#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 -0.09 5.20 0.00 -1.26 -5.20 120.51 119.15 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 -2.39 0.00 4.81 -1.26 -5.01 118.16 114.30 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 -0.03 -0.03 0.00 0.02 0.00 0.00 35.03 34.99 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 -0.04 4.12 0.00 1.64 1.02 -1.26 -4.84 119.74 120.39 3e7n s LYS 3 Ca 0.00 1.72 0.00 0.00 0.02 0.00 0.00 55.97 57.71 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 -0.23 0.00 0.41 -0.92 0.00 0.00 175.35 174.61 3e7n n GLY 4 N 0.58 -1.19 0.00 -3.33 0.00 -1.26 -4.86 105.19 95.12 3e7n n GLY 4 Ca 0.04 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 43.94 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 -3.03 2.61 -2.24 -1.26 -4.86 114.28 105.50 3e7n n THR 5 Ca 0.00 -0.49 -0.45 0.00 -2.27 0.00 0.00 64.05 60.84 3e7n n THR 5 Cb 0.00 1.00 -0.03 0.00 -2.10 0.00 0.00 70.33 69.21 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 -0.79 4.89 -0.09 2.28 1.01 -1.26 -4.88 120.40 121.57 3e7n s VAL 6 Ca 0.00 -1.58 0.15 0.00 0.00 0.00 0.00 61.98 60.55 3e7n s VAL 6 Cb 0.00 -4.67 -0.17 0.00 0.00 0.00 0.00 36.38 31.55 3e7n s VAL 6 CO 0.00 -1.35 0.78 -0.07 0.00 0.00 0.00 175.10 174.46 3e7n h LEU 7 N 9.88 0.00 -9.66 3.92 3.38 -1.95 -3.45 115.31 117.42 3e7n h LEU 7 Ca 0.05 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.49 3e7n h LEU 7 Cb 1.04 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.84 3e7n h LEU 7 CO 1.04 0.73 0.79 0.21 0.09 0.00 0.00 178.44 181.30 3e7n s ASN 8 N -5.91 6.67 0.17 -0.43 3.84 -1.26 -4.93 114.94 113.09 3e7n s ASN 8 Ca -0.03 2.58 -0.11 0.00 0.21 0.00 0.00 52.86 55.51 3e7n s ASN 8 Cb 0.08 -2.61 0.04 0.00 -0.55 0.00 0.00 41.25 38.22 3e7n s ASN 8 CO 0.81 -0.73 1.62 0.77 -2.79 0.00 0.00 177.10 176.79 3e7n h SER 9 N 5.95 0.97 -0.26 -4.21 4.64 -1.99 -1.04 113.55 117.61 3e7n h SER 9 Ca -0.44 -0.30 -0.10 0.00 -0.47 0.00 0.00 61.79 60.48 3e7n h SER 9 Cb 1.21 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 63.04 3e7n h SER 9 CO 0.84 1.03 -0.21 -0.33 -0.87 0.00 0.00 176.83 177.29 3e7n h GLU 10 N 0.87 0.60 -0.45 4.77 4.39 -1.99 -1.52 114.58 121.25 3e7n h GLU 10 Ca 0.16 -0.30 -0.03 0.00 0.34 0.00 0.00 59.36 59.53 3e7n h GLU 10 Cb 0.54 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.17 3e7n h GLU 10 CO 0.03 0.89 0.16 0.82 -1.16 0.00 0.00 179.01 179.75 3e7n h ILE 11 N 0.32 1.21 -0.55 3.13 2.04 -1.96 0.58 117.51 122.28 3e7n h ILE 11 Ca 0.05 -0.68 0.02 0.00 1.00 0.00 0.00 64.86 65.25 3e7n h ILE 11 Cb 0.76 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 3e7n h ILE 11 CO 0.06 0.25 0.34 0.28 0.00 0.00 0.00 178.15 179.07 3e7n h SER 12 N 0.59 0.56 -0.18 1.72 0.02 -1.17 -1.54 113.55 113.54 3e7n h SER 12 Ca 0.15 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 3e7n h SER 12 Cb 0.22 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 3e7n h SER 12 CO -0.01 0.39 0.07 -1.28 -1.14 0.00 0.00 176.83 174.87 3e7n h SER 13 N 0.68 0.25 -0.51 3.07 0.87 -0.91 -2.34 113.55 114.66 3e7n h SER 13 Ca 0.22 -0.16 -0.10 0.00 -1.23 0.00 0.00 61.79 60.52 3e7n h SER 13 Cb 0.01 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 61.88 3e7n h SER 13 CO -0.09 0.34 -0.06 1.62 -0.53 0.00 0.00 176.83 178.11 3e7n h VAL 14 N 0.14 1.26 -0.73 2.23 3.04 -0.57 -2.75 116.25 118.87 3e7n h VAL 14 Ca 0.06 -1.19 -0.05 0.00 -1.01 0.00 0.00 66.70 64.51 3e7n h VAL 14 Cb 0.17 0.91 -0.03 0.00 -2.01 0.00 0.00 31.29 30.33 3e7n h VAL 14 CO -0.01 0.42 0.25 0.40 -1.01 0.00 0.00 177.57 177.62 3e7n h ILE 15 N 0.89 1.26 0.00 3.17 2.04 -1.26 -2.21 117.51 121.39 3e7n h ILE 15 Ca 0.15 -0.87 0.00 0.00 1.00 0.00 0.00 64.86 65.14 3e7n h ILE 15 Cb 0.60 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 3e7n h ILE 15 CO 0.04 0.35 0.00 -1.54 0.00 0.00 0.00 178.15 176.99 3e7n n SER 16 N -4.29 0.00 -0.67 1.72 3.41 -0.89 -2.25 113.62 110.66 3e7n n SER 16 Ca 0.06 0.48 0.08 0.00 -0.26 0.00 0.00 58.87 59.22 3e7n n SER 16 Cb 0.21 -0.49 0.10 0.00 -0.26 0.00 0.00 64.21 63.77 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 -1.49 1.49 -2.44 4.33 1.74 -0.84 -4.98 116.66 114.47 3e7n n ARG 17 Ca 0.04 -1.60 -0.41 0.00 -0.77 0.00 0.00 57.85 55.11 3e7n n ARG 17 Cb 0.17 -1.31 -0.04 0.00 -1.02 0.00 0.00 32.46 30.27 3e7n n ARG 17 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3e7n