#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 -2.23 0.00 4.81 -1.26 -5.02 118.16 114.46 3e7n n LYS 2 Ca 0.00 0.00 -0.38 0.00 -0.87 0.00 0.00 58.31 57.06 3e7n n LYS 2 Cb 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.04 3e7n n LYS 2 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 3e7n s LYS 3 N 0.00 3.85 0.00 1.64 1.02 -1.26 -4.80 119.74 120.19 3e7n s LYS 3 Ca 0.00 1.85 0.00 0.00 0.02 0.00 0.00 55.97 57.84 3e7n s LYS 3 Cb 0.00 -2.53 0.00 0.00 -0.52 0.00 0.00 37.83 34.78 3e7n s LYS 3 CO 0.00 -0.49 0.00 0.41 -0.92 0.00 0.00 175.35 174.35 3e7n n GLY 4 N 0.54 -1.53 0.00 -3.33 0.00 -1.26 -4.84 105.19 94.77 3e7n n GLY 4 Ca 0.06 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 44.02 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 -3.06 2.61 -2.24 -1.26 -4.88 114.28 105.44 3e7n n THR 5 Ca 0.00 -0.34 -0.45 0.00 -2.27 0.00 0.00 64.05 61.00 3e7n n THR 5 Cb 0.00 1.12 -0.03 0.00 -2.10 0.00 0.00 70.33 69.33 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 -0.42 4.95 -0.13 2.28 1.01 -1.26 -4.88 120.40 121.95 3e7n s VAL 6 Ca 0.00 -1.62 0.18 0.00 0.00 0.00 0.00 61.98 60.53 3e7n s VAL 6 Cb 0.00 -4.64 -0.16 0.00 0.00 0.00 0.00 36.38 31.58 3e7n s VAL 6 CO 0.00 -1.31 0.71 0.18 0.00 0.00 0.00 175.10 174.68 3e7n n LEU 7 N 5.91 0.67 -4.74 3.92 4.77 -1.26 -4.83 117.00 121.45 3e7n n LEU 7 Ca 0.13 0.29 -0.41 0.00 -0.03 0.00 0.00 56.01 55.99 3e7n n LEU 7 Cb 0.47 0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.64 3e7n n LEU 7 CO 0.48 0.15 1.10 0.21 -1.33 0.00 0.00 177.39 178.00 3e7n s ASN 8 N -5.60 6.70 0.16 -1.43 3.84 -1.26 -4.92 114.94 112.43 3e7n s ASN 8 Ca -0.04 2.59 -0.10 0.00 0.21 0.00 0.00 52.86 55.52 3e7n s ASN 8 Cb 0.09 -2.61 0.01 0.00 -0.55 0.00 0.00 41.25 38.18 3e7n s ASN 8 CO 0.82 -0.68 1.53 0.77 -2.79 0.00 0.00 177.10 176.75 3e7n h SER 9 N 5.45 1.00 -0.20 -4.21 4.64 -1.99 -1.42 113.55 116.83 3e7n h SER 9 Ca -0.45 -0.41 -0.19 0.00 -0.47 0.00 0.00 61.79 60.27 3e7n h SER 9 Cb 1.21 -0.28 0.01 0.00 -0.31 0.00 0.00 62.40 63.03 3e7n h SER 9 CO 0.80 1.20 -0.62 -0.33 -0.87 0.00 0.00 176.83 177.01 3e7n h GLU 10 N 0.82 0.77 -0.54 4.77 4.39 -1.99 -1.49 114.58 121.31 3e7n h GLU 10 Ca 0.09 -0.57 -0.03 0.00 0.34 0.00 0.00 59.36 59.20 3e7n h GLU 10 Cb 0.85 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.58 3e7n h GLU 10 CO 0.08 1.19 0.23 0.82 -1.16 0.00 0.00 179.01 180.16 3e7n h ILE 11 N 0.51 1.21 -0.49 3.13 2.04 -1.96 -0.27 117.51 121.68 3e7n h ILE 11 Ca -0.02 -0.64 0.01 0.00 1.00 0.00 0.00 64.86 65.21 3e7n h ILE 11 Cb 1.24 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.93 3e7n h ILE 11 CO 0.13 0.25 0.31 0.28 0.00 0.00 0.00 178.15 179.12 3e7n h SER 12 N 0.73 0.51 -0.34 1.72 0.02 -1.23 -1.34 113.55 113.62 3e7n h SER 12 Ca 0.18 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.11 3e7n h SER 12 Cb 0.17 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 3e7n h SER 12 CO -0.02 0.37 0.15 -1.28 -1.14 0.00 0.00 176.83 174.91 3e7n h SER 13 N 0.62 0.46 -0.48 3.07 0.87 -0.96 -2.16 113.55 114.97 3e7n h SER 13 Ca 0.19 -0.14 -0.09 0.00 -1.23 0.00 0.00 61.79 60.52 3e7n h SER 13 Cb -0.02 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 61.80 3e7n h SER 13 CO -0.07 0.48 -0.05 1.62 -0.53 0.00 0.00 176.83 178.28 3e7n h VAL 14 N 0.41 1.27 -0.70 2.23 3.04 -0.84 -3.03 116.25 118.64 3e7n h VAL 14 Ca 0.12 -1.14 -0.04 0.00 -1.01 0.00 0.00 66.70 64.62 3e7n h VAL 14 Cb 0.15 1.03 -0.03 0.00 -2.01 0.00 0.00 31.29 30.43 3e7n h VAL 14 CO -0.01 0.40 0.29 0.40 -1.01 0.00 0.00 177.57 177.63 3e7n h ILE 15 N 0.74 1.24 0.00 3.17 2.04 -1.18 -1.83 117.51 121.68 3e7n h ILE 15 Ca 0.13 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.26 3e7n h ILE 15 Cb 0.58 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 3e7n h ILE 15 CO 0.03 0.30 0.00 -1.54 0.00 0.00 0.00 178.15 176.94 3e7n n SER 16 N -4.30 0.12 -0.00 1.72 3.41 -0.82 -2.49 113.62 111.26 3e7n n SER 16 Ca 0.06 0.52 0.10 0.00 -0.26 0.00 0.00 58.87 59.29 3e7n n SER 16 Cb 0.17 -0.55 -0.12 0.00 -0.26 0.00 0.00 64.21 63.44 3e7n n SER 16 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3e7n n ARG 17 N -1.63 0.22 -2.33 4.33 1.74 -0.71 -4.98 116.66 113.31 3e7n n ARG 17 Ca 0.04 -0.02 -0.40 0.00 -0.77 0.00 0.00 57.85 56.71 3e7n n ARG 17 Cb 0.24 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.17 3e7n n ARG 17 