#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 -5.17 120.51 119.28 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 -2.14 0.00 4.81 -1.26 -5.04 118.16 114.53 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 -0.00 0.00 0.02 0.00 0.00 35.03 35.05 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 3.81 0.00 1.64 1.02 -1.26 -4.81 119.74 120.14 3e7n s LYS 3 Ca 0.00 1.96 0.00 0.00 0.02 0.00 0.00 55.97 57.95 3e7n s LYS 3 Cb 0.00 -2.55 0.00 0.00 -0.52 0.00 0.00 37.83 34.76 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 0.59 -1.25 0.00 -3.33 0.00 -1.26 -4.84 105.19 95.10 3e7n n GLY 4 Ca 0.06 -2.10 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 -3.05 2.61 -2.24 -1.26 -4.87 114.28 105.47 3e7n n THR 5 Ca 0.00 -0.31 -0.45 0.00 -2.27 0.00 0.00 64.05 61.02 3e7n n THR 5 Cb 0.00 1.27 -0.03 0.00 -2.10 0.00 0.00 70.33 69.46 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 -0.19 4.85 -0.14 2.28 1.01 -1.26 -4.89 120.40 122.07 3e7n s VAL 6 Ca 0.00 -1.37 0.19 0.00 0.00 0.00 0.00 61.98 60.81 3e7n s VAL 6 Cb 0.00 -4.62 -0.16 0.00 0.00 0.00 0.00 36.38 31.61 3e7n s VAL 6 CO 0.00 -1.29 0.72 0.18 0.00 0.00 0.00 175.10 174.70 3e7n n LEU 7 N 6.20 0.59 -4.74 3.92 4.77 -1.26 -4.85 117.00 121.62 3e7n n LEU 7 Ca 0.07 0.25 -0.41 0.00 -0.03 0.00 0.00 56.01 55.88 3e7n n LEU 7 Cb 0.46 0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.60 3e7n n LEU 7 CO 0.52 0.08 1.07 0.21 -1.33 0.00 0.00 177.39 177.95 3e7n s ASN 8 N -5.40 6.73 0.11 -1.43 2.47 -1.26 -4.92 114.94 111.24 3e7n s ASN 8 Ca -0.04 2.56 -0.15 0.00 0.42 0.00 0.00 52.86 55.65 3e7n s ASN 8 Cb 0.10 -2.62 -0.05 0.00 -1.45 0.00 0.00 41.25 37.23 3e7n s ASN 8 CO 0.83 -0.65 1.51 0.77 -3.72 0.00 0.00 177.10 175.84 3e7n h SER 9 N 5.33 0.69 -0.33 -4.21 4.64 -1.99 -1.49 113.55 116.19 3e7n h SER 9 Ca -0.45 -0.37 -0.13 0.00 -0.47 0.00 0.00 61.79 60.37 3e7n h SER 9 Cb 1.22 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 63.11 3e7n h SER 9 CO 0.79 0.90 -0.30 -0.33 -0.87 0.00 0.00 176.83 177.01 3e7n h GLU 10 N 0.47 0.78 -0.49 4.77 4.39 -1.99 -0.65 114.58 121.87 3e7n h GLU 10 Ca 0.09 -0.40 -0.01 0.00 0.34 0.00 0.00 59.36 59.37 3e7n h GLU 10 Cb 0.60 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.24 3e7n h GLU 10 CO 0.04 1.03 0.25 0.82 -1.16 0.00 0.00 179.01 179.99 3e7n h ILE 11 N 0.55 1.18 -0.57 3.13 2.04 -1.96 0.37 117.51 122.26 3e7n h ILE 11 Ca 0.05 -0.49 0.01 0.00 1.00 0.00 0.00 64.86 65.43 3e7n h ILE 11 Cb 0.88 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.54 3e7n h ILE 11 CO 0.08 0.20 0.38 0.28 0.00 0.00 0.00 178.15 179.08 3e7n h SER 12 N 0.65 0.65 -0.06 1.72 0.02 -1.16 -1.02 113.55 114.35 3e7n h SER 12 Ca 0.17 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 3e7n h SER 12 Cb 0.09 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.46 3e7n h SER 12 CO -0.02 0.47 0.03 -1.28 -1.14 0.00 0.00 176.83 174.89 3e7n h SER 13 N 0.77 0.08 -0.11 3.07 0.87 -0.61 -2.13 113.55 115.49 3e7n h SER 13 Ca 0.21 -0.13 -0.13 0.00 -1.23 0.00 0.00 61.79 60.50 3e7n h SER 13 Cb -0.09 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 3e7n h SER 13 CO -0.05 0.19 -0.37 1.62 -0.53 0.00 0.00 176.83 177.70 3e7n h VAL 14 N -0.04 1.29 -0.37 2.23 3.04 -0.67 -2.72 116.25 119.02 3e7n h VAL 14 Ca 0.02 -1.52 -0.05 0.00 -1.01 0.00 0.00 66.70 64.14 3e7n h VAL 14 Cb 0.14 1.48 -0.02 0.00 -2.01 0.00 0.00 31.29 30.87 3e7n h VAL 14 CO -0.00 0.49 0.01 0.40 -1.01 0.00 0.00 177.57 177.45 3e7n h ILE 15 N 0.52 1.21 0.00 3.17 2.04 -1.14 -1.99 117.51 121.32 3e7n h ILE 15 Ca 0.05 -0.83 0.00 0.00 1.00 0.00 0.00 64.86 65.09 3e7n h ILE 15 Cb 0.87 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 37.87 3e7n h ILE 15 CO 0.08 0.29 0.00 0.77 0.00 0.00 0.00 178.15 179.28 3e7n h SER 16 N 0.56 0.00 0.24 1.72 4.64 -1.09 -2.84 113.55 116.78 3e7n h SER 16 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 3e7n h SER 16 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3e7n h SER 16 CO 0.01 0.00 -0.51 0.54 -0.87 0.00 0.00 176.83 176.00 3e7n n ARG 17 N -2.44 0.46 -2.26 4.77 1.74 -0.76 -4.99 116.66 113.19 3e7n n ARG 17 Ca 0.03 -0.32 -0.41 0.00 -0.77 0.00 0.00 57.85 56.38 3e7n n ARG 17 Cb 0.31 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.23 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 -2.75 4.46 0.50 0.55 1.43 -1.08 -5.06 118.68 116.73 3e7n s LEU 18 Ca 0.16 2.46 0.03 