 3e7n s PRO 49 Ca -0.02 0.68 -0.11 0.00 0.04 0.00 0.00 61.00 61.59 3e7n s PRO 49 Cb -0.17 -2.05 0.05 0.00 0.04 0.00 0.00 34.50 32.37 3e7n s PRO 49 CO -0.07 -0.77 1.08 -1.54 0.04 0.00 0.00 177.00 175.74 3e7n s SER 50 N -4.20 4.69 0.00 6.66 1.04 -1.09 -0.52 113.70 120.29 3e7n s SER 50 Ca 0.56 1.55 0.00 0.00 0.48 0.00 0.00 55.95 58.54 3e7n s SER 50 Cb -0.11 -2.32 0.00 0.00 0.10 0.00 0.00 66.02 63.68 3e7n s SER 50 CO 0.53 -1.87 0.00 0.33 0.98 0.00 0.00 173.24 173.21 3e7n n PHE 51 N -3.40 0.00 0.00 5.02 7.35 -1.26 -2.26 117.46 122.92 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 0.35 0.00 -0.04 -4.13 6.02 -1.26 -1.26 117.38 117.07 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 -0.08 0.00 1.02 0.00 0.00 30.24 31.18 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 -0.48 5.09 2.07 -1.81 -1.95 116.25 120.49 3e7n h VAL 54 Ca 0.00 -1.10 0.04 0.00 0.82 0.00 0.00 66.70 66.46 3e7n h VAL 54 Cb 0.00 1.84 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 3e7n h VAL 54 CO 0.00 0.31 0.26 0.58 0.02 0.00 0.00 177.57 178.74 3e7n h VAL 55 N -0.15 0.99 -0.05 2.57 2.07 -1.46 -0.36 116.25 119.85 3e7n h VAL 55 Ca 0.02 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 67.38 3e7n h VAL 55 Cb 0.52 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 3e7n h VAL 55 CO 0.02 0.09 -0.04 -0.78 0.02 0.00 0.00 177.57 176.88 3e7n h ASP 56 N 0.51 -0.12 -0.36 0.57 3.58 -1.80 -1.42 116.42 117.38 3e7n h ASP 56 Ca 0.21 0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.64 3e7n h ASP 56 Cb 0.09 0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 3e7n h ASP 56 CO -0.13 -0.05 0.06 0.58 -2.88 0.00 0.00 179.24 176.82 3e7n h VAL 57 N -0.04 1.24 -0.69 2.25 2.07 -0.91 -2.43 116.25 117.73 3e7n h VAL 57 Ca 0.03 -0.84 0.06 0.00 0.82 0.00 0.00 66.70 66.78 3e7n h VAL 57 Cb 0.09 1.08 -0.06 0.00 -1.52 0.00 0.00 31.29 30.89 3e7n h VAL 57 CO -0.08 0.28 0.39 0.58 0.02 0.00 0.00 177.57 178.77 3e7n h VAL 58 N 0.44 0.98 0.00 2.57 2.07 -0.97 -2.43 116.25 118.91 3e7n h VAL 58 Ca 0.11 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.38 3e7n h VAL 58 Cb 0.35 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 3e7n h VAL 58 CO 0.01 0.13 0.00 0.35 0.02 0.00 0.00 177.57 178.08 3e7n n THR 59 N -4.77 0.20 0.23 2.57 -2.24 -0.54 -2.17 114.28 107.56 3e7n n THR 59 Ca 0.09 0.05 0.10 0.00 -2.27 0.00 0.00 64.05 62.02 3e7n n THR 59 Cb 0.18 -0.61 0.52 0.00 -2.10 0.00 0.00 70.33 68.31 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 -1.09 -0.78 3.08 -0.95 -3.45 114.38 111.19 3e7n h ARG 60 Ca 0.00 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.42 3e7n h ARG 60 Cb 0.39 0.00 -0.35 0.00 0.08 0.00 0.00 29.97 30.08 3e7n h ARG 60 CO 0.00 0.23 0.09 -1.91 -1.07 0.00 0.00 179.97 177.31 3e7n n GLU 61 N -3.53 3.12 -3.68 0.04 2.13 -0.92 -5.08 120.64 112.71 3e7n n GLU 61 Ca -0.01 -3.78 -0.24 0.00 0.66 0.00 0.00 57.16 53.79 3e7n n GLU 61 