#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 -5.20 120.51 119.25 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 -2.05 0.00 4.81 -1.26 -5.04 118.16 114.63 3e7n n LYS 2 Ca 0.00 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 57.05 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 3.80 0.00 1.64 1.02 -1.26 -4.82 119.74 120.12 3e7n s LYS 3 Ca 0.00 2.10 0.00 0.00 0.02 0.00 0.00 55.97 58.09 3e7n s LYS 3 Cb 0.00 -2.61 0.00 0.00 -0.52 0.00 0.00 37.83 34.70 3e7n s LYS 3 CO 0.00 -0.62 0.00 0.41 -0.92 0.00 0.00 175.35 174.22 3e7n n GLY 4 N 0.63 -1.39 0.00 -3.33 0.00 -1.26 -4.83 105.19 95.01 3e7n n GLY 4 Ca 0.05 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 44.00 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 -2.99 2.61 -2.24 -1.26 -4.89 114.28 105.51 3e7n n THR 5 Ca 0.00 -0.28 -0.44 0.00 -2.27 0.00 0.00 64.05 61.06 3e7n n THR 5 Cb 0.00 1.27 -0.03 0.00 -2.10 0.00 0.00 70.33 69.47 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 -0.21 4.77 -0.13 2.28 1.01 -1.26 -4.89 120.40 121.96 3e7n s VAL 6 Ca 0.00 -1.34 0.18 0.00 0.00 0.00 0.00 61.98 60.83 3e7n s VAL 6 Cb 0.00 -4.67 -0.17 0.00 0.00 0.00 0.00 36.38 31.54 3e7n s VAL 6 CO 0.00 -1.37 0.68 0.18 0.00 0.00 0.00 175.10 174.59 3e7n n LEU 7 N 6.44 0.59 -4.74 3.92 4.77 -1.26 -4.85 117.00 121.87 3e7n n LEU 7 Ca 0.11 0.26 -0.42 0.00 -0.03 0.00 0.00 56.01 55.93 3e7n n LEU 7 Cb 0.47 0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.64 3e7n n LEU 7 CO 0.53 0.14 1.12 0.21 -1.33 0.00 0.00 177.39 178.06 3e7n s ASN 8 N -5.49 6.66 0.17 -1.43 3.84 -1.26 -4.92 114.94 112.51 3e7n s ASN 8 Ca -0.05 2.63 -0.08 0.00 0.21 0.00 0.00 52.86 55.58 3e7n s ASN 8 Cb 0.09 -2.61 0.05 0.00 -0.55 0.00 0.00 41.25 38.22 3e7n s ASN 8 CO 0.83 -0.72 1.52 0.77 -2.79 0.00 0.00 177.10 176.71 3e7n h SER 9 N 5.50 0.87 -0.21 -4.21 4.64 -1.99 -1.80 113.55 116.36 3e7n h SER 9 Ca -0.45 -0.39 -0.17 0.00 -0.47 0.00 0.00 61.79 60.31 3e7n h SER 9 Cb 1.21 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 3e7n h SER 9 CO 0.81 1.15 -0.53 -0.33 -0.87 0.00 0.00 176.83 177.06 3e7n h GLU 10 N 0.67 0.72 -0.26 4.77 4.39 -1.99 -1.41 114.58 121.48 3e7n h GLU 10 Ca 0.06 -0.50 -0.00 0.00 0.34 0.00 0.00 59.36 59.25 3e7n h GLU 10 Cb 0.95 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.67 3e7n h GLU 10 CO 0.09 1.12 0.16 0.82 -1.16 0.00 0.00 179.01 180.04 3e7n h ILE 11 N 0.44 1.10 -0.58 3.13 2.04 -1.96 -0.39 117.51 121.29 3e7n h ILE 11 Ca -0.01 -0.24 0.03 0.00 1.00 0.00 0.00 64.86 65.64 3e7n h ILE 11 Cb 1.15 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 37.97 3e7n h ILE 11 CO 0.12 0.10 0.35 0.28 0.00 0.00 0.00 178.15 178.99 3e7n h SER 12 N 0.33 0.56 -0.13 1.72 0.02 -1.29 -0.53 113.55 114.23 3e7n h SER 12 Ca 0.09 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3e7n h SER 12 Cb 0.02 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 3e7n h SER 12 CO -0.02 0.39 0.08 -1.28 -1.14 0.00 0.00 176.83 174.86 3e7n h SER 13 N 0.68 0.16 -0.44 3.07 0.87 -0.95 -2.25 113.55 114.69 3e7n h SER 13 Ca 0.24 -0.07 -0.12 0.00 -1.23 0.00 0.00 61.79 60.61 3e7n h SER 13 Cb 0.04 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 3e7n h SER 13 CO -0.11 0.18 -0.20 1.62 -0.53 0.00 0.00 176.83 177.80 3e7n h VAL 14 N 0.13 1.27 -0.78 2.23 3.04 -0.66 -2.81 116.25 118.68 3e7n h VAL 14 Ca 0.05 -1.35 -0.00 0.00 -1.01 0.00 0.00 66.70 64.39 3e7n h VAL 14 Cb 0.05 1.20 -0.04 0.00 -2.01 0.00 0.00 31.29 30.49 3e7n h VAL 14 CO -0.01 0.46 0.47 0.40 -1.01 0.00 0.00 177.57 177.89 3e7n h ILE 15 N 0.75 1.22 0.00 3.17 2.04 -1.05 -1.94 117.51 121.69 3e7n h ILE 15 Ca 0.10 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.49 3e7n h ILE 15 Cb 0.77 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 3e7n h ILE 15 CO 0.06 0.23 0.00 -1.54 0.00 0.00 0.00 178.15 176.90 3e7n n SER 16 N -4.38 0.60 -0.54 1.72 3.41 -0.85 -2.43 113.62 111.14 3e7n n SER 16 Ca 0.08 0.63 0.12 0.00 -0.26 0.00 0.00 58.87 59.44 3e7n n SER 16 Cb 0.06 -0.76 0.09 0.00 -0.26 0.00 0.00 64.21 63.35 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 -2.14 1.38 -2.27 4.33 1.74 -0.74 -4.98 116.66 113.98 3e7n n ARG 17 Ca 0.03 -1.09 -0.41 0.00 -0.77 0.00 0.00 57.85 55.61 3e7n n ARG 17 Cb 0.26 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.19 3e7n n ARG 17 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3e7n s LEU 18 N -2.38 4.48 0.48 