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3e7n s LEU 18 N -3.12 4.43 0.47 0.55 1.43 -1.04 -5.07 118.68 116.33 3e7n s LEU 18 Ca 0.06 2.41 0.04 0.00 -1.03 0.00 0.00 54.13 55.62 3e7n s LEU 18 Cb 0.15 -3.72 -0.03 0.00 0.03 0.00 0.00 46.19 42.62 3e7n s LEU 18 CO 0.85 -0.38 0.09 -0.83 0.23 0.00 0.00 176.35 176.31 3e7n s GLY 19 N -0.82 2.70 0.16 -3.19 0.00 -1.26 -5.05 107.32 99.86 3e7n s GLY 19 Ca 0.49 -1.26 -0.34 0.00 0.00 0.00 0.00 44.72 43.61 3e7n s GLY 19 CO 0.44 -2.09 1.59 1.57 0.00 0.00 0.00 173.10 174.60 3e7n n HIS 20 N -1.25 2.30 0.00 1.90 -0.00 -1.26 -1.40 115.22 115.51 3e7n n HIS 20 Ca -0.10 0.25 0.00 0.00 0.46 0.00 0.00 57.72 58.33 3e7n n HIS 20 Cb 0.66 -2.55 0.00 0.00 -0.12 0.00 0.00 29.99 27.98 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 3.46 0.00 -1.59 3.57 -2.24 0.19 -4.99 114.28 112.67 3e7n n THR 21 Ca 0.17 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.59 3e7n n THR 21 Cb 0.29 0.00 0.08 0.00 -2.10 0.00 0.00 70.33 68.60 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 1.58 -4.38 3.42 8.00 -0.49 -4.66 116.55 120.02 3e7n n ASP 22 Ca 0.00 0.77 -0.24 0.00 0.71 0.00 0.00 54.79 56.03 3e7n n ASP 22 Cb 0.00 -1.51 -0.11 0.00 -0.02 0.00 0.00 41.12 39.47 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 -1.55 2.08 -0.03 -3.53 -4.23 -1.26 -1.32 115.64 105.79 3e7n s THR 23 Ca 0.80 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.32 3e7n s THR 23 Cb -0.37 -1.99 0.02 0.00 1.34 0.00 0.00 72.50 71.50 3e7n s THR 23 CO 0.43 -0.24 -0.02 -0.22 -0.54 0.00 0.00 174.62 174.03 3e7n s LEU 24 N -2.72 1.41 -0.10 4.79 2.96 -0.47 -0.85 118.68 123.70 3e7n s LEU 24 Ca 0.19 -0.06 -0.02 0.00 -0.22 0.00 0.00 54.13 54.02 3e7n s LEU 24 Cb -0.07 -0.26 -0.03 0.00 0.50 0.00 0.00 46.19 46.33 3e7n s LEU 24 CO 0.08 -0.05 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.35 3e7n s VAL 25 N 0.72 4.09 -0.17 1.68 1.01 -0.40 -0.40 120.40 126.92 3e7n s VAL 25 Ca -0.08 -0.32 -0.02 0.00 0.00 0.00 0.00 61.98 61.57 3e7n s VAL 25 Cb -0.11 -2.73 -0.01 0.00 0.00 0.00 0.00 36.38 33.53 3e7n s VAL 25 CO -0.01 0.57 -0.09 -0.69 0.00 0.00 0.00 175.10 174.88 3e7n s VAL 26 N -0.49 3.16 0.32 2.92 1.01 -0.52 0.37 120.40 127.17 3e7n s VAL 26 Ca 0.08 -0.59 0.04 0.00 0.00 0.00 0.00 61.98 61.51 3e7n s VAL 26 Cb -0.12 -2.38 -0.06 0.00 0.00 0.00 0.00 36.38 33.81 3e7n s VAL 26 CO 0.02 0.48 0.05 0.00 0.00 0.00 0.00 175.10 175.65 3e7n s ASP 28 N -3.47 3.90 0.40 0.00 1.47 -0.76 -1.28 116.67 116.93 3e7n s ASP 28 Ca 0.36 -0.06 0.28 0.00 1.18 0.00 0.00 52.55 54.31 3e7n s ASP 28 Cb 0.08 -0.20 1.39 0.00 -0.34 0.00 0.00 42.92 43.85 3e7n s ASP 28 CO 0.15 -2.18 1.86 0.00 0.68 0.00 0.00 175.17 175.68 3e7n h ALA 29 N -0.96 1.00 -0.01 2.11 0.00 -1.08 -3.08 119.26 117.24 3e7n h ALA 29 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3e7n h ALA 29 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3e7n h ALA 29 CO 0.41 0.00 -0.42 0.41 0.00 0.00 0.00 179.25 179.65 3e7n n GLY 30 N -0.66 -0.15 3.74 0.00 0.00 -1.26 -5.01 105.19 101.84 3e7n n GLY 30 Ca -0.00 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.18 4.43 0.43 0.99 2.96 -1.17 -5.00 118.68 119.16 3e7n s LEU 31 Ca 0.10 2.29 -0.23 0.00 -0.22 0.00 0.00 54.13 56.07 3e7n s LEU 31 Cb 0.11 -3.61 -0.09 0.00 0.50 0.00 0.00 46.19 43.11 3e7n s LEU 31 CO 0.44 -0.44 1.05 -2.16 -1.32 0.00 0.00 176.35 173.92 3e7n s PRO 32 N -0.12 4.01 -0.20 0.98 0.04 -1.26 -4.99 135.00 133.45 3e7n s PRO 32 Ca 0.55 1.47 -0.01 0.00 0.04 0.00 0.00 61.00 63.04 3e7n s PRO 32 Cb -0.34 -2.36 0.01 0.00 0.04 0.00 0.00 34.50 31.85 3e7n s PRO 32 CO 0.37 -0.27 -0.12 0.42 0.04 0.00 0.00 177.00 177.44 3e7n s ILE 33 N -1.77 2.68 0.55 0.56 1.01 -1.26 -5.09 121.20 117.88 3e7n s ILE 33 Ca 0.62 -0.77 -0.19 0.00 0.00 0.00 0.00 60.65 60.31 3e7n s ILE 33 Cb -0.20 -2.20 -0.05 0.00 0.01 0.00 0.00 42.46 40.01 3e7n s ILE 33 CO 0.25 0.45 1.13 -2.84 0.00 0.00 0.00 174.94 173.93 3e7n s PRO 34 N 1.37 3.30 0.00 2.79 0.02 -1.26 -4.92 135.00 136.31 3e7n s PRO 34 Ca 0.05 1.60 0.26 0.00 0.02 0.00 0.00 61.00 62.93 3e7n s PRO 34 Cb -0.14 -2.00 1.32 0.00 0.02 0.00 0.00 34.50 33.71 3e7n s PRO 34 CO -0.08 -0.89 1.89 0.27 -0.33 0.00 0.00 177.00 177.87 3e7n n ASN 35 N -1.40 0.00 0.00 2.53 0.23 -1.26 -2.28 115.26 113.08 3e7n n ASN 35 Ca 0.12 -0.07 0.10 0.00 -0.53 0.00 0.00 54.58 54.19 3e7n n ASN 35 Cb 0.51 -0.29 0.58 0.00 -2.08 0.00 0.00 