Cb 0.38 -2.28 -0.17 0.00 0.27 0.00 0.00 31.44 29.64 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 -3.74 0.22 -0.18 5.31 -1.52 -1.26 -5.05 119.66 113.44 3e7n s GLN 63 Ca 0.56 0.05 -0.06 0.00 -1.95 0.00 0.00 55.36 53.97 3e7n s GLN 63 Cb 0.45 -1.27 -0.03 0.00 -0.22 0.00 0.00 33.01 31.94 3e7n s GLN 63 CO -0.06 -0.48 0.02 0.08 -0.25 0.00 0.00 175.29 174.60 3e7n s VAL 64 N 2.07 4.26 -0.14 1.09 1.01 -1.25 -1.52 120.40 125.93 3e7n s VAL 64 Ca 0.03 -0.22 0.14 0.00 0.00 0.00 0.00 61.98 61.94 3e7n s VAL 64 Cb -0.14 -2.92 -0.20 0.00 0.00 0.00 0.00 36.38 33.12 3e7n s VAL 64 CO -0.06 0.45 0.36 -1.84 0.00 0.00 0.00 175.10 174.01 3e7n n GLU 65 N 3.84 0.83 -3.48 2.72 0.28 0.24 -4.69 120.64 120.38 3e7n n GLU 65 Ca -0.17 -0.10 -0.12 0.00 -0.16 0.00 0.00 57.16 56.61 3e7n n GLU 65 Cb 0.52 -1.30 -0.03 0.00 1.43 0.00 0.00 31.44 32.07 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 -2.84 -1.42 -0.01 -1.84 0.00 -1.20 -2.23 121.76 112.22 3e7n s ALA 66 Ca -0.03 0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.31 3e7n s ALA 66 Cb 0.09 0.80 0.01 0.00 0.00 0.00 0.00 23.12 24.02 3e7n s ALA 66 CO 0.58 -0.72 -0.01 0.00 0.00 0.00 0.00 175.76 175.61 3e7n s ALA 67 N -3.67 0.16 -0.03 0.00 0.00 0.85 -0.79 121.76 118.28 3e7n s ALA 67 Ca 0.01 0.03 0.06 0.00 0.00 0.00 0.00 51.96 52.06 3e7n s ALA 67 Cb -0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 3e7n s ALA 67 CO -0.12 -0.01 -0.20 0.42 0.00 0.00 0.00 175.76 175.85 3e7n s ILE 68 N 0.33 2.57 0.12 0.00 1.01 0.47 -1.79 121.20 123.92 3e7n s ILE 68 Ca -0.03 -0.92 0.03 0.00 0.00 0.00 0.00 60.65 59.74 3e7n s ILE 68 Cb -0.05 -1.96 -0.04 0.00 0.01 0.00 0.00 42.46 40.42 3e7n s ILE 68 CO -0.01 0.58 -0.09 -0.76 0.00 0.00 0.00 174.94 174.67 3e7n s LEU 69 N -0.68 2.52 0.23 2.97 1.43 -0.33 -1.34 118.68 123.47 3e7n s LEU 69 Ca 0.11 -1.00 -0.30 0.00 -1.03 0.00 0.00 54.13 51.91 3e7n s LEU 69 Cb -0.10 -0.23 -0.09 0.00 0.03 0.00 0.00 46.19 45.80 3e7n s LEU 69 CO -0.00 -0.39 1.09 0.00 0.23 0.00 0.00 176.35 177.29 3e7n s ALA 70 N -3.43 3.39 0.47 4.21 0.00 -1.26 -1.29 121.76 123.85 3e7n s ALA 70 Ca 0.14 0.85 0.16 0.00 0.00 0.00 0.00 51.96 53.11 3e7n s ALA 70 Cb 0.04 -3.33 1.13 0.00 0.00 0.00 0.00 23.12 20.95 3e7n s ALA 70 CO -0.02 -0.17 2.01 1.15 0.00 0.00 0.00 175.76 178.73 3e7n h THR 71 N 3.42 0.88 -0.46 0.00 2.02 -1.04 -2.33 112.91 115.40 3e7n h THR 71 Ca -0.45 -0.09 0.13 0.00 0.77 0.00 0.00 66.41 66.77 3e7n h THR 71 Cb 1.21 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 68.19 3e7n h THR 71 CO 0.70 0.05 0.38 -0.33 0.37 0.00 0.00 175.52 176.69 3e7n h GLU 72 N 0.27 0.00 -0.27 6.66 3.07 -1.92 -2.24 114.58 120.15 3e7n h GLU 72 Ca 0.23 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.07 3e7n h GLU 72 Cb 0.55 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.45 3e7n h GLU 72 CO -0.05 0.00 0.08 0.97 -1.40 0.00 0.00 179.01 178.61 3e7n h ILE 73 N 0.00 1.13 -0.03 3.13 2.10 -1.70 -1.72 117.51 120.42 3e7n h ILE 73 Ca 0.22 -0.43 0.01 0.00 1.08 0.00 0.00 64.86 65.74 3e7n h ILE 73 Cb 0.98 0.84 -0.02 0.00 -1.09 0.00 0.00 36.82 37.53 3e7n h ILE 73 CO -0.00 0.16 -0.06 0.11 -1.08 0.00 0.00 178.15 177.28 3e7n h LYS 74 N 0.38 -0.08 0.17 2.19 1.57 -1.61 -0.81 116.57 118.38 3e7n h LYS 74 Ca 0.09 0.01 -0.31 0.00 -1.87 0.00 0.00 60.65 58.57 3e7n h LYS 74 Cb 0.13 0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.47 3e7n h LYS 74 CO -0.01 -0.06 -1.43 1.96 -0.57 0.00 0.00 179.45 179.35 3e7n h GLN 75 N -0.09 0.36 -0.00 3.15 1.08 -1.73 -3.33 115.11 114.54 3e7n h GLN 75 Ca 0.03 -0.61 0.00 0.00 -1.45 0.00 0.00 58.65 56.62 3e7n h GLN 75 Cb 0.13 0.23 0.00 0.00 -0.05 0.00 0.00 27.48 27.79 3e7n h GLN 75 CO -0.08 1.27 -0.90 1.04 -0.95 0.00 0.00 178.83 179.21 3e7n n GLN 76 N -3.57 0.39 -2.90 1.46 6.02 -0.65 -4.48 117.38 113.64 3e7n n GLN 76 Ca -0.14 -0.11 -0.12 0.00 -0.01 0.00 0.00 57.00 56.61 3e7n n GLN 76 Cb 1.06 -1.46 0.04 0.00 1.02 0.00 0.00 30.24 30.90 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 -1.32 -0.91 -0.05 1.08 4.05 -0.32 -4.68 115.26 113.12 3e7n n ASN 77 Ca 0.04 -3.31 -0.02 0.00 0.45 0.00 0.00 54.58 51.74 3e7n n ASN 77 Cb 0.33 0.77 0.24 0.00 1.23 0.00 0.00 39.78 42.36 3e7n n ASN 77 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 3e7n h PRO 78 N 2.94 0.64 -0.33 1.20 0.13 -1.66 -0.56 132.00 134.36 3e7n h PRO 78 Ca -0.03 -0.15 -0.14 0.00 -0.87 0.00 0.00 66.00 64.81 3e7n h PRO 78 Cb 1.07 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.10 3e7n h PRO 78 CO 0.28 0.65 -0.35 -0.56 -0.23 0.00 0.00 178.00 177.79 3e7n h GLN 79 N 0.61 0.74 -0.35 0.86 3.07 -1.91 0.14 115.11 118.27 3e7n h GLN 79 Ca 0.13 -0.36 -0.09 0.00 0.09 0.00 0.00 58.65 58.42 3e7n h GLN 79 Cb 0.37 -0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.91 3e7n h GLN 79 CO 0.01 0.97 -0.14 1.25 0.09 0.00 0.00 178.83 181.02 3e7n h LEU 80 N 0.62 0.73 -0.31 0.06 5.85 -1.86 -1.91 115.31 118.48 3e7n h LEU 80 Ca 0.06 -0.39 0.07 0.00 0.84 0.00 0.00 57.88 58.46 3e7n h LEU 80 Cb 0.89 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 41.64 3e7n h LEU 80 CO 0.08 0.96 -0.16 -0.74 -0.34 0.00 0.00 178.44 178.23 3e7n h HIS 81 N 0.50 -0.40 0.29 1.25 2.76 -0.85 -0.78 115.15 117.92 3e7n h HIS 81 Ca 0.08 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.29 3e7n h HIS 81 Cb 0.66 0.22 -0.04 0.00 1.55 0.00 0.00 27.41 29.81 3e7n h HIS 81 CO 0.06 -0.24 -0.48 0.93 -1.30 0.00 0.00 177.93 176.90 3e7n h GLU 82 N -0.12 -0.80 -0.84 5.26 5.08 -0.58 -1.49 114.58 121.09 3e7n h GLU 82 Ca 0.16 0.05 0.13 0.00 -1.00 0.00 0.00 59.36 58.71 3e7n h GLU 82 Cb 0.36 0.18 -0.06 0.00 0.50 0.00 0.00 28.75 29.73 3e7n h GLU 82 CO -0.38 -0.53 0.55 1.15 -1.00 0.00 0.00 179.01 178.79 3e7n h THR 83 N -0.83 0.85 -0.30 1.13 2.02 -0.91 0.75 112.91 115.63 3e7n h THR 83 Ca -0.02 -0.22 -0.09 0.00 0.77 0.00 0.00 66.41 66.85 3e7n h THR 83 Cb 0.78 