0.00 -1.03 0.00 0.00 54.13 55.75 3e7n s LEU 18 Cb 0.18 -3.63 -0.01 0.00 0.03 0.00 0.00 46.19 42.76 3e7n s LEU 18 CO 0.65 -0.41 0.12 -0.83 0.23 0.00 0.00 176.35 176.11 3e7n s GLY 19 N -0.32 2.77 0.19 -3.19 0.00 -1.26 -5.05 107.32 100.47 3e7n s GLY 19 Ca 0.50 -0.87 -0.33 0.00 0.00 0.00 0.00 44.72 44.02 3e7n s GLY 19 CO 0.44 -2.10 1.53 1.57 0.00 0.00 0.00 173.10 174.54 3e7n n HIS 20 N -1.37 2.28 0.00 1.90 -0.00 -1.26 -1.77 115.22 115.00 3e7n n HIS 20 Ca -0.12 0.31 0.00 0.00 0.46 0.00 0.00 57.72 58.37 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 2.92 0.00 -1.72 3.57 -2.24 0.02 -4.99 114.28 111.85 3e7n n THR 21 Ca 0.15 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.54 3e7n n THR 21 Cb 0.30 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.57 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 2.38 -4.50 3.42 8.00 -0.73 -4.63 116.55 120.50 3e7n n ASP 22 Ca 0.00 0.97 -0.27 0.00 0.71 0.00 0.00 54.79 56.20 3e7n n ASP 22 Cb 0.00 -1.54 -0.11 0.00 -0.02 0.00 0.00 41.12 39.45 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 -1.31 2.77 -0.03 -3.53 -4.23 -1.26 -1.22 115.64 106.83 3e7n s THR 23 Ca 0.71 -1.83 0.02 0.00 -1.18 0.00 0.00 61.69 59.40 3e7n s THR 23 Cb -0.43 -2.35 0.01 0.00 1.34 0.00 0.00 72.50 71.07 3e7n s THR 23 CO 0.50 -0.10 -0.06 -0.22 -0.54 0.00 0.00 174.62 174.19 3e7n s LEU 24 N -2.73 1.60 -0.13 4.79 2.96 -0.26 -0.84 118.68 124.08 3e7n s LEU 24 Ca 0.23 -0.13 -0.03 0.00 -0.22 0.00 0.00 54.13 53.97 3e7n s LEU 24 Cb -0.08 -0.43 -0.03 0.00 0.50 0.00 0.00 46.19 46.14 3e7n s LEU 24 CO 0.12 0.00 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.45 3e7n s VAL 25 N 0.49 4.10 -0.19 1.68 1.01 -0.48 -0.22 120.40 126.79 3e7n s VAL 25 Ca -0.07 -0.30 -0.03 0.00 0.00 0.00 0.00 61.98 61.58 3e7n s VAL 25 Cb -0.10 -2.77 -0.01 0.00 0.00 0.00 0.00 36.38 33.50 3e7n s VAL 25 CO 0.00 0.53 -0.06 -0.69 0.00 0.00 0.00 175.10 174.89 3e7n s VAL 26 N -0.13 3.38 0.34 2.92 1.01 -0.67 0.33 120.40 127.57 3e7n s VAL 26 Ca 0.04 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.54 3e7n s VAL 26 Cb -0.13 -2.50 -0.06 0.00 0.00 0.00 0.00 36.38 33.69 3e7n s VAL 26 CO 0.02 0.45 0.06 0.00 0.00 0.00 0.00 175.10 175.64 3e7n s ASP 28 N -3.51 4.17 0.50 0.00 1.47 -0.86 -1.23 116.67 117.21 3e7n s ASP 28 Ca 0.35 -0.43 0.33 0.00 1.18 0.00 0.00 52.55 53.98 3e7n s ASP 28 Cb 0.08 0.14 1.63 0.00 -0.34 0.00 0.00 42.92 44.44 3e7n s ASP 28 CO 0.15 -2.00 2.01 0.00 0.68 0.00 0.00 175.17 176.01 3e7n h ALA 29 N -0.64 1.00 -0.01 2.11 0.00 -0.94 -3.06 119.26 117.72 3e7n h ALA 29 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3e7n h ALA 29 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3e7n h ALA 29 CO 0.38 0.00 -0.10 0.41 0.00 0.00 0.00 179.25 179.94 3e7n n GLY 30 N -0.62 -0.15 3.74 0.00 0.00 -1.26 -5.02 105.19 101.88 3e7n n GLY 30 Ca -0.01 -0.36 -0.41 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 -1.34 4.45 0.46 0.99 2.96 -1.16 -5.00 118.68 120.04 3e7n s LEU 31 Ca 0.13 2.33 -0.22 0.00 -0.22 0.00 0.00 54.13 56.15 3e7n s LEU 31 Cb 0.10 -3.61 -0.08 0.00 0.50 0.00 0.00 46.19 43.10 3e7n s LEU 31 CO 0.22 -0.40 1.08 -2.16 -1.32 0.00 0.00 176.35 173.77 3e7n s PRO 32 N -0.52 3.87 -0.22 0.98 0.04 -1.26 -4.99 135.00 132.89 3e7n s PRO 32 Ca 0.52 1.53 -0.00 0.00 0.04 0.00 0.00 61.00 63.09 3e7n s PRO 32 Cb -0.34 -2.31 0.03 0.00 0.04 0.00 0.00 34.50 31.92 3e7n s PRO 32 CO 0.39 -0.40 -0.12 0.42 0.04 0.00 0.00 177.00 177.33 3e7n s ILE 33 N -1.75 2.51 0.59 0.56 1.01 -1.26 -5.10 121.20 117.76 3e7n s ILE 33 Ca 0.64 -1.06 -0.19 0.00 0.00 0.00 0.00 60.65 60.04 3e7n s ILE 33 Cb -0.22 -2.23 -0.04 0.00 0.01 0.00 0.00 42.46 39.99 3e7n s ILE 33 CO 0.26 0.30 1.19 -2.84 0.00 0.00 0.00 174.94 173.85 3e7n s PRO 34 N 1.29 3.01 0.00 2.79 0.02 -1.26 -4.91 135.00 135.93 3e7n s PRO 34 Ca 0.01 1.79 0.28 0.00 0.02 0.00 0.00 61.00 63.09 3e7n s PRO 34 Cb -0.16 -1.94 1.37 0.00 0.02 0.00 0.00 34.50 33.80 3e7n s PRO 34 CO -0.07 -1.17 1.94 0.27 -0.33 0.00 0.00 177.00 177.64 3e7n n ASN 35 N -1.58 0.00 0.00 2.53 0.23 -1.26 -2.56 115.26 112.62 3e7n n ASN 35 Ca 0.13 -0.03 0.11 0.00 -0.53 0.00 0.00 54.58 54.26 3e7n n ASN 35 Cb 0.50 -0.31 0.66 0.00 -2.08 0.00 0.00 39.78 38.55 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 -1.31 0.00 -4.14 0.53 3.41 -1.26 -4.82 113.62 106.03 3e7n n SER 36 Ca 0.12 -0.98 -0.14 0.00 -0.26 0.00 0.00 58.87 57.62 3e7n n SER 36 