0.55 1.43 -1.02 -5.06 118.68 117.17 3e7n s LEU 18 Ca 0.22 2.50 0.05 0.00 -1.03 0.00 0.00 54.13 55.87 3e7n s LEU 18 Cb 0.19 -3.64 -0.02 0.00 0.03 0.00 0.00 46.19 42.75 3e7n s LEU 18 CO 0.51 -0.37 0.17 -0.83 0.23 0.00 0.00 176.35 176.05 3e7n s GLY 19 N -0.59 2.60 0.14 -3.19 0.00 -1.26 -5.05 107.32 99.96 3e7n s GLY 19 Ca 0.48 -1.30 -0.34 0.00 0.00 0.00 0.00 44.72 43.56 3e7n s GLY 19 CO 0.47 -2.03 1.64 1.57 0.00 0.00 0.00 173.10 174.75 3e7n n HIS 20 N -1.37 2.35 -0.17 1.90 -0.00 -1.26 -1.60 115.22 115.07 3e7n n HIS 20 Ca -0.08 0.19 0.00 0.00 0.46 0.00 0.00 57.72 58.29 3e7n n HIS 20 Cb 0.65 -2.58 0.00 0.00 -0.12 0.00 0.00 29.99 27.94 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 3.73 0.00 -1.75 3.57 -2.24 0.06 -5.00 114.28 112.66 3e7n n THR 21 Ca 0.18 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.58 3e7n n THR 21 Cb 0.30 -0.00 0.06 0.00 -2.10 0.00 0.00 70.33 68.59 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 -3.81 4.70 0.18 3.42 1.01 -0.63 -4.69 116.67 116.85 3e7n s ASP 22 Ca 0.00 2.65 0.11 0.00 0.71 0.00 0.00 52.55 56.02 3e7n s ASP 22 Cb 0.00 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.27 3e7n s ASP 22 CO 0.00 -1.95 -0.23 0.42 0.21 0.00 0.00 175.17 173.62 3e7n s THR 23 N -1.38 2.42 -0.04 -1.27 -4.23 -1.26 -1.18 115.64 108.70 3e7n s THR 23 Ca 0.81 -1.94 0.01 0.00 -1.18 0.00 0.00 61.69 59.39 3e7n s THR 23 Cb -0.38 -2.15 0.02 0.00 1.34 0.00 0.00 72.50 71.33 3e7n s THR 23 CO 0.41 -0.07 -0.04 -0.22 -0.54 0.00 0.00 174.62 174.16 3e7n s LEU 24 N -2.56 1.39 -0.12 4.79 2.96 -0.25 -0.89 118.68 123.99 3e7n s LEU 24 Ca 0.20 -0.11 -0.05 0.00 -0.22 0.00 0.00 54.13 53.95 3e7n s LEU 24 Cb -0.08 -0.40 -0.04 0.00 0.50 0.00 0.00 46.19 46.17 3e7n s LEU 24 CO 0.10 -0.05 0.06 -0.69 -1.32 0.00 0.00 176.35 174.45 3e7n s VAL 25 N 0.80 4.78 -0.18 1.68 1.01 -0.50 -0.84 120.40 127.15 3e7n s VAL 25 Ca -0.10 -0.06 -0.01 0.00 0.00 0.00 0.00 61.98 61.80 3e7n s VAL 25 Cb -0.13 -3.07 -0.01 0.00 0.00 0.00 0.00 36.38 33.17 3e7n s VAL 25 CO -0.00 0.58 -0.11 -0.69 0.00 0.00 0.00 175.10 174.88 3e7n s VAL 26 N -0.63 3.01 0.31 2.92 1.01 -0.63 0.24 120.40 126.64 3e7n s VAL 26 Ca 0.11 -0.64 0.04 0.00 0.00 0.00 0.00 61.98 61.49 3e7n s VAL 26 Cb -0.12 -2.31 -0.06 0.00 0.00 0.00 0.00 36.38 33.89 3e7n s VAL 26 CO 0.02 0.48 0.05 0.00 0.00 0.00 0.00 175.10 175.66 3e7n s ASP 28 N -3.46 3.92 0.20 0.00 1.47 -0.81 -1.02 116.67 116.98 3e7n s ASP 28 Ca 0.36 -0.34 0.20 0.00 1.18 0.00 0.00 52.55 53.95 3e7n s ASP 28 Cb 0.08 0.12 0.89 0.00 -0.34 0.00 0.00 42.92 43.67 3e7n s ASP 28 CO 0.15 -2.17 1.62 0.00 0.68 0.00 0.00 175.17 175.45 3e7n n ALA 29 N -3.09 1.54 0.53 2.11 0.00 -0.03 -3.01 120.51 118.54 3e7n n ALA 29 Ca 0.16 0.07 0.06 0.00 0.00 0.00 0.00 53.44 53.73 3e7n n ALA 29 Cb 0.60 -1.33 -0.01 0.00 0.00 0.00 0.00 19.45 18.72 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 -0.27 -0.12 3.73 0.00 0.00 -1.26 -5.02 105.19 102.26 3e7n n GLY 30 Ca 0.02 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.79 4.39 0.41 0.99 2.96 -1.16 -4.99 118.68 119.49 3e7n s LEU 31 Ca 0.09 2.41 -0.25 0.00 -0.22 0.00 0.00 54.13 56.17 3e7n s LEU 31 Cb 0.09 -3.60 -0.08 0.00 0.50 0.00 0.00 46.19 43.10 3e7n s LEU 31 CO 0.31 -0.61 1.16 -2.16 -1.32 0.00 0.00 176.35 173.74 3e7n s PRO 32 N 0.36 4.00 -0.20 0.98 0.04 -1.26 -5.00 135.00 133.92 3e7n s PRO 32 Ca 0.60 1.81 -0.00 0.00 0.04 0.00 0.00 61.00 63.45 3e7n s PRO 32 Cb -0.37 -2.62 0.02 0.00 0.04 0.00 0.00 34.50 31.56 3e7n s PRO 32 CO 0.35 -0.36 -0.14 0.42 0.04 0.00 0.00 177.00 177.32 3e7n s ILE 33 N -1.45 2.48 0.60 0.56 1.01 -1.26 -5.09 121.20 118.04 3e7n s ILE 33 Ca 0.58 -0.87 -0.18 0.00 0.00 0.00 0.00 60.65 60.18 3e7n s ILE 33 Cb -0.30 -2.11 -0.03 0.00 0.01 0.00 0.00 42.46 40.03 3e7n s ILE 33 CO 0.37 0.45 1.17 -2.84 0.00 0.00 0.00 174.94 174.09 3e7n s PRO 34 N 1.33 2.99 0.00 2.79 0.02 -1.26 -4.92 135.00 135.96 3e7n s PRO 34 Ca 0.04 1.71 0.26 0.00 0.02 0.00 0.00 61.00 63.03 3e7n s PRO 34 Cb -0.14 -1.95 1.21 0.00 0.02 0.00 0.00 34.50 33.64 3e7n s PRO 34 CO -0.09 -1.16 1.85 0.27 -0.33 0.00 0.00 177.00 177.53 3e7n n ASN 35 N -1.69 0.00 0.00 2.53 6.94 -1.26 -2.56 115.26 119.22 3e7n n ASN 35 Ca 0.13 0.16 0.10 0.00 -0.02 0.00 0.00 54.58 54.94 3e7n n ASN 35 Cb 0.50 -0.37 0.59 0.00 -2.36 0.00 0.00 39.78 38.14 3e7n n ASN 35 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 3e7n n SER 36 N -1.37 0.00 -4.13 0.53 