s LEU 18 N -1.22 4.47 0.46 0.55 1.43 -0.95 -5.07 118.68 118.35 3e7n s LEU 18 Ca 0.21 2.17 0.06 0.00 -1.03 0.00 0.00 54.13 55.53 3e7n s LEU 18 Cb 0.14 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.72 3e7n s LEU 18 CO 0.20 -0.30 0.18 -0.83 0.23 0.00 0.00 176.35 175.83 3e7n s GLY 19 N -0.00 2.48 0.06 -3.19 0.00 -1.26 -5.05 107.32 100.36 3e7n s GLY 19 Ca 0.51 -1.64 -0.36 0.00 0.00 0.00 0.00 44.72 43.23 3e7n s GLY 19 CO 0.36 -1.98 1.51 1.57 0.00 0.00 0.00 173.10 174.55 3e7n n HIS 20 N -1.33 1.90 -0.15 1.90 -0.00 -1.26 -1.41 115.22 114.86 3e7n n HIS 20 Ca -0.05 0.45 0.00 0.00 0.46 0.00 0.00 57.72 58.58 3e7n n HIS 20 Cb 0.65 -2.44 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 3.26 0.00 -1.78 3.57 -2.24 -0.05 -4.99 114.28 112.05 3e7n n THR 21 Ca 0.19 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.60 3e7n n THR 21 Cb 0.23 -0.01 0.05 0.00 -2.10 0.00 0.00 70.33 68.50 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 -3.71 4.94 0.22 3.42 1.01 -0.50 -4.68 116.67 117.37 3e7n s ASP 22 Ca 0.00 2.67 0.11 0.00 0.71 0.00 0.00 52.55 56.04 3e7n s ASP 22 Cb 0.00 -2.62 -0.05 0.00 1.01 0.00 0.00 42.92 41.26 3e7n s ASP 22 CO 0.00 -1.78 -0.19 0.42 0.21 0.00 0.00 175.17 173.83 3e7n s THR 23 N -1.37 2.58 -0.03 -1.27 -4.23 -1.26 -0.90 115.64 109.17 3e7n s THR 23 Ca 0.77 -2.08 0.01 0.00 -1.18 0.00 0.00 61.69 59.21 3e7n s THR 23 Cb -0.38 -2.29 0.02 0.00 1.34 0.00 0.00 72.50 71.19 3e7n s THR 23 CO 0.43 -0.22 -0.01 -0.22 -0.54 0.00 0.00 174.62 174.06 3e7n s LEU 24 N -3.01 1.36 -0.13 4.79 2.96 -0.33 -1.24 118.68 123.08 3e7n s LEU 24 Ca 0.25 -0.05 -0.03 0.00 -0.22 0.00 0.00 54.13 54.08 3e7n s LEU 24 Cb -0.07 -0.24 -0.03 0.00 0.50 0.00 0.00 46.19 46.35 3e7n s LEU 24 CO 0.13 -0.07 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.39 3e7n s VAL 25 N 0.78 4.17 -0.19 1.68 1.01 -0.50 -0.63 120.40 126.72 3e7n s VAL 25 Ca -0.08 -0.27 -0.04 0.00 0.00 0.00 0.00 61.98 61.59 3e7n s VAL 25 Cb -0.11 -2.80 -0.02 0.00 0.00 0.00 0.00 36.38 33.45 3e7n s VAL 25 CO -0.01 0.54 -0.04 -0.69 0.00 0.00 0.00 175.10 174.89 3e7n s VAL 26 N -0.16 3.55 0.34 2.92 1.01 -0.47 0.13 120.40 127.72 3e7n s VAL 26 Ca 0.04 -0.45 0.04 0.00 0.00 0.00 0.00 61.98 61.61 3e7n s VAL 26 Cb -0.13 -2.59 -0.07 0.00 0.00 0.00 0.00 36.38 33.60 3e7n s VAL 26 CO 0.02 0.45 0.05 0.00 0.00 0.00 0.00 175.10 175.62 3e7n s ASP 28 N -3.52 3.76 0.27 0.00 1.47 -0.75 -1.26 116.67 116.64 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 0.09 0.04 1.02 0.00 -0.34 0.00 0.00 42.92 43.74 3e7n s ASP 28 CO 0.16 -2.28 1.70 0.00 0.68 0.00 0.00 175.17 175.43 3e7n n ALA 29 N -3.22 1.51 0.47 2.11 0.00 -0.07 -3.02 120.51 118.29 3e7n n ALA 29 Ca 0.16 0.11 0.05 0.00 0.00 0.00 0.00 53.44 53.77 3e7n n ALA 29 Cb 0.60 -1.37 0.01 0.00 0.00 0.00 0.00 19.45 18.69 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 -0.32 -0.20 3.73 0.00 0.00 -1.26 -5.01 105.19 102.13 3e7n n GLY 30 Ca 0.01 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.44 4.40 0.44 0.99 2.96 -1.17 -4.99 118.68 119.86 3e7n s LEU 31 Ca 0.10 2.44 -0.23 0.00 -0.22 0.00 0.00 54.13 56.23 3e7n s LEU 31 Cb 0.09 -3.61 -0.09 0.00 0.50 0.00 0.00 46.19 43.09 3e7n s LEU 31 CO 0.23 -0.61 1.06 -2.16 -1.32 0.00 0.00 176.35 173.55 3e7n s PRO 32 N 0.22 3.99 -0.20 0.98 0.04 -1.26 -4.99 135.00 133.78 3e7n s PRO 32 Ca 0.60 1.49 0.01 0.00 0.04 0.00 0.00 61.00 63.14 3e7n s PRO 32 Cb -0.38 -2.38 0.02 0.00 0.04 0.00 0.00 34.50 31.81 3e7n s PRO 32 CO 0.37 -0.29 -0.17 0.42 0.04 0.00 0.00 177.00 177.37 3e7n s ILE 33 N -1.75 2.22 0.55 0.56 1.01 -1.26 -5.09 121.20 117.44 3e7n s ILE 33 Ca 0.62 -1.01 -0.19 0.00 0.00 0.00 0.00 60.65 60.07 3e7n s ILE 33 Cb -0.21 -2.00 -0.05 0.00 0.01 0.00 0.00 42.46 40.21 3e7n s ILE 33 CO 0.26 0.44 1.13 -2.84 0.00 0.00 0.00 174.94 173.93 3e7n s PRO 34 N 1.28 3.31 0.00 2.79 0.02 -1.26 -4.93 135.00 136.21 3e7n s PRO 34 Ca 0.03 1.61 0.27 0.00 0.02 0.00 0.00 61.00 62.93 3e7n s PRO 34 Cb -0.14 -2.00 1.36 0.00 0.02 0.00 0.00 34.50 33.74 3e7n s PRO 34 CO -0.11 -0.89 1.93 0.27 -0.33 0.00 0.00 177.00 177.87 3e7n n ASN 35 N -1.38 0.00 0.00 2.53 6.94 -1.26 -2.44 115.26 119.65 3e7n n ASN 35 Ca 0.12 -0.08 0.12 0.00 -0.02 0.00 0.00 54.58 54.71 3e7n n ASN 35 Cb 0.51 -0.29 0.71 0.00 -2.36 0.00 0.00 39.78 38.35 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 -1.29 0.00 -4.11 0.53 3.41 -1.26 -4.82 113.62 