Cb 0.23 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.07 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 0.81 0.36 6.66 -1.32 -1.06 -4.91 115.64 114.18 3e7n s THR 37 Ca 0.33 -1.48 -0.26 0.00 -1.21 0.00 0.00 61.69 59.07 3e7n s THR 37 Cb 0.15 -1.16 -0.09 0.00 -1.51 0.00 0.00 72.50 69.90 3e7n s THR 37 CO 0.26 -0.51 1.09 0.00 -2.21 0.00 0.00 174.62 173.25 3e7n s ALA 38 N -2.16 3.21 -0.28 11.08 0.00 -1.21 -4.87 121.76 127.53 3e7n s ALA 38 Ca 0.01 0.83 -0.06 0.00 0.00 0.00 0.00 51.96 52.74 3e7n s ALA 38 Cb -0.05 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.76 3e7n s ALA 38 CO -0.00 -0.27 0.06 0.50 0.00 0.00 0.00 175.76 176.05 3e7n s ARG 39 N -2.08 3.18 -0.35 0.00 3.52 -1.26 -0.85 118.95 121.11 3e7n s ARG 39 Ca 0.53 -0.79 -0.02 0.00 -0.13 0.00 0.00 55.73 55.32 3e7n s ARG 39 Cb -0.28 -3.32 0.08 0.00 -1.56 0.00 0.00 34.95 29.88 3e7n s ARG 39 CO 0.35 -0.39 0.10 0.42 -0.81 0.00 0.00 175.30 174.97 3e7n s ILE 40 N 1.51 3.06 0.21 4.11 1.01 -0.20 -4.97 121.20 125.94 3e7n s ILE 40 Ca 0.03 -1.77 -0.01 0.00 0.00 0.00 0.00 60.65 58.91 3e7n s ILE 40 Cb -0.17 -2.96 -0.04 0.00 0.01 0.00 0.00 42.46 39.30 3e7n s ILE 40 CO 0.02 -0.41 0.41 -0.62 0.00 0.00 0.00 174.94 174.34 3e7n s ASP 41 N 1.47 6.39 0.13 3.58 -1.08 -1.26 -0.51 116.67 125.38 3e7n s ASP 41 Ca 0.02 0.44 0.00 0.00 -0.52 0.00 0.00 52.55 52.49 3e7n s ASP 41 Cb -0.21 -2.03 0.00 0.00 -1.46 0.00 0.00 42.92 39.23 3e7n s ASP 41 CO -0.03 -0.07 0.00 0.00 0.52 0.00 0.00 175.17 175.59 3e7n n ALA 43 N -0.72 -2.46 -0.12 3.66 0.00 -0.83 -4.94 120.51 115.10 3e7n n ALA 43 Ca -0.04 0.27 -0.23 0.00 0.00 0.00 0.00 53.44 53.44 3e7n n ALA 43 Cb 0.54 -1.04 -0.08 0.00 0.00 0.00 0.00 19.45 18.87 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 0.98 1.94 -3.85 0.00 7.94 -0.31 -4.94 117.00 118.77 3e7n n LEU 44 Ca 0.00 0.35 -0.09 0.00 -1.11 0.00 0.00 56.01 55.17 3e7n n LEU 44 Cb 0.00 -0.81 0.01 0.00 0.53 0.00 0.00 43.42 43.14 3e7n n LEU 44 CO 0.00 0.29 0.48 0.28 -1.11 0.00 0.00 177.39 177.33 3e7n s THR 45 N -2.59 0.00 -0.10 1.96 -1.32 -1.06 -5.04 115.64 107.49 3e7n s THR 45 Ca -0.35 -1.06 -0.37 0.00 -1.21 0.00 0.00 61.69 58.70 3e7n s THR 45 Cb 0.11 -2.65 -0.15 0.00 -1.51 0.00 0.00 72.50 68.30 3e7n s THR 45 CO 0.47 0.00 1.67 0.00 -2.21 0.00 0.00 174.62 174.55 3e7n n GLN 46 N -0.51 1.52 -0.95 7.08 3.00 -1.26 -1.08 117.38 125.17 3e7n n GLN 46 Ca -0.07 0.55 0.00 0.00 -0.01 0.00 0.00 57.00 57.48 3e7n n GLN 46 Cb 0.60 -2.28 0.00 0.00 0.00 0.00 0.00 30.24 28.56 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 3.79 0.49 2.81 1.08 0.00 0.11 -4.98 105.19 108.49 3e7n n GLY 47 Ca 0.23 0.00 -0.26 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 -2.24 0.72 0.64 1.61 1.01 -0.24 -3.19 120.40 118.71 3e7n s VAL 48 Ca 0.00 -0.35 -0.12 0.00 0.00 0.00 0.00 61.98 61.51 3e7n s VAL 48 Cb 0.00 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.39 3e7n s VAL 48 CO 0.00 0.10 1.04 -2.16 0.00 0.00 0.00 175.10 174.08 3e7n s PRO 49 N 1.80 3.35 0.75 2.72 0.04 -1.26 -1.16 135.00 141.25 3e7n s PRO 49 Ca 0.02 0.89 -0.11 0.00 0.04 0.00 0.00 61.00 61.84 3e7n s PRO 49 Cb -0.15 -2.05 0.04 0.00 0.04 0.00 0.00 34.50 32.39 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 -3.78 4.87 0.00 6.66 1.04 -1.19 -0.09 113.70 121.20 3e7n s SER 50 Ca 0.57 1.50 0.00 0.00 0.48 0.00 0.00 55.95 58.51 3e7n s SER 50 Cb -0.13 -2.30 0.00 0.00 0.10 0.00 0.00 66.02 63.69 3e7n s SER 50 CO 0.50 -1.75 0.00 0.33 0.98 0.00 0.00 173.24 173.30 3e7n n PHE 51 N -3.32 0.00 0.00 5.02 7.35 -1.26 -2.42 117.46 122.83 3e7n n PHE 51 Ca 0.07 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.76 3e7n n PHE 51 Cb 0.55 -0.00 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 0.40 0.00 -0.04 -4.13 6.02 -1.26 -1.44 117.38 116.94 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 -0.09 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 1.42 -0.43 5.09 2.07 -1.83 -2.09 116.25 120.48 3e7n h VAL 54 Ca 0.00 -1.61 0.05 0.00 0.82 0.00 0.00 66.70 65.96 3e7n h VAL 54 Cb 0.00 2.27 -0.05 0.00 -1.52 0.00 0.00 31.29 31.99 3e7n h VAL 54 CO 0.00 0.46 0.17 0.58 0.02 0.00 0.00 177.57 178.80 3e7n h VAL 55 N -0.20 0.89 0.13 2.57 2.07 -1.53 -0.59 116.25 119.59 3e7n h VAL 55 Ca -0.01 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 3e7n h VAL 55 Cb 0.87 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 3e7n h VAL 55 CO 0.05 0.06 -0.07 -0.78 0.02 0.00 0.00 177.57 176.85 3e7n h ASP 56 N 0.34 -0.17 -0.38 0.57 3.58 -1.81 -1.17 116.42 117.38 3e7n h ASP 56 Ca 0.20 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.64 3e7n h ASP 56 Cb 0.17 0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.25 3e7n h ASP 56 CO -0.19 -0.12 0.17 0.58 -2.88 0.00 0.00 179.24 176.80 3e7n h VAL 57 N -0.19 1.18 -0.60 2.25 2.07 -0.99 -2.46 116.25 117.52 3e7n h VAL 57 Ca -0.02 -0.55 0.06 0.00 0.82 0.00 0.00 66.70 67.02 3e7n h VAL 57 Cb 0.15 0.84 -0.06 0.00 -1.52 0.00 0.00 31.29 30.70 3e7n h VAL 57 CO 0.02 0.20 0.29 0.58 0.02 0.00 0.00 177.57 178.69 3e7n h VAL 58 N 0.47 0.91 0.00 2.57 2.07 -1.02 -2.07 116.25 119.19 3e7n h VAL 58 Ca 0.13 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.46 3e7n h VAL 58 Cb 0.16 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 3e7n h VAL 58 CO -0.01 0.10 0.00 0.35 0.02 0.00 0.00 177.57 178.03 3e7n n THR 59 N -4.87 0.13 0.17 2.57 -2.24 -0.45 -2.04 114.28 107.54 3e7n n THR 59 Ca 0.07 0.03 0.03 0.00 -2.27 0.00 0.00 64.05 61.91 3e7n n THR 59 Cb 0.19 -0.60 0.30 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 -1.38 -0.78 3.08 -0.92 -3.45 114.38 110.93 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 0.21 0.00 -0.32 0.00 0.08 0.00 0.00 29.97 29.93 3e7n h ARG 60 CO 0.00 0.45 0.48 0.39 -1.07 0.00 0.00 179.97 180.22 3e7n n GLU 61 N -3.70 2.95 -3.74 0.04 1.02 -0.87 -5.09 120.64 111.25 3e7n n GLU 61 Ca -0.01 -3.66 -0.23 0.00 -0.02 0.00 0.00 57.16 53.24 3e7n n GLU 61 Cb 0.52 -2.28 -0.17 0.00 -0.02 0.00 0.00 31.44 29.49 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 0.46 -0.18 3.49 -1.52 -1.26 -5.05 119.66 111.76 3e7n s GLN 63 Ca 0.56 0.07 -0.04 0.00 -1.95 0.00 0.00 55.36 54.00 3e7n s GLN 63 Cb 0.46 -1.11 -0.03 0.00 -0.22 0.00 0.00 33.01 32.11 3e7n s GLN 63 CO -0.17 -0.38 -0.02 0.08 -0.25 0.00 0.00 175.29 174.55 3e7n s VAL 64 N 2.00 3.91 -0.36 1.09 1.01 -1.24 -1.51 120.40 125.30 3e7n s VAL 64 Ca 0.04 -0.34 0.13 0.00 0.00 0.00 0.00 61.98 61.81 3e7n s VAL 64 Cb -0.13 -2.74 -0.17 0.00 0.00 0.00 0.00 36.38 33.34 3e7n s VAL 64 CO -0.05 0.46 0.44 -1.84 0.00 0.00 0.00 175.10 174.11 3e7n n GLU 65 N 3.89 1.75 -3.44 2.72 0.28 0.05 -4.68 120.64 121.21 3e7n n GLU 65 Ca -0.17 -0.05 -0.12 0.00 -0.16 0.00 0.00 57.16 56.65 3e7n n GLU 65 Cb 0.52 -1.20 -0.02 0.00 1.43 0.00 0.00 31.44 32.17 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 -2.52 -1.64 -0.00 -1.84 0.00 -1.19 -2.29 121.76 112.29 3e7n s ALA 66 Ca 0.01 0.63 0.01 0.00 0.00 0.00 0.00 51.96 52.60 3e7n s ALA 66 Cb 0.09 0.74 -0.00 0.00 0.00 0.00 0.00 23.12 23.95 3e7n s ALA 66 CO 0.54 -0.71 -0.02 0.00 0.00 0.00 0.00 175.76 175.57 3e7n s ALA 67 N -3.39 0.14 -0.05 0.00 0.00 0.32 -0.78 121.76 118.01 3e7n s ALA 67 Ca -0.00 -0.07 0.05 0.00 0.00 0.00 0.00 51.96 51.94 3e7n s ALA 67 Cb -0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.06 3e7n s ALA 67 CO -0.10 0.03 -0.22 0.42 0.00 0.00 0.00 175.76 175.90 3e7n s ILE 68 N -0.03 2.38 0.15 0.00 1.01 0.28 -1.54 121.20 123.46 3e7n s ILE 68 Ca 0.01 -0.96 0.05 0.00 0.00 0.00 0.00 60.65 59.74 3e7n s ILE 68 Cb -0.01 -1.89 -0.04 0.00 0.01 0.00 0.00 42.46 40.53 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 -0.38 2.53 0.16 2.97 1.43 -0.08 -1.42 118.68 123.88 3e7n s LEU 69 Ca 0.03 -1.01 -0.30 0.00 -1.03 0.00 0.00 54.13 51.82 3e7n s LEU 69 Cb -0.12 -0.36 -0.07 0.00 0.03 0.00 0.00 46.19 45.67 3e7n s LEU 69 CO 0.02 -0.32 1.13 0.00 0.23 0.00 0.00 176.35 177.40 3e7n s ALA 70 N -3.30 3.38 0.41 4.21 0.00 -1.26 -1.37 121.76 123.83 3e7n s ALA 70 Ca 0.17 0.83 0.18 0.00 0.00 0.00 0.00 51.96 53.14 3e7n s ALA 70 Cb 0.02 -3.38 1.10 0.00 0.00 0.00 0.00 23.12 20.87 3e7n s ALA 70 CO 0.01 -0.27 1.82 1.15 0.00 0.00 0.00 175.76 178.46 3e7n h THR 71 N 3.88 0.61 -0.06 0.00 2.02 -1.07 -2.35 112.91 115.94 3e7n h THR 71 Ca -0.44 -0.14 0.02 0.00 0.77 0.00 0.00 66.41 66.62 3e7n h THR 71 Cb 1.21 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 67.80 3e7n h THR 71 CO 0.74 0.07 0.10 -0.33 0.37 0.00 0.00 175.52 176.47 3e7n h GLU 72 N 0.40 0.00 -0.01 6.66 3.07 -1.92 -2.58 114.58 120.19 3e7n h GLU 72 Ca 0.52 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 59.31 3e7n h GLU 72 Cb 1.34 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.24 3e7n h GLU 72 CO -0.22 0.00 -0.33 0.97 -1.40 0.00 0.00 179.01 178.03 3e7n h ILE 73 N 0.00 1.24 -0.04 3.13 2.10 -1.71 -2.05 117.51 120.19 3e7n h ILE 73 Ca 0.03 -1.15 0.01 0.00 1.08 0.00 0.00 64.86 64.83 3e7n h ILE 73 Cb 0.22 1.60 -0.01 0.00 -1.09 0.00 0.00 36.82 37.54 3e7n h ILE 73 CO -0.00 0.33 -0.02 0.11 -1.08 0.00 0.00 178.15 177.49 3e7n h LYS 74 N 0.02 -0.02 0.04 2.19 1.57 -1.66 -1.06 116.57 117.64 3e7n h LYS 74 Ca 0.00 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.49 3e7n h LYS 74 Cb 0.59 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.87 3e7n h LYS 74 CO 0.04 -0.02 -1.64 1.96 -0.57 0.00 0.00 179.45 179.23 3e7n h GLN 75 N -0.02 0.07 0.00 3.15 1.08 -1.74 -3.32 115.11 114.33 3e7n h GLN 75 Ca 0.02 -0.13 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 3e7n h GLN 75 Cb 0.06 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 3e7n h GLN 75 CO -0.05 0.75 -0.97 1.04 -0.95 0.00 0.00 178.83 178.65 3e7n n GLN 76 N -3.20 0.04 -2.88 1.46 6.02 -0.77 -4.45 117.38 113.59 3e7n n GLN 76 Ca -0.17 -0.01 -0.12 0.00 -0.01 0.00 0.00 57.00 56.69 3e7n n GLN 76 Cb 1.04 -1.50 0.04 0.00 1.02 0.00 0.00 30.24 30.83 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 -1.55 -0.35 0.05 1.08 2.85 -0.41 -4.67 115.26 112.27 3e7n n ASN 77 Ca 0.04 -3.06 0.02 0.00 -0.11 0.00 0.00 54.58 51.47 3e7n n ASN 77 Cb 0.34 0.36 0.36 0.00 1.24 0.00 0.00 39.78 42.08 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 2.85 0.40 -0.29 1.20 0.13 -1.65 -0.93 132.00 133.71 3e7n h PRO 78 Ca -0.05 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 3e7n h PRO 78 Cb 1.10 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 3e7n h PRO 78 CO 0.31 0.44 0.19 1.96 -0.23 0.00 0.00 178.00 180.67 3e7n h GLN 79 N 0.39 0.38 -0.33 0.86 7.50 -1.91 -1.23 115.11 120.76 3e7n h GLN 79 Ca 0.09 -0.02 -0.16 0.00 0.50 0.00 0.00 58.65 59.05 3e7n h GLN 79 Cb 0.28 -0.08 -0.00 0.00 0.05 0.00 0.00 27.48 27.72 3e7n h GLN 79 CO 0.01 0.25 -0.43 1.25 -1.50 0.00 0.00 178.83 178.41 3e7n h LEU 80 N 0.39 0.95 -0.32 1.46 5.85 -1.84 -2.20 115.31 119.59 3e7n h LEU 80 Ca 0.11 -0.49 0.07 0.00 0.84 0.00 0.00 57.88 58.41 3e7n h LEU 80 Cb -0.04 -0.27 -0.08 0.00 0.37 0.00 0.00 40.66 40.64 3e7n h LEU 80 CO -0.03 1.26 -0.22 -0.74 -0.34 0.00 0.00 178.44 178.37 3e7n h HIS 81 N 0.67 -0.58 0.14 1.25 2.76 -1.01 -0.79 115.15 117.60 3e7n h HIS 81 Ca 0.04 0.04 0.01 0.00 -2.20 0.00 0.00 60.37 58.27 3e7n h HIS 81 Cb 1.02 0.30 -0.02 0.00 1.55 0.00 0.00 27.41 30.26 3e7n h HIS 81 CO 0.07 -0.30 -0.21 1.49 -1.30 0.00 0.00 177.93 177.68 3e7n h GLU 82 N -0.19 -0.40 -0.79 5.26 4.81 -1.17 -1.09 114.58 121.01 3e7n h GLU 82 Ca 0.17 0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.52 3e7n h GLU 82 Cb 0.44 0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.86 3e7n h GLU 82 CO -0.43 -0.27 0.52 1.15 -0.73 0.00 0.00 179.01 179.25 3e7n h THR 83 N -0.42 0.93 -0.15 0.32 2.02 -0.98 -0.07 112.91 114.57 3e7n h THR 83 Ca 0.02 -0.24 -0.14 0.00 0.77 0.00 0.00 66.41 66.82 3e7n h THR 83 Cb 0.42 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 3e7n h THR 83 CO -0.10 0.13 -0.45 0.25 0.37 0.00 0.00 175.52 175.72 3e7n h LEU 84 N 0.70 0.66 -0.92 2.58 5.85 -0.84 -1.92 115.31 121.42 3e7n h LEU 84 Ca 0.37 -0.60 -0.00 0.00 0.84 0.00 0.00 57.88 58.49 3e7n h LEU 84 Cb 0.49 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 3e7n h LEU 84 CO -0.14 1.14 0.56 -0.07 -0.34 0.00 0.00 178.44 179.58 3e7n h LEU 85 N 0.21 1.10 -0.52 2.25 3.38 0.02 0.24 115.31 122.00 3e7n h LEU 85 Ca -0.01 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3e7n h LEU 85 Cb 1.08 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 3e7n h LEU 85 CO 0.10 0.84 0.27 0.74 0.09 0.00 0.00 178.44 180.47 3e7n h THR 86 N 1.26 1.19 -0.28 0.22 2.02 -1.03 -0.65 112.91 115.64 3e7n h THR 86 Ca 0.33 -0.50 -0.02 0.00 0.77 0.00 0.00 66.41 66.99 3e7n h THR 86 Cb -0.06 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 3e7n h THR 86 CO -0.06 0.20 0.11 -0.74 0.37 0.00 0.00 175.52 175.40 3e7n h HIS 87 N 0.69 0.42 -0.18 3.16 -0.00 -0.87 -1.71 115.15 116.67 3e7n h HIS 87 Ca 0.18 -0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.49 3e7n h HIS 87 Cb 0.09 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 27.36 3e7n h HIS 87 CO -0.01 0.42 -0.01 -0.07 -0.00 0.00 0.00 177.93 178.26 3e7n h LEU 88 N 0.30 0.23 -0.50 0.26 3.38 -0.87 0.31 115.31 118.42 3e7n h LEU 88 Ca 0.09 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 3e7n h LEU 88 Cb 0.18 