#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 -2.16 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 3.41 0.00 1.64 1.02 -1.26 -4.83 119.74 119.72 3e7n s LYS 3 Ca 0.00 1.78 0.00 0.00 0.02 0.00 0.00 55.97 57.77 3e7n s LYS 3 Cb 0.00 -2.17 0.00 0.00 -0.52 0.00 0.00 37.83 35.14 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 0.39 -1.55 0.00 -3.33 0.00 -1.26 -4.82 105.19 94.62 3e7n n GLY 4 Ca 0.10 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 44.05 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 -3.01 2.61 -2.24 -1.26 -4.87 114.28 105.51 3e7n n THR 5 Ca 0.00 -0.48 -0.44 0.00 -2.27 0.00 0.00 64.05 60.86 3e7n n THR 5 Cb 0.00 1.01 -0.03 0.00 -2.10 0.00 0.00 70.33 69.21 3e7n n THR 5 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3e7n s VAL 6 N -0.70 4.82 -0.12 2.28 1.01 -1.26 -4.88 120.40 121.56 3e7n s VAL 6 Ca 0.00 -1.43 0.17 0.00 0.00 0.00 0.00 61.98 60.72 3e7n s VAL 6 Cb 0.00 -4.66 -0.18 0.00 0.00 0.00 0.00 36.38 31.53 3e7n s VAL 6 CO 0.00 -1.36 0.65 0.18 0.00 0.00 0.00 175.10 174.58 3e7n n LEU 7 N 6.28 0.65 -4.73 3.92 4.77 -1.26 -4.85 117.00 121.78 3e7n n LEU 7 Ca 0.12 0.29 -0.41 0.00 -0.03 0.00 0.00 56.01 55.98 3e7n n LEU 7 Cb 0.47 0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.68 3e7n n LEU 7 CO 0.51 0.22 1.04 0.21 -1.33 0.00 0.00 177.39 178.05 3e7n s ASN 8 N -5.67 6.80 0.14 -1.43 3.84 -1.26 -4.92 114.94 112.44 3e7n s ASN 8 Ca -0.05 2.47 -0.11 0.00 0.21 0.00 0.00 52.86 55.38 3e7n s ASN 8 Cb 0.09 -2.61 -0.03 0.00 -0.55 0.00 0.00 41.25 38.15 3e7n s ASN 8 CO 0.82 -0.61 1.50 0.77 -2.79 0.00 0.00 177.10 176.80 3e7n h SER 9 N 5.60 0.96 -0.27 -4.21 4.64 -1.99 -0.97 113.55 117.31 3e7n h SER 9 Ca -0.44 -0.42 -0.14 0.00 -0.47 0.00 0.00 61.79 60.31 3e7n h SER 9 Cb 1.21 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 63.04 3e7n h SER 9 CO 0.80 1.18 -0.38 -0.33 -0.87 0.00 0.00 176.83 177.23 3e7n h GLU 10 N 0.74 0.74 -0.47 4.77 4.39 -1.99 -1.49 114.58 121.28 3e7n h GLU 10 Ca 0.09 -0.43 -0.02 0.00 0.34 0.00 0.00 59.36 59.34 3e7n h GLU 10 Cb 0.84 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.51 3e7n h GLU 10 CO 0.07 1.05 0.23 0.82 -1.16 0.00 0.00 179.01 180.03 3e7n h ILE 11 N 0.48 1.18 -0.66 3.13 2.04 -1.95 -0.97 117.51 120.76 3e7n h ILE 11 Ca 0.03 -0.51 0.02 0.00 1.00 0.00 0.00 64.86 65.39 3e7n h ILE 11 Cb 0.96 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 37.67 3e7n h ILE 11 CO 0.09 0.20 0.43 0.28 0.00 0.00 0.00 178.15 179.15 3e7n h SER 12 N 0.62 0.72 -0.11 1.72 0.02 -1.10 -1.74 113.55 113.68 3e7n h SER 12 Ca 0.16 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 3e7n h SER 12 Cb 0.11 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.47 3e7n h SER 12 CO -0.02 0.52 0.04 -1.28 -1.14 0.00 0.00 176.83 174.95 3e7n h SER 13 N 0.86 0.15 -0.55 3.07 0.87 -0.95 -2.40 113.55 114.61 3e7n h SER 13 Ca 0.25 -0.17 -0.06 0.00 -1.23 0.00 0.00 61.79 60.58 3e7n h SER 13 Cb -0.06 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 61.84 3e7n h SER 13 CO -0.07 0.27 0.10 0.58 -0.53 0.00 0.00 176.83 177.18 3e7n h VAL 14 N 0.01 1.25 -0.89 2.23 2.07 -1.02 -2.82 116.25 117.09 3e7n h VAL 14 Ca 0.04 -0.94 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 3e7n h VAL 14 Cb 0.17 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 3e7n h VAL 14 CO -0.00 0.34 0.51 0.40 0.02 0.00 0.00 177.57 178.84 3e7n h ILE 15 N 0.79 1.25 0.00 4.57 2.04 -1.29 -1.26 117.51 123.62 3e7n h ILE 15 Ca 0.17 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.43 3e7n h ILE 15 Cb 0.39 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 3e7n h ILE 15 CO 0.01 0.28 0.00 -1.54 0.00 0.00 0.00 178.15 176.90 3e7n n SER 16 N -4.34 0.19 -0.29 1.72 3.41 -0.91 -1.94 113.62 111.47 3e7n n SER 16 Ca 0.10 0.54 0.10 0.00 -0.26 0.00 0.00 58.87 59.34 3e7n n SER 16 Cb 0.08 -0.58 -0.04 0.00 -0.26 0.00 0.00 64.21 63.40 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 -1.71 1.10 -2.29 4.33 1.74 -0.51 -4.99 116.66 114.33 3e7n n ARG 17 Ca 0.04 -0.59 -0.40 0.00 -0.77 0.00 0.00 57.85 56.13 3e7n n ARG 17 Cb 0.22 -1.41 -0.03 0.00 -1.02 0.00 0.00 32.46 30.22 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 -2.55 4.44 0.46 0.55 1.43 -0.82 -5.06 118.68 117.13 3e7n s LEU 18 Ca 0.13 2.46 0.05 0.00 -1.03 0.00 0.00 54.13 55.74 3e7n s LEU 18 Cb 0.16 -3.71 -0.04 