39.78 38.50 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 -1.29 0.00 -4.06 0.53 3.41 -1.26 -4.83 113.62 106.11 3e7n n SER 36 Ca 0.12 -1.22 -0.14 0.00 -0.26 0.00 0.00 58.87 57.37 3e7n n SER 36 Cb 0.21 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 0.58 0.30 6.66 -1.32 -0.96 -4.90 115.64 113.99 3e7n s THR 37 Ca 0.29 -1.03 -0.29 0.00 -1.21 0.00 0.00 61.69 59.45 3e7n s THR 37 Cb 0.13 -0.63 -0.10 0.00 -1.51 0.00 0.00 72.50 70.40 3e7n s THR 37 CO 0.23 -0.33 1.16 0.00 -2.21 0.00 0.00 174.62 173.47 3e7n s ALA 38 N -1.27 3.42 -0.27 11.08 0.00 -1.21 -4.86 121.76 128.65 3e7n s ALA 38 Ca -0.08 1.01 -0.07 0.00 0.00 0.00 0.00 51.96 52.81 3e7n s ALA 38 Cb -0.09 -3.37 -0.01 0.00 0.00 0.00 0.00 23.12 19.64 3e7n s ALA 38 CO 0.00 -0.32 0.08 0.50 0.00 0.00 0.00 175.76 176.02 3e7n s ARG 39 N -1.60 3.40 -0.37 0.00 3.52 -1.26 -1.10 118.95 121.53 3e7n s ARG 39 Ca 0.46 -0.65 -0.03 0.00 -0.13 0.00 0.00 55.73 55.38 3e7n s ARG 39 Cb -0.34 -3.35 0.08 0.00 -1.56 0.00 0.00 34.95 29.78 3e7n s ARG 39 CO 0.44 -0.31 0.14 0.42 -0.81 0.00 0.00 175.30 175.18 3e7n s ILE 40 N 1.57 3.26 0.26 4.11 1.01 -0.49 -4.98 121.20 125.93 3e7n s ILE 40 Ca 0.05 -1.76 -0.00 0.00 0.00 0.00 0.00 60.65 58.93 3e7n s ILE 40 Cb -0.16 -3.09 -0.04 0.00 0.01 0.00 0.00 42.46 39.18 3e7n s ILE 40 CO 0.03 -0.47 0.45 -0.62 0.00 0.00 0.00 174.94 174.33 3e7n s ASP 41 N 1.62 6.36 0.25 3.58 -1.08 -1.26 -0.90 116.67 125.24 3e7n s ASP 41 Ca 0.03 0.42 0.00 0.00 -0.52 0.00 0.00 52.55 52.48 3e7n s ASP 41 Cb -0.22 -2.02 0.00 0.00 -1.46 0.00 0.00 42.92 39.23 3e7n s ASP 41 CO -0.03 -0.13 0.00 0.00 0.52 0.00 0.00 175.17 175.53 3e7n n ALA 43 N -1.08 -2.12 -0.13 3.66 0.00 -0.86 -4.94 120.51 115.04 3e7n n ALA 43 Ca -0.05 0.44 -0.27 0.00 0.00 0.00 0.00 53.44 53.56 3e7n n ALA 43 Cb 0.55 -1.38 -0.10 0.00 0.00 0.00 0.00 19.45 18.52 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 1.94 -3.83 0.00 7.94 -0.29 -4.95 117.00 119.11 3e7n n LEU 44 Ca 0.00 0.36 -0.07 0.00 -1.11 0.00 0.00 56.01 55.18 3e7n n LEU 44 Cb 0.00 -0.84 0.00 0.00 0.53 0.00 0.00 43.42 43.11 3e7n n LEU 44 CO 0.00 0.47 0.55 0.28 -1.11 0.00 0.00 177.39 177.58 3e7n s THR 45 N -2.50 0.00 -0.21 1.96 -1.32 -1.01 -5.04 115.64 107.52 3e7n s THR 45 Ca -0.36 -0.94 -0.40 0.00 -1.21 0.00 0.00 61.69 58.78 3e7n s THR 45 Cb 0.13 -2.49 -0.16 0.00 -1.51 0.00 0.00 72.50 68.47 3e7n s THR 45 CO 0.50 0.00 1.66 0.00 -2.21 0.00 0.00 174.62 174.57 3e7n n GLN 46 N -0.51 1.14 -0.92 7.08 3.00 -1.26 -0.78 117.38 125.12 3e7n n GLN 46 Ca -0.06 0.42 0.00 0.00 -0.01 0.00 0.00 57.00 57.34 3e7n n GLN 46 Cb 0.60 -2.09 0.00 0.00 0.00 0.00 0.00 30.24 28.75 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 3.86 0.64 2.81 1.08 0.00 0.82 -4.98 105.19 109.41 3e7n n GLY 47 Ca 0.25 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.78 0.82 0.65 1.61 1.01 0.04 -3.02 120.40 118.74 3e7n s VAL 48 Ca 0.00 -0.61 -0.11 0.00 0.00 0.00 0.00 61.98 61.26 3e7n s VAL 48 Cb 0.00 -1.17 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 3e7n s VAL 48 CO 0.00 -0.06 1.05 -2.16 0.00 0.00 0.00 175.10 173.94 3e7n s PRO 49 N 1.74 3.31 0.78 2.72 0.04 -1.26 -1.14 135.00 141.18 3e7n s PRO 49 Ca -0.01 0.69 -0.11 0.00 0.04 0.00 0.00 61.00 61.61 3e7n s PRO 49 Cb -0.16 -2.05 0.06 0.00 0.04 0.00 0.00 34.50 32.38 3e7n s PRO 49 CO -0.07 -0.77 1.09 -1.54 0.04 0.00 0.00 177.00 175.75 3e7n s SER 50 N -4.18 4.68 0.00 6.66 1.04 -1.17 -0.36 113.70 120.37 3e7n s SER 50 Ca 0.56 1.38 0.00 0.00 0.48 0.00 0.00 55.95 58.37 3e7n s SER 50 Cb -0.11 -2.14 0.00 0.00 0.10 0.00 0.00 66.02 63.86 3e7n s SER 50 CO 0.54 -1.86 0.00 0.33 0.98 0.00 0.00 173.24 173.23 3e7n n PHE 51 N -3.37 0.00 0.00 5.02 7.35 -1.26 -2.45 117.46 122.75 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 0.24 0.00 -0.03 -4.13 6.02 -1.26 -1.17 117.38 117.05 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 1.43 -0.49 5.09 2.07 -1.84 -2.36 116.25 120.14 3e7n h VAL 54 Ca 0.00 -1.45 0.05 0.00 0.82 0.00 0.00 66.70 66.12 3e7n h VAL 54 Cb 0.00 2.25 -0.05 0.00 -1.52 0.00 0.00 31.29 31.97 3e7n h VAL 54 CO 0.00 0.40 0.22 0.58 0.02 0.00 0.00 177.57 178.79 3e7n h VAL 55 N -0.33 0.90 0.08 2.57 2.07 -1.43 -0.06 116.25 120.05 3e7n h VAL 55 Ca 0.00 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 67.39 3e7n h VAL 55 Cb 0.71 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 3e7n h VAL 55 CO 