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3e7n h LEU 88 CO -0.01 0.29 0.07 -0.08 0.09 0.00 0.00 178.44 178.81 3e7n h GLU 89 N 0.25 0.83 -0.32 1.13 4.81 -0.73 -1.77 114.58 118.78 3e7n h GLU 89 Ca 0.06 -0.23 -0.14 0.00 -0.13 0.00 0.00 59.36 58.92 3e7n h GLU 89 Cb 0.20 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 3e7n h GLU 89 CO 0.01 0.83 -0.38 1.96 -0.73 0.00 0.00 179.01 180.70 3e7n h GLN 90 N 0.71 0.76 -0.18 1.92 4.20 -0.71 -2.91 115.11 118.91 3e7n h GLN 90 Ca 0.15 -0.38 -0.00 0.00 0.06 0.00 0.00 58.65 58.47 3e7n h GLN 90 Cb 0.41 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 3e7n h GLN 90 CO 0.01 1.01 0.09 1.25 -0.67 0.00 0.00 178.83 180.52 3e7n h LEU 91 N 0.63 0.23 -1.17 1.46 5.85 -0.89 -1.29 115.31 120.12 3e7n h LEU 91 Ca 0.06 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 3e7n h LEU 91 Cb 0.92 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.86 3e7n h LEU 91 CO 0.08 0.25 0.46 0.06 -0.34 0.00 0.00 178.44 178.96 3e7n h GLN 92 N 0.18 1.03 -0.02 1.25 3.07 -1.33 0.15 115.11 119.44 3e7n h GLN 92 Ca 0.06 -0.08 -0.00 0.00 0.09 0.00 0.00 58.65 58.72 3e7n h GLN 92 Cb 0.08 -0.22 -0.00 0.00 0.08 0.00 0.00 27.48 27.42 3e7n h GLN 92 CO -0.01 0.71 0.01 1.96 0.09 0.00 0.00 178.83 181.59 3e7n h GLN 93 N 1.05 0.03 -0.84 0.06 4.20 -1.28 0.17 115.11 118.50 3e7n h GLN 93 Ca 0.27 -0.00 0.05 0.00 0.06 0.00 0.00 58.65 59.04 3e7n h GLN 93 Cb -0.05 -0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.67 3e7n h GLN 93 CO -0.05 0.17 0.55 1.25 -0.67 0.00 0.00 178.83 180.08 3e7n h HIS 94 N -0.12 0.96 0.00 2.96 2.76 -0.58 -2.43 115.15 118.70 3e7n h HIS 94 Ca 0.01 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.14 3e7n h HIS 94 Cb 0.16 -0.32 -0.01 0.00 1.55 0.00 0.00 27.41 28.79 3e7n h HIS 94 CO -0.02 0.52 -0.31 1.96 -1.30 0.00 0.00 177.93 178.78 3e7n h GLN 95 N 0.96 0.00 -0.09 5.26 4.20 -0.56 -3.48 115.11 121.41 3e7n h GLN 95 Ca 0.35 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 59.05 3e7n h GLN 95 Cb 0.16 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.94 3e7n h GLN 95 CO -0.12 0.31 -0.02 0.41 -0.67 0.00 0.00 178.83 178.74 3e7n n GLY 96 N 1.09 0.37 0.00 3.46 0.00 0.51 -4.97 105.19 105.65 3e7n n GLY 96 Ca 0.02 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.12 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 1.86 0.52 -3.88 1.61 6.94 -0.64 -4.99 115.26 116.68 3e7n n ASN 97 Ca -0.01 -0.89 -0.28 0.00 -0.02 0.00 0.00 54.58 53.38 3e7n n ASN 97 Cb 0.35 0.00 -0.16 0.00 -2.36 0.00 0.00 39.78 37.60 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 -1.60 1.10 -0.18 5.53 -1.32 -1.26 -4.43 115.64 113.46 3e7n s THR 98 Ca 0.00 -0.65 -0.29 0.00 -1.21 0.00 0.00 61.69 59.55 3e7n s THR 98 Cb 0.00 -1.29 0.00 0.00 -1.51 0.00 0.00 72.50 69.70 3e7n s THR 98 CO 0.00 0.11 1.00 -0.63 -2.21 0.00 0.00 174.62 172.89 3e7n s ILE 99 N 1.63 4.74 -0.07 5.08 1.01 -1.26 -4.90 121.20 127.43 3e7n s ILE 99 Ca 0.00 1.98 -0.26 0.00 0.00 0.00 0.00 60.65 62.38 3e7n s ILE 99 Cb -0.15 -4.29 -0.03 0.00 0.01 0.00 0.00 42.46 38.00 3e7n s ILE 99 CO -0.08 -0.10 0.83 -0.54 0.00 0.00 0.00 174.94 175.05 3e7n s LYS 100 N 2.70 4.44 -0.12 2.79 1.02 -0.97 -4.91 119.74 124.70 3e7n s LYS 100 Ca 0.45 1.10 -0.02 0.00 0.02 0.00 0.00 55.97 57.51 3e7n s LYS 100 Cb -0.16 -3.48 -0.03 0.00 -0.52 0.00 0.00 37.83 33.64 3e7n s LYS 100 CO 0.11 -0.07 -0.05 0.42 -0.92 0.00 0.00 175.35 174.84 3e7n s ILE 101 N 1.20 3.82 0.14 2.17 1.09 -1.26 -0.52 121.20 127.85 3e7n s ILE 101 Ca 0.43 -0.40 0.01 0.00 -1.10 0.00 0.00 60.65 59.58 3e7n s ILE 101 Cb -0.18 -2.63 -0.04 0.00 -1.06 0.00 0.00 42.46 38.54 3e7n s ILE 101 CO 0.20 0.54 0.00 -0.94 -0.10 0.00 0.00 174.94 174.64 3e7n s SER 102 N -0.15 0.90 -0.04 3.58 1.04 -0.59 -4.98 113.70 113.46 3e7n s SER 102 Ca 0.02 -1.14 0.03 0.00 0.48 0.00 0.00 55.95 55.35 3e7n s SER 102 Cb -0.13 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.16 3e7n s SER 102 CO 0.03 -0.60 -0.13 -0.31 0.98 0.00 0.00 173.24 173.21 3e7n s TYR 103 N -3.78 1.35 0.30 5.02 2.02 -1.26 -0.90 117.35 120.09 3e7n s TYR 103 Ca 0.20 -0.40 0.03 0.00 -0.37 0.00 0.00 57.07 56.53 3e7n s TYR 103 Cb 0.06 -0.95 -0.06 0.00 -0.40 0.00 0.00 41.96 40.62 3e7n s TYR 103 CO 0.01 -0.17 0.08 0.95 -1.57 0.00 0.00 175.55 174.84 3e7n s THR 104 N 0.28 0.88 0.71 -0.71 -4.23 -0.47 -4.85 115.64 107.24 3e7n s THR 104 Ca -0.07 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.29 