#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e7n n ALA 0 N 0.00 0.00 0.00 5.20 0.00 -1.26 -5.19 120.51 119.26 3e7n n ALA 0 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3e7n n ALA 0 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3e7n n ALA 0 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3e7n n LYS 2 N 0.00 0.00 -2.17 0.00 4.81 -1.26 -5.04 118.16 114.50 3e7n n LYS 2 Ca 0.00 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 57.08 3e7n n LYS 2 Cb 0.00 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.06 3e7n n LYS 2 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 3e7n s LYS 3 N 0.00 3.40 0.09 1.64 1.02 -1.26 -4.83 119.74 119.81 3e7n s LYS 3 Ca 0.00 1.76 0.00 0.00 0.02 0.00 0.00 55.97 57.75 3e7n s LYS 3 Cb 0.00 -2.15 0.00 0.00 -0.52 0.00 0.00 37.83 35.16 3e7n s LYS 3 CO 0.00 -0.84 0.00 0.41 -0.92 0.00 0.00 175.35 174.00 3e7n n GLY 4 N 0.37 -1.81 0.00 -3.33 0.00 -1.26 -4.82 105.19 94.34 3e7n n GLY 4 Ca 0.10 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.13 3e7n n GLY 4 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3e7n n THR 5 N 0.00 0.00 -3.02 2.61 -2.24 -1.26 -4.86 114.28 105.51 3e7n n THR 5 Ca 0.00 -0.37 -0.44 0.00 -2.27 0.00 0.00 64.05 60.97 3e7n n THR 5 Cb 0.00 1.16 -0.03 0.00 -2.10 0.00 0.00 70.33 69.36 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 -0.30 4.82 -0.13 2.28 1.01 -1.26 -4.88 120.40 121.94 3e7n s VAL 6 Ca 0.00 -1.39 0.19 0.00 0.00 0.00 0.00 61.98 60.78 3e7n s VAL 6 Cb 0.00 -4.65 -0.17 0.00 0.00 0.00 0.00 36.38 31.55 3e7n s VAL 6 CO 0.00 -1.34 0.68 0.18 0.00 0.00 0.00 175.10 174.62 3e7n n LEU 7 N 6.29 0.53 -4.73 3.92 4.77 -1.26 -4.84 117.00 121.67 3e7n n LEU 7 Ca 0.10 0.22 -0.42 0.00 -0.03 0.00 0.00 56.01 55.89 3e7n n LEU 7 Cb 0.47 0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.62 3e7n n LEU 7 CO 0.52 0.09 1.12 0.21 -1.33 0.00 0.00 177.39 178.00 3e7n s ASN 8 N -5.35 6.69 0.15 -1.43 3.84 -1.26 -4.92 114.94 112.66 3e7n s ASN 8 Ca -0.05 2.57 -0.12 0.00 0.21 0.00 0.00 52.86 55.47 3e7n s ASN 8 Cb 0.10 -2.61 0.03 0.00 -0.55 0.00 0.00 41.25 38.22 3e7n s ASN 8 CO 0.83 -0.71 1.62 0.77 -2.79 0.00 0.00 177.10 176.82 3e7n h SER 9 N 5.86 0.87 -0.25 -4.21 4.64 -1.99 -1.36 113.55 117.11 3e7n h SER 9 Ca -0.44 -0.29 -0.15 0.00 -0.47 0.00 0.00 61.79 60.44 3e7n h SER 9 Cb 1.21 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 63.07 3e7n h SER 9 CO 0.83 0.95 -0.42 -0.33 -0.87 0.00 0.00 176.83 176.99 3e7n h GLU 10 N 0.76 0.73 -0.22 4.77 4.39 -1.99 -1.17 114.58 121.85 3e7n h GLU 10 Ca 0.15 -0.45 -0.00 0.00 0.34 0.00 0.00 59.36 59.40 3e7n h GLU 10 Cb 0.49 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 3e7n h GLU 10 CO 0.02 1.07 0.12 0.82 -1.16 0.00 0.00 179.01 179.88 3e7n h ILE 11 N 0.47 1.12 -0.77 3.13 2.04 -1.96 -0.78 117.51 120.75 3e7n h ILE 11 Ca 0.02 -0.31 0.05 0.00 1.00 0.00 0.00 64.86 65.61 3e7n h ILE 11 Cb 1.01 0.92 -0.05 0.00 -0.74 0.00 0.00 36.82 37.96 3e7n h ILE 11 CO 0.10 0.11 0.48 0.28 0.00 0.00 0.00 178.15 179.11 3e7n h SER 12 N 0.24 0.76 -0.15 1.72 0.02 -1.19 -1.31 113.55 113.64 3e7n h SER 12 Ca 0.08 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 3e7n h SER 12 Cb 0.07 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 3e7n h SER 12 CO -0.01 0.51 0.07 -1.28 -1.14 0.00 0.00 176.83 174.98 3e7n h SER 13 N 0.90 0.20 -0.10 3.07 0.87 -0.84 -2.01 113.55 115.64 3e7n h SER 13 Ca 0.33 -0.12 -0.17 0.00 -1.23 0.00 0.00 61.79 60.59 3e7n h SER 13 Cb 0.09 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.00 3e7n h SER 13 CO -0.14 0.27 -0.54 -0.37 -0.53 0.00 0.00 176.83 175.51 3e7n h VAL 14 N 0.12 1.30 -0.85 2.23 -1.51 -0.78 -2.80 116.25 113.97 3e7n h VAL 14 Ca 0.05 -1.76 0.01 0.00 -1.23 0.00 0.00 66.70 63.77 3e7n h VAL 14 Cb 0.12 1.70 -0.04 0.00 -2.13 0.00 0.00 31.29 30.94 3e7n h VAL 14 CO -0.01 0.56 0.56 0.40 -1.23 0.00 0.00 177.57 177.86 3e7n h ILE 15 N 0.53 1.21 0.00 7.19 2.04 -1.20 -1.34 117.51 125.94 3e7n h ILE 15 Ca 0.01 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.48 3e7n h ILE 15 Cb 1.11 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.16 3e7n h ILE 15 CO 0.11 0.21 0.00 0.77 0.00 0.00 0.00 178.15 179.24 3e7n h SER 16 N 1.14 0.00 0.06 1.72 4.64 -1.12 -2.80 113.55 117.20 3e7n h SER 16 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 3e7n h SER 16 Cb -0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 3e7n h SER 16 CO -0.07 0.00 -0.30 0.54 -0.87 0.00 0.00 176.83 