3.41 -1.26 -4.83 113.62 105.97 3e7n n SER 36 Ca 0.10 -1.23 -0.16 0.00 -0.26 0.00 0.00 58.87 57.32 3e7n n SER 36 Cb 0.24 0.00 -0.12 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 0.88 0.32 6.66 -1.32 -1.06 -4.91 115.64 114.21 3e7n s THR 37 Ca 0.30 -1.22 -0.28 0.00 -1.21 0.00 0.00 61.69 59.28 3e7n s THR 37 Cb 0.14 -0.89 -0.10 0.00 -1.51 0.00 0.00 72.50 70.14 3e7n s THR 37 CO 0.23 -0.29 1.17 0.00 -2.21 0.00 0.00 174.62 173.52 3e7n s ALA 38 N -1.33 3.38 -0.29 11.08 0.00 -1.22 -4.87 121.76 128.50 3e7n s ALA 38 Ca -0.05 1.01 -0.08 0.00 0.00 0.00 0.00 51.96 52.84 3e7n s ALA 38 Cb -0.10 -3.38 -0.01 0.00 0.00 0.00 0.00 23.12 19.64 3e7n s ALA 38 CO 0.01 -0.36 0.11 0.50 0.00 0.00 0.00 175.76 176.02 3e7n s ARG 39 N -1.73 3.31 -0.40 0.00 3.52 -1.26 -0.91 118.95 121.47 3e7n s ARG 39 Ca 0.48 -0.72 -0.04 0.00 -0.13 0.00 0.00 55.73 55.32 3e7n s ARG 39 Cb -0.34 -3.44 0.10 0.00 -1.56 0.00 0.00 34.95 29.71 3e7n s ARG 39 CO 0.44 -0.38 0.20 0.42 -0.81 0.00 0.00 175.30 175.16 3e7n s ILE 40 N 1.57 3.44 0.28 4.11 1.01 -0.31 -4.98 121.20 126.33 3e7n s ILE 40 Ca 0.04 -1.88 -0.04 0.00 0.00 0.00 0.00 60.65 58.77 3e7n s ILE 40 Cb -0.17 -3.28 -0.05 0.00 0.01 0.00 0.00 42.46 38.98 3e7n s ILE 40 CO 0.04 -0.61 0.54 -0.62 0.00 0.00 0.00 174.94 174.29 3e7n s ASP 41 N 1.86 6.44 0.22 3.58 -1.08 -1.26 -0.92 116.67 125.52 3e7n s ASP 41 Ca 0.06 0.68 0.00 0.00 -0.52 0.00 0.00 52.55 52.77 3e7n s ASP 41 Cb -0.23 -2.13 0.00 0.00 -1.46 0.00 0.00 42.92 39.10 3e7n s ASP 41 CO -0.03 -0.18 0.00 0.00 0.52 0.00 0.00 175.17 175.48 3e7n n ALA 43 N -0.93 -1.97 -0.11 3.66 0.00 -0.68 -4.96 120.51 115.53 3e7n n ALA 43 Ca -0.02 0.48 -0.21 0.00 0.00 0.00 0.00 53.44 53.70 3e7n n ALA 43 Cb 0.54 -1.47 -0.08 0.00 0.00 0.00 0.00 19.45 18.44 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 1.91 -3.84 0.00 7.94 -0.28 -4.95 117.00 119.68 3e7n n LEU 44 Ca 0.00 0.40 -0.08 0.00 -1.11 0.00 0.00 56.01 55.22 3e7n n LEU 44 Cb 0.00 -0.86 0.00 0.00 0.53 0.00 0.00 43.42 43.10 3e7n n LEU 44 CO 0.00 0.21 0.49 0.28 -1.11 0.00 0.00 177.39 177.26 3e7n s THR 45 N -2.50 0.00 -0.12 1.96 -1.32 -1.05 -5.04 115.64 107.57 3e7n s THR 45 Ca -0.31 -1.03 -0.37 0.00 -1.21 0.00 0.00 61.69 58.76 3e7n s THR 45 Cb 0.09 -2.54 -0.15 0.00 -1.51 0.00 0.00 72.50 68.39 3e7n s THR 45 CO 0.48 0.00 1.69 0.00 -2.21 0.00 0.00 174.62 174.58 3e7n n GLN 46 N -0.50 1.51 -0.94 7.08 3.00 -1.26 -0.80 117.38 125.47 3e7n n GLN 46 Ca -0.06 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 3.89 0.60 2.82 1.08 0.00 0.87 -4.99 105.19 109.45 3e7n n GLY 47 Ca 0.23 0.00 -0.27 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 -2.60 0.76 0.66 1.61 1.01 0.02 -3.09 120.40 118.77 3e7n s VAL 48 Ca 0.00 -0.43 -0.11 0.00 0.00 0.00 0.00 61.98 61.44 3e7n s VAL 48 Cb 0.00 -1.03 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 3e7n s VAL 48 CO 0.00 0.06 1.05 -2.16 0.00 0.00 0.00 175.10 174.06 3e7n s PRO 49 N 1.78 3.27 0.76 2.72 0.04 -1.26 -1.13 135.00 141.17 3e7n s PRO 49 Ca 0.01 0.69 -0.11 0.00 0.04 0.00 0.00 61.00 61.63 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 -0.79 1.09 -1.54 0.04 0.00 0.00 177.00 175.72 3e7n s SER 50 N -4.18 4.89 0.00 6.66 1.04 -1.18 -0.21 113.70 120.73 3e7n s SER 50 Ca 0.56 1.31 0.00 0.00 0.48 0.00 0.00 55.95 58.31 3e7n s SER 50 Cb -0.11 -2.09 0.00 0.00 0.10 0.00 0.00 66.02 63.91 3e7n s SER 50 CO 0.54 -1.71 0.00 0.33 0.98 0.00 0.00 173.24 173.37 3e7n n PHE 51 N -3.27 0.00 0.00 5.02 7.35 -1.26 -2.46 117.46 122.84 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 0.45 0.00 -0.02 -4.13 6.02 -1.26 -1.25 117.38 117.19 3e7n n GLN 53 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.86 3e7n n GLN 53 Cb 0.00 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.16 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 -0.40 5.09 2.07 -1.84 -1.86 116.25 120.74 3e7n h VAL 54 Ca 0.00 -1.30 0.07 0.00 0.82 0.00 0.00 66.70 66.29 3e7n h VAL 54 Cb 0.00 2.26 -0.06 0.00 -1.52 0.00 0.00 31.29 31.97 3e7n h VAL 54 CO 0.00 0.34 0.06 0.58 0.02 0.00 0.00 177.57 178.57 3e7n h VAL 55 N -0.47 0.76 -0.01 2.57 2.07 -1.45 -0.51 116.25 119.21 3e7n h VAL 55 Ca 0.00 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 67.48 3e7n h VAL 55 Cb 0.57 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 3e7n h VAL 55 CO 0.01 0.03 -0.12 -0.78 0.02 0.00 0.00 177.57 176.73 3e7n h ASP 56 N 0.18 -0.35 -0.42 0.57 3.58 -1.81 -1.21 116.42 116.95 3e7n h ASP 56 Ca 0.20 0.05 -0.05 0.00 0.42 0.00 0.00 57.03 57.65 3e7n h ASP 56 Cb 0.25 0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.44 3e7n h ASP 56 CO -0.28 -0.17 0.07 0.58 -2.88 0.00 0.00 179.24 176.57 3e7n h VAL 57 N -0.20 1.24 -0.73 2.25 2.07 -0.84 -2.73 116.25 117.30 3e7n h VAL 57 Ca 0.05 -0.87 0.06 0.00 0.82 0.00 0.00 66.70 66.76 3e7n h VAL 57 Cb 0.26 0.99 -0.06 0.00 -1.52 0.00 0.00 31.29 30.96 3e7n h VAL 57 CO -0.13 0.30 0.42 0.58 0.02 0.00 0.00 177.57 178.77 3e7n h VAL 58 N 0.56 0.98 0.00 2.57 2.07 -0.92 -2.54 116.25 118.98 3e7n h VAL 58 Ca 0.13 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.39 3e7n h VAL 58 Cb 0.37 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 3e7n h VAL 58 CO 0.01 0.14 0.00 0.35 0.02 0.00 0.00 177.57 178.09 3e7n n THR 59 N -4.74 0.26 0.21 2.57 -2.24 -0.47 -2.10 114.28 107.76 3e7n n THR 59 Ca 0.10 0.06 0.08 0.00 -2.27 0.00 0.00 64.05 62.02 3e7n n THR 59 Cb 0.18 -0.64 0.42 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 -1.06 -0.78 3.08 -1.16 -3.45 114.38 111.01 3e7n h ARG 60 Ca 0.00 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.40 3e7n h ARG 60 Cb 0.38 0.00 -0.33 0.00 0.08 0.00 0.00 29.97 30.10 3e7n h ARG 60 CO 0.00 0.29 0.37 0.39 -1.07 0.00 0.00 179.97 179.95 3e7n n GLU 61 N -3.49 2.98 -3.68 0.04 1.02 -0.89 -5.08 120.64 111.55 3e7n n GLU 61 Ca -0.00 -3.61 -0.24 0.00 -0.02 0.00 0.00 57.16 53.29 3e7n n GLU 61 Cb 0.45 -2.28 -0.17 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 -3.78 0.20 -0.16 3.49 -1.52 -1.26 -5.06 119.66 111.56 3e7n s GLN 63 Ca 0.59 0.06 -0.05 0.00 -1.95 0.00 0.00 55.36 54.01 3e7n s GLN 63 Cb 0.47 -1.26 -0.03 0.00 -0.22 0.00 0.00 33.01 31.96 3e7n s GLN 63 CO -0.05 -0.48 0.00 0.08 -0.25 0.00 0.00 175.29 174.59 3e7n s VAL 64 N 2.08 4.25 -0.17 1.09 1.01 -1.25 -1.35 120.40 126.06 3e7n s VAL 64 Ca 0.03 -0.23 0.13 0.00 0.00 0.00 0.00 61.98 61.91 3e7n s VAL 64 Cb -0.14 -2.88 -0.18 0.00 0.00 0.00 0.00 36.38 33.17 3e7n s VAL 64 CO -0.06 0.48 0.35 -1.84 0.00 0.00 0.00 175.10 174.03 3e7n n GLU 65 N 3.49 1.03 -3.44 2.72 0.28 0.49 -4.68 120.64 120.53 3e7n n GLU 65 Ca -0.17 -0.09 -0.12 0.00 -0.16 0.00 0.00 57.16 56.62 3e7n n GLU 65 Cb 0.52 -1.25 -0.02 0.00 1.43 0.00 0.00 31.44 32.12 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 -2.71 -1.64 -0.01 -1.84 0.00 -1.19 -2.19 121.76 112.17 3e7n s ALA 66 Ca -0.02 0.61 0.01 0.00 0.00 0.00 0.00 51.96 52.56 3e7n s ALA 66 Cb 0.09 0.77 0.00 0.00 0.00 0.00 0.00 23.12 23.97 3e7n s ALA 66 CO 0.53 -0.74 -0.04 0.00 0.00 0.00 0.00 175.76 175.52 3e7n s ALA 67 N -3.52 0.35 -0.08 0.00 0.00 0.64 -0.88 121.76 118.27 3e7n s ALA 67 Ca 0.01 -0.13 0.04 0.00 0.00 0.00 0.00 51.96 51.88 3e7n s ALA 67 Cb -0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.97 3e7n s ALA 67 CO -0.11 0.06 -0.20 0.42 0.00 0.00 0.00 175.76 175.93 3e7n s ILE 68 N 0.07 2.51 0.18 0.00 1.01 0.42 -1.82 121.20 123.56 3e7n s ILE 68 Ca -0.00 -0.89 0.07 0.00 0.00 0.00 0.00 60.65 59.82 3e7n s ILE 68 Cb -0.03 -1.97 -0.04 0.00 0.01 0.00 0.00 42.46 40.42 3e7n s ILE 68 CO -0.00 0.56 -0.13 -0.76 0.00 0.00 0.00 174.94 174.61 3e7n s LEU 69 N -0.14 2.53 0.19 2.97 1.43 -0.35 -1.02 118.68 124.28 3e7n s LEU 69 Ca -0.03 -0.98 -0.30 0.00 -1.03 0.00 0.00 54.13 51.79 3e7n s LEU 69 Cb -0.14 -0.57 -0.08 0.00 0.03 0.00 0.00 46.19 45.44 3e7n s LEU 69 CO 0.04 -0.21 1.06 0.00 0.23 0.00 0.00 176.35 177.47 3e7n s ALA 70 N -2.93 3.35 0.43 4.21 0.00 -1.26 -1.59 121.76 123.97 3e7n s ALA 70 Ca 0.19 0.76 0.14 0.00 0.00 0.00 0.00 51.96 53.05 3e7n s ALA 70 Cb -0.01 -3.32 1.03 0.00 0.00 0.00 0.00 23.12 20.83 3e7n s ALA 70 CO 0.04 -0.12 1.95 1.15 0.00 0.00 0.00 175.76 178.78 3e7n h THR 71 N 3.63 0.85 -0.10 0.00 2.02 -0.79 -1.89 112.91 116.63 3e7n h THR 71 Ca -0.44 -0.15 0.03 0.00 0.77 0.00 0.00 66.41 66.62 3e7n h THR 71 Cb 1.21 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 68.00 3e7n h THR 71 CO 0.71 0.08 0.14 -0.33 0.37 0.00 0.00 175.52 176.49 3e7n h GLU 72 N 0.42 0.00 -0.20 6.66 3.07 -1.92 -2.16 114.58 120.45 3e7n h GLU 72 Ca 0.32 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.17 3e7n h GLU 72 Cb 0.69 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.58 3e7n h GLU 72 CO -0.10 0.00 0.04 0.97 -1.40 0.00 0.00 179.01 178.52 3e7n h ILE 73 N 0.00 1.11 -0.05 3.13 2.10 -1.63 -1.80 117.51 120.37 3e7n h ILE 73 Ca 0.05 -0.39 0.02 