3e7n s THR 104 Cb -0.12 -2.71 0.03 0.00 1.34 0.00 0.00 72.50 71.04 3e7n s THR 104 CO 0.02 0.00 1.18 0.42 -0.54 0.00 0.00 174.62 175.70 3e7n s THR 105 N -3.51 2.57 0.29 3.99 -4.23 -1.26 -0.46 115.64 113.03 3e7n s THR 105 Ca 0.37 0.28 -0.02 0.00 -1.18 0.00 0.00 61.69 61.13 3e7n s THR 105 Cb 0.08 -2.83 0.26 0.00 1.34 0.00 0.00 72.50 71.36 3e7n s THR 105 CO 0.15 -0.15 1.95 -0.74 -0.54 0.00 0.00 174.62 175.29 3e7n h HIS 106 N -0.18 1.09 -0.65 3.99 2.76 -1.93 0.43 115.15 120.67 3e7n h HIS 106 Ca -0.47 0.03 0.08 0.00 -2.20 0.00 0.00 60.37 57.80 3e7n h HIS 106 Cb 1.28 -0.37 -0.06 0.00 1.55 0.00 0.00 27.41 29.81 3e7n h HIS 106 CO 0.49 0.66 0.31 1.49 -1.30 0.00 0.00 177.93 179.59 3e7n h GLU 107 N 1.15 0.55 -0.09 5.26 4.57 -2.00 -0.68 114.58 123.34 3e7n h GLU 107 Ca 0.33 -0.03 -0.18 0.00 -1.18 0.00 0.00 59.36 58.30 3e7n h GLU 107 Cb -0.07 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 28.39 3e7n h GLU 107 CO -0.08 0.36 -0.71 0.37 -1.18 0.00 0.00 179.01 177.77 3e7n h GLN 108 N 0.56 0.42 -0.16 1.92 5.75 -1.68 -2.85 115.11 119.08 3e7n h GLN 108 Ca 0.31 -0.34 0.04 0.00 -0.15 0.00 0.00 58.65 58.51 3e7n h GLN 108 Cb 0.29 0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.87 3e7n h GLN 108 CO -0.24 0.97 -0.06 0.35 -2.65 0.00 0.00 178.83 177.20 3e7n h PHE 109 N 0.29 -0.13 -0.75 3.99 3.57 -0.28 -1.07 116.94 122.56 3e7n h PHE 109 Ca -0.03 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.56 3e7n h PHE 109 Cb 1.28 0.08 -0.06 0.00 2.79 0.00 0.00 35.95 40.05 3e7n h PHE 109 CO 0.04 -0.10 0.43 0.87 -2.23 0.00 0.00 178.31 177.33 3e7n h LYS 110 N -0.03 0.74 -0.65 1.11 1.57 -1.07 -1.39 116.57 116.86 3e7n h LYS 110 Ca 0.08 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.83 3e7n h LYS 110 Cb 0.16 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 3e7n h LYS 110 CO -0.18 0.49 0.43 0.87 -0.57 0.00 0.00 179.45 180.48 3e7n h LYS 111 N 0.76 0.84 -0.16 3.15 1.57 -1.20 -1.90 116.57 119.64 3e7n h LYS 111 Ca 0.34 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 59.06 3e7n h LYS 111 Cb 0.23 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 3e7n h LYS 111 CO -0.20 0.56 0.03 -0.07 -0.57 0.00 0.00 179.45 179.20 3e7n h LEU 112 N 0.87 0.19 -2.13 2.94 3.38 -0.25 -1.91 115.31 118.39 3e7n h LEU 112 Ca 0.24 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 3e7n h LEU 112 Cb -0.08 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 3e7n h LEU 112 CO -0.06 0.21 -0.07 0.71 0.09 0.00 0.00 178.44 179.32 3e7n h THR 113 N 0.22 0.59 0.00 0.22 1.35 -0.44 -1.33 112.91 113.51 3e7n h THR 113 Ca 0.05 -0.31 -0.00 0.00 -0.55 0.00 0.00 66.41 65.60 3e7n h THR 113 Cb 0.10 1.20 -0.00 0.00 -1.73 0.00 0.00 68.15 67.72 3e7n h THR 113 CO -0.00 0.07 -0.01 0.00 -0.25 0.00 0.00 175.52 175.33 3e7n h ALA 114 N 1.93 1.04 -0.03 6.62 0.00 -1.30 -2.55 119.26 124.98 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 0.01 -0.14 -0.25 0.00 0.00 0.00 179.25 178.88 3e7n n ASP 115 N -3.15 2.72 -4.85 0.00 8.00 -0.50 -4.61 116.55 114.15 3e7n n ASP 115 Ca -0.02 -1.86 -0.30 0.00 0.71 0.00 0.00 54.79 53.32 3e7n n ASP 115 Cb 0.13 0.13 0.07 0.00 -0.02 0.00 0.00 41.12 41.43 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 -2.14 4.98 0.14 -2.24 1.04 -0.96 -4.73 113.70 109.79 3e7n s SER 116 Ca 0.25 1.18 0.03 0.00 0.48 0.00 0.00 55.95 57.89 3e7n s SER 116 Cb 0.19 -1.93 -0.11 0.00 0.10 0.00 0.00 66.02 64.28 3e7n s SER 116 CO 0.38 -1.64 1.31 1.56 0.98 0.00 0.00 173.24 175.83 3e7n h GLN 117 N -0.86 0.13 -2.60 4.02 1.08 -1.32 -3.44 115.11 112.12 3e7n h GLN 117 Ca -0.46 -0.18 0.01 0.00 -1.45 0.00 0.00 58.65 56.57 3e7n h GLN 117 Cb 1.26 0.06 -0.14 0.00 -0.05 0.00 0.00 27.48 28.61 3e7n h GLN 117 CO 0.62 1.00 0.29 0.00 -0.95 0.00 0.00 178.83 179.79 3e7n s ALA 118 N -2.95 -1.70 -0.20 3.87 0.00 -1.26 -3.36 121.76 116.17 3e7n s ALA 118 Ca -0.02 0.80 -0.01 0.00 0.00 0.00 0.00 51.96 52.73 3e7n s ALA 118 Cb 0.10 0.56 0.01 0.00 0.00 0.00 0.00 23.12 23.78 3e7n s ALA 118 CO 0.83 -0.66 -0.12 0.08 0.00 0.00 0.00 175.76 175.88 3e7n s VAL 119 N -3.07 2.71 -0.37 0.00 1.01 -0.03 -1.38 120.40 119.27 3e7n s VAL 119 Ca -0.00 -0.72 -0.16 0.00 0.00 0.00 0.00 61.98 61.09 3e7n s VAL 119 Cb -0.01 -2.19 -0.00 0.00 0.00 0.00 0.00 36.38 34.18 3e7n s VAL 119 CO -0.08 0.48 0.41 -0.63 0.00 0.00 0.00 175.10 175.29 3e7n s ILE 120 N 1.36 5.11 -0.21 2.22 1.01 0.15 -1.03 121.20 129.82 