176.13 3e7n n ARG 17 N -2.51 1.28 -2.42 4.77 1.74 -0.53 -4.97 116.66 114.03 3e7n n ARG 17 Ca 0.02 -0.96 -0.39 0.00 -0.77 0.00 0.00 57.85 55.75 3e7n n ARG 17 Cb 0.28 -1.48 -0.04 0.00 -1.02 0.00 0.00 32.46 30.21 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 -2.38 4.38 0.48 0.55 1.43 -1.06 -5.06 118.68 117.03 3e7n s LEU 18 Ca 0.23 2.28 0.04 0.00 -1.03 0.00 0.00 54.13 55.66 3e7n s LEU 18 Cb 0.19 -3.83 -0.02 0.00 0.03 0.00 0.00 46.19 42.56 3e7n s LEU 18 CO 0.50 -0.36 0.12 -0.83 0.23 0.00 0.00 176.35 176.01 3e7n s GLY 19 N -1.03 2.65 0.11 -3.19 0.00 -1.26 -5.05 107.32 99.54 3e7n s GLY 19 Ca 0.50 -1.28 -0.35 0.00 0.00 0.00 0.00 44.72 43.60 3e7n s GLY 19 CO 0.39 -2.07 1.58 1.57 0.00 0.00 0.00 173.10 174.57 3e7n n HIS 20 N -1.31 2.15 0.00 1.90 -0.00 -1.26 -1.73 115.22 114.96 3e7n n HIS 20 Ca -0.09 0.31 0.00 0.00 0.46 0.00 0.00 57.72 58.40 3e7n n HIS 20 Cb 0.66 -2.52 0.00 0.00 -0.12 0.00 0.00 29.99 28.01 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 3.49 0.00 -1.73 3.57 -2.24 0.22 -4.99 114.28 112.59 3e7n n THR 21 Ca 0.18 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.59 3e7n n THR 21 Cb 0.27 0.00 0.06 0.00 -2.10 0.00 0.00 70.33 68.56 3e7n n THR 21 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3e7n n ASP 22 N 0.00 2.27 -4.42 3.42 8.00 -0.71 -4.66 116.55 120.46 3e7n n ASP 22 Ca 0.00 0.88 -0.27 0.00 0.71 0.00 0.00 54.79 56.11 3e7n n ASP 22 Cb 0.00 -1.56 -0.12 0.00 -0.02 0.00 0.00 41.12 39.42 3e7n n ASP 22 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3e7n s THR 23 N -1.35 2.34 -0.03 -3.53 -4.23 -1.26 -1.07 115.64 106.51 3e7n s THR 23 Ca 0.79 -1.98 0.02 0.00 -1.18 0.00 0.00 61.69 59.34 3e7n s THR 23 Cb -0.39 -2.11 0.01 0.00 1.34 0.00 0.00 72.50 71.35 3e7n s THR 23 CO 0.43 -0.08 -0.08 -0.22 -0.54 0.00 0.00 174.62 174.13 3e7n s LEU 24 N -2.57 1.68 -0.13 4.79 2.96 -0.11 -1.20 118.68 124.11 3e7n s LEU 24 Ca 0.20 -0.17 -0.05 0.00 -0.22 0.00 0.00 54.13 53.88 3e7n s LEU 24 Cb -0.08 -0.52 -0.04 0.00 0.50 0.00 0.00 46.19 46.05 3e7n s LEU 24 CO 0.09 0.03 0.06 -0.69 -1.32 0.00 0.00 176.35 174.52 3e7n s VAL 25 N 0.38 4.79 -0.19 1.68 1.01 -0.51 -0.60 120.40 126.96 3e7n s VAL 25 Ca -0.06 -0.05 -0.02 0.00 0.00 0.00 0.00 61.98 61.85 3e7n s VAL 25 Cb -0.10 -3.09 -0.01 0.00 0.00 0.00 0.00 36.38 33.18 3e7n s VAL 25 CO 0.01 0.56 -0.08 -0.69 0.00 0.00 0.00 175.10 174.89 3e7n s VAL 26 N -0.46 3.15 0.34 2.92 1.01 -0.62 0.29 120.40 127.03 3e7n s VAL 26 Ca 0.10 -0.58 0.04 0.00 0.00 0.00 0.00 61.98 61.53 3e7n s VAL 26 Cb -0.12 -2.39 -0.06 0.00 0.00 0.00 0.00 36.38 33.80 3e7n s VAL 26 CO 0.02 0.46 0.05 0.00 0.00 0.00 0.00 175.10 175.64 3e7n s ASP 28 N -3.53 4.14 0.26 0.00 1.47 -0.80 -1.13 116.67 117.09 3e7n s ASP 28 Ca 0.35 -0.32 0.22 0.00 1.18 0.00 0.00 52.55 53.98 3e7n s ASP 28 Cb 0.09 0.01 1.01 0.00 -0.34 0.00 0.00 42.92 43.68 3e7n s ASP 28 CO 0.16 -2.01 1.66 0.00 0.68 0.00 0.00 175.17 175.66 3e7n n ALA 29 N -2.97 1.42 0.58 2.11 0.00 0.09 -2.86 120.51 118.87 3e7n n ALA 29 Ca 0.15 0.12 0.06 0.00 0.00 0.00 0.00 53.44 53.78 3e7n n ALA 29 Cb 0.60 -1.34 -0.01 0.00 0.00 0.00 0.00 19.45 18.70 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 -0.51 -0.10 3.73 0.00 0.00 -1.26 -5.01 105.19 102.03 3e7n n GLY 30 Ca 0.01 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.87 4.40 0.46 0.99 2.96 -1.14 -4.99 118.68 119.49 3e7n s LEU 31 Ca 0.10 2.31 -0.23 0.00 -0.22 0.00 0.00 54.13 56.10 3e7n s LEU 31 Cb 0.10 -3.60 -0.07 0.00 0.50 0.00 0.00 46.19 43.12 3e7n s LEU 31 CO 0.34 -0.53 1.16 -2.16 -1.32 0.00 0.00 176.35 173.84 3e7n s PRO 32 N 0.30 3.76 -0.22 0.98 0.04 -1.26 -4.99 135.00 133.61 3e7n s PRO 32 Ca 0.58 1.75 -0.00 0.00 0.04 0.00 0.00 61.00 63.38 3e7n s PRO 32 Cb -0.35 -2.40 0.03 0.00 0.04 0.00 0.00 34.50 31.82 3e7n s PRO 32 CO 0.35 -0.54 -0.12 0.42 0.04 0.00 0.00 177.00 177.14 3e7n s ILE 33 N -1.56 2.49 0.60 0.56 1.01 -1.26 -5.09 121.20 117.94 3e7n s ILE 33 Ca 0.64 -1.03 -0.19 0.00 0.00 0.00 0.00 60.65 60.06 3e7n s ILE 33 Cb -0.28 -2.20 -0.03 0.00 0.01 0.00 0.00 42.46 39.95 3e7n s ILE 33 CO 0.34 0.32 1.22 -2.16 0.00 0.00 0.00 174.94 174.66 3e7n s PRO 34 N 1.29 2.94 0.00 2.79 0.05 -1.26 -4.92 135.00 135.89 3e7n s PRO 34 Ca 0.01 1.87 0.25 0.00 0.05 0.00 0.00 61.00 63.18 3e7n s PRO 34 Cb -0.15 -1.93 1.22 0.00 0.05 0.00 0.00 34.50 33.69 3e7n s PRO 34 CO -0.08 -1.24 1.84 0.27 0.05 0.00 0.00 177.00 177.84 3e7n n ASN 35 N -1.60 0.00 -0.07 6.66 0.23 -1.26 -2.51 115.26 116.71 3e7n n ASN 35 Ca 