0.00 0.03 0.00 0.00 46.19 42.63 3e7n s LEU 18 CO 0.62 -0.40 0.08 -0.83 0.23 0.00 0.00 176.35 176.05 3e7n s GLY 19 N -0.76 2.63 0.11 -3.19 0.00 -1.26 -5.05 107.32 99.81 3e7n s GLY 19 Ca 0.49 -1.52 -0.35 0.00 0.00 0.00 0.00 44.72 43.34 3e7n s GLY 19 CO 0.46 -2.08 1.53 1.57 0.00 0.00 0.00 173.10 174.58 3e7n n HIS 20 N -1.20 2.05 -0.30 1.90 -0.00 -1.26 -1.15 115.22 115.25 3e7n n HIS 20 Ca -0.09 0.37 0.00 0.00 0.46 0.00 0.00 57.72 58.46 3e7n n HIS 20 Cb 0.66 -2.49 0.00 0.00 -0.12 0.00 0.00 29.99 28.04 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 3.29 0.00 -1.78 3.57 -2.24 -0.23 -4.99 114.28 111.91 3e7n n THR 21 Ca 0.18 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.59 3e7n n THR 21 Cb 0.26 -0.03 0.06 0.00 -2.10 0.00 0.00 70.33 68.52 3e7n n THR 21 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3e7n s ASP 22 N -3.38 4.76 0.22 3.42 1.01 -0.30 -4.68 116.67 117.73 3e7n s ASP 22 Ca 0.00 2.62 0.12 0.00 0.71 0.00 0.00 52.55 56.00 3e7n s ASP 22 Cb 0.00 -2.62 -0.05 0.00 1.01 0.00 0.00 42.92 41.26 3e7n s ASP 22 CO 0.00 -1.90 -0.22 0.42 0.21 0.00 0.00 175.17 173.68 3e7n s THR 23 N -1.40 2.38 -0.03 -1.27 -4.23 -1.26 -1.19 115.64 108.64 3e7n s THR 23 Ca 0.81 -2.17 0.01 0.00 -1.18 0.00 0.00 61.69 59.15 3e7n s THR 23 Cb -0.37 -2.18 0.02 0.00 1.34 0.00 0.00 72.50 71.31 3e7n s THR 23 CO 0.40 -0.23 -0.02 -0.22 -0.54 0.00 0.00 174.62 174.01 3e7n s LEU 24 N -2.99 1.35 -0.13 4.79 2.96 -0.22 -1.00 118.68 123.45 3e7n s LEU 24 Ca 0.24 -0.07 -0.05 0.00 -0.22 0.00 0.00 54.13 54.03 3e7n s LEU 24 Cb -0.07 -0.31 -0.04 0.00 0.50 0.00 0.00 46.19 46.27 3e7n s LEU 24 CO 0.12 -0.06 0.05 -0.69 -1.32 0.00 0.00 176.35 174.45 3e7n s VAL 25 N 0.82 4.74 -0.18 1.68 1.01 -0.22 -0.93 120.40 127.32 3e7n s VAL 25 Ca -0.09 -0.07 -0.03 0.00 0.00 0.00 0.00 61.98 61.79 3e7n s VAL 25 Cb -0.12 -3.06 -0.02 0.00 0.00 0.00 0.00 36.38 33.18 3e7n s VAL 25 CO -0.01 0.56 -0.06 -0.69 0.00 0.00 0.00 175.10 174.90 3e7n s VAL 26 N -0.49 3.44 0.33 2.92 1.01 -0.55 0.57 120.40 127.63 3e7n s VAL 26 Ca 0.10 -0.49 0.04 0.00 0.00 0.00 0.00 61.98 61.62 3e7n s VAL 26 Cb -0.12 -2.52 -0.06 0.00 0.00 0.00 0.00 36.38 33.68 3e7n s VAL 26 CO 0.02 0.47 0.06 0.00 0.00 0.00 0.00 175.10 175.65 3e7n s ASP 28 N -3.49 4.17 0.28 0.00 1.47 -0.82 -1.15 116.67 117.13 3e7n s ASP 28 Ca 0.36 -0.19 0.23 0.00 1.18 0.00 0.00 52.55 54.13 3e7n s ASP 28 Cb 0.08 -0.16 1.03 0.00 -0.34 0.00 0.00 42.92 43.54 3e7n s ASP 28 CO 0.15 -1.99 1.70 0.00 0.68 0.00 0.00 175.17 175.72 3e7n n ALA 29 N -3.00 1.51 0.67 2.11 0.00 0.16 -2.92 120.51 119.04 3e7n n ALA 29 Ca 0.14 0.12 0.07 0.00 0.00 0.00 0.00 53.44 53.77 3e7n n ALA 29 Cb 0.60 -1.37 -0.01 0.00 0.00 0.00 0.00 19.45 18.67 3e7n n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3e7n n GLY 30 N -0.32 -0.08 3.72 0.00 0.00 -1.26 -5.01 105.19 102.24 3e7n n GLY 30 Ca 0.01 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.01 4.39 0.41 0.99 2.96 -1.15 -4.99 118.68 119.28 3e7n s LEU 31 Ca 0.12 2.24 -0.25 0.00 -0.22 0.00 0.00 54.13 56.03 3e7n s LEU 31 Cb 0.12 -3.59 -0.08 0.00 0.50 0.00 0.00 46.19 43.14 3e7n s LEU 31 CO 0.39 -0.53 1.16 -2.16 -1.32 0.00 0.00 176.35 173.89 3e7n s PRO 32 N 0.63 4.02 -0.23 0.98 0.04 -1.26 -4.99 135.00 134.18 3e7n s PRO 32 Ca 0.60 1.80 0.00 0.00 0.04 0.00 0.00 61.00 63.44 3e7n s PRO 32 Cb -0.34 -2.62 0.03 0.00 0.04 0.00 0.00 34.50 31.61 3e7n s PRO 32 CO 0.33 -0.34 -0.12 0.42 0.04 0.00 0.00 177.00 177.33 3e7n s ILE 33 N -1.45 2.44 0.63 0.56 1.01 -1.26 -5.09 121.20 118.03 3e7n s ILE 33 Ca 0.58 -1.17 -0.18 0.00 0.00 0.00 0.00 60.65 59.88 3e7n s ILE 33 Cb -0.30 -2.23 -0.02 0.00 0.01 0.00 0.00 42.46 39.93 3e7n s ILE 33 CO 0.37 0.24 1.22 -2.84 0.00 0.00 0.00 174.94 173.93 3e7n s PRO 34 N 1.25 2.73 0.00 2.79 0.02 -1.26 -4.91 135.00 135.63 3e7n s PRO 34 Ca -0.01 1.84 0.28 0.00 0.02 0.00 0.00 61.00 63.14 3e7n s PRO 34 Cb -0.16 -1.90 1.45 0.00 0.02 0.00 0.00 34.50 33.91 3e7n s PRO 34 CO -0.07 -1.40 1.99 0.27 -0.33 0.00 0.00 177.00 177.46 3e7n n ASN 35 N -1.89 0.00 0.00 2.53 0.23 -1.26 -2.69 115.26 112.18 3e7n n ASN 35 Ca 0.14 -0.17 0.12 0.00 -0.53 0.00 0.00 54.58 54.14 3e7n n ASN 35 Cb 0.50 -0.27 0.72 0.00 -2.08 0.00 0.00 39.78 38.65 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 -1.27 0.00 -4.12 0.53 3.41 -1.26 -4.81 113.62 106.11 3e7n n SER 36 Ca 0.14 -1.00 -0.15 