3e7n s ILE 120 Ca 0.05 -0.00 -0.21 0.00 0.00 0.00 0.00 60.65 60.49 3e7n s ILE 120 Cb -0.14 -3.91 -0.02 0.00 0.01 0.00 0.00 42.46 38.40 3e7n s ILE 120 CO -0.08 -0.21 0.64 -0.60 0.00 0.00 0.00 174.94 174.69 3e7n s ARG 121 N 2.13 4.20 0.52 2.79 3.52 0.33 -1.33 118.95 131.11 3e7n s ARG 121 Ca 0.13 0.62 0.06 0.00 -0.13 0.00 0.00 55.73 56.42 3e7n s ARG 121 Cb -0.16 -3.59 0.05 0.00 -1.56 0.00 0.00 34.95 29.69 3e7n s ARG 121 CO 0.13 -0.27 0.72 -1.54 -0.81 0.00 0.00 175.30 173.52 3e7n s SER 122 N 1.24 5.28 0.00 -2.12 1.04 -0.36 -1.96 113.70 116.82 3e7n s SER 122 Ca 0.29 -0.45 0.12 0.00 0.48 0.00 0.00 55.95 56.39 3e7n s SER 122 Cb -0.16 -0.36 0.40 0.00 0.10 0.00 0.00 66.02 66.00 3e7n s SER 122 CO 0.10 -1.12 1.31 0.61 0.98 0.00 0.00 173.24 175.12 3e7n n GLY 123 N -2.17 0.47 3.74 7.32 0.00 0.86 -3.33 105.19 112.09 3e7n n GLY 123 Ca 0.11 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.61 4.13 0.00 1.61 2.56 -1.24 0.05 118.70 124.20 3e7n s GLU 124 Ca 0.24 2.56 0.11 0.00 0.00 0.00 0.00 54.97 57.89 3e7n s GLU 124 Cb 0.13 -3.05 -0.07 0.00 2.00 0.00 0.00 34.13 33.13 3e7n s GLU 124 CO 0.17 -0.66 0.54 0.00 -0.56 0.00 0.00 175.26 174.75 3e7n s SER 126 N -1.81 3.43 0.24 0.00 1.04 -1.26 -4.98 113.70 110.36 3e7n s SER 126 Ca 0.06 1.48 -0.30 0.00 0.48 0.00 0.00 55.95 57.67 3e7n s SER 126 Cb 0.09 -2.16 -0.09 0.00 0.10 0.00 0.00 66.02 63.96 3e7n s SER 126 CO 0.38 -2.66 1.01 -2.84 0.98 0.00 0.00 173.24 170.11 3e7n s PRO 127 N -4.93 4.74 -1.51 4.02 0.02 -1.26 -4.05 135.00 132.04 3e7n s PRO 127 Ca 0.63 1.62 -0.02 0.00 0.02 0.00 0.00 61.00 63.25 3e7n s PRO 127 Cb -0.18 -3.25 0.01 0.00 0.02 0.00 0.00 34.50 31.09 3e7n s PRO 127 CO 0.57 0.34 0.22 0.66 -0.33 0.00 0.00 177.00 178.47 3e7n n TYR 128 N 1.57 -1.45 -1.80 6.54 4.01 -1.26 -4.57 117.16 120.19 3e7n n TYR 128 Ca -0.01 0.20 -0.41 0.00 -0.16 0.00 0.00 57.90 57.51 3e7n n TYR 128 Cb 0.46 -3.75 -0.00 0.00 -0.31 0.00 0.00 39.34 35.74 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 -2.66 5.95 -3.32 -0.72 0.00 -1.26 -4.73 120.51 113.78 3e7n n ALA 129 Ca -0.16 -3.92 -0.17 0.00 0.00 0.00 0.00 53.44 49.18 3e7n n ALA 129 Cb 0.64 -3.35 -0.15 0.00 0.00 0.00 0.00 19.45 16.59 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 2.34 0.59 0.00 0.00 -0.87 -1.26 -2.02 114.94 113.73 3e7n s ASN 130 Ca 0.50 -0.08 0.02 0.00 -1.57 0.00 0.00 52.86 51.73 3e7n s ASN 130 Cb 0.14 -0.22 -0.01 0.00 -0.02 0.00 0.00 41.25 41.15 3e7n s ASN 130 CO -0.07 -0.02 -0.06 0.54 -2.57 0.00 0.00 177.10 174.92 3e7n s VAL 131 N 0.53 0.46 -0.31 1.60 0.11 -0.07 -4.48 120.40 118.24 3e7n s VAL 131 Ca -0.06 -0.36 -0.12 0.00 -2.93 0.00 0.00 61.98 58.51 3e7n s VAL 131 Cb -0.09 -0.41 -0.03 0.00 -1.53 0.00 0.00 36.38 34.31 3e7n s VAL 131 CO -0.01 0.06 0.24 -0.63 -3.33 0.00 0.00 175.10 171.43 3e7n s ILE 132 N -0.30 5.28 -0.17 7.04 1.01 -0.51 -1.67 121.20 131.87 3e7n s ILE 132 Ca 0.01 0.04 -0.13 0.00 0.00 0.00 0.00 60.65 60.57 3e7n s ILE 132 Cb -0.03 -3.64 -0.05 0.00 0.01 0.00 0.00 42.46 38.75 3e7n s ILE 132 CO -0.00 0.11 0.24 -0.76 0.00 0.00 0.00 174.94 174.53 3e7n s LEU 133 N 1.79 4.23 -0.17 2.97 1.43 0.69 -0.55 118.68 129.08 3e7n s LEU 133 Ca 0.08 0.42 -0.07 0.00 -1.03 0.00 0.00 54.13 53.53 3e7n s LEU 133 Cb -0.17 -2.28 -0.04 0.00 0.03 0.00 0.00 46.19 43.73 3e7n s LEU 133 CO 0.11 0.12 0.05 0.00 0.23 0.00 0.00 176.35 176.86 3e7n s ALA 135 N 0.23 3.36 -0.20 0.00 0.00 -0.35 -0.77 121.76 124.02 3e7n s ALA 135 Ca 0.03 0.80 -0.32 0.00 0.00 0.00 0.00 51.96 52.48 3e7n s ALA 135 Cb -0.12 -3.41 0.15 0.00 0.00 0.00 0.00 23.12 19.74 3e7n s ALA 135 CO 0.01 -0.35 1.18 0.20 0.00 0.00 0.00 175.76 176.80 3e7n s GLY 136 N 0.74 -0.18 0.15 0.00 0.00 -0.57 -0.80 107.32 106.67 3e7n s GLY 136 Ca 0.55 2.06 0.03 0.00 0.00 0.00 0.00 44.72 47.36 3e7n s GLY 136 CO 0.31 0.83 -0.05 -1.34 0.00 0.00 0.00 173.10 172.85 3e7n s VAL 137 N -1.68 0.85 0.36 1.40 -7.23 -1.26 -3.65 120.40 109.19 3e7n s VAL 137 Ca 0.06 -1.99 -0.26 0.00 -1.81 0.00 0.00 61.98 57.98 3e7n s VAL 137 Cb -0.01 -1.93 -0.09 0.00 0.56 0.00 0.00 36.38 34.91 3e7n s VAL 137 CO -0.04 -0.66 1.04 -0.89 -0.31 0.00 0.00 175.10 174.24 3e7n s THR 138 N -3.54 3.74 -2.16 5.32 2.01 -1.26 -5.09 115.64 114.65 3e7n s THR 138 Ca 0.19 1.45 0.31 0.00 0.31 0.00 0.00 61.69 63.94 3e7n s THR 138 Cb 0.05 -3.81 0.79 0.00 0.01 0.00 0.00 72.50 69.54 3e7n s THR 138 CO 0.01 0.12 2.07 0.49 -0.69 0.00 0.00 174.62 176.62