0.00 1.08 0.00 0.00 64.86 65.63 3e7n h ILE 73 Cb 0.33 0.92 -0.03 0.00 -1.09 0.00 0.00 36.82 36.95 3e7n h ILE 73 CO -0.00 0.14 -0.10 0.11 -1.08 0.00 0.00 178.15 177.22 3e7n h LYS 74 N 0.28 -0.14 0.04 2.19 1.57 -1.59 0.05 116.57 118.97 3e7n h LYS 74 Ca 0.07 0.01 -0.28 0.00 -1.87 0.00 0.00 60.65 58.58 3e7n h LYS 74 Cb 0.13 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 3e7n h LYS 74 CO -0.00 -0.09 -1.50 1.96 -0.57 0.00 0.00 179.45 179.24 3e7n h GLN 75 N -0.15 0.08 -0.01 3.15 1.08 -1.74 -3.34 115.11 114.19 3e7n h GLN 75 Ca 0.05 -0.13 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 3e7n h GLN 75 Cb 0.22 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 3e7n h GLN 75 CO -0.14 0.82 -0.51 1.04 -0.95 0.00 0.00 178.83 179.10 3e7n n GLN 76 N -3.25 1.39 -2.85 1.46 6.02 -0.68 -4.52 117.38 114.96 3e7n n GLN 76 Ca -0.13 -0.68 -0.11 0.00 -0.01 0.00 0.00 57.00 56.07 3e7n n GLN 76 Cb 1.02 -1.36 0.05 0.00 1.02 0.00 0.00 30.24 30.97 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 -0.40 -0.57 0.05 1.08 2.85 -0.00 -4.60 115.26 113.66 3e7n n ASN 77 Ca 0.07 -3.05 0.02 0.00 -0.11 0.00 0.00 54.58 51.50 3e7n n ASN 77 Cb 0.37 0.51 0.36 0.00 1.24 0.00 0.00 39.78 42.26 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 2.80 0.41 -0.21 1.20 0.13 -1.67 -0.27 132.00 134.40 3e7n h PRO 78 Ca -0.08 -0.07 -0.03 0.00 -0.87 0.00 0.00 66.00 64.95 3e7n h PRO 78 Cb 1.12 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 3e7n h PRO 78 CO 0.27 0.44 -0.00 1.96 -0.23 0.00 0.00 178.00 180.44 3e7n h GLN 79 N 0.40 0.36 -0.46 0.86 4.20 -1.91 -1.57 115.11 117.00 3e7n h GLN 79 Ca 0.09 -0.12 -0.09 0.00 0.06 0.00 0.00 58.65 58.60 3e7n h GLN 79 Cb 0.26 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 3e7n h GLN 79 CO 0.01 0.56 -0.05 1.25 -0.67 0.00 0.00 178.83 179.93 3e7n h LEU 80 N 0.13 0.85 -0.48 1.46 5.85 -1.84 -1.64 115.31 119.63 3e7n h LEU 80 Ca 0.06 -0.33 0.10 0.00 0.84 0.00 0.00 57.88 58.54 3e7n h LEU 80 Cb 0.40 -0.23 -0.10 0.00 0.37 0.00 0.00 40.66 41.10 3e7n h LEU 80 CO 0.01 0.98 -0.16 -0.74 -0.34 0.00 0.00 178.44 178.18 3e7n h HIS 81 N 0.70 -0.38 -0.48 1.25 2.76 -0.95 -0.47 115.15 117.58 3e7n h HIS 81 Ca 0.12 0.05 -0.07 0.00 -2.20 0.00 0.00 60.37 58.27 3e7n h HIS 81 Cb 0.57 0.24 -0.02 0.00 1.55 0.00 0.00 27.41 29.76 3e7n h HIS 81 CO 0.04 -0.25 0.02 0.93 -1.30 0.00 0.00 177.93 177.37 3e7n h GLU 82 N -0.05 0.83 -0.85 5.26 4.39 -1.05 -1.40 114.58 121.70 3e7n h GLU 82 Ca 0.23 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 59.68 3e7n h GLU 82 Cb 0.41 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.94 3e7n h GLU 82 CO -0.52 0.87 0.55 1.15 -1.16 0.00 0.00 179.01 179.90 3e7n h THR 83 N 0.69 1.22 -0.29 1.13 2.02 -0.74 -1.47 112.91 115.47 3e7n h THR 83 Ca 0.14 -0.43 -0.08 0.00 0.77 0.00 0.00 66.41 66.81 3e7n h THR 83 Cb 0.48 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 3e7n h THR 83 CO 0.02 0.22 -0.12 0.25 0.37 0.00 0.00 175.52 176.26 3e7n h LEU 84 N 1.16 0.62 -0.56 2.58 5.85 -0.71 -1.55 115.31 122.69 3e7n h LEU 84 Ca 0.31 -0.40 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 3e7n h LEU 84 Cb -0.11 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.72 3e7n h LEU 84 CO -0.06 0.88 0.30 -0.07 -0.34 0.00 0.00 178.44 179.14 3e7n h LEU 85 N 0.35 0.71 -0.42 2.25 3.38 -0.96 0.82 115.31 121.44 3e7n h LEU 85 Ca 0.07 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 57.96 3e7n h LEU 85 Cb 0.63 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 3e7n h LEU 85 CO 0.04 0.60 0.24 0.74 0.09 0.00 0.00 178.44 180.15 3e7n h THR 86 N 0.76 1.03 -0.54 0.22 2.02 -1.18 0.50 112.91 115.71 3e7n h THR 86 Ca 0.20 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 67.20 3e7n h THR 86 Cb 0.06 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 66.94 3e7n h THR 86 CO -0.03 0.09 0.30 -0.74 0.37 0.00 0.00 175.52 175.51 3e7n h HIS 87 N 0.48 0.75 0.00 3.16 -0.00 -0.70 -1.64 115.15 117.19 3e7n h HIS 87 Ca 0.17 -0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.47 3e7n h HIS 87 Cb 0.03 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 27.19 3e7n h HIS 87 CO -0.08 0.55 -0.22 -0.07 -0.00 0.00 0.00 177.93 178.11 3e7n h LEU 88 N 0.73 0.00 -0.42 0.26 3.38 -0.45 -0.29 115.31 118.53 3e7n h LEU 88 Ca 0.19 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.09 3e7n h LEU 88 Cb 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3e7n