0.00 -0.26 0.00 0.00 58.87 57.59 3e7n n SER 36 Cb 0.22 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.05 3e7n n SER 36 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3e7n s THR 37 N -2.00 0.81 0.32 6.66 -1.32 -1.10 -4.90 115.64 114.11 3e7n s THR 37 Ca 0.36 -1.24 -0.28 0.00 -1.21 0.00 0.00 61.69 59.32 3e7n s THR 37 Cb 0.17 -0.89 -0.09 0.00 -1.51 0.00 0.00 72.50 70.17 3e7n s THR 37 CO 0.28 -0.35 1.13 0.00 -2.21 0.00 0.00 174.62 173.47 3e7n s ALA 38 N -1.49 3.33 -0.29 11.08 0.00 -1.21 -4.86 121.76 128.32 3e7n s ALA 38 Ca -0.05 0.92 -0.07 0.00 0.00 0.00 0.00 51.96 52.76 3e7n s ALA 38 Cb -0.09 -3.35 -0.00 0.00 0.00 0.00 0.00 23.12 19.68 3e7n s ALA 38 CO 0.01 -0.28 0.08 0.50 0.00 0.00 0.00 175.76 176.07 3e7n s ARG 39 N -1.77 3.24 -0.40 0.00 3.52 -1.26 -0.98 118.95 121.30 3e7n s ARG 39 Ca 0.49 -0.76 -0.05 0.00 -0.13 0.00 0.00 55.73 55.28 3e7n s ARG 39 Cb -0.31 -3.37 0.10 0.00 -1.56 0.00 0.00 34.95 29.80 3e7n s ARG 39 CO 0.40 -0.38 0.20 0.42 -0.81 0.00 0.00 175.30 175.13 3e7n s ILE 40 N 1.54 3.56 0.25 4.11 1.01 -0.27 -4.98 121.20 126.42 3e7n s ILE 40 Ca 0.04 -1.78 -0.03 0.00 0.00 0.00 0.00 60.65 58.87 3e7n s ILE 40 Cb -0.17 -3.31 -0.05 0.00 0.01 0.00 0.00 42.46 38.94 3e7n s ILE 40 CO 0.03 -0.58 0.49 -0.62 0.00 0.00 0.00 174.94 174.27 3e7n s ASP 41 N 1.90 6.43 0.20 3.58 -1.08 -1.26 -0.87 116.67 125.57 3e7n s ASP 41 Ca 0.05 0.60 0.00 0.00 -0.52 0.00 0.00 52.55 52.68 3e7n s ASP 41 Cb -0.23 -2.10 0.00 0.00 -1.46 0.00 0.00 42.92 39.14 3e7n s ASP 41 CO -0.02 -0.14 0.00 0.00 0.52 0.00 0.00 175.17 175.54 3e7n n ALA 43 N -0.81 -2.04 -0.10 3.66 0.00 -0.80 -4.95 120.51 115.47 3e7n n ALA 43 Ca -0.03 0.48 -0.17 0.00 0.00 0.00 0.00 53.44 53.73 3e7n n ALA 43 Cb 0.54 -1.46 -0.07 0.00 0.00 0.00 0.00 19.45 18.46 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 1.91 1.88 -3.84 0.00 7.94 -0.38 -4.95 117.00 119.56 3e7n n LEU 44 Ca 0.00 0.45 -0.09 0.00 -1.11 0.00 0.00 56.01 55.26 3e7n n LEU 44 Cb 0.00 -0.87 0.01 0.00 0.53 0.00 0.00 43.42 43.09 3e7n n LEU 44 CO 0.00 0.04 0.48 0.28 -1.11 0.00 0.00 177.39 177.08 3e7n s THR 45 N -2.46 0.00 -0.17 1.96 -1.32 -0.93 -5.04 115.64 107.69 3e7n s THR 45 Ca -0.27 -1.06 -0.38 0.00 -1.21 0.00 0.00 61.69 58.76 3e7n s THR 45 Cb 0.07 -2.72 -0.15 0.00 -1.51 0.00 0.00 72.50 68.19 3e7n s THR 45 CO 0.44 0.00 1.74 0.00 -2.21 0.00 0.00 174.62 174.58 3e7n n GLN 46 N -0.52 1.48 -0.93 7.08 3.00 -1.26 -1.11 117.38 125.12 3e7n n GLN 46 Ca -0.07 0.54 0.00 0.00 -0.01 0.00 0.00 57.00 57.47 3e7n n GLN 46 Cb 0.60 -2.27 0.00 0.00 0.00 0.00 0.00 30.24 28.57 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 4.06 0.69 2.77 1.08 0.00 0.85 -4.99 105.19 109.65 3e7n n GLY 47 Ca 0.24 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.00 3e7n n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3e7n s VAL 48 N -2.95 0.59 0.65 1.61 1.01 -0.27 -2.94 120.40 118.09 3e7n s VAL 48 Ca 0.00 -0.38 -0.11 0.00 0.00 0.00 0.00 61.98 61.49 3e7n s VAL 48 Cb 0.00 -0.93 -0.02 0.00 0.00 0.00 0.00 36.38 35.42 3e7n s VAL 48 CO 0.00 -0.01 1.04 -2.16 0.00 0.00 0.00 175.10 173.97 3e7n s PRO 49 N 1.85 3.38 0.71 2.72 0.04 -1.26 -1.25 135.00 141.19 3e7n s PRO 49 Ca 0.01 0.78 -0.11 0.00 0.04 0.00 0.00 61.00 61.72 3e7n s PRO 49 Cb -0.15 -2.05 0.01 0.00 0.04 0.00 0.00 34.50 32.35 3e7n s PRO 49 CO -0.07 -0.73 1.07 -1.54 0.04 0.00 0.00 177.00 175.76 3e7n s SER 50 N -4.10 5.34 0.00 6.66 1.04 -1.15 -0.40 113.70 121.09 3e7n s SER 50 Ca 0.56 1.43 0.00 0.00 0.48 0.00 0.00 55.95 58.42 3e7n s SER 50 Cb -0.12 -2.29 0.00 0.00 0.10 0.00 0.00 66.02 63.71 3e7n s SER 50 CO 0.54 -1.45 0.00 0.33 0.98 0.00 0.00 173.24 173.65 3e7n n PHE 51 N -3.11 0.00 0.00 5.02 7.35 -1.26 -2.54 117.46 122.92 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 -0.01 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 0.42 0.00 -0.04 -4.13 6.02 -1.26 -1.04 117.38 117.36 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 -0.46 5.09 2.07 -1.85 -1.88 116.25 120.65 3e7n h VAL 54 Ca 0.00 -1.54 0.06 0.00 0.82 0.00 0.00 66.70 66.04 3e7n h VAL 54 Cb 0.00 2.26 -0.05 0.00 -1.52 0.00 0.00 31.29 31.98 3e7n h VAL 54 CO 0.00 0.43 0.16 0.58 0.02 0.00 0.00 177.57 178.76 3e7n h VAL 55 N -0.26 0.84 -0.11 2.57 2.07 -1.36 -0.79 116.25 119.21 3e7n h VAL 55 Ca -0.00 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.42 3e7n h