#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 -0.01 5.20 0.00 -1.26 -5.17 120.51 119.26 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 -2.15 0.00 4.81 -1.26 -5.01 118.16 114.55 3e7n n LYS 2 Ca 0.00 0.00 -0.38 0.00 -0.87 0.00 0.00 58.31 57.06 3e7n n LYS 2 Cb 0.00 -0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 3e7n n LYS 2 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 3e7n s LYS 3 N -0.00 3.66 0.00 1.64 1.02 -1.26 -4.82 119.74 119.97 3e7n s LYS 3 Ca 0.00 1.90 0.00 0.00 0.02 0.00 0.00 55.97 57.89 3e7n s LYS 3 Cb 0.00 -2.41 0.00 0.00 -0.52 0.00 0.00 37.83 34.90 3e7n s LYS 3 CO 0.00 -0.67 0.00 0.41 -0.92 0.00 0.00 175.35 174.17 3e7n n GLY 4 N 0.53 -1.85 0.00 -3.33 0.00 -1.26 -4.81 105.19 94.46 3e7n n GLY 4 Ca 0.07 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 44.08 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 -2.96 2.61 -2.24 -1.26 -4.89 114.28 105.54 3e7n n THR 5 Ca 0.00 -0.36 -0.44 0.00 -2.27 0.00 0.00 64.05 60.98 3e7n n THR 5 Cb 0.00 1.08 -0.03 0.00 -2.10 0.00 0.00 70.33 69.28 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 -0.51 4.66 -0.11 2.28 1.01 -1.26 -4.87 120.40 121.61 3e7n s VAL 6 Ca 0.00 -1.09 0.16 0.00 0.00 0.00 0.00 61.98 61.05 3e7n s VAL 6 Cb 0.00 -4.67 -0.20 0.00 0.00 0.00 0.00 36.38 31.51 3e7n s VAL 6 CO 0.00 -1.38 0.59 0.18 0.00 0.00 0.00 175.10 174.49 3e7n n LEU 7 N 6.76 0.62 -4.75 3.92 4.77 -1.26 -4.86 117.00 122.20 3e7n n LEU 7 Ca 0.07 0.28 -0.41 0.00 -0.03 0.00 0.00 56.01 55.92 3e7n n LEU 7 Cb 0.46 0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 41.72 3e7n n LEU 7 CO 0.56 0.28 1.12 0.21 -1.33 0.00 0.00 177.39 178.23 3e7n s ASN 8 N -5.72 6.60 0.16 -1.43 3.84 -1.26 -4.92 114.94 112.20 3e7n s ASN 8 Ca -0.05 2.73 -0.09 0.00 0.21 0.00 0.00 52.86 55.66 3e7n s ASN 8 Cb 0.08 -2.63 0.01 0.00 -0.55 0.00 0.00 41.25 38.16 3e7n s ASN 8 CO 0.83 -0.74 1.50 0.77 -2.79 0.00 0.00 177.10 176.67 3e7n h SER 9 N 4.86 0.92 -0.23 -4.21 4.64 -1.99 -1.83 113.55 115.70 3e7n h SER 9 Ca -0.46 -0.43 -0.15 0.00 -0.47 0.00 0.00 61.79 60.28 3e7n h SER 9 Cb 1.22 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 3e7n h SER 9 CO 0.77 1.20 -0.44 -0.33 -0.87 0.00 0.00 176.83 177.17 3e7n h GLU 10 N 0.70 0.71 -0.58 4.77 4.39 -1.99 -1.41 114.58 121.16 3e7n h GLU 10 Ca 0.05 -0.45 -0.04 0.00 0.34 0.00 0.00 59.36 59.26 3e7n h GLU 10 Cb 0.98 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.66 3e7n h GLU 10 CO 0.09 1.07 0.20 0.82 -1.16 0.00 0.00 179.01 180.03 3e7n h ILE 11 N 0.43 1.24 -0.49 3.13 2.04 -1.96 -0.65 117.51 121.24 3e7n h ILE 11 Ca 0.01 -0.78 0.01 0.00 1.00 0.00 0.00 64.86 65.10 3e7n h ILE 11 Cb 1.04 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 3e7n h ILE 11 CO 0.10 0.30 0.31 0.28 0.00 0.00 0.00 178.15 179.13 3e7n h SER 12 N 0.81 0.52 -0.26 1.72 0.02 -1.30 -1.17 113.55 113.89 3e7n h SER 12 Ca 0.19 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 3e7n h SER 12 Cb 0.26 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 3e7n h SER 12 CO -0.01 0.37 0.12 -1.28 -1.14 0.00 0.00 176.83 174.90 3e7n h SER 13 N 0.63 0.35 -0.18 3.07 0.87 -0.83 -2.09 113.55 115.37 3e7n h SER 13 Ca 0.19 -0.13 -0.16 0.00 -1.23 0.00 0.00 61.79 60.46 3e7n h SER 13 Cb -0.03 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 3e7n h SER 13 CO -0.06 0.38 -0.45 1.62 -0.53 0.00 0.00 176.83 177.79 3e7n h VAL 14 N 0.29 1.29 -0.48 2.23 3.04 -0.90 -2.85 116.25 118.87 3e7n h VAL 14 Ca 0.09 -1.64 -0.05 0.00 -1.01 0.00 0.00 66.70 64.09 3e7n h VAL 14 Cb 0.13 1.55 -0.02 0.00 -2.01 0.00 0.00 31.29 30.93 3e7n h VAL 14 CO -0.01 0.53 0.10 0.40 -1.01 0.00 0.00 177.57 177.57 3e7n h ILE 15 N 0.59 1.22 0.00 3.17 2.04 -1.13 -1.05 117.51 122.35 3e7n h ILE 15 Ca 0.04 