h LEU 88 CO -0.03 0.22 -0.00 -0.08 0.09 0.00 0.00 178.44 178.64 3e7n h GLU 89 N 0.00 0.74 -0.09 1.13 4.81 -0.14 -2.08 114.58 118.94 3e7n h GLU 89 Ca -0.00 -0.24 -0.17 0.00 -0.13 0.00 0.00 59.36 58.82 3e7n h GLU 89 Cb 0.41 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 3e7n h GLU 89 CO 0.03 0.82 -0.69 1.96 -0.73 0.00 0.00 179.01 180.40 3e7n h GLN 90 N 0.57 0.39 -0.11 1.92 4.20 -0.94 -2.81 115.11 118.33 3e7n h GLN 90 Ca 0.12 -0.30 -0.01 0.00 0.06 0.00 0.00 58.65 58.52 3e7n h GLN 90 Cb 0.49 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 3e7n h GLN 90 CO 0.02 0.93 0.05 1.25 -0.67 0.00 0.00 178.83 180.41 3e7n h LEU 91 N 0.27 0.15 -1.18 1.46 5.85 -1.03 -1.74 115.31 119.10 3e7n h LEU 91 Ca -0.02 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 3e7n h LEU 91 Cb 1.25 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.20 3e7n h LEU 91 CO 0.12 0.26 0.38 0.06 -0.34 0.00 0.00 178.44 178.92 3e7n h GLN 92 N 0.04 0.95 0.12 1.25 3.07 -1.37 0.17 115.11 119.34 3e7n h GLN 92 Ca 0.04 -0.10 -0.01 0.00 0.09 0.00 0.00 58.65 58.68 3e7n h GLN 92 Cb 0.15 -0.19 0.00 0.00 0.08 0.00 0.00 27.48 27.52 3e7n h GLN 92 CO -0.00 0.69 -0.06 1.96 0.09 0.00 0.00 178.83 181.51 3e7n h GLN 93 N 0.96 -0.16 -0.72 0.06 4.20 -1.28 0.25 115.11 118.41 3e7n h GLN 93 Ca 0.25 0.01 0.12 0.00 0.06 0.00 0.00 58.65 59.08 3e7n h GLN 93 Cb 0.01 0.04 -0.08 0.00 0.30 0.00 0.00 27.48 27.74 3e7n h GLN 93 CO -0.04 -0.01 0.32 1.25 -0.67 0.00 0.00 178.83 179.68 3e7n h HIS 94 N -0.28 0.55 0.00 2.96 2.76 -0.91 -2.52 115.15 117.71 3e7n h HIS 94 Ca -0.02 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.14 3e7n h HIS 94 Cb 0.23 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.04 3e7n h HIS 94 CO -0.03 0.13 -0.23 1.96 -1.30 0.00 0.00 177.93 178.46 3e7n h GLN 95 N 0.50 0.00 -1.05 5.26 4.20 -0.36 -3.47 115.11 120.19 3e7n h GLN 95 Ca 0.38 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.96 3e7n h GLN 95 Cb 0.50 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.28 3e7n h GLN 95 CO -0.34 0.23 -0.16 0.41 -0.67 0.00 0.00 178.83 178.30 3e7n n GLY 96 N 0.57 0.16 0.00 3.46 0.00 0.80 -4.97 105.19 105.20 3e7n n GLY 96 Ca 0.01 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 0.74 0.47 -3.87 1.61 6.94 -0.69 -4.98 115.26 115.48 3e7n n ASN 97 Ca -0.07 -0.91 -0.28 0.00 -0.02 0.00 0.00 54.58 53.31 3e7n n ASN 97 Cb 0.55 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 -1.65 1.00 -0.33 5.53 -1.32 -1.26 -4.40 115.64 113.19 3e7n s THR 98 Ca 0.00 -0.54 -0.25 0.00 -1.21 0.00 0.00 61.69 59.69 3e7n s THR 98 Cb 0.00 -1.18 0.01 0.00 -1.51 0.00 0.00 72.50 69.81 3e7n s THR 98 CO 0.00 0.13 0.89 -0.63 -2.21 0.00 0.00 174.62 172.80 3e7n s ILE 99 N 1.68 4.66 0.05 5.08 1.01 -1.26 -4.87 121.20 127.56 3e7n s ILE 99 Ca 0.01 1.29 -0.30 0.00 0.00 0.00 0.00 60.65 61.65 3e7n s ILE 99 Cb -0.15 -4.27 -0.04 0.00 0.01 0.00 0.00 42.46 38.01 3e7n s ILE 99 CO -0.08 -0.40 1.05 -0.75 0.00 0.00 0.00 174.94 174.76 3e7n s LYS 100 N 3.27 4.55 -0.12 2.79 2.20 -0.93 -4.86 119.74 126.65 3e7n s LYS 100 Ca 0.37 1.54 0.00 0.00 -0.36 0.00 0.00 55.97 57.52 3e7n s LYS 100 Cb -0.13 -3.40 -0.02 0.00 -1.51 0.00 0.00 37.83 32.77 3e7n s LYS 100 CO 0.15 -0.06 -0.11 0.42 -0.36 0.00 0.00 175.35 175.39 3e7n s ILE 101 N 0.77 3.23 0.15 5.43 1.09 -1.26 -0.26 121.20 130.34 3e7n s ILE 101 Ca 0.53 -0.61 -0.03 0.00 -1.10 0.00 0.00 60.65 59.43 3e7n s ILE 101 Cb -0.24 -2.35 -0.03 0.00 -1.06 0.00 0.00 42.46 38.78 3e7n s ILE 101 CO 0.29 0.54 0.13 -0.94 -0.10 0.00 0.00 174.94 174.86 3e7n s SER 102 N 0.08 0.22 -0.01 3.58 1.04 -0.75 -4.98 113.70 112.86 3e7n s SER 102 Ca -0.04 -1.14 0.04 0.00 0.48 0.00 0.00 55.95 55.29 3e7n s SER 102 Cb -0.14 0.35 -0.01 0.00 0.10 0.00 0.00 66.02 66.31 3e7n s SER 102 CO 0.04 -0.79 -0.14 -0.31 0.98 0.00 0.00 173.24 173.02 3e7n s TYR 103 N -4.04 1.28 0.29 5.02 2.02 -1.26 -1.21 117.35 119.45 3e7n s TYR 103 Ca 0.24 -0.24 0.02 0.00 -0.37 0.00 0.00 57.07 56.72 3e7n s TYR 103 Cb 0.06 -0.82 -0.04 0.00 -0.40 0.00 0.00 41.96 40.76 3e7n s TYR 103 CO 0.03 -0.02 0.13 0.95 -1.57 0.00 0.00 175.55 175.06 3e7n s THR 104 N -0.33 0.46 0.69 -0.71 -4.23 -0.62 -4.89 115.64 106.02 3e7n s THR 104 Ca 0.05 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.41 3e7n s THR 104 Cb -0.06 -2.56 0.02 0.00 1.34 0.00 0.00 72.50 71.24 3e7n s THR 104 CO -0.01 0.00 1.16 0.42 -0.54 0.00 0.00 174.62 175.65 