VAL 55 Cb 0.79 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 3e7n h VAL 55 CO 0.04 0.06 0.01 -0.78 0.02 0.00 0.00 177.57 176.92 3e7n h ASP 56 N 0.33 -0.01 -0.30 0.57 3.58 -1.80 -1.25 116.42 117.54 3e7n h ASP 56 Ca 0.22 0.02 -0.05 0.00 0.42 0.00 0.00 57.03 57.64 3e7n h ASP 56 Cb 0.22 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 3e7n h ASP 56 CO -0.23 0.01 -0.00 0.58 -2.88 0.00 0.00 179.24 176.72 3e7n h VAL 57 N 0.06 1.26 -0.61 2.25 2.07 -0.97 -2.71 116.25 117.59 3e7n h VAL 57 Ca 0.05 -0.95 0.07 0.00 0.82 0.00 0.00 66.70 66.68 3e7n h VAL 57 Cb 0.04 1.28 -0.06 0.00 -1.52 0.00 0.00 31.29 31.03 3e7n h VAL 57 CO -0.07 0.31 0.30 0.58 0.02 0.00 0.00 177.57 178.71 3e7n h VAL 58 N 0.33 0.90 0.00 2.57 2.07 -1.04 -2.10 116.25 118.99 3e7n h VAL 58 Ca 0.09 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.41 3e7n h VAL 58 Cb 0.44 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 3e7n h VAL 58 CO 0.02 0.10 0.00 0.35 0.02 0.00 0.00 177.57 178.06 3e7n n THR 59 N -4.87 0.18 0.19 2.57 -2.24 -0.48 -2.34 114.28 107.28 3e7n n THR 59 Ca 0.08 0.04 0.05 0.00 -2.27 0.00 0.00 64.05 61.95 3e7n n THR 59 Cb 0.20 -0.62 0.38 0.00 -2.10 0.00 0.00 70.33 68.19 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 -1.26 -0.78 3.08 -1.06 -3.45 114.38 110.91 3e7n h ARG 60 Ca 0.00 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 59.39 3e7n h ARG 60 Cb 0.24 0.00 -0.33 0.00 0.08 0.00 0.00 29.97 29.96 3e7n h ARG 60 CO 0.00 0.37 0.37 0.39 -1.07 0.00 0.00 179.97 180.03 3e7n n GLU 61 N -3.78 2.99 -3.66 0.04 1.02 -0.99 -5.09 120.64 111.18 3e7n n GLU 61 Ca -0.01 -3.69 -0.23 0.00 -0.02 0.00 0.00 57.16 53.21 3e7n n GLU 61 Cb 0.45 -2.28 -0.18 0.00 -0.02 0.00 0.00 31.44 29.42 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 -3.81 0.06 -0.17 3.49 -1.52 -1.26 -5.05 119.66 111.39 3e7n s GLN 63 Ca 0.57 0.16 -0.05 0.00 -1.95 0.00 0.00 55.36 54.08 3e7n s GLN 63 Cb 0.46 -1.09 -0.03 0.00 -0.22 0.00 0.00 33.01 32.12 3e7n s GLN 63 CO -0.12 -0.46 0.01 0.08 -0.25 0.00 0.00 175.29 174.54 3e7n s VAL 64 N 2.13 4.27 -0.02 1.09 1.01 -1.25 -1.39 120.40 126.24 3e7n s VAL 64 Ca 0.04 -0.22 0.15 0.00 0.00 0.00 0.00 61.98 61.94 3e7n s VAL 64 Cb -0.14 -2.90 -0.23 0.00 0.00 0.00 0.00 36.38 33.12 3e7n s VAL 64 CO -0.06 0.48 0.32 -1.84 0.00 0.00 0.00 175.10 174.00 3e7n n GLU 65 N 3.58 0.45 -3.45 2.72 0.28 0.08 -4.67 120.64 119.63 3e7n n GLU 65 Ca -0.17 -0.13 -0.12 0.00 -0.16 0.00 0.00 57.16 56.58 3e7n n GLU 65 Cb 0.52 -1.35 -0.02 0.00 1.43 0.00 0.00 31.44 32.02 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 -3.01 -1.54 -0.02 -1.84 0.00 -1.20 -2.06 121.76 112.09 3e7n s ALA 66 Ca -0.05 0.42 -0.02 0.00 0.00 0.00 0.00 51.96 52.31 3e7n s ALA 66 Cb 0.09 0.88 0.01 0.00 0.00 0.00 0.00 23.12 24.10 3e7n s ALA 66 CO 0.61 -0.77 0.06 0.00 0.00 0.00 0.00 175.76 175.65 3e7n s ALA 67 N -3.76 -0.12 -0.07 0.00 0.00 0.64 -0.94 121.76 117.52 3e7n s ALA 67 Ca 0.02 0.20 0.05 0.00 0.00 0.00 0.00 51.96 52.22 3e7n s ALA 67 Cb -0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 23.12 22.97 3e7n s ALA 67 CO -0.12 -0.04 -0.23 0.42 0.00 0.00 0.00 175.76 175.79 3e7n s ILE 68 N 0.20 2.24 0.15 0.00 1.01 0.13 -1.60 121.20 123.32 3e7n s ILE 68 Ca -0.01 -0.99 0.05 0.00 0.00 0.00 0.00 60.65 59.69 3e7n s ILE 68 Cb -0.02 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.57 3e7n s ILE 68 CO -0.01 0.57 -0.11 -0.76 0.00 0.00 0.00 174.94 174.63 3e7n s LEU 69 N -0.10 2.52 0.22 2.97 1.43 -0.29 -1.27 118.68 124.16 3e7n s LEU 69 Ca -0.05 -0.99 -0.30 0.00 -1.03 0.00 0.00 54.13 51.77 3e7n s LEU 69 Cb -0.14 -0.43 -0.08 0.00 0.03 0.00 0.00 46.19 45.56 3e7n s LEU 69 CO 0.04 -0.28 1.04 0.00 0.23 0.00 0.00 176.35 177.39 3e7n s ALA 70 N -3.11 3.36 0.42 4.21 0.00 -1.26 -1.61 121.76 123.77 3e7n s ALA 70 Ca 0.17 0.76 0.15 0.00 0.00 0.00 0.00 51.96 53.04 3e7n s ALA 70 Cb 0.01 -3.30 1.02 0.00 0.00 0.00 0.00 23.12 20.85 3e7n s ALA 70 CO 0.02 -0.06 1.92 1.15 0.00 0.00 0.00 175.76 178.80 3e7n h THR 71 N 3.38 0.81 -0.15 0.00 2.02 -1.04 -2.22 112.91 115.72 3e7n h THR 71 Ca -0.45 -0.16 0.04 0.00 0.77 0.00 0.00 66.41 66.62 3e7n h THR 71 Cb 1.21 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 3e7n h THR 71 CO 0.69 0.08 0.17 -0.33 0.37 0.00 0.00 175.52 176.51 3e7n h GLU 72 N 0.45 0.00 -0.09 6.66 3.07 -1.92 -2.16 114.58 120.59 3e7n h GLU 