0.03 0.08 -0.18 -0.78 0.02 0.00 0.00 177.57 176.73 3e7n h ASP 56 N 0.42 -0.51 -0.42 0.57 3.58 -1.81 -1.01 116.42 117.25 3e7n h ASP 56 Ca 0.23 0.06 -0.04 0.00 0.42 0.00 0.00 57.03 57.70 3e7n h ASP 56 Cb 0.18 0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.41 3e7n h ASP 56 CO -0.19 -0.26 0.09 0.58 -2.88 0.00 0.00 179.24 176.59 3e7n h VAL 57 N -0.34 1.23 -0.55 2.25 2.07 -0.88 -2.42 116.25 117.62 3e7n h VAL 57 Ca 0.03 -0.82 0.07 0.00 0.82 0.00 0.00 66.70 66.80 3e7n h VAL 57 Cb 0.37 0.97 -0.06 0.00 -1.52 0.00 0.00 31.29 31.05 3e7n h VAL 57 CO -0.11 0.28 0.24 0.58 0.02 0.00 0.00 177.57 178.58 3e7n h VAL 58 N 0.54 0.88 0.00 2.57 2.07 -0.89 -2.34 116.25 119.07 3e7n h VAL 58 Ca 0.13 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3e7n h VAL 58 Cb 0.33 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 3e7n h VAL 58 CO 0.00 0.08 0.00 0.35 0.02 0.00 0.00 177.57 178.03 3e7n n THR 59 N -4.93 0.47 0.19 2.57 -2.24 -0.40 -2.17 114.28 107.77 3e7n n THR 59 Ca 0.06 0.12 0.04 0.00 -2.27 0.00 0.00 64.05 62.00 3e7n n THR 59 Cb 0.19 -0.75 0.38 0.00 -2.10 0.00 0.00 70.33 68.05 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 -1.34 -0.78 3.08 -0.95 -3.45 114.38 110.94 3e7n h ARG 60 Ca 0.00 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 59.38 3e7n h ARG 60 Cb 0.33 0.00 -0.33 0.00 0.08 0.00 0.00 29.97 30.05 3e7n h ARG 60 CO 0.00 0.36 0.38 0.39 -1.07 0.00 0.00 179.97 180.03 3e7n n GLU 61 N -3.96 2.99 -3.68 0.04 1.02 -0.92 -5.09 120.64 111.04 3e7n n GLU 61 Ca -0.02 -3.71 -0.25 0.00 -0.02 0.00 0.00 57.16 53.17 3e7n n GLU 61 Cb 0.42 -2.28 -0.17 0.00 -0.02 0.00 0.00 31.44 29.39 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 -3.82 0.24 -0.18 3.49 -1.52 -1.26 -5.06 119.66 111.56 3e7n s GLN 63 Ca 0.56 -0.02 -0.05 0.00 -1.95 0.00 0.00 55.36 53.89 3e7n s GLN 63 Cb 0.45 -1.46 -0.03 0.00 -0.22 0.00 0.00 33.01 31.75 3e7n s GLN 63 CO -0.15 -0.53 0.01 0.08 -0.25 0.00 0.00 175.29 174.44 3e7n s VAL 64 N 2.06 4.21 -0.17 1.09 1.01 -1.25 -1.39 120.40 125.96 3e7n s VAL 64 Ca 0.03 -0.24 0.12 0.00 0.00 0.00 0.00 61.98 61.89 3e7n s VAL 64 Cb -0.15 -2.88 -0.17 0.00 0.00 0.00 0.00 36.38 33.18 3e7n s VAL 64 CO -0.07 0.46 0.33 -1.84 0.00 0.00 0.00 175.10 173.98 3e7n n GLU 65 N 3.73 1.15 -3.51 2.72 0.28 0.43 -4.71 120.64 120.74 3e7n n GLU 65 Ca -0.17 -0.08 -0.14 0.00 -0.16 0.00 0.00 57.16 56.61 3e7n n GLU 65 Cb 0.52 -1.22 -0.04 0.00 1.43 0.00 0.00 31.44 32.13 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 -2.63 -1.49 -0.01 -1.84 0.00 -1.19 -2.26 121.76 112.34 3e7n s ALA 66 Ca -0.02 0.65 0.01 0.00 0.00 0.00 0.00 51.96 52.59 3e7n s ALA 66 Cb 0.08 0.53 0.01 0.00 0.00 0.00 0.00 23.12 23.74 3e7n s ALA 66 CO 0.49 -0.59 -0.01 0.00 0.00 0.00 0.00 175.76 175.65 3e7n s ALA 67 N -2.82 0.21 -0.04 0.00 0.00 0.10 -0.64 121.76 118.56 3e7n s ALA 67 Ca -0.03 -0.02 0.06 0.00 0.00 0.00 0.00 51.96 51.96 3e7n s ALA 67 Cb -0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 3e7n s ALA 67 CO -0.05 0.01 -0.20 0.42 0.00 0.00 0.00 175.76 175.94 3e7n s ILE 68 N 0.23 2.54 0.12 0.00 1.01 0.27 -1.67 121.20 123.70 3e7n s ILE 68 Ca -0.02 -0.92 0.03 0.00 0.00 0.00 0.00 60.65 59.75 3e7n s ILE 68 Cb -0.04 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.44 3e7n s ILE 68 CO -0.01 0.58 -0.09 -0.76 0.00 0.00 0.00 174.94 174.67 3e7n s LEU 69 N -0.60 2.49 0.17 2.97 1.43 -0.27 -1.50 118.68 123.37 3e7n s LEU 69 Ca 0.09 -0.96 -0.30 0.00 -1.03 0.00 0.00 54.13 51.93 3e7n s LEU 69 Cb -0.11 -0.23 -0.07 0.00 0.03 0.00 0.00 46.19 45.81 3e7n s LEU 69 CO 0.00 -0.36 1.04 0.00 0.23 0.00 0.00 176.35 177.26 3e7n s ALA 70 N -3.20 3.33 0.39 4.21 0.00 -1.26 -1.37 121.76 123.86 3e7n s ALA 70 Ca 0.12 0.73 0.15 0.00 0.00 0.00 0.00 51.96 52.95 3e7n s ALA 70 Cb 0.02 -3.31 1.00 0.00 0.00 0.00 0.00 23.12 20.82 3e7n s ALA 70 CO -0.02 -0.11 1.85 1.15 0.00 0.00 0.00 175.76 178.63 3e7n h THR 71 N 3.74 0.70 -0.21 0.00 2.02 -0.84 -1.74 112.91 116.58 3e7n h THR 71 Ca -0.44 -0.17 0.06 0.00 0.77 0.00 0.00 66.41 66.63 3e7n h THR 71 Cb 1.21 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 3e7n h THR 71 CO 0.72 0.09 0.23 -0.33 0.37 0.00 0.00 175.52 176.59 3e7n h GLU 72 N 0.50 0.00 -0.11 6.66 3.07 -1.92 -2.20 114.58 120.59 3e7n h GLU 72 Ca 0.48 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.31 3e7n h GLU 72 Cb 1.07 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.97 