0.14 0.11 0.06 0.00 -0.53 0.00 0.00 54.58 54.35 3e7n n ASN 35 Cb 0.49 -0.35 0.31 0.00 -2.08 0.00 0.00 39.78 38.15 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 0.21 -4.05 0.53 3.41 -1.26 -4.83 113.62 106.28 3e7n n SER 36 Ca 0.10 -1.69 -0.12 0.00 -0.26 0.00 0.00 58.87 56.89 3e7n n SER 36 Cb 0.23 -0.02 -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 -1.96 0.49 0.29 6.66 -1.32 -1.05 -4.89 115.64 113.86 3e7n s THR 37 Ca 0.17 -1.07 -0.29 0.00 -1.21 0.00 0.00 61.69 59.30 3e7n s THR 37 Cb 0.08 -0.58 -0.09 0.00 -1.51 0.00 0.00 72.50 70.40 3e7n s THR 37 CO 0.13 -0.40 1.09 0.00 -2.21 0.00 0.00 174.62 173.23 3e7n s ALA 38 N -1.42 3.37 -0.26 11.08 0.00 -1.21 -4.87 121.76 128.46 3e7n s ALA 38 Ca -0.11 0.87 -0.06 0.00 0.00 0.00 0.00 51.96 52.66 3e7n s ALA 38 Cb -0.10 -3.32 -0.01 0.00 0.00 0.00 0.00 23.12 19.69 3e7n s ALA 38 CO 0.00 -0.16 0.05 0.50 0.00 0.00 0.00 175.76 176.15 3e7n s ARG 39 N -1.57 3.41 -0.37 0.00 3.52 -1.26 -0.67 118.95 122.01 3e7n s ARG 39 Ca 0.46 -0.63 -0.04 0.00 -0.13 0.00 0.00 55.73 55.39 3e7n s ARG 39 Cb -0.31 -3.26 0.08 0.00 -1.56 0.00 0.00 34.95 29.90 3e7n s ARG 39 CO 0.39 -0.27 0.14 0.42 -0.81 0.00 0.00 175.30 175.17 3e7n s ILE 40 N 1.55 3.36 0.24 4.11 1.01 -0.14 -4.97 121.20 126.36 3e7n s ILE 40 Ca 0.05 -1.66 -0.01 0.00 0.00 0.00 0.00 60.65 59.03 3e7n s ILE 40 Cb -0.16 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 39.16 3e7n s ILE 40 CO 0.02 -0.43 0.45 -0.62 0.00 0.00 0.00 174.94 174.36 3e7n s ASP 41 N 1.63 6.39 0.27 3.58 -1.08 -1.26 -0.68 116.67 125.51 3e7n s ASP 41 Ca 0.02 0.47 0.00 0.00 -0.52 0.00 0.00 52.55 52.53 3e7n s ASP 41 Cb -0.21 -2.04 0.00 0.00 -1.46 0.00 0.00 42.92 39.20 3e7n s ASP 41 CO -0.02 -0.12 0.00 0.00 0.52 0.00 0.00 175.17 175.56 3e7n n ALA 43 N -0.91 -2.02 -0.12 3.66 0.00 -0.76 -4.94 120.51 115.42 3e7n n ALA 43 Ca -0.04 0.49 -0.23 0.00 0.00 0.00 0.00 53.44 53.66 3e7n n ALA 43 Cb 0.54 -1.48 -0.09 0.00 0.00 0.00 0.00 19.45 18.42 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 1.50 1.92 -3.82 0.00 7.94 -0.25 -4.94 117.00 119.34 3e7n n LEU 44 Ca 0.00 0.39 -0.08 0.00 -1.11 0.00 0.00 56.01 55.20 3e7n n LEU 44 Cb 0.00 -0.85 0.01 0.00 0.53 0.00 0.00 43.42 43.11 3e7n n LEU 44 CO 0.00 0.29 0.51 0.28 -1.11 0.00 0.00 177.39 177.37 3e7n s THR 45 N -2.50 0.00 -0.16 1.96 -1.32 -1.01 -5.05 115.64 107.56 3e7n s THR 45 Ca -0.33 -1.00 -0.38 0.00 -1.21 0.00 0.00 61.69 58.78 3e7n s THR 45 Cb 0.10 -2.59 -0.14 0.00 -1.51 0.00 0.00 72.50 68.36 3e7n s THR 45 CO 0.49 0.00 1.75 0.00 -2.21 0.00 0.00 174.62 174.65 3e7n n GLN 46 N -0.51 1.54 -0.82 7.08 3.00 -1.26 -1.09 117.38 125.32 3e7n n GLN 46 Ca -0.07 0.57 0.00 0.00 -0.01 0.00 0.00 57.00 57.49 3e7n n GLN 46 Cb 0.60 -2.30 0.00 0.00 0.00 0.00 0.00 30.24 28.53 3e7n n GLN 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3e7n n GLY 47 N 4.08 1.22 2.87 1.08 0.00 0.13 -4.99 105.19 109.59 3e7n n GLY 47 Ca 0.24 0.00 -0.28 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 -3.66 1.09 0.66 1.61 1.01 -0.25 -2.68 120.40 118.18 3e7n s VAL 48 Ca 0.00 -0.73 -0.11 0.00 0.00 0.00 0.00 61.98 61.14 3e7n s VAL 48 Cb 0.00 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 35.03 3e7n s VAL 48 CO 0.00 0.03 1.05 -2.16 0.00 0.00 0.00 175.10 174.02 3e7n s PRO 49 N 1.63 3.23 0.71 2.72 0.04 -1.26 -1.09 135.00 140.97 3e7n s PRO 49 Ca -0.01 0.88 -0.11 0.00 0.04 0.00 0.00 61.00 61.81 3e7n s PRO 49 Cb -0.16 -2.03 0.02 0.00 0.04 0.00 0.00 34.50 32.37 3e7n s PRO 49 CO -0.07 -0.87 1.07 -1.54 0.04 0.00 0.00 177.00 175.62 3e7n s SER 50 N -3.89 5.25 0.00 6.66 1.04 -1.09 -0.48 113.70 121.18 3e7n s SER 50 Ca 0.57 1.56 0.00 0.00 0.48 0.00 0.00 55.95 58.56 3e7n s SER 50 Cb -0.13 -2.42 0.00 0.00 0.10 0.00 0.00 66.02 63.58 3e7n s SER 50 CO 0.54 -1.52 0.00 0.33 0.98 0.00 0.00 173.24 173.56 3e7n n PHE 51 N -3.17 0.00 0.00 5.02 7.35 -1.26 -2.31 117.46 123.08 3e7n n PHE 51 Ca 0.07 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.76 3e7n n PHE 51 Cb 0.54 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.37 3e7n n PHE 51 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 3e7n n GLN 53 N 0.36 0.00 -0.05 -4.13 6.02 -1.26 -1.40 117.38 116.92 3e7n n GLN 53 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.85 3e7n n GLN 53 Cb 0.00 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.19 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 1.36 -0.53 5.09 2.07 -1.82 -1.91 116.25 120.51 3e7n h VAL 54 Ca 0.00 -1.44 0.01 0.00 0.82 0.00 0.00 66.70 66.09 3e7n h VAL 54 Cb 0.00 1.