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 3e7n h THR 83 CO -0.17 0.12 -0.18 0.25 0.37 0.00 0.00 175.52 175.91 3e7n h LEU 84 N 0.64 0.67 -0.50 2.58 5.85 -0.85 -1.81 115.31 121.88 3e7n h LEU 84 Ca 0.41 -0.42 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 3e7n h LEU 84 Cb 0.69 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 3e7n h LEU 84 CO -0.17 0.95 0.29 -0.07 -0.34 0.00 0.00 178.44 179.09 3e7n h LEU 85 N 0.39 0.62 -0.46 2.25 3.38 0.17 -0.53 115.31 121.12 3e7n h LEU 85 Ca 0.06 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.00 3e7n h LEU 85 Cb 0.71 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 3e7n h LEU 85 CO 0.05 0.51 0.23 0.74 0.09 0.00 0.00 178.44 180.06 3e7n h THR 86 N 0.67 0.96 -0.49 0.22 2.02 -1.19 0.29 112.91 115.39 3e7n h THR 86 Ca 0.18 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 3e7n h THR 86 Cb 0.02 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 3e7n h THR 86 CO -0.03 0.08 0.25 -0.74 0.37 0.00 0.00 175.52 175.46 3e7n h HIS 87 N 0.45 0.70 -0.07 3.16 -0.00 -0.93 -1.47 115.15 116.99 3e7n h HIS 87 Ca 0.20 -0.03 -0.06 0.00 -0.00 0.00 0.00 60.37 60.49 3e7n h HIS 87 Cb 0.11 -0.22 -0.01 0.00 -0.00 0.00 0.00 27.41 27.29 3e7n h HIS 87 CO -0.10 0.53 -0.21 -0.07 -0.00 0.00 0.00 177.93 178.08 3e7n h LEU 88 N 0.65 0.11 -0.35 0.26 3.38 -0.75 0.65 115.31 119.26 3e7n h LEU 88 Ca 0.17 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 3e7n h LEU 88 Cb 0.09 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3e7n h LEU 88 CO -0.02 0.33 0.07 -0.33 0.09 0.00 0.00 178.44 178.58 3e7n h GLU 89 N 0.10 0.56 -0.25 1.13 5.08 -0.33 -1.86 114.58 119.02 3e7n h GLU 89 Ca 0.02 -0.14 -0.15 0.00 -1.00 0.00 0.00 59.36 58.09 3e7n h GLU 89 Cb 0.44 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 3e7n h GLU 89 CO 0.03 0.62 -0.45 1.96 -1.00 0.00 0.00 179.01 180.18 3e7n h GLN 90 N 0.41 0.64 -0.16 2.33 4.20 -0.74 -2.73 115.11 119.06 3e7n h GLN 90 Ca 0.11 -0.35 -0.00 0.00 0.06 0.00 0.00 58.65 58.46 3e7n h GLN 90 Cb 0.32 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 3e7n h GLN 90 CO 0.00 0.96 0.08 1.25 -0.67 0.00 0.00 178.83 180.45 3e7n h LEU 91 N 0.51 0.20 -1.24 1.46 5.85 -0.82 -1.22 115.31 120.06 3e7n h LEU 91 Ca 0.03 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 3e7n h LEU 91 Cb 0.98 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.94 3e7n h LEU 91 CO 0.09 0.25 0.15 0.06 -0.34 0.00 0.00 178.44 178.65 3e7n h GLN 92 N 0.14 0.68 -0.18 1.25 3.07 -1.31 0.18 115.11 118.94 3e7n h GLN 92 Ca 0.05 -0.11 -0.01 0.00 0.09 0.00 0.00 58.65 58.68 3e7n h GLN 92 Cb 0.10 -0.12 -0.01 0.00 0.08 0.00 0.00 27.48 27.53 3e7n h GLN 92 CO -0.01 0.59 0.09 1.96 0.09 0.00 0.00 178.83 181.55 3e7n h GLN 93 N 0.67 0.27 -0.87 0.06 4.20 -1.21 0.20 115.11 118.43 3e7n h GLN 93 Ca 0.16 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.85 3e7n h GLN 93 Cb 0.19 