106.08 3e7n n SER 36 Ca 0.13 -1.21 -0.15 0.00 -0.26 0.00 0.00 58.87 57.37 3e7n n SER 36 Cb 0.22 0.00 -0.12 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 0.80 0.30 6.66 -1.32 -1.02 -4.92 115.64 114.15 3e7n s THR 37 Ca 0.36 -1.19 -0.29 0.00 -1.21 0.00 0.00 61.69 59.36 3e7n s THR 37 Cb 0.16 -0.82 -0.10 0.00 -1.51 0.00 0.00 72.50 70.23 3e7n s THR 37 CO 0.28 -0.31 1.19 0.00 -2.21 0.00 0.00 174.62 173.57 3e7n s ALA 38 N -1.34 3.44 -0.29 11.08 0.00 -1.22 -4.85 121.76 128.59 3e7n s ALA 38 Ca -0.06 1.06 -0.07 0.00 0.00 0.00 0.00 51.96 52.89 3e7n s ALA 38 Cb -0.10 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.63 3e7n s ALA 38 CO 0.01 -0.38 0.08 0.50 0.00 0.00 0.00 175.76 175.97 3e7n s ARG 39 N -1.61 3.18 -0.40 0.00 3.52 -1.26 -0.90 118.95 121.48 3e7n s ARG 39 Ca 0.47 -0.80 -0.05 0.00 -0.13 0.00 0.00 55.73 55.22 3e7n s ARG 39 Cb -0.35 -3.37 0.09 0.00 -1.56 0.00 0.00 34.95 29.76 3e7n s ARG 39 CO 0.46 -0.41 0.20 0.42 -0.81 0.00 0.00 175.30 175.16 3e7n s ILE 40 N 1.52 3.56 0.31 4.11 1.01 -0.26 -4.98 121.20 126.46 3e7n s ILE 40 Ca 0.03 -1.76 -0.03 0.00 0.00 0.00 0.00 60.65 58.89 3e7n s ILE 40 Cb -0.17 -3.30 -0.04 0.00 0.01 0.00 0.00 42.46 38.96 3e7n s ILE 40 CO 0.03 -0.56 0.56 -0.62 0.00 0.00 0.00 174.94 174.35 3e7n s ASP 41 N 1.88 6.39 0.22 3.58 -1.08 -1.26 -0.79 116.67 125.60 3e7n s ASP 41 Ca 0.05 0.64 0.00 0.00 -0.52 0.00 0.00 52.55 52.71 3e7n s ASP 41 Cb -0.23 -2.11 0.00 0.00 -1.46 0.00 0.00 42.92 39.12 3e7n s ASP 41 CO -0.02 -0.24 0.00 0.00 0.52 0.00 0.00 175.17 175.44 3e7n n ALA 43 N -1.22 -2.19 -0.13 3.66 0.00 -0.73 -4.94 120.51 114.95 3e7n n ALA 43 Ca -0.03 0.41 -0.26 0.00 0.00 0.00 0.00 53.44 53.56 3e7n n ALA 43 Cb 0.55 -1.31 -0.10 0.00 0.00 0.00 0.00 19.45 18.59 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 1.30 1.93 -3.83 0.00 7.94 -0.27 -4.93 117.00 119.15 3e7n n LEU 44 Ca 0.00 0.37 -0.06 0.00 -1.11 0.00 0.00 56.01 55.21 3e7n n LEU 44 Cb 0.00 -0.85 0.01 0.00 0.53 0.00 0.00 43.42 43.10 3e7n n LEU 44 CO 0.00 0.43 0.64 0.28 -1.11 0.00 0.00 177.39 177.63 3e7n s THR 45 N -2.49 0.00 -0.21 1.96 -1.32 -0.95 -5.04 115.64 107.59 3e7n s THR 45 Ca -0.35 -0.81 -0.39 0.00 -1.21 0.00 0.00 61.69 58.93 3e7n s THR 45 Cb 0.12 -2.52 -0.15 0.00 -1.51 0.00 0.00 72.50 68.43 3e7n s THR 45 CO 0.50 0.00 1.71 0.00 -2.21 0.00 0.00 174.62 174.62 3e7n n GLN 46 N -0.55 1.29 -0.93 7.08 3.00 -1.26 -0.55 117.38 125.46 3e7n n GLN 46 Ca -0.06 0.47 0.00 0.00 -0.01 0.00 0.00 57.00 57.41 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 4.01 0.82 2.85 1.08 0.00 0.13 -4.98 105.19 109.09 3e7n n GLY 47 Ca 0.25 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.41 0.89 0.60 1.61 1.01 0.29 -2.79 120.40 118.59 3e7n s VAL 48 Ca 0.00 -0.41 -0.09 0.00 0.00 0.00 0.00 61.98 61.48 3e7n s VAL 48 Cb 0.00 -1.07 -0.02 0.00 0.00 0.00 0.00 36.38 35.29 3e7n s VAL 48 CO 0.00 0.17 0.96 -2.16 0.00 0.00 0.00 175.10 174.07 3e7n s PRO 49 N 1.74 3.35 0.75 2.72 0.04 -1.26 -1.11 135.00 141.22 3e7n s PRO 49 Ca 0.02 0.44 -0.11 0.00 0.04 0.00 0.00 61.00 61.39 3e7n s PRO 49 Cb -0.14 -2.17 0.04 0.00 0.04 0.00 0.00 34.50 32.26 3e7n s PRO 49 CO -0.07 -0.58 1.09 -1.54 0.04 0.00 0.00 177.00 175.93 3e7n s SER 50 N -4.21 4.94 0.00 6.66 1.04 -1.12 -0.30 113.70 120.71 3e7n s SER 50 Ca 0.53 1.33 0.00 0.00 0.48 0.00 0.00 55.95 58.30 3e7n s SER 50 Cb -0.11 -2.12 0.00 0.00 0.10 0.00 0.00 66.02 63.89 3e7n s SER 50 CO 0.50 -1.69 0.00 0.33 0.98 0.00 0.00 173.24 173.36 3e7n n PHE 51 N -3.25 0.00 0.00 5.02 7.35 -1.26 -2.45 117.46 122.86 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 0.56 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.39 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 0.27 0.00 -0.04 -4.13 6.02 -1.26 -1.23 117.38 117.01 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 -0.09 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 1.40 -0.59 5.09 2.07 -1.84 -1.65 116.25 120.74 3e7n h VAL 54 Ca 0.00 -1.37 0.04 0.00 0.82 0.00 0.00 66.70 66.19 3e7n h VAL 54 Cb 0.00 2.15 -0.05 0.00 -1.52 0.00 0.00 31.29 31.88 3e7n h VAL 54 CO 0.00 0.38 0.33 0.58 0.02 0.00 0.00 177.57 178.88 3e7n h VAL 55 N -0.28 0.99 0.13 2.57 2.07 -1.45 -0.83 116.25 119.45 3e7n h VAL 55 Ca 0.01 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 3e7n h VAL 55 Cb 0.67 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 3e7n h VAL 55 CO 