3e7n h GLU 72 CO -0.21 0.00 -0.07 0.97 -1.40 0.00 0.00 179.01 178.30 3e7n h ILE 73 N 0.00 1.12 -0.12 3.13 2.10 -1.60 -1.76 117.51 120.37 3e7n h ILE 73 Ca 0.10 -0.50 0.01 0.00 1.08 0.00 0.00 64.86 65.55 3e7n h ILE 73 Cb 0.55 1.12 -0.01 0.00 -1.09 0.00 0.00 36.82 37.39 3e7n h ILE 73 CO -0.00 0.15 0.06 0.11 -1.08 0.00 0.00 178.15 177.39 3e7n h LYS 74 N 0.15 0.13 0.16 2.19 1.57 -1.59 -1.21 116.57 117.97 3e7n h LYS 74 Ca 0.03 -0.01 -0.32 0.00 -1.87 0.00 0.00 60.65 58.49 3e7n h LYS 74 Cb 0.23 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.51 3e7n h LYS 74 CO 0.01 0.09 -1.54 1.96 -0.57 0.00 0.00 179.45 179.40 3e7n h GLN 75 N 0.13 0.34 -0.00 3.15 1.08 -1.73 -3.34 115.11 114.73 3e7n h GLN 75 Ca 0.05 -0.58 0.00 0.00 -1.45 0.00 0.00 58.65 56.67 3e7n h GLN 75 Cb 0.01 0.22 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 3e7n h GLN 75 CO -0.03 1.23 -0.85 1.04 -0.95 0.00 0.00 178.83 179.27 3e7n n GLN 76 N -3.54 0.46 -2.83 1.46 6.02 -0.67 -4.50 117.38 113.78 3e7n n GLN 76 Ca -0.17 -0.23 -0.11 0.00 -0.01 0.00 0.00 57.00 56.48 3e7n n GLN 76 Cb 1.06 -1.47 0.05 0.00 1.02 0.00 0.00 30.24 30.91 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 -1.15 -0.61 -0.09 1.08 2.85 -0.46 -4.66 115.26 112.21 3e7n n ASN 77 Ca 0.05 -3.03 -0.00 0.00 -0.11 0.00 0.00 54.58 51.49 3e7n n ASN 77 Cb 0.35 0.53 0.27 0.00 1.24 0.00 0.00 39.78 42.17 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 2.77 0.74 -0.28 1.20 0.13 -1.67 -0.90 132.00 133.99 3e7n h PRO 78 Ca -0.09 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 3e7n h PRO 78 Cb 1.13 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.11 3e7n h PRO 78 CO 0.26 0.62 0.18 1.96 -0.23 0.00 0.00 178.00 180.79 3e7n h GLN 79 N 0.73 0.37 -0.38 0.86 4.20 -1.91 -1.36 115.11 117.62 3e7n h GLN 79 Ca 0.17 -0.03 -0.12 0.00 0.06 0.00 0.00 58.65 58.74 3e7n h GLN 79 Cb 0.16 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 3e7n h GLN 79 CO -0.01 0.26 -0.23 1.25 -0.67 0.00 0.00 178.83 179.43 3e7n h LEU 80 N 0.37 0.86 -0.39 1.46 5.85 -1.83 -2.42 115.31 119.21 3e7n h LEU 80 Ca 0.10 -0.42 0.08 0.00 0.84 0.00 0.00 57.88 58.48 3e7n h LEU 80 Cb -0.02 -0.24 -0.09 0.00 0.37 0.00 0.00 40.66 40.68 3e7n h LEU 80 CO -0.02 1.09 -0.22 -0.74 -0.34 0.00 0.00 178.44 178.21 3e7n h HIS 81 N 0.63 -0.57 -0.28 1.25 2.76 -0.92 -0.80 115.15 117.21 3e7n h HIS 81 Ca 0.08 0.05 -0.17 0.00 -2.20 0.00 0.00 60.37 58.13 3e7n h HIS 81 Cb 0.79 0.31 -0.00 0.00 1.55 0.00 0.00 27.41 30.06 3e7n h HIS 81 CO 0.06 -0.30 -0.49 1.05 -1.30 0.00 0.00 177.93 176.95 3e7n h GLU 82 N -0.16 0.78 -0.96 5.26 -0.00 -1.17 -1.17 114.58 117.16 3e7n h GLU 82 Ca 0.19 -0.46 0.07 0.00 -0.00 0.00 0.00 59.36 59.17 3e7n h GLU 82 Cb 0.45 0.04 -0.07 0.00 -0.00 0.00 0.00 28.75 29.17 3e7n h GLU 82 CO -0.48 1.08 0.62 1.15 -0.00 0.00 0.00 179.01 181.38 3e7n h THR 83 N 0.61 1.05 -0.25 -1.06 2.02 -1.02 0.11 112.91 114.38 3e7n h THR 83 Ca 0.03 -0.37 -0.08 0.00 0.77 0.00 0.00 66.41 66.76 3e7n h THR 83 Cb 1.06 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 3e7n h THR 83 CO 0.10 0.20 -0.15 0.25 0.37 0.00 0.00 175.52 176.29 3e7n h LEU 84 N 1.08 0.56 -0.78 2.58 5.85 -0.83 -1.50 115.31 122.27 3e7n h LEU 84 Ca 0.42 -0.43 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 3e7n h LEU 84 Cb 0.24 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 3e7n h LEU 84 CO -0.17 0.87 0.42 -0.07 -0.34 0.00 0.00 178.44 179.15 3e7n h LEU 85 N 0.26 0.98 -0.44 2.25 3.38 -0.20 0.41 115.31 121.95 3e7n h LEU 85 Ca 0.05 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3e7n h LEU 85 Cb 0.68 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3e7n h LEU 85 CO 0.04 0.81 0.29 0.74 0.09 0.00 0.00 178.44 180.41 3e7n h THR 86 N 1.09 1.12 -0.46 0.22 2.02 -0.76 -0.25 112.91 115.88 3e7n h THR 86 Ca 0.27 -0.21 -0.02 0.00 0.77 0.00 0.00 66.41 67.22 3e7n h THR 86 Cb 0.05 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 3e7n h THR 86 CO -0.04 0.11 0.21 -0.74 0.37 0.00 0.00 175.52 175.43 3e7n h HIS 87 N 0.60 0.68 -0.12 3.16 -0.00 -0.62 -1.51 115.15 117.35 3e7n h HIS 87 Ca 0.16 -0.04 -0.04 0.00 -0.00 0.00 0.00 60.37 60.45 3e7n h HIS 87 Cb -0.07 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 27.13 3e7n h HIS 87 CO -0.04 0.56 -0.12 -0.07 -0.00 0.00 0.00 177.93 178.25 3e7n h LEU 88 N 0.60 0.17 -0.47 0.26 3.38 -0.70 0.19 115.31 