72 Ca 0.37 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 59.18 3e7n h GLU 72 Cb 0.79 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.69 3e7n h GLU 72 CO -0.12 0.00 -0.16 0.97 -1.40 0.00 0.00 179.01 178.30 3e7n h ILE 73 N 0.00 1.17 -0.14 3.13 2.10 -1.69 -1.77 117.51 120.30 3e7n h ILE 73 Ca 0.07 -0.75 0.02 0.00 1.08 0.00 0.00 64.86 65.28 3e7n h ILE 73 Cb 0.42 1.28 -0.02 0.00 -1.09 0.00 0.00 36.82 37.41 3e7n h ILE 73 CO -0.00 0.23 0.00 0.11 -1.08 0.00 0.00 178.15 177.41 3e7n h LYS 74 N 0.13 0.05 0.13 2.19 1.57 -1.59 -1.34 116.57 117.72 3e7n h LYS 74 Ca 0.03 -0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.48 3e7n h LYS 74 Cb 0.37 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 3e7n h LYS 74 CO 0.02 0.04 -1.64 0.37 -0.57 0.00 0.00 179.45 177.67 3e7n h GLN 75 N 0.05 0.28 -0.01 3.15 5.75 -1.73 -3.33 115.11 119.27 3e7n h GLN 75 Ca 0.07 -0.47 0.00 0.00 -0.15 0.00 0.00 58.65 58.10 3e7n h GLN 75 Cb 0.08 0.18 0.00 0.00 1.07 0.00 0.00 27.48 28.80 3e7n h GLN 75 CO -0.11 1.14 -0.80 1.04 -2.65 0.00 0.00 178.83 177.45 3e7n n GLN 76 N -3.47 0.47 -2.87 1.69 6.02 -0.67 -4.48 117.38 114.07 3e7n n GLN 76 Ca -0.20 -0.38 -0.12 0.00 -0.01 0.00 0.00 57.00 56.30 3e7n n GLN 76 Cb 1.05 -1.49 0.05 0.00 1.02 0.00 0.00 30.24 30.88 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 -0.94 -1.10 -0.31 1.08 4.05 -0.51 -4.66 115.26 112.88 3e7n n ASN 77 Ca 0.06 -3.31 -0.04 0.00 0.45 0.00 0.00 54.58 51.74 3e7n n ASN 77 Cb 0.38 0.91 0.10 0.00 1.23 0.00 0.00 39.78 42.40 3e7n n ASN 77 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 3e7n h PRO 78 N 2.90 1.22 -0.59 1.20 0.13 -1.66 -0.63 132.00 134.57 3e7n h PRO 78 Ca -0.05 -0.15 -0.02 0.00 -0.87 0.00 0.00 66.00 64.91 3e7n h PRO 78 Cb 1.08 -0.23 -0.03 0.00 0.13 0.00 0.00 31.00 31.95 3e7n h PRO 78 CO 0.25 0.90 0.31 1.96 -0.23 0.00 0.00 178.00 181.19 3e7n h GLN 79 N 1.22 0.83 -0.27 0.86 7.50 -1.91 -0.29 115.11 123.04 3e7n h GLN 79 Ca 0.30 -0.11 -0.17 0.00 0.50 0.00 0.00 58.65 59.18 3e7n h GLN 79 Cb 0.06 -0.16 -0.00 0.00 0.05 0.00 0.00 27.48 27.42 3e7n h GLN 79 CO -0.05 0.65 -0.50 1.25 -1.50 0.00 0.00 178.83 178.68 3e7n h LEU 80 N 0.79 0.82 -0.49 1.46 5.85 -1.87 -2.00 115.31 119.87 3e7n h LEU 80 Ca 0.20 -0.42 0.09 0.00 0.84 0.00 0.00 57.88 58.59 3e7n h LEU 80 Cb 0.07 -0.23 -0.07 0.00 0.37 0.00 0.00 40.66 40.80 3e7n h LEU 80 CO -0.03 1.17 0.08 -0.74 -0.34 0.00 0.00 178.44 178.58 3e7n h HIS 81 N 0.59 0.11 -0.07 1.25 2.76 -0.78 -1.25 115.15 117.76 3e7n h HIS 81 Ca 0.02 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.22 3e7n h HIS 81 Cb 1.07 0.02 -0.00 0.00 1.55 0.00 0.00 27.41 30.05 3e7n h HIS 81 CO 0.06 -0.03 0.02 1.49 -1.30 0.00 0.00 177.93 178.17 3e7n h GLU 82 N 0.20 0.10 -0.91 5.26 4.57 -0.92 -1.53 114.58 121.35 3e7n h GLU 82 Ca 0.25 -0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.43 3e7n h GLU 82 Cb 0.34 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.86 3e7n h GLU 82 CO -0.34 0.27 0.60 1.15 -1.18 0.00 0.00 179.01 179.51 3e7n h THR 83 N -0.08 1.17 -0.47 0.32 2.02 -1.16 -1.18 112.91 113.53 3e7n h THR 83 Ca 0.02 -0.40 -0.09 0.00 0.77 0.00 0.00 66.41 66.71 3e7n h THR 83 Cb 0.21 -0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.51 3e7n h THR 83 CO -0.00 0.21 -0.07 0.25 0.37 0.00 0.00 175.52 176.29 3e7n h LEU 84 N 1.17 0.88 -0.63 2.58 5.85 -0.99 -0.99 115.31 123.18 3e7n h LEU 84 Ca 0.36 -0.34 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 3e7n h LEU 84 Cb -0.03 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.73 3e7n h LEU 84 CO -0.11 1.01 0.30 -0.07 -0.34 0.00 0.00 178.44 179.24 3e7n h LEU 85 N 0.73 0.83 -0.52 2.25 3.38 -0.81 0.61 115.31 121.77 3e7n h LEU 85 Ca 0.13 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3e7n h LEU 85 Cb 0.60 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 3e7n h LEU 85 CO 0.04 0.73 0.34 0.74 0.09 0.00 0.00 178.44 180.37 3e7n h THR 86 N 0.87 1.14 -0.42 0.22 2.02 -1.12 -0.12 112.91 115.50 3e7n h THR 86 Ca 0.22 -0.27 -0.03 0.00 0.77 0.00 0.00 66.41 67.10 3e7n h THR 86 Cb 0.12 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 3e7n h THR 86 CO -0.03 0.14 0.16 -0.74 0.37 0.00 0.00 175.52 175.42 3e7n h HIS 87 N 0.70 0.65 0.00 3.16 -0.00 -0.81 -1.67 115.15 117.19 3e7n h HIS 87 Ca 0.19 -0.05 -0.05 0.00 -0.00 0.00 0.00 60.37 60.45 3e7n h HIS 87 Cb -0.06 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 27.14 3e7n h HIS 87 CO -0.04 0.58 -0.26 -0.07 -0.00 0.00 0.00 177.93 178.14 3e7n h LEU 88 N 0.54 0.00 -0.41 0.26 3.38 -0.61 0.12 115.31 118.58 3e7n h LEU 88 Ca 0.14 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 3e7n h LEU 88 Cb 0.