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 27.88 3e7n h GLN 93 CO -0.01 0.30 0.57 1.25 -0.67 0.00 0.00 178.83 180.27 3e7n h HIS 94 N 0.17 1.07 0.00 2.96 2.76 -0.52 -2.69 115.15 118.90 3e7n h HIS 94 Ca 0.06 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.23 3e7n h HIS 94 Cb 0.13 -0.36 -0.00 0.00 1.55 0.00 0.00 27.41 28.72 3e7n h HIS 94 CO -0.02 0.64 -0.14 1.96 -1.30 0.00 0.00 177.93 179.07 3e7n h GLN 95 N 1.13 0.00 -0.51 5.26 4.20 -0.41 -3.47 115.11 121.31 3e7n h GLN 95 Ca 0.34 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.97 3e7n h GLN 95 Cb -0.06 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 3e7n h GLN 95 CO -0.10 0.14 -0.09 0.41 -0.67 0.00 0.00 178.83 178.52 3e7n n GLY 96 N 0.75 0.25 0.12 3.46 0.00 0.59 -4.99 105.19 105.38 3e7n n GLY 96 Ca 0.02 -0.75 -0.01 0.00 0.00 0.00 0.00 46.02 45.29 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 1.29 0.23 -3.93 1.61 6.94 -0.59 -4.99 115.26 115.82 3e7n n ASN 97 Ca -0.04 -1.08 -0.28 0.00 -0.02 0.00 0.00 54.58 53.15 3e7n n ASN 97 Cb 0.50 0.06 -0.17 0.00 -2.36 0.00 0.00 39.78 37.81 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 -1.93 1.21 -0.29 5.53 -1.32 -1.26 -4.35 115.64 113.22 3e7n s THR 98 Ca 0.01 -0.50 -0.24 0.00 -1.21 0.00 0.00 61.69 59.75 3e7n s THR 98 Cb 0.00 -1.25 0.00 0.00 -1.51 0.00 0.00 72.50 69.74 3e7n s THR 98 CO 0.01 0.31 0.82 -0.63 -2.21 0.00 0.00 174.62 172.92 3e7n s ILE 99 N 1.62 4.78 0.05 5.08 1.01 -1.26 -4.87 121.20 127.61 3e7n s ILE 99 Ca 0.03 1.32 -0.30 0.00 0.00 0.00 0.00 60.65 61.70 3e7n s ILE 99 Cb -0.14 -4.16 -0.05 0.00 0.01 0.00 0.00 42.46 38.12 3e7n s ILE 99 CO -0.09 -0.23 1.11 -0.75 0.00 0.00 0.00 174.94 174.98 3e7n s LYS 100 N 2.99 4.50 -0.13 2.79 2.20 -0.95 -4.87 119.74 126.27 3e7n s LYS 100 Ca 0.34 1.64 -0.01 0.00 -0.36 0.00 0.00 55.97 57.57 3e7n s LYS 100 Cb -0.14 -3.38 -0.02 0.00 -1.51 0.00 0.00 37.83 32.78 3e7n s LYS 100 CO 0.12 -0.14 -0.08 0.42 -0.36 0.00 0.00 175.35 175.31 3e7n s ILE 101 N 0.87 3.51 0.11 5.43 1.09 -1.26 -0.10 121.20 130.85 3e7n s ILE 101 Ca 0.55 -0.51 -0.03 0.00 -1.10 0.00 0.00 60.65 59.57 3e7n s ILE 101 Cb -0.26 -2.50 -0.03 0.00 -1.06 0.00 0.00 42.46 38.61 3e7n s ILE 101 CO 0.29 0.52 0.08 -0.94 -0.10 0.00 0.00 174.94 174.80 3e7n s SER 102 N 0.14 0.30 -0.01 3.58 1.04 -0.74 -4.98 113.70 113.03 3e7n s SER 102 Ca -0.04 -1.03 0.05 0.00 0.48 0.00 0.00 55.95 55.41 3e7n s SER 102 Cb -0.14 0.29 -0.01 0.00 0.10 0.00 0.00 66.02 66.26 3e7n s SER 102 CO 0.04 -0.71 -0.17 -0.31 0.98 0.00 0.00 173.24 173.06 3e7n s TYR 103 N -3.98 1.51 0.29 5.02 2.02 -1.26 -1.19 117.35 119.78 3e7n s TYR 103 Ca 0.16 -0.29 0.02 0.00 -0.37 0.00 0.00 57.07 56.59 3e7n s TYR 103 Cb 0.07 -0.97 -0.04 0.00 -0.40 0.00 0.00 41.96 40.62 3e7n s TYR 103 CO -0.04 -0.02 0.13 0.95 -1.57 0.00 0.00 175.55 175.01 3e7n s THR 104 N -0.43 0.44 0.71 -0.71 -4.23 -0.41 -4.88 115.64 106.13 3e7n s THR 104 Ca 0.06 