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.10 3e7n h ILE 15 Cb 1.01 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 3e7n h ILE 15 CO 0.10 0.29 0.00 -1.54 0.00 0.00 0.00 178.15 177.00 3e7n n SER 16 N -4.28 0.43 -0.43 1.72 3.41 -0.79 -2.60 113.62 111.07 3e7n n SER 16 Ca 0.03 0.59 0.11 0.00 -0.26 0.00 0.00 58.87 59.34 3e7n n SER 16 Cb 0.23 -0.69 0.07 0.00 -0.26 0.00 0.00 64.21 63.57 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 -1.95 1.09 -2.47 4.33 1.74 -0.42 -4.97 116.66 114.02 3e7n n ARG 17 Ca 0.03 -0.86 -0.40 0.00 -0.77 0.00 0.00 57.85 55.85 3e7n n ARG 17 Cb 0.25 -1.48 -0.04 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 -2.50 4.55 0.46 0.55 1.43 -1.07 -5.06 118.68 117.03 3e7n s LEU 18 Ca 0.19 2.28 0.05 0.00 -1.03 0.00 0.00 54.13 55.62 3e7n s LEU 18 Cb 0.18 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.73 3e7n s LEU 18 CO 0.57 -0.16 0.06 -0.83 0.23 0.00 0.00 176.35 176.22 3e7n s GLY 19 N -0.88 2.68 0.15 -3.19 0.00 -1.26 -5.05 107.32 99.77 3e7n s GLY 19 Ca 0.45 -1.46 -0.34 0.00 0.00 0.00 0.00 44.72 43.37 3e7n s GLY 19 CO 0.41 -2.10 1.60 1.57 0.00 0.00 0.00 173.10 174.58 3e7n n HIS 20 N -1.17 2.30 -0.07 1.90 -0.00 -1.26 -1.57 115.22 115.34 3e7n n HIS 20 Ca -0.10 0.24 0.00 0.00 0.46 0.00 0.00 57.72 58.32 3e7n n HIS 20 Cb 0.66 -2.56 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 3.54 0.00 -1.83 3.57 -2.24 -0.19 -4.99 114.28 112.14 3e7n n THR 21 Ca 0.17 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.58 3e7n n THR 21 Cb 0.29 -0.00 0.05 0.00 -2.10 0.00 0.00 70.33 68.57 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 5.00 0.19 3.42 1.01 -0.61 -4.66 116.67 117.21 3e7n s ASP 22 Ca 0.00 2.61 0.11 0.00 0.71 0.00 0.00 52.55 55.98 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 -1.74 -0.20 0.42 0.21 0.00 0.00 175.17 173.86 3e7n s THR 23 N -1.41 2.58 -0.03 -1.27 -4.23 -1.26 -1.10 115.64 108.93 3e7n s THR 23 Ca 0.77 -1.93 0.01 0.00 -1.18 0.00 0.00 61.69 59.37 3e7n s THR 23 Cb -0.37 -2.25 0.02 0.00 1.34 0.00 0.00 72.50 71.24 3e7n s THR 23 CO 0.41 -0.11 -0.04 -0.22 -0.54 0.00 0.00 174.62 174.11 3e7n s LEU 24 N -2.71 1.49 -0.12 4.79 2.96 -0.36 -0.94 118.68 123.79 3e7n s LEU 24 Ca 0.22 -0.10 -0.03 0.00 -0.22 0.00 0.00 54.13 53.99 3e7n s LEU 24 Cb -0.08 -0.37 -0.03 0.00 0.50 0.00 0.00 46.19 46.21 3e7n s LEU 24 CO 0.11 -0.03 -0.00 -0.69 -1.32 0.00 0.00 176.35 174.43 3e7n s VAL 25 N 0.63 4.27 -0.19 1.68 1.01 -0.53 -0.63 120.40 126.63 3e7n s VAL 25 Ca -0.08 -0.24 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 3e7n s VAL 25 Cb -0.11 -2.84 -0.01 0.00 0.00 0.00 0.00 36.38 33.42 3e7n s VAL 25 CO -0.00 0.55 -0.07 -0.69 0.00 0.00 0.00 175.10 174.89 3e7n s VAL 26 N -0.27 3.33 0.31 2.92 1.01 -0.50 0.30 120.40 127.49 3e7n s VAL 26 Ca 0.06 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 61.56 3e7n s VAL 26 Cb -0.12 -2.48 -0.06 0.00 0.00 0.00 0.00 36.38 33.71 3e7n s VAL 26 CO 0.02 0.46 0.03 0.00 0.00 0.00 0.00 175.10 175.61 3e7n s ASP 28 N -3.46 3.87 0.51 0.00 1.47 -0.64 -1.06 116.67 117.35 3e7n s ASP 28 Ca 0.34 -0.31 0.34 0.00 1.18 0.00 0.00 52.55 54.10 3e7n s ASP 28 Cb 0.07 0.10 1.58 0.00 -0.34 0.00 0.00 42.92 44.34 3e7n s ASP 28 CO 0.14 -2.20 2.01 0.00 0.68 0.00 0.00 175.17 175.80 3e7n h ALA 29 N -0.89 1.00 -0.01 2.11 0.00 -1.07 -3.12 119.26 117.28 3e7n h ALA 29 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3e7n h ALA 29 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3e7n h ALA 29 CO 0.36 0.00 -0.12 0.41 0.00 0.00 0.00 179.25 179.91 3e7n n GLY 30 N -0.44 -0.08 3.74 0.00 0.00 -1.26 -5.00 105.19 102.14 3e7n n GLY 30 Ca -0.00 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.45 4.44 0.46 0.99 2.96 -1.18 -5.00 118.68 119.91 3e7n s