118.74 3e7n h LEU 88 Ca 0.16 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 3e7n h LEU 88 Cb 0.15 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3e7n h LEU 88 CO -0.02 0.32 0.14 -0.08 0.09 0.00 0.00 178.44 178.89 3e7n h GLU 89 N 0.18 0.73 -0.16 1.13 4.81 -0.43 -1.44 114.58 119.40 3e7n h GLU 89 Ca 0.04 -0.16 -0.17 0.00 -0.13 0.00 0.00 59.36 58.93 3e7n h GLU 89 Cb 0.33 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.61 3e7n h GLU 89 CO 0.02 0.70 -0.62 1.96 -0.73 0.00 0.00 179.01 180.35 3e7n h GLN 90 N 0.62 0.55 -0.33 1.92 4.20 -0.68 -2.82 115.11 118.57 3e7n h GLN 90 Ca 0.15 -0.38 -0.01 0.00 0.06 0.00 0.00 58.65 58.47 3e7n h GLN 90 Cb 0.28 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 3e7n h GLN 90 CO -0.00 1.00 0.16 1.25 -0.67 0.00 0.00 178.83 180.56 3e7n h LEU 91 N 0.41 0.43 -1.08 1.46 5.85 -0.84 -0.89 115.31 120.65 3e7n h LEU 91 Ca -0.01 -0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.53 3e7n h LEU 91 Cb 1.18 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 3e7n h LEU 91 CO 0.11 0.44 0.04 0.06 -0.34 0.00 0.00 178.44 178.76 3e7n h GLN 92 N 0.40 0.70 0.22 1.25 3.07 -1.25 0.12 115.11 119.62 3e7n h GLN 92 Ca 0.11 -0.16 -0.01 0.00 0.09 0.00 0.00 58.65 58.69 3e7n h GLN 92 Cb 0.12 -0.10 0.00 0.00 0.08 0.00 0.00 27.48 27.59 3e7n h GLN 92 CO -0.01 0.68 -0.11 1.96 0.09 0.00 0.00 178.83 181.44 3e7n h GLN 93 N 0.66 -0.29 -0.97 0.06 4.20 -1.22 0.20 115.11 117.76 3e7n h GLN 93 Ca 0.14 0.02 0.16 0.00 0.06 0.00 0.00 58.65 59.03 3e7n h GLN 93 Cb 0.35 0.07 -0.10 0.00 0.30 0.00 0.00 27.48 28.09 3e7n h GLN 93 CO 0.01 -0.08 0.58 1.25 -0.67 0.00 0.00 178.83 179.91 3e7n h HIS 94 N -0.45 1.02 0.00 2.96 2.76 -0.85 -2.45 115.15 118.14 3e7n h HIS 94 Ca -0.03 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.13 3e7n h HIS 94 Cb 0.34 -0.31 -0.01 0.00 1.55 0.00 0.00 27.41 28.99 3e7n h HIS 94 CO -0.02 0.28 -0.20 1.96 -1.30 0.00 0.00 177.93 178.65 3e7n h GLN 95 N 0.80 0.00 -0.26 5.26 4.20 -0.51 -3.48 115.11 121.12 3e7n h GLN 95 Ca 0.53 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 59.19 3e7n h GLN 95 Cb 0.73 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.50 3e7n h GLN 95 CO -0.35 0.20 -0.05 0.41 -0.67 0.00 0.00 178.83 178.37 3e7n n GLY 96 N 1.11 0.38 0.00 3.46 0.00 0.61 -4.97 105.19 105.78 3e7n n GLY 96 Ca 0.03 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 1.58 0.58 -3.83 1.61 6.94 -0.68 -5.00 115.26 116.46 3e7n n ASN 97 Ca -0.03 -0.87 -0.28 0.00 -0.02 0.00 0.00 54.58 53.39 3e7n n ASN 97 Cb 0.36 0.00 -0.16 0.00 -2.36 0.00 0.00 39.78 37.62 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 -1.54 0.90 -0.36 5.53 -1.32 -1.26 -4.40 115.64 113.18 3e7n s THR 98 Ca 0.00 -0.64 -0.26 0.00 -1.21 0.00 0.00 61.69 59.58 3e7n s THR 98 Cb 0.00 -1.21 0.01 0.00 -1.51 0.00 0.00 72.50 69.79 3e7n s THR 98 CO 0.00 -0.03 0.92 -0.63 -2.21 0.00 0.00 174.62 172.67 3e7n s ILE 99 N 1.71 4.60 0.02 5.08 1.01 -1.26 -4.88 121.20 127.48 3e7n s ILE 99 Ca -0.01 1.21 -0.30 0.00 0.00 0.00 0.00 60.65 61.55 3e7n s ILE 99 Cb -0.16 -4.32 -0.04 0.00 0.01 0.00 0.00 42.46 37.94 3e7n s ILE 99 CO -0.07 -0.51 1.14 -0.75 0.00 0.00 0.00 174.94 174.74 3e7n s LYS 100 N 3.43 4.45 -0.14 2.79 2.20 -0.96 -4.88 119.74 126.63 3e7n s LYS 100 Ca 0.38 1.65 -0.01 0.00 -0.36 0.00 0.00 55.97 57.62 3e7n s LYS 100 Cb -0.12 -3.42 -0.02 0.00 -1.51 0.00 0.00 37.83 32.75 3e7n s LYS 100 CO 0.18 -0.24 -0.10 0.42 -0.36 0.00 0.00 175.35 175.25 3e7n s ILE 101 N 1.31 3.34 0.14 5.43 1.09 -1.26 0.01 121.20 131.27 3e7n s ILE 101 Ca 0.56 -0.56 0.00 0.00 -1.10 0.00 0.00 60.65 59.56 3e7n s ILE 101 Cb -0.26 -2.43 -0.04 0.00 -1.06 0.00 0.00 42.46 38.67 3e7n s ILE 101 CO 0.27 0.51 0.02 -0.94 -0.10 0.00 0.00 174.94 174.70 3e7n s SER 102 N 0.38 0.72 -0.02 3.58 1.04 -0.67 -4.99 113.70 113.73 3e7n s SER 102 Ca -0.08 -1.16 0.04 0.00 0.48 0.00 0.00 55.95 55.22 3e7n s SER 102 Cb -0.15 0.21 -0.01 0.00 0.10 0.00 0.00 66.02 66.17 3e7n s SER 102 CO 0.05 -0.64 -0.13 -0.31 0.98 0.00 0.00 173.24 173.18 3e7n s TYR 103 N -3.86 1.25 0.30 5.02 2.02 -1.26 -1.11 117.35 119.71 3e7n s TYR 103 Ca 0.22 -0.27 0.03 0.00 -0.37 0.00 0.00 57.07 56.67 3e7n s TYR 103 Cb 0.07 -0.83 -0.04 0.00 -0.40 0.00 0.00 41.96 40.76 3e7n s TYR 103 CO 0.01 -0.06 0.13 0.95 -1.57 0.00 0.00 175.55 175.01 3e7n s THR 104 N -0.17 0.46 0.64 -0.71 -4.23 -0.47 -4.87 115.64 