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.42 3e7n s THR 104 Cb -0.07 -2.55 0.03 0.00 1.34 0.00 0.00 72.50 71.25 3e7n s THR 104 CO -0.00 0.00 1.17 0.42 -0.54 0.00 0.00 174.62 175.67 3e7n s THR 105 N -3.64 2.62 0.35 3.99 -4.23 -1.26 -0.41 115.64 113.07 3e7n s THR 105 Ca 0.36 0.30 0.02 0.00 -1.18 0.00 0.00 61.69 61.19 3e7n s THR 105 Cb 0.06 -2.84 0.26 0.00 1.34 0.00 0.00 72.50 71.32 3e7n s THR 105 CO 0.16 -0.17 2.01 -0.74 -0.54 0.00 0.00 174.62 175.34 3e7n h HIS 106 N -0.20 0.79 -0.67 3.99 2.76 -1.93 0.33 115.15 120.22 3e7n h HIS 106 Ca -0.47 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 57.75 3e7n h HIS 106 Cb 1.28 -0.27 -0.05 0.00 1.55 0.00 0.00 27.41 29.93 3e7n h HIS 106 CO 0.50 0.49 0.41 0.93 -1.30 0.00 0.00 177.93 178.96 3e7n h GLU 107 N 0.85 0.76 -0.10 5.26 4.39 -2.00 -0.73 114.58 123.00 3e7n h GLU 107 Ca 0.23 -0.05 -0.18 0.00 0.34 0.00 0.00 59.36 59.71 3e7n h GLU 107 Cb -0.09 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.39 3e7n h GLU 107 CO -0.05 0.50 -0.68 0.37 -1.16 0.00 0.00 179.01 177.99 3e7n h GLN 108 N 0.78 0.43 -0.03 2.33 5.75 -1.73 -2.81 115.11 119.83 3e7n h GLN 108 Ca 0.28 -0.33 0.03 0.00 -0.15 0.00 0.00 58.65 58.49 3e7n h GLN 108 Cb 0.07 0.06 -0.04 0.00 1.07 0.00 0.00 27.48 28.64 3e7n h GLN 108 CO -0.13 0.95 -0.21 0.35 -2.65 0.00 0.00 178.83 177.14 3e7n h PHE 109 N 0.30 -0.56 -0.82 3.99 3.57 -0.48 -1.32 116.94 121.62 3e7n h PHE 109 Ca -0.02 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.61 3e7n h PHE 109 Cb 1.24 0.26 -0.08 0.00 2.79 0.00 0.00 35.95 40.16 3e7n h PHE 109 CO 0.04 -0.30 0.45 0.87 -2.23 0.00 0.00 178.31 177.15 3e7n h LYS 110 N -0.32 0.71 -0.52 1.11 1.57 -1.07 -1.08 116.57 116.97 3e7n h LYS 110 Ca 0.07 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3e7n h LYS 110 Cb 0.42 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 3e7n h LYS 110 CO -0.22 0.47 0.29 0.87 -0.57 0.00 0.00 179.45 180.30 3e7n h LYS 111 N 0.73 0.72 -0.20 3.15 1.57 -1.19 -2.49 116.57 118.86 3e7n h LYS 111 Ca 0.41 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 59.09 3e7n h LYS 111 Cb 0.44 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 3e7n h LYS 111 CO -0.28 0.54 0.04 -0.07 -0.57 0.00 0.00 179.45 179.12 3e7n h LEU 112 N 0.69 0.25 -1.95 2.94 3.38 -0.08 -1.57 115.31 118.97 3e7n h LEU 112 Ca 0.18 -0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.19 3e7n h LEU 112 Cb 0.03 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3e7n h LEU 112 CO -0.03 0.27 0.18 0.71 0.09 0.00 0.00 178.44 179.65 3e7n h THR 113 N 0.28 0.91 0.00 0.22 1.35 -0.84 -1.04 112.91 113.79 3e7n h THR 113 Ca 0.07 -0.02 -0.00 0.00 -0.55 0.00 0.00 66.41 65.91 3e7n h THR 113 Cb 0.13 0.84 -0.00 0.00 -1.73 0.00 0.00 68.15 67.39 3e7n h THR 113 CO -0.00 0.01 -0.00 0.00 -0.25 0.00 0.00 175.52 175.28 3e7n h ALA 114 N 1.87 1.30 -0.17 6.62 0.00 -1.28 -2.23 119.26 125.38 3e7n h ALA 114 Ca 