0.02 0.11 -0.06 -0.78 0.02 0.00 0.00 177.57 176.89 3e7n h ASP 56 N 0.63 -0.15 -0.42 0.57 3.58 -1.80 -0.96 116.42 117.87 3e7n h ASP 56 Ca 0.26 -0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.66 3e7n h ASP 56 Cb 0.12 0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.19 3e7n h ASP 56 CO -0.15 -0.10 0.10 0.58 -2.88 0.00 0.00 179.24 176.79 3e7n h VAL 57 N -0.18 1.23 -0.67 2.25 2.07 -0.96 -2.52 116.25 117.47 3e7n h VAL 57 Ca -0.02 -0.81 0.05 0.00 0.82 0.00 0.00 66.70 66.75 3e7n h VAL 57 Cb 0.14 0.96 -0.05 0.00 -1.52 0.00 0.00 31.29 30.82 3e7n h VAL 57 CO 0.03 0.28 0.38 0.58 0.02 0.00 0.00 177.57 178.87 3e7n h VAL 58 N 0.54 0.99 0.00 2.57 2.07 -1.05 -2.28 116.25 119.09 3e7n h VAL 58 Ca 0.13 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.41 3e7n h VAL 58 Cb 0.32 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 3e7n h VAL 58 CO 0.00 0.13 0.00 0.35 0.02 0.00 0.00 177.57 178.07 3e7n n THR 59 N -4.77 0.18 0.19 2.57 -2.24 -0.37 -2.19 114.28 107.66 3e7n n THR 59 Ca 0.08 0.05 0.06 0.00 -2.27 0.00 0.00 64.05 61.97 3e7n n THR 59 Cb 0.16 -0.62 0.35 0.00 -2.10 0.00 0.00 70.33 68.12 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 -1.49 -0.78 3.08 -0.99 -3.45 114.38 110.75 3e7n h ARG 60 Ca 0.00 0.00 -0.68 0.00 0.07 0.00 0.00 59.98 59.37 3e7n h ARG 60 Cb 0.27 0.00 -0.33 0.00 0.08 0.00 0.00 29.97 29.99 3e7n h ARG 60 CO 0.00 0.36 0.37 0.39 -1.07 0.00 0.00 179.97 180.02 3e7n n GLU 61 N -3.56 3.00 -3.66 0.04 1.02 -0.93 -5.08 120.64 111.47 3e7n n GLU 61 Ca -0.00 -3.78 -0.25 0.00 -0.02 0.00 0.00 57.16 53.11 3e7n n GLU 61 Cb 0.49 -2.27 -0.17 0.00 -0.02 0.00 0.00 31.44 29.47 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 -3.84 0.21 -0.18 3.49 -1.52 -1.26 -5.06 119.66 111.51 3e7n s GLN 63 Ca 0.54 -0.06 -0.06 0.00 -1.95 0.00 0.00 55.36 53.82 3e7n s GLN 63 Cb 0.44 -1.60 -0.04 0.00 -0.22 0.00 0.00 33.01 31.59 3e7n s GLN 63 CO -0.21 -0.58 0.03 0.08 -0.25 0.00 0.00 175.29 174.36 3e7n s VAL 64 N 2.07 4.45 -0.15 1.09 1.01 -1.25 -1.19 120.40 126.43 3e7n s VAL 64 Ca 0.02 -0.15 0.14 0.00 0.00 0.00 0.00 61.98 61.99 3e7n s VAL 64 Cb -0.15 -3.00 -0.20 0.00 0.00 0.00 0.00 36.38 33.03 3e7n s VAL 64 CO -0.07 0.46 0.36 -1.84 0.00 0.00 0.00 175.10 174.01 3e7n n GLU 65 N 3.67 0.88 -3.44 2.72 0.28 -0.05 -4.70 120.64 119.99 3e7n n GLU 65 Ca -0.17 -0.10 -0.13 0.00 -0.16 0.00 0.00 57.16 56.60 3e7n n GLU 65 Cb 0.52 -1.29 -0.03 0.00 1.43 0.00 0.00 31.44 32.08 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 -2.82 -1.61 -0.01 -1.84 0.00 -1.21 -2.16 121.76 112.12 3e7n s ALA 66 Ca -0.03 0.60 0.01 0.00 0.00 0.00 0.00 51.96 52.54 3e7n s ALA 66 Cb 0.09 0.76 0.00 0.00 0.00 0.00 0.00 23.12 23.97 3e7n s ALA 66 CO 0.57 -0.71 -0.04 0.00 0.00 0.00 0.00 175.76 175.59 3e7n s ALA 67 N -3.38 0.35 -0.06 0.00 0.00 0.87 -0.74 121.76 118.79 3e7n s ALA 67 Ca -0.01 -0.13 0.05 0.00 0.00 0.00 0.00 51.96 51.87 3e7n s ALA 67 Cb -0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 3e7n s ALA 67 CO -0.10 0.06 -0.21 0.42 0.00 0.00 0.00 175.76 175.93 3e7n s ILE 68 N 0.06 2.41 0.14 0.00 1.01 0.40 -1.77 121.20 123.46 3e7n s ILE 68 Ca -0.00 -0.94 0.04 0.00 0.00 0.00 0.00 60.65 59.75 3e7n s ILE 68 Cb -0.03 -1.91 -0.04 0.00 0.01 0.00 0.00 42.46 40.48 3e7n s ILE 68 CO -0.00 0.57 -0.10 -0.76 0.00 0.00 0.00 174.94 174.65 3e7n s LEU 69 N -0.27 2.53 0.20 2.97 1.43 -0.26 -1.21 118.68 124.06 3e7n s LEU 69 Ca 0.00 -1.00 -0.30 0.00 -1.03 0.00 0.00 54.13 51.80 3e7n s LEU 69 Cb -0.13 -0.34 -0.08 0.00 0.03 0.00 0.00 46.19 45.67 3e7n s LEU 69 CO 0.03 -0.33 1.05 0.00 0.23 0.00 0.00 176.35 177.33 3e7n s ALA 70 N -3.29 3.35 0.45 4.21 0.00 -1.26 -1.60 121.76 123.63 3e7n s ALA 70 Ca 0.16 0.76 0.16 0.00 0.00 0.00 0.00 51.96 53.04 3e7n s ALA 70 Cb 0.02 -3.31 1.09 0.00 0.00 0.00 0.00 23.12 20.92 3e7n s ALA 70 CO 0.00 -0.10 1.99 1.15 0.00 0.00 0.00 175.76 178.80 3e7n h THR 71 N 3.57 0.88 -0.17 0.00 2.02 -1.19 -2.11 112.91 115.90 3e7n h THR 71 Ca -0.45 -0.11 0.05 0.00 0.77 0.00 0.00 66.41 66.67 3e7n h THR 71 Cb 1.21 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 3e7n h THR 71 CO 0.71 0.06 0.22 -0.33 0.37 0.00 0.00 175.52 176.55 3e7n h GLU 72 N 0.33 0.00 0.00 6.66 3.07 -1.92 -2.02 114.58 120.70 3e7n h GLU 72 Ca 0.26 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 59.07 3e7n h GLU 72 Cb 0.58 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.49 