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3e7n h LEU 88 CO -0.01 0.26 0.11 -0.08 0.09 0.00 0.00 178.44 178.81 3e7n h GLU 89 N 0.00 0.66 -0.31 1.13 4.81 -0.63 -1.36 114.58 118.88 3e7n h GLU 89 Ca -0.00 -0.15 -0.17 0.00 -0.13 0.00 0.00 59.36 58.91 3e7n h GLU 89 Cb 0.46 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.75 3e7n h GLU 89 CO 0.03 0.66 -0.46 1.96 -0.73 0.00 0.00 179.01 180.47 3e7n h GLN 90 N 0.53 0.81 -0.36 1.92 4.20 -0.60 -2.78 115.11 118.83 3e7n h GLN 90 Ca 0.13 -0.47 0.00 0.00 0.06 0.00 0.00 58.65 58.38 3e7n h GLN 90 Cb 0.29 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 3e7n h GLN 90 CO -0.00 1.10 0.23 1.25 -0.67 0.00 0.00 178.83 180.74 3e7n h LEU 91 N 0.65 0.41 -1.10 1.46 5.85 -0.68 -1.98 115.31 119.93 3e7n h LEU 91 Ca 0.04 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 3e7n h LEU 91 Cb 1.04 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.94 3e7n h LEU 91 CO 0.10 0.30 0.25 0.06 -0.34 0.00 0.00 178.44 178.82 3e7n h GLN 92 N 0.48 0.89 -0.62 1.25 3.07 -1.21 0.11 115.11 119.09 3e7n h GLN 92 Ca 0.13 -0.14 -0.02 0.00 0.09 0.00 0.00 58.65 58.71 3e7n h GLN 92 Cb -0.05 -0.16 -0.03 0.00 0.08 0.00 0.00 27.48 27.32 3e7n h GLN 92 CO -0.03 0.73 0.31 1.96 0.09 0.00 0.00 178.83 181.88 3e7n h GLN 93 N 0.88 0.89 -0.11 0.06 4.20 -1.18 0.33 115.11 120.18 3e7n h GLN 93 Ca 0.21 -0.13 -0.16 0.00 0.06 0.00 0.00 58.65 58.63 3e7n h GLN 93 Cb 0.16 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 3e7n h GLN 93 CO -0.02 0.71 -0.62 0.45 -0.67 0.00 0.00 178.83 178.68 3e7n h HIS 94 N 0.85 0.52 0.00 2.96 3.86 -0.62 -2.79 115.15 119.93 3e7n h HIS 94 Ca 0.21 -0.20 -0.03 0.00 -1.16 0.00 0.00 60.37 59.20 3e7n h HIS 94 Cb 0.11 -0.09 -0.00 0.00 1.06 0.00 0.00 27.41 28.48 3e7n h HIS 94 CO -0.00 0.91 -0.12 1.96 0.86 0.00 0.00 177.93 181.54 3e7n h GLN 95 N 0.30 0.00 -0.91 2.45 4.20 -0.49 -3.47 115.11 117.18 3e7n h GLN 95 Ca -0.01 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.58 3e7n h GLN 95 Cb 1.15 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.93 3e7n h GLN 95 CO 0.11 0.12 -0.16 0.41 -0.67 0.00 0.00 178.83 178.64 3e7n n GLY 96 N 0.34 0.11 0.00 3.46 0.00 0.11 -5.03 105.19 104.18 3e7n n GLY 96 Ca 0.01 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 0.79 0.48 -3.83 1.61 6.94 -0.66 -5.03 115.26 115.56 3e7n n ASN 97 Ca -0.07 -0.66 -0.26 0.00 -0.02 0.00 0.00 54.58 53.56 3e7n n ASN 97 Cb 0.56 0.00 -0.17 0.00 -2.36 0.00 0.00 39.78 37.81 3e7n n ASN 97 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 3e7n s THR 98 N -1.34 0.80 -0.31 5.53 -1.32 -1.26 -4.42 115.64 113.32 3e7n s THR 98 Ca 0.00 -0.36 -0.26 0.00 -1.21 0.00 0.00 61.69 59.86 3e7n s THR 98 Cb 0.00 -1.01 0.01 0.00 -1.51 0.00 0.00 72.50 69.99 3e7n s THR 98 CO 0.00 0.14 0.91 -0.63 -2.21 0.00 0.00 174.62 172.84 3e7n s ILE 99 N 1.77 4.68 0.05 5.08 1.01 -1.26 -4.87 121.20 127.66 3e7n s ILE 99 Ca 0.02 1.44 -0.30 0.00 0.00 0.00 0.00 60.65 61.81 3e7n s ILE 99 Cb -0.14 -4.26 -0.05 0.00 0.01 0.00 0.00 42.46 38.02 3e7n s ILE 99 CO -0.07 -0.34 1.13 -0.75 0.00 0.00 0.00 174.94 174.91 3e7n s LYS 100 N 3.24 4.48 -0.11 2.79 2.20 -0.88 -4.88 119.74 126.58 3e7n s LYS 100 Ca 0.38 1.67 -0.00 0.00 -0.36 0.00 0.00 55.97 57.65 3e7n s LYS 100 Cb -0.13 -3.37 -0.02 0.00 -1.51 0.00 0.00 37.83 32.79 3e7n s LYS 100 CO 0.13 -0.17 -0.09 0.42 -0.36 0.00 0.00 175.35 175.28 3e7n s ILE 101 N 0.94 3.43 0.10 5.43 1.09 -1.26 -0.26 121.20 130.68 3e7n s ILE 101 Ca 0.56 -0.54 -0.02 0.00 -1.10 0.00 0.00 60.65 59.55 3e7n s ILE 101 Cb -0.27 -2.44 -0.03 0.00 -1.06 0.00 0.00 42.46 38.65 3e7n s ILE 101 CO 0.29 0.54 0.06 -0.94 -0.10 0.00 0.00 174.94 174.79 3e7n s SER 102 N -0.04 0.33 -0.01 3.58 1.04 -0.63 -4.98 113.70 113.00 3e7n s SER 102 Ca -0.01 -1.08 0.05 0.00 0.48 0.00 0.00 55.95 55.39 3e7n s SER 102 Cb -0.14 0.28 -0.01 0.00 0.10 0.00 0.00 66.02 66.25 3e7n s SER 102 CO 0.03 -0.70 -0.17 -0.31 0.98 0.00 0.00 173.24 173.07 3e7n s TYR 103 N -3.99 1.54 0.28 5.02 2.02 -1.26 -1.14 117.35 119.83 3e7n s TYR 103 Ca 0.17 -0.30 0.02 0.00 -0.37 0.00 0.00 57.07 56.59 3e7n s TYR 103 Cb 0.07 -0.98 -0.04 0.00 -0.40 0.00 0.00 41.96 40.61 3e7n s TYR 103 CO -0.03 -0.02 0.13 0.95 -1.57 0.00 0.00 175.55 175.02 3e7n s THR 104 N -0.45 0.42 0.75 -0.71 -4.23 -0.64 -4.88 115.64 105.91 3e7n s THR 104 Ca 0.06 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.45 3e7n s THR 104 Cb -0.07 -2.56 0.05 0.00 1.34 0.00 0.00 72.50 71.26 3e7n s THR 104 CO -0.00 0.00 1.13 0.42 -0.54 0.00 0.00 174.62 175.63 3e7n s THR 105 N -3.68 2.85 0.28 3.99 -4.23 -1.26 -0.41 115.64 113.18 3e7n s THR 105 Ca 0.36 0.34 -0.03 0.00 -1.18 0.00 0.00 61.69 61.19 3e7n s THR 105 Cb 0.06 -2.78 0.22 0.00 1.34 0.00 0.00 72.50 71.34 3e7n s THR 105 CO 0.16 -0.30 1.90 -0.74 -0.54 0.00 0.00 174.62 175.10 3e7n h HIS 106 N -0.70 1.04 -0.70 3.99 2.76 -1.93 0.58 115.15 120.19 3e7n h HIS 106 Ca -0.45 -0.02 0.04 0.00 -2.20 0.00 0.00 60.37 57.73 3e7n h HIS 106 Cb 1.26 -0.33 -0.05 0.00 1.55 0.00 0.00 27.41 29.83 3e7n h HIS 106 CO 0.53 0.73 0.43 0.93 -1.30 0.00 0.00 177.93 179.24 3e7n h GLU 107 N 1.07 0.79 -0.19 5.26 4.39 -2.00 -0.73 114.58 123.17 3e7n h GLU 107 Ca 0.27 -0.05 -0.17 0.00 0.34 0.00 0.00 59.36 59.75 3e7n h GLU 107 Cb 0.03 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 28.50 3e7n h GLU 107 CO -0.04 0.52 -0.58 0.37 -1.16 0.00 0.00 179.01 178.12 3e7n h GLN 108 N 0.82 0.59 -0.20 2.33 5.75 -1.77 -2.84 115.11 119.79 3e7n h GLN 108 Ca 0.29 -0.39 0.05 0.00 -0.15 0.00 0.00 58.65 58.46 3e7n h GLN 108 Cb 0.08 0.05 -0.05 0.00 1.07 0.00 0.00 27.48 28.63 3e7n h GLN 108 CO -0.13 1.00 -0.12 0.35 -2.65 0.00 0.00 178.83 177.27 3e7n h PHE 109 N 0.45 -0.31 -0.94 3.99 3.57 -0.15 -1.41 116.94 122.13 3e7n h PHE 109 Ca 0.00 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.61 3e7n h PHE 109 Cb 1.13 0.17 -0.07 0.00 2.79 0.00 0.00 35.95 39.97 3e7n h PHE 109 CO 0.05 -0.19 0.59 0.87 -2.23 0.00 0.00 178.31 177.40 3e7n h LYS 110 N -0.12 1.01 -0.44 1.11 1.57 -1.08 -1.14 116.57 117.47 3e7n h LYS 110 Ca 0.11 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 3e7n h LYS 110 Cb 0.29 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 3e7n h LYS 110 CO -0.27 0.67 0.26 0.87 -0.57 0.00 0.00 179.45 180.40 3e7n h LYS 111 N 1.04 0.61 -0.05 3.15 1.57 -1.19 -2.50 116.57 119.19 3e7n h LYS 111 Ca 0.43 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 59.11 3e7n h LYS 111 Cb 0.26 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 3e7n h LYS 111 CO -0.20 0.47 -0.12 -0.07 -0.57 0.00 0.00 179.45 178.96 3e7n h LEU 112 N 0.58 0.07 -2.30 2.94 3.38 -0.24 -2.05 115.31 117.69 3e7n h LEU 112 Ca 0.16 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 3e7n h LEU 112 Cb 0.02 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 3e7n h LEU 112 CO -0.03 0.20 -0.02 0.71 0.09 0.00 0.00 178.44 179.39 3e7n h THR 113 N 0.07 0.63 0.00 0.22 1.35 -0.78 -1.37 112.91 113.02 3e7n h THR 113 Ca 0.02 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 3e7n h THR 113 Cb 0.26 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 67.74 3e7n h THR 113 CO 0.02 0.02 0.00 0.00 -0.25 0.00 0.00 175.52 175.31 3e7n h ALA 114 N 1.98 1.00 -0.03 6.62 0.00 -1.35 -2.48 119.26 125.00 3e7n h ALA 114 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3e7n h ALA 114 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3e7n h ALA 114 CO 0.00 0.00 -0.01 -0.25 0.00 0.00 0.00 179.25 178.99 3e7n n ASP 115 N -2.77 2.87 -4.86 0.00 8.00 -0.52 -4.60 116.55 114.68 3e7n n ASP 115 Ca -0.00 -1.95 -0.31 0.00 0.71 0.00 0.00 54.79 53.24 3e7n n ASP 115 Cb 0.20 0.01 0.04 0.00 -0.02 0.00 0.00 41.12 41.35 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 -2.01 5.64 0.19 -2.24 1.04 -0.94 -4.75 113.70 110.63 3e7n s SER 116 Ca 0.28 1.37 -0.00 0.00 0.48 0.00 0.00 55.95 58.08 3e7n s SER 116 Cb 0.20 -2.28 0.09 0.00 0.10 0.00 0.00 66.02 64.13 3e7n s SER 116 CO 0.31 -1.24 1.45 1.56 0.98 0.00 0.00 173.24 176.30 3e7n h GLN 117 N -0.58 0.36 -2.52 4.02 1.08 -1.40 -3.44 115.11 112.62 3e7n h GLN 117 Ca -0.45 -0.29 -0.04 0.00 -1.45 0.00 0.00 58.65 56.42 3e7n h GLN 117 Cb 1.22 0.06 -0.16 0.00 -0.05 0.00 0.00 27.48 28.55 3e7n h GLN 117 CO 0.61 0.93 0.17 0.00 -0.95 0.00 0.00 178.83 179.60 3e7n s ALA 118 N -3.61 -1.63 -0.19 3.87 0.00 -1.26 -3.34 121.76 115.59 3e7n s ALA 118 Ca -0.05 0.87 -0.03 0.00 0.00 0.00 0.00 