3e7n s THR 105 N -3.64 2.77 0.32 3.99 -4.23 -1.26 -0.08 115.64 113.51 3e7n s THR 105 Ca 0.36 0.37 0.00 0.00 -1.18 0.00 0.00 61.69 61.24 3e7n s THR 105 Cb 0.06 -2.91 0.21 0.00 1.34 0.00 0.00 72.50 71.20 3e7n s THR 105 CO 0.16 -0.21 1.92 -0.74 -0.54 0.00 0.00 174.62 175.21 3e7n h HIS 106 N -0.11 0.83 -0.58 3.99 2.76 -1.92 0.11 115.15 120.23 3e7n h HIS 106 Ca -0.47 -0.03 0.05 0.00 -2.20 0.00 0.00 60.37 57.72 3e7n h HIS 106 Cb 1.27 -0.26 -0.05 0.00 1.55 0.00 0.00 27.41 29.92 3e7n h HIS 106 CO 0.51 0.61 0.30 0.93 -1.30 0.00 0.00 177.93 178.98 3e7n h GLU 107 N 0.84 0.55 -0.11 5.26 4.39 -2.00 -0.66 114.58 122.86 3e7n h GLU 107 Ca 0.21 -0.03 -0.17 0.00 0.34 0.00 0.00 59.36 59.71 3e7n h GLU 107 Cb 0.09 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 3e7n h GLU 107 CO -0.03 0.37 -0.65 0.37 -1.16 0.00 0.00 179.01 177.90 3e7n h GLN 108 N 0.57 0.42 -0.26 2.33 5.75 -1.70 -2.77 115.11 119.45 3e7n h GLN 108 Ca 0.26 -0.31 0.05 0.00 -0.15 0.00 0.00 58.65 58.50 3e7n h GLN 108 Cb 0.16 0.05 -0.05 0.00 1.07 0.00 0.00 27.48 28.72 3e7n h GLN 108 CO -0.17 0.93 -0.03 0.35 -2.65 0.00 0.00 178.83 177.25 3e7n h PHE 109 N 0.30 -0.08 -0.72 3.99 3.57 -0.26 -1.30 116.94 122.44 3e7n h PHE 109 Ca -0.02 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.58 3e7n h PHE 109 Cb 1.21 0.07 -0.06 0.00 2.79 0.00 0.00 35.95 39.96 3e7n h PHE 109 CO 0.04 -0.08 0.39 0.87 -2.23 0.00 0.00 178.31 177.30 3e7n h LYS 110 N 0.04 0.67 -0.67 1.11 1.57 -1.03 -1.51 116.57 116.74 3e7n h LYS 110 Ca 0.12 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 3e7n h LYS 110 Cb 0.18 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 3e7n h LYS 110 CO -0.24 0.44 0.40 0.87 -0.57 0.00 0.00 179.45 180.35 3e7n h LYS 111 N 0.69 0.92 -0.38 3.15 1.57 -1.15 -2.29 116.57 119.09 3e7n h LYS 111 Ca 0.34 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 59.00 3e7n h LYS 111 Cb 0.27 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 3e7n h LYS 111 CO -0.22 0.67 0.14 -0.07 -0.57 0.00 0.00 179.45 179.40 3e7n h LEU 112 N 0.92 0.48 -2.52 2.94 3.38 -0.60 -2.30 115.31 117.60 3e7n h LEU 112 Ca 0.24 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 3e7n h LEU 112 Cb -0.01 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 3e7n h LEU 112 CO -0.04 0.44 -0.02 0.71 0.09 0.00 0.00 178.44 179.62 3e7n h THR 113 N 0.53 0.26 0.00 0.22 1.35 -0.69 -0.13 112.91 114.45 3e7n h THR 113 Ca 0.13 -0.13 -0.01 0.00 -0.55 0.00 0.00 66.41 65.85 3e7n h THR 113 Cb 0.12 1.10 -0.00 0.00 -1.73 0.00 0.00 68.15 67.64 3e7n h THR 113 CO -0.01 0.02 -0.06 0.00 -0.25 0.00 0.00 175.52 175.22 3e7n h ALA 114 N 1.98 1.32 -0.14 6.62 0.00 -1.40 -2.66 119.26 124.98 3e7n h ALA 114 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3e7n h ALA 114 Cb 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3e7n h ALA 114 CO 0.00 0.07 0.00 -0.25 0.00 0.00 0.00 179.25 179.07 3e7n n ASP 115 N -3.62 2.67 -4.89 0.00 8.00 -0.06 -4.59 116.55 114.06 3e7n n ASP 115 Ca -0.02 -1.87 -0.29 0.00 0.71 0.00 0.00 54.79 53.32 3e7n n ASP 115 Cb 0.16 -0.08 0.04 0.00 -0.02 0.00 0.00 41.12 41.23 3e7n n ASP 115 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3e7n s SER 116 N -1.81 5.47 0.19 -2.24 1.04 -1.01 -4.73 113.70 110.61 3e7n s SER 116 Ca 0.33 1.01 0.09 0.00 0.48 0.00 0.00 55.95 57.86 3e7n s SER 116 Cb 0.21 -1.86 0.03 0.00 0.10 0.00 0.00 66.02 64.50 3e7n s SER 116 CO 0.31 -1.27 1.42 1.56 0.98 0.00 0.00 173.24 176.24 3e7n h GLN 117 N -0.53 0.00 -2.31 4.02 1.08 -1.35 -3.44 115.11 112.58 3e7n h GLN 117 Ca -0.45 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 56.78 3e7n h GLN 117 Cb 1.26 0.00 -0.16 0.00 -0.05 0.00 0.00 27.48 28.52 3e7n h GLN 117 CO 0.63 0.83 0.36 0.00 -0.95 0.00 0.00 178.83 179.70 3e7n s ALA 118 N -3.09 -1.77 -0.17 3.87 0.00 -1.26 -3.41 121.76 115.93 3e7n s ALA 118 Ca 0.00 1.02 -0.01 0.00 0.00 0.00 0.00 51.96 52.97 3e7n s ALA 118 Cb 0.11 0.28 -0.01 0.00 0.00 0.00 0.00 23.12 23.50 3e7n s ALA 118 CO 0.80 -0.58 -0.11 0.08 0.00 0.00 0.00 175.76 175.95 3e7n s VAL 119 N -2.57 3.05 -0.37 0.00 1.01 -0.09 -1.41 120.40 120.02 3e7n s VAL 119 Ca -0.01 -0.63 -0.14 0.00 0.00 0.00 0.00 61.98 61.20 3e7n s VAL 119 Cb -0.01 -2.33 -0.00 0.00 0.00 0.00 0.00 36.38 34.05 3e7n s VAL 119 CO -0.04 0.49 0.28 -0.63 0.00 0.00 0.00 175.10 175.20 3e7n s ILE 120 N 0.89 5.26 -0.24 2.22 1.01 0.14 -1.16 121.20 129.31 3e7n s ILE 120 Ca -0.03 -0.37 -0.19 0.00 0.00 0.00 0.00 60.65 60.06 3e7n s ILE 120 Cb -0.15 -3.82 -0.02 0.00 0.01 0.00 0.00 42.46 38.47 3e7n s ILE 120 CO -0.00 -0.15 0.56 -0.60 0.00 0.00 0.00 174.94 174.75 3e7n s ARG 121 N 1.75 4.11 0.66 2.79 3.52 -0.09 -1.28 118.95 130.41 3e7n s ARG 121 Ca 0.06 0.43 0.00 0.00 -0.13 0.00 0.00 55.73 56.10 3e7n s ARG 121 Cb -0.18 -3.63 0.09 0.00 -1.56 0.00 0.00 34.95 29.67 3e7n s ARG 121 CO 0.11 -0.33 0.91 -1.54 -0.81 0.00 0.00 175.30 173.63 3e7n s SER 122 N 1.43 4.71 0.00 -2.12 1.04 -0.19 -1.68 113.70 116.90 3e7n s SER 122 Ca 0.24 -0.25 0.14 0.00 0.48 0.00 0.00 55.95 56.55 3e7n s SER 122 Cb -0.16 -0.31 0.49 0.00 0.10 0.00 0.00 66.02 66.15 3e7n s SER 122 CO 0.09 -1.59 1.37 0.61 0.98 0.00 0.00 173.24 174.70 3e7n n GLY 123 N -2.64 0.23 3.75 7.32 0.00 0.70 -3.40 105.19 111.15 3e7n n GLY 123 Ca 0.13 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 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 4.13 0.00 1.61 2.56 -1.24 -0.09 118.70 123.97 3e7n s GLU 124 Ca 0.24 2.55 0.11 0.00 0.00 0.00 0.00 54.97 57.88 3e7n s GLU 124 Cb 0.13 -3.04 -0.06 0.00 2.00 0.00 0.00 34.13 33.16 3e7n s GLU 124 CO 0.18 -0.63 0.56 0.00 -0.56 0.00 0.00 175.26 174.81 3e7n s SER 126 N -1.70 3.86 0.34 0.00 1.04 -1.26 -4.99 113.70 110.99 3e7n s SER 126 Ca 0.07 1.67 -0.26 0.00 0.48 0.00 0.00 55.95 57.91 3e7n s SER 126 Cb 0.08 -2.35 -0.09 0.00 0.10 0.00 0.00 66.02 63.76 3e7n s SER 126 CO 0.35 -2.42 1.01 -2.84 0.98 0.00 0.00 173.24 170.32 3e7n s PRO 127 N -4.90 4.47 -1.39 4.02 0.02 -1.26 -4.12 135.00 131.84 3e7n s PRO 127 Ca 0.63 1.49 -0.03 0.00 0.02 0.00 0.00 61.00 63.10 3e7n s PRO 127 Cb -0.18 -2.82 0.02 0.00 0.02 0.00 0.00 34.50 31.54 3e7n s PRO 127 CO 0.57 0.14 0.25 0.66 -0.33 0.00 0.00 177.00 178.29 3e7n n TYR 128 N 0.52 -1.55 -2.11 6.54 4.01 -1.26 -4.54 117.16 118.78 3e7n n TYR 128 Ca 0.02 0.23 -0.42 0.00 -0.16 0.00 0.00 57.90 57.57 3e7n n TYR 128 Cb 0.49 -3.50 0.00 0.00 -0.31 0.00 0.00 39.34 36.02 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 5.39 -3.47 -0.72 0.00 -1.26 -4.74 120.51 112.93 3e7n n ALA 129 Ca -0.13 -4.14 -0.14 0.00 0.00 0.00 0.00 53.44 49.03 3e7n n ALA 129 Cb 0.62 -3.21 -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 1.86 0.03 -0.01 0.00 0.02 -1.26 -1.92 114.94 113.66 3e7n s ASN 130 Ca 0.43 0.06 0.01 0.00 -1.02 0.00 0.00 52.86 52.34 3e7n s ASN 130 Cb 0.11 -0.02 0.00 0.00 0.02 0.00 0.00 41.25 41.37 3e7n s ASN 130 CO -0.03 -0.09 -0.05 0.54 0.02 0.00 0.00 177.10 177.49 3e7n s VAL 131 N 0.72 0.41 -0.29 1.60 0.11 -0.18 -4.48 120.40 118.30 3e7n s VAL 131 Ca -0.06 -0.18 -0.12 0.00 -2.93 0.00 0.00 61.98 58.69 3e7n s VAL 131 Cb -0.09 -0.38 -0.04 0.00 -1.53 0.00 0.00 36.38 34.34 3e7n s VAL 131 CO -0.02 0.14 0.22 -0.63 -3.33 0.00 0.00 175.10 171.48 3e7n s ILE 132 N 0.16 5.29 -0.18 7.04 1.01 -0.19 -1.60 121.20 132.72 3e7n s ILE 132 Ca -0.01 0.18 -0.08 0.00 0.00 0.00 0.00 60.65 60.73 3e7n s ILE 132 Cb -0.05 -3.58 -0.04 0.00 0.01 0.00 0.00 42.46 38.79 3e7n s ILE 132 CO -0.00 0.20 0.10 -0.76 0.00 0.00 0.00 174.94 174.48 3e7n s LEU 133 N 1.80 4.07 -0.17 2.97 1.43 -0.02 -0.44 118.68 128.33 3e7n s LEU 133 Ca 0.08 0.21 -0.06 0.00 -1.03 0.00 0.00 54.13 53.33 3e7n s LEU 133 Cb -0.16 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 43.99 3e7n s LEU 133 CO 0.11 0.22 0.03 0.00 0.23 0.00 0.00 176.35 176.94 3e7n s ALA 135 N 0.33 3.24 -0.25 0.00 0.00 -0.33 -0.38 121.76 124.37 3e7n s ALA 135 Ca 0.01 0.62 -0.32 0.00 0.00 0.00 0.00 51.96 52.27 3e7n s ALA 135 Cb -0.13 -3.33 0.17 0.00 0.00 0.00 0.00 23.12 19.83 3e7n s ALA 135 CO 0.01 -0.18 1.29 0.20 0.00 0.00 0.00 175.76 177.08 3e7n s GLY 136 N 0.53 -0.07 0.09 0.00 0.00 -0.46 -0.76 107.32 106.66 3e7n s GLY 136 Ca 0.51 2.38 0.05 0.00 0.00 0.00 0.00 44.72 47.65 3e7n s GLY 136 CO 0.30 0.93 -0.12 -1.34 0.00 0.00 0.00 173.10 172.86 3e7n s VAL 137 N -1.43 1.06 0.06 1.40 -7.23 -1.26 -3.72 120.40 109.29 3e7n s VAL 137 Ca 0.08 -1.55 -0.31 0.00 -1.81 0.00 0.00 61.98 58.39 3e7n s VAL 137 Cb -0.01 -1.29 -0.06 0.00 0.56 0.00 0.00 36.38 35.58 3e7n s VAL 137 CO -0.05 -0.43 1.24 0.28 -0.31 0.00 0.00 175.10 175.82 3e7n s THR 138 N -2.03 3.91 0.00 5.32 -1.32 -1.26 -5.10 115.64 115.16 3e7n s THR 138 Ca 0.04 1.36 0.00 0.00 -1.21 0.00 0.00 61.69 61.88 3e7n s THR 138 Cb -0.05 -3.87 0.00 0.00 -1.51 0.00 0.00 72.50 67.06 3e7n s THR 138 CO 0.01 0.10 0.00 2.22 -2.21 0.00 0.00 174.62 174.74