LEU 31 Ca 0.14 2.27 -0.22 0.00 -0.22 0.00 0.00 54.13 56.10 3e7n s LEU 31 Cb 0.11 -3.61 -0.08 0.00 0.50 0.00 0.00 46.19 43.11 3e7n s LEU 31 CO 0.24 -0.41 1.08 -2.16 -1.32 0.00 0.00 176.35 173.78 3e7n s PRO 32 N -0.18 3.83 -0.21 0.98 0.04 -1.26 -4.99 135.00 133.22 3e7n s PRO 32 Ca 0.54 1.52 -0.00 0.00 0.04 0.00 0.00 61.00 63.10 3e7n s PRO 32 Cb -0.33 -2.27 0.02 0.00 0.04 0.00 0.00 34.50 31.95 3e7n s PRO 32 CO 0.37 -0.43 -0.14 0.42 0.04 0.00 0.00 177.00 177.26 3e7n s ILE 33 N -1.77 2.44 0.60 0.56 1.01 -1.26 -5.10 121.20 117.68 3e7n s ILE 33 Ca 0.65 -0.97 -0.18 0.00 0.00 0.00 0.00 60.65 60.14 3e7n s ILE 33 Cb -0.21 -2.13 -0.03 0.00 0.01 0.00 0.00 42.46 40.09 3e7n s ILE 33 CO 0.26 0.39 1.19 -2.84 0.00 0.00 0.00 174.94 173.94 3e7n s PRO 34 N 1.30 2.95 0.00 2.79 0.02 -1.26 -4.92 135.00 135.88 3e7n s PRO 34 Ca 0.03 1.77 0.30 0.00 0.02 0.00 0.00 61.00 63.11 3e7n s PRO 34 Cb -0.15 -1.93 1.50 0.00 0.02 0.00 0.00 34.50 33.94 3e7n s PRO 34 CO -0.09 -1.21 2.03 0.27 -0.33 0.00 0.00 177.00 177.67 3e7n n ASN 35 N -1.69 0.00 0.00 2.53 0.23 -1.26 -2.71 115.26 112.36 3e7n n ASN 35 Ca 0.13 -0.14 0.10 0.00 -0.53 0.00 0.00 54.58 54.14 3e7n n ASN 35 Cb 0.50 -0.28 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 -1.28 0.00 -4.11 0.53 3.41 -1.26 -4.81 113.62 106.10 3e7n n SER 36 Ca 0.14 -1.22 -0.16 0.00 -0.26 0.00 0.00 58.87 57.37 3e7n n SER 36 Cb 0.23 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.06 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 0.30 6.66 -1.32 -1.10 -4.91 115.64 114.08 3e7n s THR 37 Ca 0.29 -1.09 -0.29 0.00 -1.21 0.00 0.00 61.69 59.39 3e7n s THR 37 Cb 0.13 -0.81 -0.10 0.00 -1.51 0.00 0.00 72.50 70.22 3e7n s THR 37 CO 0.23 -0.24 1.13 0.00 -2.21 0.00 0.00 174.62 173.53 3e7n s ALA 38 N -1.18 3.40 -0.26 11.08 0.00 -1.23 -4.85 121.76 128.71 3e7n s ALA 38 Ca -0.05 0.94 -0.06 0.00 0.00 0.00 0.00 51.96 52.80 3e7n s ALA 38 Cb -0.09 -3.35 -0.01 0.00 0.00 0.00 0.00 23.12 19.68 3e7n s ALA 38 CO 0.01 -0.24 0.04 0.50 0.00 0.00 0.00 175.76 176.07 3e7n s ARG 39 N -1.57 3.31 -0.37 0.00 3.52 -1.26 -0.90 118.95 121.68 3e7n s ARG 39 Ca 0.46 -0.70 -0.03 0.00 -0.13 0.00 0.00 55.73 55.33 3e7n s ARG 39 Cb -0.33 -3.24 0.08 0.00 -1.56 0.00 0.00 34.95 29.90 3e7n s ARG 39 CO 0.42 -0.31 0.13 0.42 -0.81 0.00 0.00 175.30 175.15 3e7n s ILE 40 N 1.52 3.30 0.23 4.11 1.01 -0.21 -4.97 121.20 126.18 3e7n s ILE 40 Ca 0.04 -1.70 -0.01 0.00 0.00 0.00 0.00 60.65 58.99 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 0.01 -0.44 0.42 -0.62 0.00 0.00 0.00 174.94 174.32 3e7n s ASP 41 N 1.61 6.38 0.18 3.58 -1.08 -1.26 -0.68 116.67 125.40 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 -0.21 -2.02 0.00 0.00 -1.46 0.00 0.00 42.92 39.23 3e7n s ASP 41 CO -0.02 -0.08 0.00 0.00 0.52 0.00 0.00 175.17 175.59 3e7n n ALA 43 N -0.83 -2.13 -0.11 3.66 0.00 -0.53 -4.95 120.51 115.62 3e7n n ALA 43 Ca -0.05 0.44 -0.22 0.00 0.00 0.00 0.00 53.44 53.61 3e7n n ALA 43 Cb 0.54 -1.37 -0.09 0.00 0.00 0.00 0.00 19.45 18.54 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 1.73 1.90 -3.83 0.00 7.94 -0.44 -4.94 117.00 119.37 3e7n n LEU 44 Ca 0.00 0.41 -0.07 0.00 -1.11 0.00 0.00 56.01 55.23 3e7n n LEU 44 Cb 0.00 -0.88 0.01 0.00 0.53 0.00 0.00 43.42 43.08 3e7n n LEU 44 CO 0.00 0.25 0.56 0.28 -1.11 0.00 0.00 177.39 177.36 3e7n s THR 45 N -2.46 0.00 -0.11 1.96 -1.32 -1.00 -5.04 115.64 107.67 3e7n s THR 45 Ca -0.31 -0.94 -0.37 0.00 -1.21 0.00 0.00 61.69 58.86 3e7n s THR 45 Cb 0.09 -2.62 -0.15 0.00 -1.51 0.00 0.00 72.50 68.31 3e7n s THR 45 CO 0.49 0.00 1.68 0.00 -2.21 0.00 0.00 174.62 174.59 3e7n n GLN 46 N -0.53 1.54 -0.95 7.08 3.00 -1.26 -0.90 117.38 125.36 3e7n n GLN 46 Ca -0.07 0.56 0.00 0.00 -0.01 0.00 0.00 57.00 57.48 3e7n n GLN 46 