3e7n h GLU 72 CO -0.06 0.00 -0.26 0.97 -1.40 0.00 0.00 179.01 178.26 3e7n h ILE 73 N 0.00 1.18 -0.08 3.13 2.10 -1.67 -1.88 117.51 120.30 3e7n h ILE 73 Ca 0.08 -0.90 0.01 0.00 1.08 0.00 0.00 64.86 65.13 3e7n h ILE 73 Cb 0.53 1.49 -0.01 0.00 -1.09 0.00 0.00 36.82 37.74 3e7n h ILE 73 CO -0.00 0.26 0.02 0.11 -1.08 0.00 0.00 178.15 177.46 3e7n h LYS 74 N 0.00 0.06 0.12 2.19 1.57 -1.56 -1.42 116.57 117.52 3e7n h LYS 74 Ca -0.00 -0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.54 3e7n h LYS 74 Cb 0.47 -0.01 0.02 0.00 0.08 0.00 0.00 32.23 32.79 3e7n h LYS 74 CO 0.03 0.04 -0.97 1.96 -0.57 0.00 0.00 179.45 179.94 3e7n h GLN 75 N 0.06 0.45 -0.00 3.15 4.20 -1.72 -3.33 115.11 117.92 3e7n h GLN 75 Ca 0.03 -0.64 0.00 0.00 0.06 0.00 0.00 58.65 58.10 3e7n h GLN 75 Cb 0.02 0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.02 3e7n h GLN 75 CO -0.04 1.28 -0.86 1.04 -0.67 0.00 0.00 178.83 179.58 3e7n n GLN 76 N -4.00 0.25 -2.76 1.46 6.02 -0.71 -4.47 117.38 113.16 3e7n n GLN 76 Ca -0.13 -0.20 -0.10 0.00 -0.01 0.00 0.00 57.00 56.56 3e7n n GLN 76 Cb 0.87 -1.50 0.06 0.00 1.02 0.00 0.00 30.24 30.69 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 -1.20 -0.33 -0.09 1.08 2.85 -0.54 -4.68 115.26 112.36 3e7n n ASN 77 Ca 0.05 -2.81 0.01 0.00 -0.11 0.00 0.00 54.58 51.72 3e7n n ASN 77 Cb 0.36 0.33 0.30 0.00 1.24 0.00 0.00 39.78 42.01 3e7n n ASN 77 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3e7n h PRO 78 N 2.66 0.73 -0.44 1.20 0.13 -1.66 -0.51 132.00 134.11 3e7n h PRO 78 Ca -0.13 -0.08 -0.00 0.00 -0.87 0.00 0.00 66.00 64.91 3e7n h PRO 78 Cb 1.18 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 32.14 3e7n h PRO 78 CO 0.25 0.56 0.26 0.37 -0.23 0.00 0.00 178.00 179.21 3e7n h GLN 79 N 0.73 0.60 -0.26 0.86 5.75 -1.91 0.08 115.11 120.96 3e7n h GLN 79 Ca 0.18 -0.06 -0.19 0.00 -0.15 0.00 0.00 58.65 58.44 3e7n h GLN 79 Cb 0.06 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 28.49 3e7n h GLN 79 CO -0.03 0.44 -0.58 1.25 -2.65 0.00 0.00 178.83 177.27 3e7n h LEU 80 N 0.58 0.93 -0.34 -2.39 5.85 -1.77 -1.88 115.31 116.28 3e7n h LEU 80 Ca 0.16 -0.51 0.07 0.00 0.84 0.00 0.00 57.88 58.44 3e7n h LEU 80 Cb 0.00 -0.27 -0.08 0.00 0.37 0.00 0.00 40.66 40.69 3e7n h LEU 80 CO -0.03 1.30 -0.18 -0.74 -0.34 0.00 0.00 178.44 178.46 3e7n h HIS 81 N 0.62 -0.44 -0.57 1.25 2.76 -0.88 -0.64 115.15 117.25 3e7n h HIS 81 Ca 0.00 0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.21 3e7n h HIS 81 Cb 1.19 0.25 -0.03 0.00 1.55 0.00 0.00 27.41 30.37 3e7n h HIS 81 CO 0.07 -0.25 0.34 1.49 -1.30 0.00 0.00 177.93 178.28 3e7n h GLU 82 N -0.12 0.78 -0.85 5.26 4.81 -0.87 -1.38 114.58 122.20 3e7n h GLU 82 Ca 0.17 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 3e7n h GLU 82 Cb 0.39 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 3e7n h GLU 82 CO -0.42 0.56 0.41 1.15 -0.73 0.00 0.00 179.01 179.98 3e7n h THR 83 N 0.77 1.26 -0.32 0.32 2.02 -0.97 -1.81 112.91 114.19 3e7n h THR 83 Ca 0.20 -0.74 -0.08 0.00 0.77 0.00 0.00 66.41 66.56 3e7n h THR 83 Cb -0.01 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.56 3e7n h THR 83 CO -0.04 0.32 -0.12 0.25 0.37 0.00 0.00 175.52 176.30 3e7n h LEU 84 N 1.22 0.66 -0.68 2.58 5.85 -0.81 -1.50 115.31 122.63 3e7n h LEU 84 Ca 0.29 -0.39 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 3e7n h LEU 84 Cb 0.12 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 3e7n h LEU 84 CO -0.04 0.90 0.39 -0.07 -0.34 0.00 0.00 178.44 179.28 3e7n h LEU 85 N 0.42 0.84 -0.37 2.25 3.38 -1.11 0.65 115.31 121.36 3e7n h LEU 85 Ca 0.08 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 57.99 3e7n h LEU 85 Cb 0.63 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 3e7n h LEU 85 CO 0.04 0.68 0.18 0.74 0.09 0.00 0.00 178.44 180.17 3e7n h THR 86 N 0.93 0.97 -0.26 0.22 2.02 -1.21 -0.15 112.91 115.43 3e7n h THR 86 Ca 0.24 -0.13 -0.00 0.00 0.77 0.00 0.00 66.41 67.29 3e7n h THR 86 Cb 0.01 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 3e7n h THR 86 CO -0.04 0.07 0.15 -0.74 0.37 0.00 0.00 175.52 175.33 3e7n h HIS 87 N 0.37 0.35 -0.10 3.16 -0.00 -0.65 -1.52 115.15 116.76 3e7n h HIS 87 Ca 0.16 -0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.51 3e7n h HIS 87 Cb 0.07 -0.11 -0.01 0.00 -0.00 0.00 0.00 27.41 27.36 3e7n h HIS 87 CO -0.10 0.28 -0.02 -0.07 -0.00 0.00 0.00 177.93 178.02 