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3e7n h ALA 114 Cb 0.38 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3e7n h ALA 114 CO -0.01 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 178.99 3e7n n ASP 115 N -3.52 3.19 -4.88 0.00 8.00 -0.39 -4.57 116.55 114.38 3e7n n ASP 115 Ca -0.03 -2.00 -0.30 0.00 0.71 0.00 0.00 54.79 53.17 3e7n n ASP 115 Cb 0.08 -0.10 0.03 0.00 -0.02 0.00 0.00 41.12 41.12 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 -1.81 5.71 0.15 -2.24 1.04 -0.84 -4.73 113.70 110.98 3e7n s SER 116 Ca 0.32 1.22 -0.03 0.00 0.48 0.00 0.00 55.95 57.94 3e7n s SER 116 Cb 0.21 -2.10 -0.02 0.00 0.10 0.00 0.00 66.02 64.21 3e7n s SER 116 CO 0.31 -1.18 1.37 1.56 0.98 0.00 0.00 173.24 176.28 3e7n h GLN 117 N -0.53 0.44 -2.44 4.02 1.08 -1.44 -3.44 115.11 112.80 3e7n h GLN 117 Ca -0.45 -0.40 -0.01 0.00 -1.45 0.00 0.00 58.65 56.35 3e7n h GLN 117 Cb 1.23 0.10 -0.16 0.00 -0.05 0.00 0.00 27.48 28.60 3e7n h GLN 117 CO 0.63 1.05 0.27 0.00 -0.95 0.00 0.00 178.83 179.83 3e7n s ALA 118 N -3.49 -1.72 -0.21 3.87 0.00 -1.26 -3.32 121.76 115.63 3e7n s ALA 118 Ca -0.06 0.94 -0.03 0.00 0.00 0.00 0.00 51.96 52.81 3e7n s ALA 118 Cb 0.10 0.39 -0.00 0.00 0.00 0.00 0.00 23.12 23.60 3e7n s ALA 118 CO 0.86 -0.58 -0.08 0.08 0.00 0.00 0.00 175.76 176.03 3e7n s VAL 119 N -2.57 3.07 -0.37 0.00 1.01 0.07 -1.35 120.40 120.26 3e7n s VAL 119 Ca -0.03 -0.60 -0.15 0.00 0.00 0.00 0.00 61.98 61.20 3e7n s VAL 119 Cb -0.01 -2.37 -0.00 0.00 0.00 0.00 0.00 36.38 34.00 3e7n s VAL 119 CO -0.03 0.45 0.36 -0.63 0.00 0.00 0.00 175.10 175.25 3e7n s ILE 120 N 1.36 5.17 -0.21 2.22 1.01 0.15 -1.17 121.20 129.75 3e7n s ILE 120 Ca 0.05 -0.15 -0.20 0.00 0.00 0.00 0.00 60.65 60.35 3e7n s ILE 120 Cb -0.14 -3.87 -0.03 0.00 0.01 0.00 0.00 42.46 38.43 3e7n s ILE 120 CO -0.05 -0.18 0.59 -0.60 0.00 0.00 0.00 174.94 174.70 3e7n s ARG 121 N 1.97 4.19 0.57 2.79 3.52 0.19 -1.29 118.95 130.90 3e7n s ARG 121 Ca 0.10 0.54 0.04 0.00 -0.13 0.00 0.00 55.73 56.28 3e7n s ARG 121 Cb -0.17 -3.58 0.07 0.00 -1.56 0.00 0.00 34.95 29.70 3e7n s ARG 121 CO 0.12 -0.23 0.79 -1.54 -0.81 0.00 0.00 175.30 173.63 3e7n s SER 122 N 1.23 5.07 0.00 -2.12 1.04 -0.11 -1.87 113.70 116.94 3e7n s SER 122 Ca 0.27 -0.39 0.15 0.00 0.48 0.00 0.00 55.95 56.47 3e7n s SER 122 Cb -0.16 -0.33 0.64 0.00 0.10 0.00 0.00 66.02 66.28 3e7n s SER 122 CO 0.10 -1.30 1.45 0.61 0.98 0.00 0.00 173.24 175.08 3e7n n GLY 123 N -2.35 -0.09 3.73 7.32 0.00 0.32 -3.23 105.19 110.89 3e7n n GLY 123 Ca 0.12 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 3e7n n GLY 123 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3e7n n GLU 124 N 0.01 2.74 0.00 1.61 4.07 -1.24 -0.40 120.64 127.43 3e7n n GLU 124 Ca 0.13 0.98 0.05 0.00 -0.06 0.00 0.00 57.16 58.26 3e7n n GLU 124 Cb 0.22 -2.80 -0.03 0.00 -0.06 0.00 0.00 31.44 28.77 3e7n n GLU 124 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3e7n s SER 126 N -1.76 3.96 