Cb 0.60 -2.29 0.00 0.00 0.00 0.00 0.00 30.24 28.55 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 3.83 0.46 2.78 1.08 0.00 0.14 -4.98 105.19 108.50 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 -2.13 0.64 0.57 1.61 1.01 -0.07 -3.24 120.40 118.78 3e7n s VAL 48 Ca 0.00 -0.46 -0.08 0.00 0.00 0.00 0.00 61.98 61.43 3e7n s VAL 48 Cb 0.00 -1.01 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 3e7n s VAL 48 CO 0.00 -0.05 0.92 -2.16 0.00 0.00 0.00 175.10 173.81 3e7n s PRO 49 N 1.82 3.47 0.80 2.72 0.04 -1.26 -1.32 135.00 141.27 3e7n s PRO 49 Ca 0.00 0.44 -0.12 0.00 0.04 0.00 0.00 61.00 61.37 3e7n s PRO 49 Cb -0.16 -2.22 0.07 0.00 0.04 0.00 0.00 34.50 32.24 3e7n s PRO 49 CO -0.07 -0.46 1.11 -1.54 0.04 0.00 0.00 177.00 176.08 3e7n s SER 50 N -4.17 4.52 0.00 6.66 1.04 -1.20 -0.77 113.70 119.78 3e7n s SER 50 Ca 0.52 1.20 0.00 0.00 0.48 0.00 0.00 55.95 58.15 3e7n s SER 50 Cb -0.11 -1.92 0.00 0.00 0.10 0.00 0.00 66.02 64.10 3e7n s SER 50 CO 0.49 -1.94 0.00 0.33 0.98 0.00 0.00 173.24 173.10 3e7n n PHE 51 N -3.40 0.00 0.00 5.02 7.35 -1.26 -2.46 117.46 122.71 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 0.57 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.40 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 0.18 0.00 -0.04 -4.13 6.02 -1.26 -1.13 117.38 117.02 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 -0.08 0.00 1.02 0.00 0.00 30.24 31.18 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 1.38 -0.43 5.09 2.07 -1.84 -1.72 116.25 120.81 3e7n h VAL 54 Ca 0.00 -1.58 0.04 0.00 0.82 0.00 0.00 66.70 65.98 3e7n h VAL 54 Cb 0.00 2.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.83 3e7n h VAL 54 CO 0.00 0.47 0.19 0.58 0.02 0.00 0.00 177.57 178.83 3e7n h VAL 55 N -0.02 0.93 0.17 2.57 2.07 -1.41 -0.91 116.25 119.65 3e7n h VAL 55 Ca -0.00 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 3e7n h VAL 55 Cb 0.89 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 3e7n h VAL 55 CO 0.06 0.07 -0.12 -0.78 0.02 0.00 0.00 177.57 176.83 3e7n h ASP 56 N 0.39 -0.30 -0.22 0.57 3.58 -1.80 -0.88 116.42 117.76 3e7n h ASP 56 Ca 0.19 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.65 3e7n h ASP 56 Cb 0.13 0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.26 3e7n h ASP 56 CO -0.16 -0.19 0.09 0.58 -2.88 0.00 0.00 179.24 176.69 3e7n h VAL 57 N -0.29 1.16 -0.68 2.25 2.07 -1.07 -2.51 116.25 117.19 3e7n h VAL 57 Ca -0.01 -0.48 0.08 0.00 0.82 0.00 0.00 66.70 67.11 3e7n h VAL 57 Cb 0.25 1.06 -0.06 0.00 -1.52 0.00 0.00 31.29 31.02 3e7n h VAL 57 CO 0.00 0.16 0.34 0.58 0.02 0.00 0.00 177.57 178.68 3e7n h VAL 58 N 0.22 0.89 0.00 2.57 2.07 -1.03 -1.84 116.25 119.12 3e7n h VAL 58 Ca 0.08 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.39 3e7n h VAL 58 Cb 0.16 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 3e7n h VAL 58 CO -0.01 0.11 0.00 0.35 0.02 0.00 0.00 177.57 178.04 3e7n n THR 59 N -4.85 0.33 0.17 2.57 -2.24 -0.35 -1.86 114.28 108.05 3e7n n THR 59 Ca 0.10 0.08 0.02 0.00 -2.27 0.00 0.00 64.05 61.98 3e7n n THR 59 Cb 0.23 -0.70 0.29 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 -1.20 -0.78 3.08 -0.91 -3.45 114.38 111.12 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 0.27 0.00 -0.33 0.00 0.08 0.00 0.00 29.97 29.99 3e7n h ARG 60 CO 0.00 0.46 0.41 0.39 -1.07 0.00 0.00 179.97 180.16 3e7n n GLU 61 N -3.82 2.97 -3.65 0.04 1.02 -0.78 -5.09 120.64 111.34 3e7n n GLU 61 Ca -0.01 -3.64 -0.23 0.00 -0.02 0.00 0.00 57.16 53.25 3e7n n GLU 61 Cb 0.51 -2.28 -0.17 0.00 -0.02 0.00 0.00 31.44 29.48 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 -0.19 3.49 -1.52 -1.26 -5.05 119.66 111.39 3e7n s GLN 63 Ca 0.58 0.10 -0.06 0.00 -1.95 0.00 0.00 55.36 54.03 3e7n s