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 3e7n h VAL 54 CO 0.00 0.43 0.34 0.58 0.02 0.00 0.00 177.57 178.94 3e7n h VAL 55 N 0.01 1.11 0.43 2.57 2.07 -1.51 -0.64 116.25 120.30 3e7n h VAL 55 Ca 0.01 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 3e7n h VAL 55 Cb 0.78 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 3e7n h VAL 55 CO 0.05 0.13 -0.29 -0.78 0.02 0.00 0.00 177.57 176.70 3e7n h ASP 56 N 0.70 -0.73 -0.46 0.57 3.58 -1.80 -1.68 116.42 116.59 3e7n h ASP 56 Ca 0.20 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.70 3e7n h ASP 56 Cb -0.05 0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.20 3e7n h ASP 56 CO -0.06 -0.45 0.31 0.58 -2.88 0.00 0.00 179.24 176.74 3e7n h VAL 57 N -0.70 1.12 -0.70 2.25 2.07 -1.05 -2.48 116.25 116.76 3e7n h VAL 57 Ca -0.04 -0.22 0.05 0.00 0.82 0.00 0.00 66.70 67.31 3e7n h VAL 57 Cb 0.58 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 30.74 3e7n h VAL 57 CO 0.03 0.11 0.42 0.58 0.02 0.00 0.00 177.57 178.73 3e7n h VAL 58 N 0.63 1.02 0.00 2.57 2.07 -1.07 -2.11 116.25 119.36 3e7n h VAL 58 Ca 0.17 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.42 3e7n h VAL 58 Cb -0.07 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 29.87 3e7n h VAL 58 CO -0.04 0.14 0.00 0.35 0.02 0.00 0.00 177.57 178.05 3e7n n THR 59 N -4.72 0.25 0.20 2.57 -2.24 -0.64 -2.16 114.28 107.55 3e7n n THR 59 Ca 0.09 0.06 0.06 0.00 -2.27 0.00 0.00 64.05 61.99 3e7n n THR 59 Cb 0.14 -0.65 0.40 0.00 -2.10 0.00 0.00 70.33 68.13 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 -0.92 -0.78 3.08 -0.96 -3.45 114.38 111.35 3e7n h ARG 60 Ca 0.00 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.41 3e7n h ARG 60 Cb 0.31 0.00 -0.33 0.00 0.08 0.00 0.00 29.97 30.03 3e7n h ARG 60 CO 0.00 0.34 0.36 0.39 -1.07 0.00 0.00 179.97 180.00 3e7n n GLU 61 N -3.72 2.96 -3.67 0.04 1.02 -0.92 -5.09 120.64 111.26 3e7n n GLU 61 Ca -0.01 -3.55 -0.23 0.00 -0.02 0.00 0.00 57.16 53.35 3e7n n GLU 61 Cb 0.44 -2.28 -0.17 0.00 -0.02 0.00 0.00 31.44 29.40 3e7n n GLU 61 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3e7n s GLN 63 N -3.75 0.13 -0.16 3.49 -1.52 -1.26 -5.05 119.66 111.53 3e7n s GLN 63 Ca 0.61 0.13 -0.04 0.00 -1.95 0.00 0.00 55.36 54.10 3e7n s GLN 63 Cb 0.48 -1.13 -0.03 0.00 -0.22 0.00 0.00 33.01 32.11 3e7n s GLN 63 CO 0.01 -0.46 -0.02 0.08 -0.25 0.00 0.00 175.29 174.64 3e7n s VAL 64 N 2.11 3.98 -0.14 1.09 1.01 -1.25 -1.72 120.40 125.48 3e7n s VAL 64 Ca 0.04 -0.32 0.11 0.00 0.00 0.00 0.00 61.98 61.81 3e7n s VAL 64 Cb -0.14 -2.76 -0.16 0.00 0.00 0.00 0.00 36.38 33.32 3e7n s VAL 64 CO -0.06 0.48 0.30 -1.84 0.00 0.00 0.00 175.10 173.99 3e7n n GLU 65 N 3.62 1.11 -3.47 2.72 0.28 0.18 -4.70 120.64 120.38 3e7n n GLU 65 Ca -0.17 -0.08 -0.13 0.00 -0.16 0.00 0.00 57.16 56.62 3e7n n GLU 65 Cb 0.52 -1.20 -0.03 0.00 1.43 0.00 0.00 31.44 32.16 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 -2.60 -1.54 -0.00 -1.84 0.00 -1.20 -1.93 121.76 112.64 3e7n s ALA 66 Ca -0.02 0.57 0.01 0.00 0.00 0.00 0.00 51.96 52.51 3e7n s ALA 66 Cb 0.07 0.71 -0.00 0.00 0.00 0.00 0.00 23.12 23.90 3e7n s ALA 66 CO 0.46 -0.68 -0.02 0.00 0.00 0.00 0.00 175.76 175.52 3e7n s ALA 67 N -3.29 0.17 -0.08 0.00 0.00 0.38 -0.77 121.76 118.17 3e7n s ALA 67 Ca -0.01 -0.09 0.04 0.00 0.00 0.00 0.00 51.96 51.89 3e7n s ALA 67 Cb -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.06 3e7n s ALA 67 CO -0.09 0.04 -0.20 0.42 0.00 0.00 0.00 175.76 175.93 3e7n s ILE 68 N -0.06 2.48 0.15 0.00 1.01 0.07 -1.43 121.20 123.43 3e7n s ILE 68 Ca 0.01 -0.90 0.05 0.00 0.00 0.00 0.00 60.65 59.81 3e7n s ILE 68 Cb -0.01 -1.96 -0.04 0.00 0.01 0.00 0.00 42.46 40.46 3e7n s ILE 68 CO -0.00 0.56 -0.11 -0.76 0.00 0.00 0.00 174.94 174.63 3e7n s LEU 69 N -0.05 2.53 0.23 2.97 1.43 -0.38 -1.21 118.68 124.21 3e7n s LEU 69 Ca -0.05 -1.00 -0.30 0.00 -1.03 0.00 0.00 54.13 51.75 3e7n s LEU 69 Cb -0.14 -0.38 -0.09 0.00 0.03 0.00 0.00 46.19 45.61 3e7n s LEU 69 CO 0.05 -0.31 1.07 0.00 0.23 0.00 0.00 176.35 177.38 3e7n s ALA 70 N -3.23 3.38 0.36 4.21 0.00 -1.26 -1.61 121.76 123.61 3e7n s ALA 70 Ca 0.16 0.81 0.10 0.00 0.00 0.00 0.00 51.96 53.03 3e7n s ALA 70 Cb 0.02 -3.31 0.86 0.00 0.00 0.00 0.00 23.12 20.69 3e7n s ALA 70 CO 0.01 -0.10 1.85 1.15 0.00 0.00 0.00 175.76 178.67 3e7n h THR 71 N 3.35 0.78 -0.04 0.00 2.02 -0.94 -2.30 112.91 115.79 3e7n h THR 71 Ca -0.45 -0.22 0.01 0.00 0.77 0.00 