106.28 3e7n s THR 104 Ca 0.02 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.37 3e7n s THR 104 Cb -0.07 -2.56 -0.01 0.00 1.34 0.00 0.00 72.50 71.21 3e7n s THR 104 CO 0.00 0.00 1.16 0.42 -0.54 0.00 0.00 174.62 175.66 3e7n s THR 105 N -3.62 2.82 0.33 3.99 -4.23 -1.26 -0.13 115.64 113.54 3e7n s THR 105 Ca 0.36 0.44 0.01 0.00 -1.18 0.00 0.00 61.69 61.32 3e7n s THR 105 Cb 0.06 -3.04 0.27 0.00 1.34 0.00 0.00 72.50 71.12 3e7n s THR 105 CO 0.16 -0.18 1.99 -0.74 -0.54 0.00 0.00 174.62 175.31 3e7n h HIS 106 N 0.35 0.89 -0.66 3.99 2.76 -1.93 0.20 115.15 120.75 3e7n h HIS 106 Ca -0.48 0.02 0.06 0.00 -2.20 0.00 0.00 60.37 57.77 3e7n h HIS 106 Cb 1.28 -0.30 -0.05 0.00 1.55 0.00 0.00 27.41 29.88 3e7n h HIS 106 CO 0.50 0.55 0.36 0.93 -1.30 0.00 0.00 177.93 178.97 3e7n h GLU 107 N 0.95 0.65 -0.10 5.26 4.39 -2.00 -0.89 114.58 122.84 3e7n h GLU 107 Ca 0.27 -0.04 -0.19 0.00 0.34 0.00 0.00 59.36 59.74 3e7n h GLU 107 Cb -0.06 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.44 3e7n h GLU 107 CO -0.07 0.43 -0.73 0.37 -1.16 0.00 0.00 179.01 177.86 3e7n h GLN 108 N 0.67 0.49 -0.18 2.33 5.75 -1.58 -2.83 115.11 119.77 3e7n h GLN 108 Ca 0.30 -0.40 0.05 0.00 -0.15 0.00 0.00 58.65 58.45 3e7n h GLN 108 Cb 0.19 0.08 -0.06 0.00 1.07 0.00 0.00 27.48 28.76 3e7n h GLN 108 CO -0.18 1.03 -0.19 0.35 -2.65 0.00 0.00 178.83 177.18 3e7n h PHE 109 N 0.34 -0.50 -0.97 3.99 3.57 -0.16 -1.47 116.94 121.74 3e7n h PHE 109 Ca -0.03 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.57 3e7n h PHE 109 Cb 1.32 0.25 -0.07 0.00 2.79 0.00 0.00 35.95 40.24 3e7n h PHE 109 CO 0.05 -0.27 0.62 0.87 -2.23 0.00 0.00 178.31 177.35 3e7n h LYS 110 N -0.22 1.06 -0.52 1.11 1.57 -1.09 -0.96 116.57 117.52 3e7n h LYS 110 Ca 0.11 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3e7n h LYS 110 Cb 0.39 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 3e7n h LYS 110 CO -0.31 0.70 0.29 0.87 -0.57 0.00 0.00 179.45 180.43 3e7n h LYS 111 N 1.09 0.73 -0.29 3.15 1.57 -1.21 -2.61 116.57 119.00 3e7n h LYS 111 Ca 0.43 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 59.10 3e7n h LYS 111 Cb 0.23 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 3e7n h LYS 111 CO -0.19 0.57 0.05 -0.07 -0.57 0.00 0.00 179.45 179.23 3e7n h LEU 112 N 0.70 0.38 -2.23 2.94 3.38 -0.16 -1.75 115.31 118.57 3e7n h LEU 112 Ca 0.18 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.13 3e7n h LEU 112 Cb 0.05 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 3e7n h LEU 112 CO -0.03 0.41 0.07 0.71 0.09 0.00 0.00 178.44 179.69 3e7n h THR 113 N 0.41 0.69 0.00 0.22 1.35 -0.83 -1.19 112.91 113.56 3e7n h THR 113 Ca 0.10 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.95 3e7n h THR 113 Cb 0.20 0.95 -0.00 0.00 -1.73 0.00 0.00 68.15 67.57 3e7n h THR 113 CO -0.00 0.00 -0.02 0.00 -0.25 0.00 0.00 175.52 175.25 3e7n h ALA 114 N 1.93 1.21 -0.02 6.62 0.00 -1.31 -2.42 119.26 125.27 3e7n h ALA 114 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3e7n h ALA 114 Cb 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3e7n h ALA 114 CO -0.00 0.02 -0.19 -0.25 0.00 0.00 0.00 179.25 178.83 3e7n n ASP 115 N -3.41 2.26 -4.84 0.00 8.00 -0.45 -4.57 116.55 113.54 3e7n n ASP 115 Ca -0.03 -1.65 -0.30 0.00 0.71 0.00 0.00 54.79 53.52 3e7n n ASP 115 Cb 0.11 0.18 0.06 0.00 -0.02 0.00 0.00 41.12 41.45 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 -2.22 5.12 0.14 -2.24 1.04 -0.91 -4.75 113.70 109.87 3e7n s SER 116 Ca 0.26 1.29 -0.04 0.00 0.48 0.00 0.00 55.95 57.93 3e7n s SER 116 Cb 0.19 -2.09 -0.06 0.00 0.10 0.00 0.00 66.02 64.16 3e7n s SER 116 CO 0.42 -1.57 1.33 1.56 0.98 0.00 0.00 173.24 175.97 3e7n h GLN 117 N -0.81 0.43 -2.35 4.02 1.08 -1.33 -3.44 115.11 112.71 3e7n h GLN 117 Ca -0.46 -0.43 -0.04 0.00 -1.45 0.00 0.00 58.65 56.28 3e7n h GLN 117 Cb 1.25 0.11 -0.17 0.00 -0.05 0.00 0.00 27.48 28.63 3e7n h GLN 117 CO 0.61 1.08 0.22 0.00 -0.95 0.00 0.00 178.83 179.79 3e7n s ALA 118 N -3.37 -1.72 -0.21 3.87 0.00 -1.26 -3.29 121.76 115.78 3e7n s ALA 118 Ca -0.06 1.03 -0.02 0.00 0.00 0.00 0.00 51.96 52.90 3e7n s ALA 118 Cb 0.09 0.30 0.00 0.00 0.00 0.00 0.00 23.12 23.51 3e7n s ALA 118 CO 0.86 -0.52 -0.08 0.08 0.00 0.00 0.00 175.76 176.10 3e7n s VAL 119 N -2.15 3.01 -0.38 0.00 1.01 -0.26 -1.28 120.40 120.36 3e7n s VAL 119 Ca -0.06 -0.64 -0.16 0.00 0.00 0.00 0.00 61.98 61.13 3e7n