3e7n h LEU 88 N 0.32 0.13 -0.39 0.26 3.38 -0.61 0.23 115.31 118.63 3e7n h LEU 88 Ca 0.09 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 3e7n h LEU 88 Cb 0.04 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3e7n h LEU 88 CO -0.02 0.17 0.11 -0.08 0.09 0.00 0.00 178.44 178.71 3e7n h GLU 89 N 0.14 0.62 -0.18 1.13 4.81 -0.31 -1.80 114.58 118.99 3e7n h GLU 89 Ca 0.03 -0.14 -0.16 0.00 -0.13 0.00 0.00 59.36 58.96 3e7n h GLU 89 Cb 0.13 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 3e7n h GLU 89 CO 0.00 0.63 -0.57 1.96 -0.73 0.00 0.00 179.01 180.31 3e7n h GLN 90 N 0.49 0.55 0.22 1.92 4.20 -0.56 -2.78 115.11 119.14 3e7n h GLN 90 Ca 0.12 -0.35 -0.01 0.00 0.06 0.00 0.00 58.65 58.48 3e7n h GLN 90 Cb 0.29 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.10 3e7n h GLN 90 CO -0.00 0.96 -0.14 1.25 -0.67 0.00 0.00 178.83 180.23 3e7n h LEU 91 N 0.42 -0.35 -1.48 1.46 5.85 -0.90 -1.79 115.31 118.51 3e7n h LEU 91 Ca 0.00 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 3e7n h LEU 91 Cb 1.11 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.23 3e7n h LEU 91 CO 0.11 -0.22 0.17 0.06 -0.34 0.00 0.00 178.44 178.21 3e7n h GLN 92 N -0.35 0.52 0.17 1.25 3.07 -1.28 0.28 115.11 118.76 3e7n h GLN 92 Ca -0.02 -0.06 -0.01 0.00 0.09 0.00 0.00 58.65 58.66 3e7n h GLN 92 Cb 0.29 -0.10 0.00 0.00 0.08 0.00 0.00 27.48 27.75 3e7n h GLN 92 CO 0.02 0.42 -0.08 1.96 0.09 0.00 0.00 178.83 181.23 3e7n h GLN 93 N 0.52 -0.21 -0.36 0.06 4.20 -1.20 0.19 115.11 118.30 3e7n h GLN 93 Ca 0.13 0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.81 3e7n h GLN 93 Cb 0.08 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 3e7n h GLN 93 CO -0.02 -0.03 0.04 1.25 -0.67 0.00 0.00 178.83 179.41 3e7n h HIS 94 N -0.37 0.55 0.00 2.96 2.76 -0.43 -2.08 115.15 118.55 3e7n h HIS 94 Ca -0.02 -0.04 -0.05 0.00 -2.20 0.00 0.00 60.37 58.06 3e7n h HIS 94 Cb 0.29 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.08 3e7n h HIS 94 CO -0.02 0.51 -0.22 1.96 -1.30 0.00 0.00 177.93 178.85 3e7n h GLN 95 N 0.52 0.00 -0.52 5.26 4.20 -0.32 -3.48 115.11 120.77 3e7n h GLN 95 Ca 0.12 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.74 3e7n h GLN 95 Cb 0.27 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 3e7n h GLN 95 CO 0.00 0.22 -0.10 0.41 -0.67 0.00 0.00 178.83 178.69 3e7n n GLY 96 N 0.49 0.29 0.00 3.46 0.00 0.57 -5.00 105.19 105.00 3e7n n GLY 96 Ca 0.01 -0.74 0.00 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 1.22 0.27 -3.90 1.61 6.94 -0.66 -5.00 115.26 115.73 3e7n n ASN 97 Ca -0.05 -0.94 -0.28 0.00 -0.02 0.00 0.00 54.58 53.29 3e7n n ASN 97 Cb 0.46 0.00 -0.16 0.00 -2.36 0.00 0.00 39.78 37.72 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 -1.80 1.16 -0.27 5.53 -1.32 -1.26 -4.38 115.64 113.30 3e7n s THR 98 Ca 0.00 -0.68 -0.28 0.00 -1.21 0.00 0.00 61.69 59.53 3e7n s THR 98 Cb 0.00 -1.33 0.01 0.00 -1.51 0.00 0.00 72.50 69.67 3e7n s THR 98 CO 0.00 0.12 0.99 -0.63 -2.21 0.00 0.00 174.62 172.89 3e7n s ILE 99 N 1.61 4.66 0.03 5.08 1.01 -1.26 -4.87 121.20 127.46 3e7n s ILE 99 Ca 0.00 1.75 -0.30 0.00 0.00 0.00 0.00 60.65 62.10 3e7n s ILE 99 Cb -0.15 -4.30 -0.04 0.00 0.01 0.00 0.00 42.46 37.98 3e7n s ILE 99 CO -0.08 -0.27 1.07 -0.75 0.00 0.00 0.00 174.94 174.91 3e7n s LYS 100 N 3.27 4.51 -0.12 2.79 2.20 -0.92 -4.89 119.74 126.58 3e7n s LYS 100 Ca 0.42 1.57 -0.00 0.00 -0.36 0.00 0.00 55.97 57.60 3e7n s LYS 100 Cb -0.14 -3.41 -0.02 0.00 -1.51 0.00 0.00 37.83 32.75 3e7n s LYS 100 CO 0.10 -0.14 -0.12 0.42 -0.36 0.00 0.00 175.35 175.26 3e7n s ILE 101 N 1.03 3.19 0.06 5.43 1.09 -1.26 -0.09 121.20 130.65 3e7n s ILE 101 Ca 0.55 -0.62 -0.01 0.00 -1.10 0.00 0.00 60.65 59.47 3e7n s ILE 101 Cb -0.25 -2.33 -0.04 0.00 -1.06 0.00 0.00 42.46 38.78 3e7n s ILE 101 CO 0.29 0.53 -0.03 -0.94 -0.10 0.00 0.00 174.94 174.69 3e7n s SER 102 N 0.15 0.59 -0.00 3.58 1.04 -0.73 -4.99 113.70 113.34 3e7n s SER 102 Ca -0.06 -1.01 0.05 0.00 0.48 0.00 0.00 55.95 55.41 3e7n s SER 102 Cb -0.15 0.19 -0.01 0.00 0.10 0.00 0.00 66.02 66.15 3e7n s SER 102 CO 0.04 -0.59 -0.17 -0.31 0.98 0.00 0.00 173.24 173.20 3e7n s TYR 103 N -3.88 1.55 0.24 5.02 2.02 -1.26 -1.11 117.35 119.94 3e7n s TYR 103 Ca 0.09 -0.30 0.01 0.00 -0.37 0.00 0.00 57.07 56.49 3e7n s TYR 103 Cb 0.08 -0.99 -0.05 0.00 -0.40 0.00 0.00 41.96 40.60 3e7n s TYR 103 CO -0.08 -0.01 0.12 0.95 -1.57 