0.00 66.41 66.52 3e7n h THR 71 Cb 1.21 0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 67.69 3e7n h THR 71 CO 0.69 0.12 0.11 -0.33 0.37 0.00 0.00 175.52 176.48 3e7n h GLU 72 N 0.65 0.00 0.00 6.66 3.07 -1.92 -2.17 114.58 120.87 3e7n h GLU 72 Ca 0.48 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 59.27 3e7n h GLU 72 Cb 0.85 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.75 3e7n h GLU 72 CO -0.23 0.00 -0.31 0.97 -1.40 0.00 0.00 179.01 178.04 3e7n h ILE 73 N 0.00 1.15 -0.19 3.13 2.10 -1.71 -2.12 117.51 119.87 3e7n h ILE 73 Ca 0.02 -1.11 -0.01 0.00 1.08 0.00 0.00 64.86 64.84 3e7n h ILE 73 Cb 0.24 1.61 -0.01 0.00 -1.09 0.00 0.00 36.82 37.57 3e7n h ILE 73 CO -0.00 0.31 0.08 0.11 -1.08 0.00 0.00 178.15 177.57 3e7n h LYS 74 N 0.00 0.27 0.12 2.19 1.57 -1.59 -1.25 116.57 117.89 3e7n h LYS 74 Ca -0.00 -0.05 -0.30 0.00 -1.87 0.00 0.00 60.65 58.43 3e7n h LYS 74 Cb 0.58 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 3e7n h LYS 74 CO 0.04 0.33 -1.52 1.96 -0.57 0.00 0.00 179.45 179.69 3e7n h GLN 75 N 0.16 0.25 -0.01 3.15 1.08 -1.74 -3.32 115.11 114.68 3e7n h GLN 75 Ca 0.06 -0.43 0.00 0.00 -1.45 0.00 0.00 58.65 56.83 3e7n h GLN 75 Cb 0.15 0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.74 3e7n h GLN 75 CO -0.01 1.12 -0.59 1.04 -0.95 0.00 0.00 178.83 179.44 3e7n n GLN 76 N -3.46 1.15 -2.78 1.46 6.02 -0.80 -4.47 117.38 114.51 3e7n n GLN 76 Ca -0.16 -0.61 -0.10 0.00 -0.01 0.00 0.00 57.00 56.12 3e7n n GLN 76 Cb 1.04 -1.40 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 -0.54 -0.22 -0.02 1.08 2.85 -0.47 -4.67 115.26 113.27 3e7n n ASN 77 Ca 0.07 -2.83 0.02 0.00 -0.11 0.00 0.00 54.58 51.73 3e7n n ASN 77 Cb 0.38 0.27 0.37 0.00 1.24 0.00 0.00 39.78 42.04 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 2.70 0.57 -0.60 1.20 0.13 -1.65 -0.72 132.00 133.63 3e7n h PRO 78 Ca -0.12 -0.06 -0.07 0.00 -0.87 0.00 0.00 66.00 64.88 3e7n h PRO 78 Cb 1.17 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 32.16 3e7n h PRO 78 CO 0.27 0.44 0.08 0.37 -0.23 0.00 0.00 178.00 178.94 3e7n h GLN 79 N 0.58 1.00 -0.31 0.86 5.75 -1.91 -0.56 115.11 120.51 3e7n h GLN 79 Ca 0.15 -0.27 -0.13 0.00 -0.15 0.00 0.00 58.65 58.24 3e7n h GLN 79 Cb 0.05 -0.11 -0.00 0.00 1.07 0.00 0.00 27.48 28.48 3e7n h GLN 79 CO -0.02 0.95 -0.32 1.25 -2.65 0.00 0.00 178.83 178.03 3e7n h LEU 80 N 0.90 0.82 -0.36 -2.39 5.85 -1.80 -2.09 115.31 116.23 3e7n h LEU 80 Ca 0.18 -0.47 0.07 0.00 0.84 0.00 0.00 57.88 58.49 3e7n h LEU 80 Cb 0.44 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 3e7n h LEU 80 CO 0.01 1.13 -0.04 -0.74 -0.34 0.00 0.00 178.44 178.46 3e7n h HIS 81 N 0.53 -0.09 -0.14 1.25 2.76 -0.97 -0.63 115.15 117.85 3e7n h HIS 81 Ca 0.05 0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.28 3e7n h HIS 81 Cb 0.90 0.10 -0.03 0.00 1.55 0.00 0.00 27.41 29.93 3e7n h HIS 81 CO 0.07 -0.11 -0.06 1.49 -1.30 0.00 0.00 177.93 178.02 3e7n h GLU 82 N 0.06 -0.05 -0.97 5.26 4.81 -1.02 -1.23 114.58 121.44 3e7n h GLU 82 Ca 0.18 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.45 3e7n h GLU 82 Cb 0.26 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.59 3e7n h GLU 82 CO -0.33 -0.03 0.63 1.15 -0.73 0.00 0.00 179.01 179.70 3e7n h THR 83 N -0.05 1.16 -0.31 0.32 2.02 -0.85 -0.73 112.91 114.47 3e7n h THR 83 Ca 0.08 -0.42 -0.12 0.00 0.77 0.00 0.00 66.41 66.72 3e7n h THR 83 Cb 0.16 -0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.41 3e7n h THR 83 CO -0.17 0.22 -0.29 0.25 0.37 0.00 0.00 175.52 175.90 3e7n h LEU 84 N 1.21 0.79 -0.58 2.58 5.85 -0.95 -1.19 115.31 123.03 3e7n h LEU 84 Ca 0.39 -0.46 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 3e7n h LEU 84 Cb 0.03 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 3e7n h LEU 84 CO -0.12 1.09 0.32 -0.07 -0.34 0.00 0.00 178.44 179.31 3e7n h LEU 85 N 0.50 0.73 -0.49 2.25 3.38 -0.70 -0.15 115.31 120.83 3e7n h LEU 85 Ca 0.05 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 57.96 3e7n h LEU 85 Cb 0.86 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 3e7n h LEU 85 CO 0.07 0.61 0.28 0.74 0.09 0.00 0.00 178.44 180.23 3e7n h THR 86 N 0.78 1.02 -0.19 0.22 2.02 -1.02 -0.03 112.91 115.71 3e7n h THR 86 Ca 0.20 -0.19 -0.00 0.00 0.77 0.00 0.00 66.41 67.19 3e7n h THR 86 Cb 0.05 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 3e7n h THR 86 CO -0.03 0.10 0.11 -0.74 0.37 0.00 0.00 175.52 175.33 3e7n h HIS 87 N 0.55 0.26 -0.12 3.16 -0.00 -0.86 -1.66 