0.27 0.00 1.04 -1.26 -4.98 113.70 110.97 3e7n s SER 126 Ca 0.06 1.71 -0.29 0.00 0.48 0.00 0.00 55.95 57.91 3e7n s SER 126 Cb 0.08 -2.38 -0.09 0.00 0.10 0.00 0.00 66.02 63.73 3e7n s SER 126 CO 0.36 -2.36 1.00 -2.16 0.98 0.00 0.00 173.24 171.06 3e7n s PRO 127 N -4.90 4.71 -1.49 4.02 0.05 -1.26 -4.07 135.00 132.06 3e7n s PRO 127 Ca 0.62 1.58 -0.05 0.00 0.05 0.00 0.00 61.00 63.20 3e7n s PRO 127 Cb -0.18 -3.14 0.02 0.00 0.05 0.00 0.00 34.50 31.25 3e7n s PRO 127 CO 0.57 0.35 0.46 0.66 0.05 0.00 0.00 177.00 179.09 3e7n n TYR 128 N 1.18 -1.78 -2.12 0.56 4.01 -1.26 -4.56 117.16 113.20 3e7n n TYR 128 Ca -0.01 0.41 -0.42 0.00 -0.16 0.00 0.00 57.90 57.72 3e7n n TYR 128 Cb 0.47 -3.98 0.00 0.00 -0.31 0.00 0.00 39.34 35.52 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 -3.26 5.56 -3.65 -0.72 0.00 -1.26 -4.71 120.51 112.47 3e7n n ALA 129 Ca -0.11 -4.16 -0.16 0.00 0.00 0.00 0.00 53.44 49.01 3e7n n ALA 129 Cb 0.61 -3.14 -0.16 0.00 0.00 0.00 0.00 19.45 16.77 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 1.51 0.24 0.01 0.00 0.01 -1.26 -2.11 114.94 113.34 3e7n s ASN 130 Ca 0.43 0.00 0.02 0.00 -0.71 0.00 0.00 52.86 52.60 3e7n s ASN 130 Cb 0.12 -0.14 -0.01 0.00 0.41 0.00 0.00 41.25 41.63 3e7n s ASN 130 CO -0.03 -0.10 -0.06 0.54 -1.51 0.00 0.00 177.10 175.94 3e7n s VAL 131 N 0.94 0.45 -0.28 1.60 0.11 -0.00 -4.48 120.40 118.73 3e7n s VAL 131 Ca -0.09 -0.41 -0.12 0.00 -2.93 0.00 0.00 61.98 58.43 3e7n s VAL 131 Cb -0.12 -0.41 -0.05 0.00 -1.53 0.00 0.00 36.38 34.27 3e7n s VAL 131 CO -0.02 0.01 0.23 -0.63 -3.33 0.00 0.00 175.10 171.36 3e7n s ILE 132 N -0.39 5.28 -0.17 7.04 1.01 -0.45 -1.29 121.20 132.22 3e7n s ILE 132 Ca -0.01 0.27 -0.10 0.00 0.00 0.00 0.00 60.65 60.81 3e7n s ILE 132 Cb -0.04 -3.57 -0.05 0.00 0.01 0.00 0.00 42.46 38.82 3e7n s ILE 132 CO -0.00 0.23 0.16 -0.76 0.00 0.00 0.00 174.94 174.56 3e7n s LEU 133 N 1.83 4.27 -0.15 2.97 1.43 0.16 -0.40 118.68 128.80 3e7n s LEU 133 Ca 0.09 0.35 -0.05 0.00 -1.03 0.00 0.00 54.13 53.48 3e7n s LEU 133 Cb -0.16 -2.12 -0.03 0.00 0.03 0.00 0.00 46.19 43.90 3e7n s LEU 133 CO 0.11 0.24 0.01 0.00 0.23 0.00 0.00 176.35 176.94 3e7n s ALA 135 N 0.11 3.35 -0.21 0.00 0.00 -0.23 -0.60 121.76 124.18 3e7n s ALA 135 Ca 0.02 0.78 -0.32 0.00 0.00 0.00 0.00 51.96 52.45 3e7n s ALA 135 Cb -0.13 -3.37 0.15 0.00 0.00 0.00 0.00 23.12 19.77 3e7n s ALA 135 CO 0.02 -0.27 1.21 0.20 0.00 0.00 0.00 175.76 176.92 3e7n s GLY 136 N 0.35 -0.15 0.18 0.00 0.00 -0.58 -1.02 107.32 106.10 3e7n s GLY 136 Ca 0.52 2.14 0.02 0.00 0.00 0.00 0.00 44.72 47.40 3e7n s GLY 136 CO 0.32 0.86 0.00 -1.34 0.00 0.00 0.00 173.10 172.94 3e7n s VAL 137 N -1.61 0.71 0.00 1.40 -7.23 -1.26 -3.66 120.40 108.76 3e7n s VAL 137 Ca 0.06 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.25 3e7n s VAL 137 Cb -0.01 -2.14 0.00 0.00 0.56 0.00 0.00 36.38 34.79 3e7n s VAL 137 CO -0.04 -0.46 0.00 1.07 -0.31 0.00 0.00 175.10 175.35