s VAL 119 Cb -0.00 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 34.02 3e7n s VAL 119 CO 0.01 0.44 0.38 -0.63 0.00 0.00 0.00 175.10 175.30 3e7n s ILE 120 N 1.42 5.15 -0.19 2.22 1.01 0.16 -1.40 121.20 129.58 3e7n s ILE 120 Ca 0.05 -0.17 -0.20 0.00 0.00 0.00 0.00 60.65 60.34 3e7n s ILE 120 Cb -0.14 -3.90 -0.03 0.00 0.01 0.00 0.00 42.46 38.40 3e7n s ILE 120 CO -0.06 -0.22 0.59 -0.60 0.00 0.00 0.00 174.94 174.65 3e7n s ARG 121 N 2.01 4.22 0.59 2.79 3.52 -0.08 -1.29 118.95 130.72 3e7n s ARG 121 Ca 0.11 0.55 0.04 0.00 -0.13 0.00 0.00 55.73 56.30 3e7n s ARG 121 Cb -0.17 -3.56 0.07 0.00 -1.56 0.00 0.00 34.95 29.73 3e7n s ARG 121 CO 0.12 -0.18 0.82 -1.54 -0.81 0.00 0.00 175.30 173.70 3e7n s SER 122 N 1.15 4.99 0.00 -2.12 1.04 -0.41 -2.03 113.70 116.33 3e7n s SER 122 Ca 0.27 -0.41 0.14 0.00 0.48 0.00 0.00 55.95 56.44 3e7n s SER 122 Cb -0.16 -0.26 0.52 0.00 0.10 0.00 0.00 66.02 66.22 3e7n s SER 122 CO 0.10 -1.36 1.38 0.61 0.98 0.00 0.00 173.24 174.95 3e7n n GLY 123 N -2.40 0.26 3.75 7.32 0.00 0.51 -3.21 105.19 111.42 3e7n n GLY 123 Ca 0.12 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.70 4.11 -0.00 1.61 2.56 -1.24 -0.13 118.70 123.91 3e7n s GLU 124 Ca 0.25 2.60 0.13 0.00 0.00 0.00 0.00 54.97 57.96 3e7n s GLU 124 Cb 0.13 -3.02 -0.15 0.00 2.00 0.00 0.00 34.13 33.09 3e7n s GLU 124 CO 0.19 -0.66 0.51 0.00 -0.56 0.00 0.00 175.26 174.74 3e7n s SER 126 N -2.39 3.81 0.28 0.00 1.04 -1.26 -4.98 113.70 110.21 3e7n s SER 126 Ca 0.04 1.60 -0.29 0.00 0.48 0.00 0.00 55.95 57.77 3e7n s SER 126 Cb 0.10 -2.29 -0.09 0.00 0.10 0.00 0.00 66.02 63.84 3e7n s SER 126 CO 0.53 -2.44 1.07 -2.84 0.98 0.00 0.00 173.24 170.54 3e7n s PRO 127 N -4.92 4.65 -1.54 4.02 0.02 -1.26 -4.01 135.00 131.96 3e7n s PRO 127 Ca 0.63 1.74 -0.01 0.00 0.02 0.00 0.00 61.00 63.38 3e7n s PRO 127 Cb -0.18 -3.17 0.01 0.00 0.02 0.00 0.00 34.50 31.18 3e7n s PRO 127 CO 0.57 0.24 0.14 0.66 -0.33 0.00 0.00 177.00 178.27 3e7n n TYR 128 N 1.16 -1.33 -2.08 6.54 4.01 -1.26 -4.56 117.16 119.63 3e7n n TYR 128 Ca -0.01 0.12 -0.42 0.00 -0.16 0.00 0.00 57.90 57.43 3e7n n TYR 128 Cb 0.45 -3.71 0.00 0.00 -0.31 0.00 0.00 39.34 35.77 3e7n n TYR 128 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3e7n n ALA 129 N -2.44 5.37 -3.27 -0.72 0.00 -1.26 -4.75 120.51 113.45 3e7n n ALA 129 Ca -0.18 -4.11 -0.13 0.00 0.00 0.00 0.00 53.44 49.01 3e7n n ALA 129 Cb 0.65 -3.25 -0.15 0.00 0.00 0.00 0.00 19.45 16.70 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 2.02 0.03 -0.00 0.00 0.01 -1.26 -1.82 114.94 113.92 3e7n s ASN 130 Ca 0.43 0.02 -0.00 0.00 -0.71 0.00 0.00 52.86 52.60 3e7n s ASN 130 Cb 0.11 -0.03 -0.00 0.00 0.41 0.00 0.00 41.25 41.74 3e7n s ASN 130 CO -0.04 -0.06 0.01 0.54 -1.51 0.00 0.00 177.10 176.05 3e7n s VAL 131 N 0.48 0.01 -0.26 1.60 0.11 -0.19 -4.52 120.40 117.64 3e7n s VAL 131 Ca -0.04 -0.09 -0.11 0.00 -2.93 0.00 0.00 61.98 58.81 3e7n s VAL 131 Cb -0.06 -0.05 -0.05 0.00 -1.53 0.00 0.00 36.38 34.69 3e7n s VAL 131 CO -0.01 -0.05 0.20 -0.63 -3.33 0.00 0.00 175.10 171.28 3e7n s ILE 132 N -0.13 5.31 -0.17 7.04 1.01 -0.56 -1.44 121.20 132.26 3e7n s ILE 132 Ca -0.02 0.22 -0.09 0.00 0.00 0.00 0.00 60.65 60.76 3e7n s ILE 132 Cb -0.01 -3.54 -0.05 0.00 0.01 0.00 0.00 42.46 38.87 3e7n s ILE 132 CO -0.00 0.27 0.15 -0.76 0.00 0.00 0.00 174.94 174.61 3e7n s LEU 133 N 1.54 4.28 -0.18 2.97 1.43 0.47 -0.57 118.68 128.62 3e7n s LEU 133 Ca 0.08 0.35 -0.06 0.00 -1.03 0.00 0.00 54.13 53.47 3e7n s LEU 133 Cb -0.15 -2.12 -0.03 0.00 0.03 0.00 0.00 46.19 43.92 3e7n s LEU 133 CO 0.09 0.25 0.02 0.00 0.23 0.00 0.00 176.35 176.93 3e7n s ALA 135 N 0.48 3.34 -0.25 0.00 0.00 -0.44 -0.43 121.76 124.46 3e7n s ALA 135 Ca 0.00 0.77 -0.30 0.00 0.00 0.00 0.00 51.96 52.43 3e7n s ALA 135 Cb -0.13 -3.38 0.17 0.00 0.00 0.00 0.00 23.12 19.78 3e7n s ALA 135 CO 0.02 -0.28 1.27 0.20 0.00 0.00 0.00 175.76 176.96 3e7n s GLY 136 N 0.50 -0.03 0.14 0.00 0.00 -0.49 -0.64 107.32 106.79 3e7n s GLY 136 Ca 0.53 2.52 0.06 0.00 0.00 0.00 0.00 44.72 47.83 3e7n s GLY 136 CO 0.31 1.03 -0.14 -1.34 0.00 0.00 0.00 173.10 172.96 3e7n s VAL 137 N -1.19 1.41 -2.00 1.40 -7.23 -1.26 -3.66 120.40 107.87 3e7n s VAL 137 Ca 0.07 -1.83 0.05 0.00 -1.81 0.00 0.00 61.98 58.45 3e7n s VAL 137 Cb -0.01 -1.66 0.14 0.00 0.56 0.00 0.00 36.38 35.41 3e7n s VAL 137 CO -0.05 -0.46 0.76 1.07 -0.31 0.00 0.00 175.10 176.10