51.96 52.75 3e7n s ALA 118 Cb 0.11 0.42 -0.01 0.00 0.00 0.00 0.00 23.12 23.64 3e7n s ALA 118 CO 0.83 -0.55 -0.07 0.08 0.00 0.00 0.00 175.76 176.05 3e7n s VAL 119 N -2.42 3.24 -0.34 0.00 1.01 -0.15 -1.06 120.40 120.68 3e7n s VAL 119 Ca -0.05 -0.55 -0.13 0.00 0.00 0.00 0.00 61.98 61.24 3e7n s VAL 119 Cb -0.01 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.92 3e7n s VAL 119 CO -0.01 0.46 0.26 -0.63 0.00 0.00 0.00 175.10 175.18 3e7n s ILE 120 N 1.16 5.27 -0.20 2.22 1.01 0.19 -1.11 121.20 129.74 3e7n s ILE 120 Ca 0.02 -0.20 -0.17 0.00 0.00 0.00 0.00 60.65 60.30 3e7n s ILE 120 Cb -0.14 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.55 3e7n s ILE 120 CO -0.02 -0.03 0.44 -0.60 0.00 0.00 0.00 174.94 174.73 3e7n s ARG 121 N 1.77 4.17 0.60 2.79 3.52 -0.05 -1.03 118.95 130.72 3e7n s ARG 121 Ca 0.07 0.28 0.06 0.00 -0.13 0.00 0.00 55.73 56.00 3e7n s ARG 121 Cb -0.17 -3.55 0.09 0.00 -1.56 0.00 0.00 34.95 29.76 3e7n s ARG 121 CO 0.11 -0.09 0.83 -1.54 -0.81 0.00 0.00 175.30 173.80 3e7n s SER 122 N 1.10 4.92 0.00 -2.12 1.04 -0.30 -1.91 113.70 116.43 3e7n s SER 122 Ca 0.21 -0.61 0.14 0.00 0.48 0.00 0.00 55.95 56.17 3e7n s SER 122 Cb -0.15 0.04 0.46 0.00 0.10 0.00 0.00 66.02 66.47 3e7n s SER 122 CO 0.09 -1.44 1.35 0.61 0.98 0.00 0.00 173.24 174.83 3e7n n GLY 123 N -2.40 0.37 3.73 7.32 0.00 0.47 -3.48 105.19 111.20 3e7n n GLY 123 Ca 0.14 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.66 4.20 -0.00 1.61 2.56 -1.25 -0.10 118.70 124.06 3e7n s GLU 124 Ca 0.25 2.42 0.14 0.00 0.00 0.00 0.00 54.97 57.78 3e7n s GLU 124 Cb 0.13 -3.11 -0.16 0.00 2.00 0.00 0.00 34.13 32.99 3e7n s GLU 124 CO 0.18 -0.58 0.60 0.00 -0.56 0.00 0.00 175.26 174.91 3e7n s SER 126 N -2.43 3.80 0.28 0.00 1.04 -1.26 -4.99 113.70 110.14 3e7n s SER 126 Ca 0.05 1.54 -0.29 0.00 0.48 0.00 0.00 55.95 57.73 3e7n s SER 126 Cb 0.11 -2.23 -0.09 0.00 0.10 0.00 0.00 66.02 63.91 3e7n s SER 126 CO 0.60 -2.44 1.01 -2.84 0.98 0.00 0.00 173.24 170.55 3e7n s PRO 127 N -4.95 4.67 -1.46 4.02 0.02 -1.26 -4.02 135.00 132.02 3e7n s PRO 127 Ca 0.63 1.59 -0.03 0.00 0.02 0.00 0.00 61.00 63.21 3e7n s PRO 127 Cb -0.17 -3.11 0.01 0.00 0.02 0.00 0.00 34.50 31.25 3e7n s PRO 127 CO 0.56 0.30 0.26 0.66 -0.33 0.00 0.00 177.00 178.46 3e7n n TYR 128 N 1.09 -1.53 -1.92 6.54 4.01 -1.26 -4.58 117.16 119.52 3e7n n TYR 128 Ca -0.00 0.23 -0.41 0.00 -0.16 0.00 0.00 57.90 57.55 3e7n n TYR 128 Cb 0.47 -3.68 -0.00 0.00 -0.31 0.00 0.00 39.34 35.82 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 -2.78 5.95 -3.62 -0.72 0.00 -1.26 -4.74 120.51 113.35 3e7n n ALA 129 Ca -0.15 -4.01 -0.16 0.00 0.00 0.00 0.00 53.44 49.12 3e7n n ALA 129 Cb 0.63 -3.22 -0.16 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 1.84 0.32 -0.00 0.00 0.01 -1.26 -1.94 114.94 113.90 3e7n s ASN 130 Ca 0.49 -0.01 0.01 0.00 -0.71 0.00 0.00 52.86 52.63 3e7n s ASN 130 Cb 0.14 -0.17 0.00 0.00 0.41 0.00 0.00 41.25 41.63 3e7n s ASN 130 CO -0.05 -0.09 -0.02 0.54 -1.51 0.00 0.00 177.10 175.97 3e7n s VAL 131 N 0.89 0.14 -0.27 1.60 0.11 -0.24 -4.50 120.40 118.12 3e7n s VAL 131 Ca -0.09 -0.06 -0.12 0.00 -2.93 0.00 0.00 61.98 58.79 3e7n s VAL 131 Cb -0.12 -0.13 -0.05 0.00 -1.53 0.00 0.00 36.38 34.55 3e7n s VAL 131 CO -0.02 0.05 0.22 -0.63 -3.33 0.00 0.00 175.10 171.39 3e7n s ILE 132 N 0.05 5.29 -0.17 7.04 1.01 -0.40 -1.48 121.20 132.54 3e7n s ILE 132 Ca -0.00 0.25 -0.08 0.00 0.00 0.00 0.00 60.65 60.82 3e7n s ILE 132 Cb -0.02 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 3e7n s ILE 132 CO -0.00 0.24 0.11 -0.76 0.00 0.00 0.00 174.94 174.53 3e7n s LEU 133 N 1.76 4.12 -0.16 2.97 1.43 -0.10 -0.70 118.68 128.00 3e7n s LEU 133 Ca 0.09 0.24 -0.05 0.00 -1.03 0.00 0.00 54.13 53.38 3e7n s LEU 133 Cb -0.16 -2.04 -0.03 0.00 0.03 0.00 0.00 46.19 43.99 3e7n s LEU 133 CO 0.10 0.24 -0.00 0.00 0.23 0.00 0.00 176.35 176.92 3e7n s ALA 135 N 0.22 3.33 -0.25 0.00 0.00 -0.33 -0.74 121.76 123.99 3e7n s ALA 135 Ca -0.00 0.74 -0.30 0.00 0.00 0.00 0.00 51.96 52.40 3e7n s ALA 135 Cb -0.13 -3.35 0.17 0.00 0.00 0.00 0.00 23.12 19.81 3e7n s ALA 135 CO 0.02 -0.20 1.25 0.20 0.00 0.00 0.00 175.76 177.03 3e7n s GLY 136 N 0.17 -0.03 0.00 0.00 0.00 -0.48 -1.07 107.32 105.90 3e7n s GLY 136 Ca 0.50 2.54 0.00 0.00 0.00 0.00 0.00 44.72 47.77 3e7n s GLY 136 CO 0.32 1.05 0.32 3.33 0.00 0.00 0.00 173.10 178.12