GLN 63 Cb 0.46 -1.25 -0.03 0.00 -0.22 0.00 0.00 33.01 31.97 3e7n s GLN 63 CO -0.10 -0.51 0.03 0.08 -0.25 0.00 0.00 175.29 174.54 3e7n s VAL 64 N 2.13 4.35 -0.14 1.09 1.01 -1.25 -1.44 120.40 126.15 3e7n s VAL 64 Ca 0.03 -0.19 0.14 0.00 0.00 0.00 0.00 61.98 61.97 3e7n s VAL 64 Cb -0.14 -2.96 -0.21 0.00 0.00 0.00 0.00 36.38 33.07 3e7n s VAL 64 CO -0.06 0.45 0.37 -1.84 0.00 0.00 0.00 175.10 174.01 3e7n n GLU 65 N 3.82 0.81 -3.53 2.72 0.28 0.07 -4.71 120.64 120.10 3e7n n GLU 65 Ca -0.17 -0.11 -0.14 0.00 -0.16 0.00 0.00 57.16 56.59 3e7n n GLU 65 Cb 0.52 -1.31 -0.04 0.00 1.43 0.00 0.00 31.44 32.04 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 -2.87 -1.43 -0.01 -1.84 0.00 -1.20 -2.15 121.76 112.27 3e7n s ALA 66 Ca -0.03 0.60 0.02 0.00 0.00 0.00 0.00 51.96 52.54 3e7n s ALA 66 Cb 0.09 0.52 -0.00 0.00 0.00 0.00 0.00 23.12 23.73 3e7n s ALA 66 CO 0.59 -0.58 -0.05 0.00 0.00 0.00 0.00 175.76 175.72 3e7n s ALA 67 N -2.81 0.45 -0.05 0.00 0.00 0.87 -0.80 121.76 119.42 3e7n s ALA 67 Ca -0.03 -0.21 0.05 0.00 0.00 0.00 0.00 51.96 51.77 3e7n s ALA 67 Cb -0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 23.12 22.96 3e7n s ALA 67 CO -0.05 0.10 -0.21 0.42 0.00 0.00 0.00 175.76 176.02 3e7n s ILE 68 N -0.04 2.44 0.12 0.00 1.01 0.35 -1.76 121.20 123.32 3e7n s ILE 68 Ca 0.01 -0.94 0.04 0.00 0.00 0.00 0.00 60.65 59.76 3e7n s ILE 68 Cb -0.03 -1.91 -0.04 0.00 0.01 0.00 0.00 42.46 40.49 3e7n s ILE 68 CO -0.00 0.58 -0.11 -0.76 0.00 0.00 0.00 174.94 174.65 3e7n s LEU 69 N -0.45 2.47 0.15 2.97 1.43 -0.48 -1.28 118.68 123.50 3e7n s LEU 69 Ca 0.05 -0.91 -0.30 0.00 -1.03 0.00 0.00 54.13 51.94 3e7n s LEU 69 Cb -0.12 -0.35 -0.07 0.00 0.03 0.00 0.00 46.19 45.68 3e7n s LEU 69 CO 0.01 -0.28 1.08 0.00 0.23 0.00 0.00 176.35 177.39 3e7n s ALA 70 N -2.85 3.34 0.51 4.21 0.00 -1.26 -1.50 121.76 124.20 3e7n s ALA 70 Ca 0.11 0.76 0.22 0.00 0.00 0.00 0.00 51.96 53.05 3e7n s ALA 70 Cb -0.00 -3.34 1.30 0.00 0.00 0.00 0.00 23.12 21.07 3e7n s ALA 70 CO 0.01 -0.19 2.00 1.15 0.00 0.00 0.00 175.76 178.73 3e7n h THR 71 N 3.86 0.79 -0.24 0.00 2.02 -1.23 -1.26 112.91 116.85 3e7n h THR 71 Ca -0.44 -0.03 0.07 0.00 0.77 0.00 0.00 66.41 66.78 3e7n h THR 71 Cb 1.21 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 3e7n h THR 71 CO 0.73 0.02 0.24 -0.33 0.37 0.00 0.00 175.52 176.54 3e7n h GLU 72 N 0.10 0.00 -0.20 6.66 3.07 -1.92 -2.34 114.58 119.95 3e7n h GLU 72 Ca 0.24 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.07 3e7n h GLU 72 Cb 0.82 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.72 3e7n h GLU 72 CO -0.02 0.00 0.01 0.97 -1.40 0.00 0.00 179.01 178.56 3e7n h ILE 73 N 0.00 1.13 0.03 3.13 2.10 -1.52 -1.98 117.51 120.40 3e7n h ILE 73 Ca 0.11 -0.48 0.01 0.00 1.08 0.00 0.00 64.86 65.58 3e7n h ILE 73 Cb 0.59 0.97 -0.01 0.00 -1.09 0.00 0.00 36.82 37.28 3e7n h ILE 73 CO -0.00 0.16 -0.05 0.11 -1.08 0.00 0.00 178.15 177.29 3e7n h LYS 74 N 0.29 -0.10 0.00 2.19 1.57 -1.62 -0.96 116.57 117.94 3e7n h LYS 74 Ca 0.07 0.01 -0.23 0.00 -1.87 0.00 0.00 60.65 58.62 3e7n h LYS 74 Cb 0.19 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.48 3e7n h LYS 74 CO 0.00 -0.06 -1.30 1.96 -0.57 0.00 0.00 179.45 179.48 3e7n h GLN 75 N -0.10 0.00 -0.00 3.15 1.08 -1.74 -3.34 115.11 114.16 3e7n h GLN 75 Ca 0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 3e7n h GLN 75 Cb 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 3e7n h GLN 75 CO -0.03 0.70 -0.76 1.04 -0.95 0.00 0.00 178.83 178.83 3e7n n GLN 76 N -3.18 1.46 -2.76 1.46 6.02 -0.75 -4.55 117.38 115.08 3e7n n GLN 76 Ca -0.08 -0.06 -0.10 0.00 -0.01 0.00 0.00 57.00 56.76 3e7n n GLN 76 Cb 0.97 -1.30 0.06 0.00 1.02 0.00 0.00 30.24 30.99 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 -1.31 -0.11 -0.24 1.08 2.85 -0.37 -4.68 115.26 112.48 3e7n n ASN 77 Ca 0.03 -2.78 0.00 0.00 -0.11 0.00 0.00 54.58 51.73 3e7n n ASN 77 Cb 0.27 0.21 0.23 0.00 1.24 0.00 0.00 39.78 41.72 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 2.69 1.04 -0.35 1.20 0.13 -1.67 0.00 132.00 135.03 3e7n h PRO 78 Ca -0.13 -0.06 0.01 0.00 -0.87 0.00 0.00 66.00 64.95 3e7n h PRO 78 Cb 1.18 -0.23 -0.02 0.00 0.13 0.00 0.00 31.00 32.05 3e7n h PRO 78 CO 0.28 0.69 0.22 1.96 -0.23 0.00 0.00 178.00 180.92 3e7n h GLN 79 N 1.07 0.44 -0.36 0.86 4.20 -1.92 -0.29 115.11 119.11 3e7n h GLN 79 Ca 0.30 -0.03 -0.17 0.00 0.06 0.00 0.00 58.65 58.81 3e7n h GLN 79 Cb -0.10 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.57 3e7n h GLN 79 CO -0.07 0.29 -0.44 1.25 -0.67 0.00 0.00 178.83 179.19 3e7n h LEU 80 N 0.45 1.00 -0.41 1.46 5.85 -1.79 -2.11 115.31 119.77 3e7n h LEU 80 Ca 0.13 -0.49 0.08 0.00 0.84 0.00 0.00 57.88 58.45 3e7n h LEU 80 Cb -0.03 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 40.64 3e7n h LEU 80 CO -0.05 1.29 -0.06 -0.74 -0.34 0.00 0.00 178.44 178.55 3e7n h HIS 81 N 0.74 -0.13 -0.40 1.25 2.76 -0.78 -1.08 115.15 117.51 3e7n h HIS 81 Ca 0.05 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.24 3e7n h HIS 81 Cb 1.05 0.12 -0.02 0.00 1.55 0.00 0.00 27.41 30.11 3e7n h HIS 81 CO 0.07 -0.14 0.20 0.93 -1.30 0.00 0.00 177.93 177.69 3e7n h GLU 82 N 0.04 0.57 -0.94 5.26 4.39 -0.94 -1.67 114.58 121.30 3e7n h GLU 82 Ca 0.20 -0.08 0.06 0.00 0.34 0.00 0.00 59.36 59.88 3e7n h GLU 82 Cb 0.30 -0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 28.79 3e7n h GLU 82 CO -0.39 0.49 0.61 1.15 -1.16 0.00 0.00 179.01 179.71 3e7n h THR 83 N 0.51 1.10 -0.26 1.13 2.02 -0.98 -1.61 112.91 114.81 3e7n h THR 83 Ca 0.14 -0.38 -0.07 0.00 0.77 0.00 0.00 66.41 66.87 3e7n h THR 83 Cb 0.10 -0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.40 3e7n h THR 83 CO -0.02 0.20 -0.12 0.25 0.37 0.00 0.00 175.52 176.20 3e7n h LEU 84 N 1.10 0.56 -0.64 2.58 5.85 -0.95 -1.47 115.31 122.33 3e7n h LEU 84 Ca 0.40 -0.40 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 3e7n h LEU 84 Cb 0.14 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 3e7n h LEU 84 CO -0.14 0.84 0.33 -0.07 -0.34 0.00 0.00 178.44 179.05 3e7n h LEU 85 N 0.27 0.81 -0.37 2.25 3.38 -0.99 0.70 115.31 121.36 3e7n h LEU 85 Ca 0.06 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 57.94 3e7n h LEU 85 Cb 0.62 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 3e7n h LEU 85 CO 0.04 0.69 0.19 0.74 0.09 0.00 0.00 178.44 180.19 3e7n h THR 86 N 0.87 0.99 -0.52 0.22 2.02 -1.19 -0.07 112.91 115.24 3e7n h THR 86 Ca 0.22 -0.13 -0.02 0.00 0.77 0.00 0.00 66.41 67.25 3e7n h THR 86 Cb 0.07 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 3e7n h THR 86 CO -0.03 0.07 0.26 -0.74 0.37 0.00 0.00 175.52 175.45 3e7n h HIS 87 N 0.39 0.74 -0.00 3.16 -0.00 -0.80 -1.62 115.15 117.02 3e7n h HIS 87 Ca 0.16 -0.03 -0.06 0.00 -0.00 0.00 0.00 60.37 60.43 3e7n h HIS 87 Cb 0.05 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 27.23 3e7n h HIS 87 CO -0.09 0.57 -0.28 -0.07 -0.00 0.00 0.00 177.93 178.05 3e7n h LEU 88 N 0.69 0.01 -0.48 0.26 3.38 -0.56 0.65 115.31 119.25 3e7n h LEU 88 Ca 0.18 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.09 3e7n h LEU 88 Cb 0.10 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3e7n h LEU 88 CO -0.02 0.29 0.07 -0.08 0.09 0.00 0.00 178.44 178.79 3e7n h GLU 89 N 0.00 0.80 -0.21 1.13 4.81 -0.40 -1.58 114.58 119.13 3e7n h GLU 89 Ca -0.00 -0.22 -0.18 0.00 -0.13 0.00 0.00 59.36 58.83 3e7n h GLU 89 Cb 0.50 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.79 3e7n h GLU 89 CO 0.04 0.81 -0.58 1.96 -0.73 0.00 0.00 179.01 180.51 3e7n h GLN 90 N 0.67 0.68 -0.18 1.92 4.20 -0.78 -2.80 115.11 118.82 3e7n h GLN 90 Ca 0.15 -0.45 0.00 0.00 0.06 0.00 0.00 58.65 58.41 3e7n h GLN 90 Cb 0.40 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 3e7n h GLN 90 CO 0.01 1.07 0.12 1.25 -0.67 0.00 0.00 178.83 180.60 3e7n h LEU 91 N 0.52 0.21 -1.19 1.46 5.85 -0.84 -2.14 115.31 119.17 3e7n h LEU 91 Ca 0.00 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 3e7n h LEU 91 Cb 1.15 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.10 3e7n h LEU 91 CO 0.12 0.15 0.21 0.06 -0.34 0.00 0.00 178.44 178.64 3e7n h GLN 92 N 0.24 0.78 -0.32 1.25 3.07 -1.26 0.27 115.11 119.14 3e7n h GLN 92 Ca 0.07 -0.11 -0.01 0.00 0.09 0.00 0.00 58.65 58.68 3e7n h GLN 92 Cb -0.03 -0.14 -0.01 0.00 0.08 0.00 0.00 27.48 27.38 3e7n h GLN 92 CO -0.01 0.64 0.17 1.96 0.09 0.00 0.00 178.83 181.68 3e7n h GLN 93 N 0.77 0.44 -0.09 0.06 4.20 -1.21 0.24 115.11 119.51 3e7n h GLN 93 Ca 0.18 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.74 3e7n h GLN 93 Cb 0.15 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 3e7n h GLN 93 CO -0.02 0.37 -0.42 0.45 -0.67 0.00 0.00 178.83 178.54 3e7n h HIS 94 N 0.39 0.24 0.00 2.96 3.86 -0.74 -2.84 115.15 119.02 3e7n h HIS 94 Ca 0.11 -0.07 -0.07 0.00 -1.16 0.00 0.00 60.37 59.18 3e7n h HIS 94 Cb 0.06 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 3e7n h HIS 94 CO -0.03 0.60 -0.35 1.96 0.86 0.00 0.00 177.93 180.97 3e7n h GLN 95 N 0.17 0.00 -0.33 2.45 4.20 -0.73 -3.47 115.11 117.40 3e7n h GLN 95 Ca 0.01 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.67 3e7n h GLN 95 Cb 0.82 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 3e7n h GLN 95 CO 0.06 0.35 -0.07 0.41 -0.67 0.00 0.00 178.83 178.92 3e7n n GLY 96 N 0.69 0.34 0.00 3.46 0.00 0.75 -4.97 105.19 105.45 3e7n n GLY 96 Ca 0.01 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 1.50 0.56 -3.82 1.61 6.94 -0.61 -5.00 115.26 116.45 3e7n n ASN 97 Ca -0.03 -0.74 -0.27 0.00 -0.02 0.00 0.00 54.58 53.52 3e7n n ASN 97 Cb 0.42 0.00 -0.17 0.00 -2.36 0.00 0.00 39.78 37.68 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 -1.39 0.79 -0.27 5.53 -1.32 -1.26 -4.42 115.64 113.30 3e7n s THR 98 Ca 0.00 -0.51 -0.26 0.00 -1.21 0.00 0.00 61.69 59.71 3e7n s THR 98 Cb 0.00 -1.10 0.00 0.00 -1.51 0.00 0.00 72.50 69.90 3e7n s THR 98 CO 0.00 0.01 0.91 -0.63 -2.21 0.00 0.00 174.62 172.70 3e7n s ILE 99 N 1.76 4.73 0.01 5.08 1.01 -1.26 -4.88 121.20 127.65 3e7n s ILE 99 Ca 0.00 1.62 -0.30 0.00 0.00 0.00 0.00 60.65 61.97 3e7n s ILE 99 Cb -0.16 -4.22 -0.03 0.00 0.01 0.00 0.00 42.46 38.06 3e7n s ILE 99 CO -0.07 -0.21 1.02 -0.75 0.00 0.00 0.00 174.94 174.93 3e7n s LYS 100 N 3.09 4.53 -0.12 2.79 2.20 -0.91 -4.88 119.74 126.44 3e7n s LYS 100 Ca 0.38 1.49 -0.01 0.00 -0.36 0.00 0.00 55.97 57.47 3e7n s LYS 100 Cb -0.14 -3.44 -0.02 0.00 -1.51 0.00 0.00 37.83 32.71 3e7n s LYS 100 CO 0.10 -0.10 -0.09 0.42 -0.36 0.00 0.00 175.35 175.31 3e7n s ILE 101 N 1.06 3.43 0.10 5.43 1.09 -1.26 -0.09 121.20 130.95 3e7n s ILE 101 Ca 0.53 -0.54 -0.01 0.00 -1.10 0.00 0.00 60.65 59.54 3e7n s ILE 101 Cb -0.23 -2.45 -0.04 0.00 -1.06 0.00 0.00 42.46 38.68 3e7n s ILE 101 CO 0.28 0.53 0.01 -0.94 -0.10 0.00 0.00 174.94 174.72 3e7n s SER 102 N 0.12 0.47 -0.03 3.58 1.04 -0.72 -4.98 113.70 113.19 3e7n s SER 102 Ca -0.04 -1.11 0.04 0.00 0.48 0.00 0.00 55.95 55.33 3e7n s SER 102 Cb -0.14 0.24 -0.01 0.00 0.10 0.00 0.00 66.02 66.21 3e7n s SER 102 CO 0.04 -0.65 -0.16 -0.31 0.98 0.00 0.00 173.24 173.14 3e7n s TYR 103 N -3.95 1.53 0.21 5.02 2.02 -1.26 -1.38 117.35 119.55 3e7n s TYR 103 Ca 0.16 -0.38 0.03 0.00 -0.37 0.00 0.00 57.07 56.52 3e7n s TYR 103 Cb 0.08 -1.02 -0.05 0.00 -0.40 0.00 0.00 41.96 40.56 3e7n s TYR 103 CO -0.03 -0.10 -0.01 0.95 -1.57 0.00 0.00 