0.00 0.00 175.55 174.95 3e7n s THR 104 N -0.47 0.35 0.72 -0.71 -4.23 -0.63 -4.88 115.64 105.79 3e7n s THR 104 Ca 0.06 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.43 3e7n s THR 104 Cb -0.07 -2.58 0.03 0.00 1.34 0.00 0.00 72.50 71.23 3e7n s THR 104 CO -0.00 0.00 1.19 0.42 -0.54 0.00 0.00 174.62 175.68 3e7n s THR 105 N -3.87 2.49 0.27 3.99 -4.23 -1.26 -0.64 115.64 112.39 3e7n s THR 105 Ca 0.38 0.23 -0.02 0.00 -1.18 0.00 0.00 61.69 61.11 3e7n s THR 105 Cb 0.07 -2.78 0.27 0.00 1.34 0.00 0.00 72.50 71.41 3e7n s THR 105 CO 0.14 -0.13 1.89 -0.74 -0.54 0.00 0.00 174.62 175.23 3e7n h HIS 106 N -0.28 1.17 -0.60 3.99 2.76 -1.93 0.42 115.15 120.69 3e7n h HIS 106 Ca -0.47 0.03 0.07 0.00 -2.20 0.00 0.00 60.37 57.79 3e7n h HIS 106 Cb 1.28 -0.39 -0.06 0.00 1.55 0.00 0.00 27.41 29.80 3e7n h HIS 106 CO 0.49 0.61 0.29 0.93 -1.30 0.00 0.00 177.93 178.95 3e7n h GLU 107 N 1.15 0.52 -0.14 5.26 4.39 -2.00 -0.50 114.58 123.26 3e7n h GLU 107 Ca 0.42 -0.03 -0.17 0.00 0.34 0.00 0.00 59.36 59.92 3e7n h GLU 107 Cb 0.17 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.69 3e7n h GLU 107 CO -0.16 0.35 -0.64 0.37 -1.16 0.00 0.00 179.01 177.77 3e7n h GLN 108 N 0.54 0.50 -0.15 2.33 5.75 -1.70 -2.70 115.11 119.67 3e7n h GLN 108 Ca 0.28 -0.36 0.03 0.00 -0.15 0.00 0.00 58.65 58.46 3e7n h GLN 108 Cb 0.24 0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.82 3e7n h GLN 108 CO -0.22 0.98 -0.05 0.35 -2.65 0.00 0.00 178.83 177.24 3e7n h PHE 109 N 0.37 -0.12 -0.82 3.99 3.57 -0.37 -0.70 116.94 122.86 3e7n h PHE 109 Ca -0.01 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.58 3e7n h PHE 109 Cb 1.20 0.08 -0.06 0.00 2.79 0.00 0.00 35.95 39.95 3e7n h PHE 109 CO 0.05 -0.09 0.49 0.87 -2.23 0.00 0.00 178.31 177.40 3e7n h LYS 110 N -0.02 0.84 -0.65 1.11 1.57 -0.98 -1.17 116.57 117.27 3e7n h LYS 110 Ca 0.08 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 3e7n h LYS 110 Cb 0.14 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 3e7n h LYS 110 CO -0.17 0.56 0.25 0.87 -0.57 0.00 0.00 179.45 180.39 3e7n h LYS 111 N 0.87 0.97 0.00 3.15 1.57 -1.10 -2.37 116.57 119.65 3e7n h LYS 111 Ca 0.37 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.94 3e7n h LYS 111 Cb 0.24 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 3e7n h LYS 111 CO -0.20 0.82 -0.16 -0.07 -0.57 0.00 0.00 179.45 179.26 3e7n h LEU 112 N 0.91 0.00 -2.08 2.94 3.38 -0.22 -1.92 115.31 118.33 3e7n h LEU 112 Ca 0.21 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 3e7n h LEU 112 Cb 0.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3e7n h LEU 112 CO -0.02 0.16 -0.08 0.71 0.09 0.00 0.00 178.44 179.31 3e7n h THR 113 N 0.00 0.65 0.00 0.22 1.35 -0.70 -1.85 112.91 112.58 3e7n h THR 113 Ca -0.00 -0.33 -0.00 0.00 -0.55 0.00 0.00 66.41 65.52 3e7n h THR 113 Cb 0.31 1.21 -0.00 0.00 -1.73 0.00 0.00 68.15 67.93 3e7n h THR 113 CO 0.02 0.08 -0.02 0.00 -0.25 0.00 0.00 175.52 175.35 3e7n h ALA 114 N 1.92 1.18 -0.19 6.62 0.00 -1.32 -2.43 119.26 125.04 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 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3e7n h ALA 114 CO 0.01 0.02 0.00 -0.25 0.00 0.00 0.00 179.25 179.03 3e7n n ASP 115 N -3.36 3.08 -4.89 0.00 8.00 -0.70 -4.59 116.55 114.10 3e7n n ASP 115 Ca -0.02 -1.96 -0.29 0.00 0.71 0.00 0.00 54.79 53.22 3e7n n ASP 115 Cb 0.12 -0.11 0.04 0.00 -0.02 0.00 0.00 41.12 41.15 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 -1.76 5.53 0.16 -2.24 1.04 -0.92 -4.71 113.70 110.80 3e7n s SER 116 Ca 0.33 1.07 0.02 0.00 0.48 0.00 0.00 55.95 57.86 3e7n s SER 116 Cb 0.21 -1.92 -0.01 0.00 0.10 0.00 0.00 66.02 64.40 3e7n s SER 116 CO 0.31 -1.25 1.37 1.56 0.98 0.00 0.00 173.24 176.21 3e7n h GLN 117 N -0.54 0.20 -2.25 4.02 1.08 -1.50 -3.44 115.11 112.67 3e7n h GLN 117 Ca -0.45 -0.22 -0.00 0.00 -1.45 0.00 0.00 58.65 56.53 3e7n h GLN 117 Cb 1.25 0.06 -0.17 0.00 -0.05 0.00 0.00 27.48 28.57 3e7n h GLN 117 CO 0.63 0.96 0.30 0.00 -0.95 0.00 0.00 178.83 179.77 3e7n s ALA 118 N -3.20 -1.76 -0.21 3.87 0.00 -1.26 -3.37 121.76 115.83 3e7n s ALA 118 Ca -0.03 1.08 -0.03 0.00 0.00 0.00 0.00 51.96 52.98 3e7n s ALA 118 Cb 0.10 0.20 -0.01 0.00 0.00 0.00 0.00 23.12 23.42 3e7n s ALA 118 CO 0.83 -0.52 -0.06 0.08 0.00 0.00 0.00 175.76 176.09 3e7n s VAL 119 N -2.19 3.24 -0.39 0.00 1.01 -0.07 -1.40 120.40 120.59 3e7n s VAL 119 Ca -0.04 -0.54 -0.16 0.00 0.00 0.00 0.00 61.98 61.25 3e7n s VAL 119 Cb -0.01 -2.46 0.01 0.00 0.00 0.00 0.00 36.38 33.92 3e7n s VAL 119 CO -0.01 0.44 0.37 -0.63 0.00 0.00 0.00 175.10 175.27 3e7n s ILE 120 N 1.44 5.16 -0.20 2.22 1.01 0.12 -1.11 121.20 129.84 3e7n s ILE 120 Ca 0.05 -0.29 -0.22 0.00 0.00 0.00 0.00 60.65 60.19 3e7n s ILE 120 Cb -0.14 -3.93 -0.02 0.00 0.01 0.00 0.00 42.46 38.37 3e7n s ILE 120 CO -0.04 -0.28 0.69 -0.60 0.00 0.00 0.00 174.94 174.71 3e7n s ARG 121 N 1.98 4.22 0.56 2.79 3.52 0.03 -1.41 118.95 130.64 3e7n s ARG 121 Ca 0.10 0.72 0.04 0.00 -0.13 0.00 0.00 55.73 56.47 3e7n s ARG 121 Cb -0.17 -3.59 0.06 0.00 -1.56 0.00 0.00 34.95 29.69 3e7n s ARG 121 CO 0.12 -0.29 0.78 -1.54 -0.81 0.00 0.00 175.30 173.56 3e7n s SER 122 N 1.22 5.11 -0.00 -2.12 1.04 -0.39 -1.78 113.70 116.78 3e7n s SER 122 Ca 0.31 -0.38 0.08 0.00 0.48 0.00 0.00 55.95 56.45 3e7n s SER 122 Cb -0.16 -0.37 0.25 0.00 0.10 0.00 0.00 66.02 65.84 3e7n s SER 122 CO 0.10 -1.26 1.20 0.61 0.98 0.00 0.00 173.24 174.87 3e7n n GLY 123 N -2.32 0.37 3.75 7.32 0.00 0.59 -3.35 105.19 111.54 3e7n n GLY 123 Ca 0.11 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.63 4.20 0.00 1.61 2.56 -1.24 0.17 118.70 124.37 3e7n s GLU 124 Ca 0.19 2.44 0.10 0.00 0.00 0.00 0.00 54.97 57.70 3e7n s GLU 124 Cb 0.10 -3.06 -0.05 0.00 2.00 0.00 0.00 34.13 33.12 3e7n s GLU 124 CO 0.12 -0.52 0.54 0.00 -0.56 0.00 0.00 175.26 174.85 3e7n s SER 126 N -1.62 4.38 0.31 0.00 1.04 -1.26 -4.98 113.70 111.56 3e7n s SER 126 Ca 0.06 1.69 -0.27 0.00 0.48 0.00 0.00 55.95 57.91 3e7n s SER 126 Cb 0.08 -2.41 -0.09 0.00 0.10 0.00 0.00 66.02 63.69 3e7n s SER 126 CO 0.32 -2.10 1.00 -2.84 0.98 0.00 0.00 173.24 170.61 3e7n s PRO 127 N -4.94 4.57 -1.39 4.02 0.02 -1.26 -3.92 135.00 132.09 3e7n s PRO 127 Ca 0.61 1.52 -0.06 0.00 0.02 0.00 0.00 61.00 63.09 3e7n s PRO 127 Cb -0.17 -2.94 0.04 0.00 0.02 0.00 0.00 34.50 31.44 3e7n s PRO 127 CO 0.56 0.22 0.47 0.66 -0.33 0.00 0.00 177.00 178.59 3e7n n TYR 128 N 0.78 -1.80 -2.10 6.54 4.01 -1.26 -4.58 117.16 118.74 3e7n n TYR 128 Ca 0.01 0.43 -0.42 0.00 -0.16 0.00 0.00 57.90 57.76 3e7n n TYR 128 Cb 0.48 -3.59 0.00 0.00 -0.31 0.00 0.00 39.34 35.92 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 -3.36 5.35 -3.35 -0.72 0.00 -1.25 -4.73 120.51 112.44 3e7n n ALA 129 Ca -0.08 -4.12 -0.16 0.00 0.00 0.00 0.00 53.44 49.09 3e7n n ALA 129 Cb 0.59 -3.24 -0.15 0.00 0.00 0.00 0.00 19.45 16.64 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 0.46 -0.00 0.00 0.01 -1.26 -1.81 114.94 114.35 3e7n s ASN 130 Ca 0.43 -0.05 0.02 0.00 -0.71 0.00 0.00 52.86 52.55 3e7n s ASN 130 Cb 0.11 -0.17 -0.00 0.00 0.41 0.00 0.00 41.25 41.59 3e7n s ASN 130 CO -0.03 -0.04 -0.05 0.54 -1.51 0.00 0.00 177.10 176.00 3e7n s VAL 131 N 0.57 0.41 -0.27 1.60 0.11 -0.12 -4.48 120.40 118.23 3e7n s VAL 131 Ca -0.06 -0.25 -0.10 0.00 -2.93 0.00 0.00 61.98 58.63 3e7n s VAL 131 Cb -0.09 -0.35 -0.05 0.00 -1.53 0.00 0.00 36.38 34.36 3e7n s VAL 131 CO -0.01 0.09 0.17 -0.63 -3.33 0.00 0.00 175.10 171.39 3e7n s ILE 132 N -0.17 5.16 -0.19 7.04 1.01 -0.35 -1.36 121.20 132.34 3e7n s ILE 132 Ca 0.01 0.12 -0.09 0.00 0.00 0.00 0.00 60.65 60.69 3e7n s ILE 132 Cb -0.02 -3.45 -0.05 0.00 0.01 0.00 0.00 42.46 38.95 3e7n s ILE 132 CO -0.00 0.28 0.13 -0.76 0.00 0.00 0.00 174.94 174.58 3e7n s LEU 133 N 1.65 4.22 -0.17 2.97 1.43 0.19 -0.45 118.68 128.53 3e7n s LEU 133 Ca 0.07 0.26 -0.06 0.00 -1.03 0.00 0.00 54.13 53.37 3e7n s LEU 133 Cb -0.16 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 3e7n s LEU 133 CO 0.09 0.21 0.04 0.00 0.23 0.00 0.00 176.35 176.93 3e7n s ALA 135 N 0.18 3.34 -0.26 0.00 0.00 -0.08 -0.87 121.76 124.07 3e7n s ALA 135 Ca 0.03 0.77 -0.31 0.00 0.00 0.00 0.00 51.96 52.45 3e7n s ALA 135 Cb -0.13 -3.37 0.17 0.00 0.00 0.00 0.00 23.12 19.80 3e7n s ALA 135 CO 0.01 -0.25 1.30 0.20 0.00 0.00 0.00 175.76 177.01 3e7n s GLY 136 N 0.34 -0.03 0.24 0.00 0.00 -0.34 -0.87 107.32 106.66 3e7n s GLY 136 Ca 0.52 2.50 0.03 0.00 0.00 0.00 0.00 44.72 47.77 3e7n s GLY 136 CO 0.32 0.99 0.03 -1.34 0.00 0.00 0.00 173.10 173.10 3e7n s VAL 137 N -1.29 0.86 -1.76 1.40 -7.23 -1.26 -3.67 120.40 107.44 3e7n s VAL 137 Ca 0.08 -2.01 0.14 0.00 -1.81 0.00 0.00 61.98 58.38 3e7n s VAL 137 Cb -0.01 -2.43 0.11 0.00 0.56 0.00 0.00 36.38 34.62 3e7n s VAL 137 CO -0.06 -0.23 0.95 0.41 -0.31 0.00 0.00 175.10 175.86