115.15 116.48 3e7n h HIS 87 Ca 0.20 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.55 3e7n h HIS 87 Cb 0.05 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 27.37 3e7n h HIS 87 CO -0.08 0.23 0.01 -0.07 -0.00 0.00 0.00 177.93 178.02 3e7n h LEU 88 N 0.21 0.15 -0.47 0.26 3.38 -0.72 0.99 115.31 119.11 3e7n h LEU 88 Ca 0.07 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 3e7n h LEU 88 Cb 0.05 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3e7n h LEU 88 CO -0.01 0.18 0.02 -0.08 0.09 0.00 0.00 178.44 178.63 3e7n h GLU 89 N 0.17 0.81 -0.21 1.13 4.81 -0.48 -2.01 114.58 118.79 3e7n h GLU 89 Ca 0.04 -0.25 -0.16 0.00 -0.13 0.00 0.00 59.36 58.87 3e7n h GLU 89 Cb 0.10 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 3e7n h GLU 89 CO 0.00 0.85 -0.52 1.96 -0.73 0.00 0.00 179.01 180.58 3e7n h GLN 90 N 0.66 0.60 0.06 1.92 4.20 -0.51 -2.74 115.11 119.30 3e7n h GLN 90 Ca 0.13 -0.36 -0.00 0.00 0.06 0.00 0.00 58.65 58.48 3e7n h GLN 90 Cb 0.47 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.29 3e7n h GLN 90 CO 0.02 0.97 -0.03 1.25 -0.67 0.00 0.00 178.83 180.37 3e7n h LEU 91 N 0.47 -0.07 -1.27 1.46 5.85 -0.79 -1.49 115.31 119.46 3e7n h LEU 91 Ca 0.02 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3e7n h LEU 91 Cb 1.06 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.08 3e7n h LEU 91 CO 0.10 -0.02 0.37 0.06 -0.34 0.00 0.00 178.44 178.61 3e7n h GLN 92 N -0.11 0.87 -0.28 1.25 3.07 -1.37 0.16 115.11 118.70 3e7n h GLN 92 Ca -0.01 -0.08 -0.01 0.00 0.09 0.00 0.00 58.65 58.64 3e7n h GLN 92 Cb 0.09 -0.18 -0.01 0.00 0.08 0.00 0.00 27.48 27.45 3e7n h GLN 92 CO 0.01 0.62 0.13 1.96 0.09 0.00 0.00 178.83 181.64 3e7n h GLN 93 N 0.88 0.41 -0.40 0.06 4.20 -1.22 0.25 115.11 119.30 3e7n h GLN 93 Ca 0.23 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.81 3e7n h GLN 93 Cb -0.01 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 3e7n h GLN 93 CO -0.04 0.41 -0.04 0.45 -0.67 0.00 0.00 178.83 178.95 3e7n h HIS 94 N 0.32 0.70 0.00 2.96 3.86 -0.54 -2.47 115.15 119.98 3e7n h HIS 94 Ca 0.10 -0.09 -0.07 0.00 -1.16 0.00 0.00 60.37 59.14 3e7n h HIS 94 Cb 0.14 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.41 3e7n h HIS 94 CO -0.02 0.68 -0.32 1.96 0.86 0.00 0.00 177.93 181.09 3e7n h GLN 95 N 0.62 0.00 -0.71 2.45 4.20 -0.48 -3.47 115.11 117.71 3e7n h GLN 95 Ca 0.12 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.73 3e7n h GLN 95 Cb 0.44 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 3e7n h GLN 95 CO 0.02 0.32 -0.13 0.41 -0.67 0.00 0.00 178.83 178.78 3e7n n GLY 96 N 0.74 0.20 0.00 3.46 0.00 0.79 -4.99 105.19 105.39 3e7n n GLY 96 Ca 0.01 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 1.02 0.63 -3.85 1.61 6.94 -0.65 -5.00 115.26 115.95 3e7n n ASN 97 Ca -0.06 -0.87 -0.28 0.00 -0.02 0.00 0.00 54.58 53.35 3e7n n ASN 97 Cb 0.52 0.00 -0.17 0.00 -2.36 0.00 0.00 39.78 37.78 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 -1.52 0.95 -0.20 5.53 -1.32 -1.26 -4.39 115.64 113.43 3e7n s THR 98 Ca 0.00 -0.55 -0.27 0.00 -1.21 0.00 0.00 61.69 59.66 3e7n s THR 98 Cb 0.00 -1.18 -0.00 0.00 -1.51 0.00 0.00 72.50 69.81 3e7n s THR 98 CO 0.00 0.09 0.95 -0.63 -2.21 0.00 0.00 174.62 172.82 3e7n s ILE 99 N 1.70 4.76 -0.07 5.08 1.01 -1.26 -4.88 121.20 127.55 3e7n s ILE 99 Ca 0.01 1.86 -0.29 0.00 0.00 0.00 0.00 60.65 62.24 3e7n s ILE 99 Cb -0.15 -4.24 -0.02 0.00 0.01 0.00 0.00 42.46 38.06 3e7n s ILE 99 CO -0.07 -0.09 0.94 -0.54 0.00 0.00 0.00 174.94 175.18 3e7n s LYS 100 N 2.75 4.47 -0.13 2.79 1.02 -0.82 -4.91 119.74 124.92 3e7n s LYS 100 Ca 0.42 1.31 -0.03 0.00 0.02 0.00 0.00 55.97 57.68 3e7n s LYS 100 Cb -0.16 -3.50 -0.03 0.00 -0.52 0.00 0.00 37.83 33.62 3e7n s LYS 100 CO 0.09 -0.17 -0.01 0.42 -0.92 0.00 0.00 175.35 174.76 3e7n s ILE 101 N 1.49 4.17 0.05 2.17 1.09 -1.26 -0.47 121.20 128.45 3e7n s ILE 101 Ca 0.48 -0.28 -0.02 0.00 -1.10 0.00 0.00 60.65 59.73 3e7n s ILE 101 Cb -0.19 -2.80 -0.04 0.00 -1.06 0.00 0.00 42.46 38.37 3e7n s ILE 101 CO 0.21 0.54 -0.01 -0.94 -0.10 0.00 0.00 174.94 174.64 3e7n s SER 102 N -0.19 0.46 -0.05 3.58 1.04 -0.51 -4.98 113.70 113.04 3e7n s SER 102 Ca 0.05 -0.98 0.04 0.00 0.48 0.00 0.00 55.95 55.53 3e7n s SER 102 Cb -0.13 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.21 3e7n s SER 102 CO 0.02 -0.61 -0.16 -0.31 0.98 0.00 0.00 173.24 173.16 3e7n s TYR 103 N -3.92 1.65 0.33 5.02 2.02 -1.26 -1.25 117.35 119.94 3e7n s TYR 103 Ca 0.07 -0.52 0.03 0.00 -0.37 0.00 0.00 57.07 56.28 3e7n s TYR 103 Cb 0.08 -1.13 -0.05 0.00 -0.40 0.00 0.00 41.96 40.45 3e7n s TYR 103 CO -0.10 -0.21 0.08 0.95 -1.57 0.00 0.00 175.55 174.70 3e7n s THR 104 N 0.22 0.96 0.74 -0.71 -4.23 -0.63 -4.85 115.64 107.14 3e7n s THR 104 Ca -0.07 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.29 3e7n s THR 104 Cb -0.13 -2.69 0.04 0.00 1.34 0.00 0.00 72.50 71.06 3e7n s THR 104 CO 0.03 0.00 1.18 0.42 -0.54 0.00 0.00 174.62 175.71 3e7n s THR 105 N -3.38 2.47 0.31 3.99 -4.23 -1.26 -0.26 115.64 113.28 3e7n s THR 105 Ca 0.35 0.22 -0.01 0.00 -1.18 0.00 0.00 61.69 61.07 3e7n s THR 105 Cb 0.08 -2.73 0.26 0.00 1.34 0.00 0.00 72.50 71.45 3e7n s THR 105 CO 0.15 -0.14 1.97 -0.74 -0.54 0.00 0.00 174.62 175.32 3e7n h HIS 106 N -0.40 1.01 -0.63 3.99 2.76 -1.92 0.13 115.15 120.08 3e7n h HIS 106 Ca -0.47 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 57.77 3e7n h HIS 106 Cb 1.28 -0.34 -0.05 0.00 1.55 0.00 0.00 27.41 29.86 3e7n h HIS 106 CO 0.49 0.63 0.37 0.93 -1.30 0.00 0.00 177.93 179.05 3e7n h GLU 107 N 1.08 0.69 -0.13 5.26 4.39 -2.00 -0.89 114.58 122.98 3e7n h GLU 107 Ca 0.30 -0.04 -0.17 0.00 0.34 0.00 0.00 59.36 59.79 3e7n h GLU 107 Cb -0.09 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.40 3e7n h GLU 107 CO -0.07 0.46 -0.63 0.37 -1.16 0.00 0.00 179.01 177.98 3e7n h GLN 108 N 0.71 0.45 -0.24 2.33 5.75 -1.70 -2.78 115.11 119.64 3e7n h GLN 108 Ca 0.27 -0.32 0.05 0.00 -0.15 0.00 0.00 58.65 58.50 3e7n h GLN 108 Cb 0.09 0.05 -0.05 0.00 1.07 0.00 0.00 27.48 28.65 3e7n h GLN 108 CO -0.14 0.94 -0.06 0.35 -2.65 0.00 0.00 178.83 177.27 3e7n h PHE 109 N 0.33 -0.13 -1.00 3.99 3.57 -0.34 -1.46 116.94 121.90 3e7n h PHE 109 Ca -0.01 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.53 3e7n h PHE 109 Cb 1.18 0.10 -0.05 0.00 2.79 0.00 0.00 35.95 39.96 3e7n h PHE 109 CO 0.04 -0.11 0.66 0.87 -2.23 0.00 0.00 178.31 177.55 3e7n h LYS 110 N -0.00 1.29 -0.73 1.11 1.57 -1.04 -1.40 116.57 117.37 3e7n h LYS 110 Ca 0.12 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 3e7n h LYS 110 Cb 0.18 -0.29 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 3e7n h LYS 110 CO -0.25 0.86 0.41 0.87 -0.57 0.00 0.00 179.45 180.77 3e7n h LYS 111 N 1.33 1.02 -0.08 3.15 1.57 -1.17 -2.47 116.57 119.91 3e7n h LYS 111 Ca 0.38 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 59.01 3e7n h LYS 111 Cb -0.11 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 31.99 3e7n h LYS 111 CO -0.09 0.75 -0.12 -0.07 -0.57 0.00 0.00 179.45 179.35 3e7n h LEU 112 N 1.01 0.12 -2.21 2.94 3.38 -0.33 -1.77 115.31 118.45 3e7n h LEU 112 Ca 0.26 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 3e7n h LEU 112 Cb 0.02 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 3e7n h LEU 112 CO -0.04 0.26 -0.06 0.71 0.09 0.00 0.00 178.44 179.40 3e7n h THR 113 N 0.12 0.46 0.00 0.22 1.35 -0.81 -1.66 112.91 112.59 3e7n h THR 113 Ca 0.03 -0.29 -0.00 0.00 -0.55 0.00 0.00 66.41 65.59 3e7n h THR 113 Cb 0.30 1.19 -0.00 0.00 -1.73 0.00 0.00 68.15 67.91 3e7n h THR 113 CO 0.02 0.06 -0.01 0.00 -0.25 0.00 0.00 175.52 175.33 3e7n h ALA 114 N 1.94 1.07 -0.02 6.62 0.00 -1.27 -2.65 119.26 124.95 3e7n h ALA 114 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3e7n h ALA 114 Cb 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3e7n h ALA 114 CO 0.01 0.02 -0.15 -0.25 0.00 0.00 0.00 179.25 178.87 3e7n n ASP 115 N -3.21 2.58 -4.88 0.00 8.00 -0.63 -4.61 116.55 113.80 3e7n n ASP 115 Ca -0.02 -1.80 -0.30 0.00 0.71 0.00 0.00 54.79 53.38 3e7n n ASP 115 Cb 0.14 0.15 0.05 0.00 -0.02 0.00 0.00 41.12 41.44 3e7n n ASP 115 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3e7n s SER 116 N -2.16 5.36 0.15 -2.24 1.04 -1.00 -4.75 113.70 110.10 3e7n s SER 116 Ca 0.25 1.14 -0.00 0.00 0.48 0.00 0.00 55.95 57.82 3e7n s SER 116 Cb 0.19 -1.92 -0.04 0.00 0.10 0.00 0.00 66.02 64.35 3e7n s SER 116 CO 0.39 -1.40 1.35 1.56 0.98 0.00 0.00 173.24 176.12 3e7n h GLN 117 N -0.69 0.28 -2.37 4.02 1.08 -1.49 -3.44 115.11 112.50 3e7n h GLN 117 Ca -0.45 -0.31 -0.03 0.00 -1.45 0.00 0.00 58.65 56.42 3e7n h GLN 117 Cb 1.26 0.09 -0.16 0.00 -0.05 0.00 0.00 27.48 28.61 3e7n h GLN 117 CO 0.64 1.01 0.24 0.00 -0.95 0.00 0.00 178.83 179.76 3e7n s ALA 118 N -3.24 -1.72 -0.18 3.87 0.00 -1.26 -3.30 121.76 115.94 3e7n s ALA 118 Ca -0.04 1.01 -0.01 0.00 0.00 0.00 0.00 51.96 52.91 3e7n s ALA 118 Cb 0.10 0.32 -0.00 0.00 0.00 0.00 0.00 23.12 23.53 3e7n s ALA 118 CO 0.84 -0.54 -0.11 0.08 0.00 0.00 0.00 175.76 176.04 3e7n s VAL 119 N -2.26 2.95 -0.39 0.00 1.01 0.15 -1.43 120.40 120.43 3e7n s VAL 119 Ca -0.05 -0.66 -0.15 0.00 0.00 0.00 0.00 61.98 61.12 3e7n s VAL 119 Cb -0.00 -2.29 0.01 0.00 0.00 0.00 0.00 36.38 34.10 3e7n s VAL 119 CO -0.00 0.48 0.33 -0.63 0.00 0.00 0.00 175.10 175.28 3e7n s ILE 120 N 1.07 5.21 -0.20 2.22 1.01 0.15 -0.97 121.20 129.69 3e7n s ILE 120 Ca -0.00 -0.45 -0.21 0.00 0.00 0.00 0.00 60.65 60.00 3e7n s ILE 120 Cb -0.15 -3.91 -0.03 0.00 0.01 0.00 0.00 42.46 38.39 3e7n s ILE 120 CO -0.02 -0.27 0.62 -0.60 0.00 0.00 0.00 174.94 174.67 3e7n s ARG 121 N 1.83 4.21 0.60 2.79 3.52 0.14 -1.32 118.95 130.72 3e7n s ARG 121 Ca 0.07 0.59 0.05 0.00 -0.13 0.00 0.00 55.73 56.32 3e7n s ARG 121 Cb -0.18 -3.58 0.08 0.00 -1.56 0.00 0.00 34.95 29.72 3e7n s ARG 121 CO 0.11 -0.23 0.83 -1.54 -0.81 0.00 0.00 175.30 173.66 3e7n s SER 122 N 1.20 4.92 -0.01 -2.12 1.04 -0.28 -1.83 113.70 116.62 3e7n s SER 122 Ca 0.28 -0.52 0.14 0.00 0.48 0.00 0.00 55.95 56.33 3e7n s SER 122 Cb -0.16 -0.08 0.42 0.00 0.10 0.00 0.00 66.02 66.30 3e7n s SER 122 CO 0.10 -1.43 1.34 0.61 0.98 0.00 0.00 173.24 174.84 3e7n n GLY 123 N -2.42 1.30 3.74 7.32 0.00 0.37 -3.26 105.19 112.25 3e7n n GLY 123 Ca 0.13 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.45 4.18 0.00 1.61 2.56 -1.24 0.22 118.70 124.57 3e7n s GLU 124 Ca 0.31 2.47 0.11 0.00 0.00 0.00 0.00 54.97 57.86 3e7n s GLU 124 Cb 0.17 -3.07 -0.09 0.00 2.00 0.00 0.00 34.13 33.15 3e7n s GLU 124 CO 0.20 -0.57 0.51 0.00 -0.56 0.00 0.00 175.26 174.84 3e7n s SER 126 N -1.87 4.58 0.32 0.00 1.04 -1.26 -4.99 113.70 111.52 3e7n s SER 126 Ca 0.05 1.49 -0.27 0.00 0.48 0.00 0.00 55.95 57.70 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 0.40 -1.94 1.05 -2.84 0.98 0.00 0.00 173.24 170.90 3e7n s PRO 127 N -5.06 4.50 -1.51 4.02 0.02 -1.26 -4.01 135.00 131.71 3e7n s PRO 127 Ca 0.60 1.64 -0.00 0.00 0.02 0.00 0.00 61.00 63.26 3e7n s PRO 127 Cb -0.15 -2.95 0.00 0.00 0.02 0.00 0.00 34.50 31.42 3e7n s PRO 127 CO 0.55 0.13 0.04 0.66 -0.33 0.00 0.00 177.00 178.05 3e7n n TYR 128 N 0.75 -1.21 -1.98 6.54 4.01 -1.26 -4.59 117.16 119.43 3e7n n TYR 128 Ca 0.01 0.03 -0.42 0.00 -0.16 0.00 0.00 57.90 57.36 3e7n n TYR 128 Cb 0.47 -3.55 0.00 0.00 -0.31 0.00 0.00 39.34 35.96 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 -2.19 5.50 -3.46 -0.72 0.00 -1.26 -4.75 120.51 113.63 3e7n n ALA 129 Ca -0.20 -4.06 -0.15 0.00 0.00 0.00 0.00 53.44 49.02 3e7n n ALA 129 Cb 0.66 -3.30 -0.15 0.00 0.00 0.00 0.00 19.45 16.65 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 2.19 0.23 0.00 0.00 0.01 -1.26 -1.91 114.94 114.20 3e7n s ASN 130 Ca 0.44 -0.01 0.01 0.00 -0.71 0.00 0.00 52.86 52.60 3e7n s ASN 130 Cb 0.12 -0.11 -0.01 0.00 0.41 0.00 0.00 41.25 41.67 3e7n s ASN 130 CO -0.05 -0.07 -0.05 0.54 -1.51 0.00 0.00 177.10 175.96 3e7n s VAL 131 N 0.70 0.38 -0.30 1.60 0.11 -0.10 -4.49 120.40 118.29 3e7n s VAL 131 Ca -0.06 -0.33 -0.13 0.00 -2.93 0.00 0.00 61.98 58.52 3e7n s VAL 131 Cb -0.09 -0.35 -0.03 0.00 -1.53 0.00 0.00 36.38 34.38 3e7n s VAL 131 CO -0.02 0.02 0.29 -0.63 -3.33 0.00 0.00 175.10 171.44 3e7n s ILE 132 N -0.31 5.23 -0.12 7.04 1.01 -0.35 -1.59 121.20 132.11 3e7n s ILE 132 Ca -0.00 0.19 -0.11 0.00 0.00 0.00 0.00 60.65 60.72 3e7n s ILE 132 Cb -0.03 -3.68 -0.05 0.00 0.01 0.00 0.00 42.46 38.71 3e7n s ILE 132 CO -0.00 0.09 0.24 -0.76 0.00 0.00 0.00 174.94 174.52 3e7n s LEU 133 N 1.91 4.33 -0.17 2.97 1.43 0.23 -0.75 118.68 128.64 3e7n s LEU 133 Ca 0.10 0.54 -0.05 0.00 -1.03 0.00 0.00 54.13 53.70 3e7n s LEU 133 Cb -0.16 -2.27 -0.03 0.00 0.03 0.00 0.00 46.19 43.75 3e7n s LEU 133 CO 0.11 0.26 -0.01 0.00 0.23 0.00 0.00 176.35 176.94 3e7n s ALA 135 N 0.47 3.30 -0.18 0.00 0.00 -0.23 -0.65 121.76 124.47 3e7n s ALA 135 Ca -0.02 0.72 -0.31 0.00 0.00 0.00 0.00 51.96 52.36 3e7n s ALA 135 Cb -0.14 -3.41 0.14 0.00 0.00 0.00 0.00 23.12 19.72 3e7n s ALA 135 CO 0.02 -0.36 1.12 0.20 0.00 0.00 0.00 175.76 176.74 3e7n s GLY 136 N 1.05 -0.20 0.28 0.00 0.00 -0.70 -0.61 107.32 107.14 3e7n s GLY 136 Ca 0.56 2.04 0.02 0.00 0.00 0.00 0.00 44.72 47.34 3e7n s GLY 136 CO 0.29 0.88 0.12 -1.34 0.00 0.00 0.00 173.10 173.04 3e7n s VAL 137 N -1.56 0.49 -2.09 1.40 -7.23 -1.26 -3.79 120.40 106.36 3e7n s VAL 137 Ca 0.04 -2.00 0.31 0.00 -1.81 0.00 0.00 61.98 58.52 3e7n s VAL 137 Cb -0.01 -2.59 0.85 0.00 0.56 0.00 0.00 36.38 35.20 3e7n s VAL 137 CO -0.03 0.00 2.15 0.41 -0.31 0.00 0.00 175.10 177.32