175.55 174.78 3e7n s THR 104 N -0.11 0.97 0.76 -0.71 -4.23 -0.56 -4.86 115.64 106.90 3e7n s THR 104 Ca 0.00 -2.03 -0.15 0.00 -1.18 0.00 0.00 61.69 58.34 3e7n s THR 104 Cb -0.09 -2.27 0.05 0.00 1.34 0.00 0.00 72.50 71.53 3e7n s THR 104 CO 0.01 -0.38 1.18 0.35 -0.54 0.00 0.00 174.62 175.24 3e7n n THR 105 N -0.37 2.76 -0.10 3.99 -2.24 -1.26 -0.73 114.28 116.33 3e7n n THR 105 Ca -0.06 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 3e7n n THR 105 Cb 0.63 -1.24 0.29 0.00 -2.10 0.00 0.00 70.33 67.91 3e7n n THR 105 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 3e7n h HIS 106 N -0.52 0.73 -0.67 4.78 2.76 -1.93 -0.10 115.15 120.21 3e7n h HIS 106 Ca -0.47 -0.02 0.05 0.00 -2.20 0.00 0.00 60.37 57.72 3e7n h HIS 106 Cb 1.31 -0.23 -0.05 0.00 1.55 0.00 0.00 27.41 29.99 3e7n h HIS 106 CO 0.44 0.54 0.39 0.93 -1.30 0.00 0.00 177.93 178.94 3e7n h GLU 107 N 0.74 0.72 -0.18 5.26 4.39 -2.00 -1.09 114.58 122.42 3e7n h GLU 107 Ca 0.19 -0.04 -0.16 0.00 0.34 0.00 0.00 59.36 59.68 3e7n h GLU 107 Cb 0.09 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 3e7n h GLU 107 CO -0.02 0.48 -0.55 0.37 -1.16 0.00 0.00 179.01 178.12 3e7n h GLN 108 N 0.74 0.54 -0.33 2.33 5.75 -1.76 -2.75 115.11 119.63 3e7n h GLN 108 Ca 0.29 -0.34 0.04 0.00 -0.15 0.00 0.00 58.65 58.49 3e7n h GLN 108 Cb 0.12 0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.68 3e7n h GLN 108 CO -0.15 0.95 0.12 0.35 -2.65 0.00 0.00 178.83 177.44 3e7n h PHE 109 N 0.41 0.21 -0.91 3.99 3.57 -0.54 -1.28 116.94 122.40 3e7n h PHE 109 Ca 0.01 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.56 3e7n h PHE 109 Cb 1.09 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 39.73 3e7n h PHE 109 CO 0.04 0.09 0.59 0.87 -2.23 0.00 0.00 178.31 177.67 3e7n h LYS 110 N 0.26 1.11 -0.66 1.11 1.57 -1.07 -1.19 116.57 117.69 3e7n h LYS 110 Ca 0.15 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 3e7n h LYS 110 Cb 0.12 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 3e7n h LYS 110 CO -0.15 0.73 0.35 0.87 -0.57 0.00 0.00 179.45 180.68 3e7n h LYS 111 N 1.14 0.94 -0.34 3.15 1.57 -1.15 -2.51 116.57 119.37 3e7n h LYS 111 Ca 0.36 -0.12 -0.04 0.00 -1.87 0.00 0.00 60.65 58.98 3e7n h LYS 111 Cb 0.00 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 3e7n h LYS 111 CO -0.12 0.72 0.02 -0.07 -0.57 0.00 0.00 179.45 179.43 3e7n h LEU 112 N 0.91 0.49 -2.33 2.94 3.38 -0.64 -2.19 115.31 117.87 3e7n h LEU 112 Ca 0.23 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.15 3e7n h LEU 112 Cb 0.07 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3e7n h LEU 112 CO -0.03 0.54 0.12 0.71 0.09 0.00 0.00 178.44 179.87 3e7n h THR 113 N 0.51 0.48 0.00 0.22 1.35 -0.77 -0.34 112.91 114.36 3e7n h THR 113 Ca 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.97 3e7n h THR 113 Cb 0.30 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 67.62 3e7n h THR 113 CO 0.01 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.28 3e7n h ALA 114 N 1.86 1.00 -0.07 6.62 0.00 -1.40 -2.50 119.26 124.78 3e7n h ALA 114 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3e7n h ALA 114 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3e7n h ALA 114 CO -0.00 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 3e7n n ASP 115 N -2.93 3.02 -4.88 0.00 8.00 -0.14 -4.63 116.55 114.99 3e7n n ASP 115 Ca -0.01 -1.98 -0.30 0.00 0.71 0.00 0.00 54.79 53.21 3e7n n ASP 115 Cb 0.17 -0.02 0.06 0.00 -0.02 0.00 0.00 41.12 41.31 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 -1.92 5.15 0.13 -2.24 1.04 -0.94 -4.72 113.70 110.20 3e7n s SER 116 Ca 0.29 1.08 0.07 0.00 0.48 0.00 0.00 55.95 57.87 3e7n s SER 116 Cb 0.20 -1.81 -0.16 0.00 0.10 0.00 0.00 66.02 64.35 3e7n s SER 116 CO 0.30 -1.53 1.31 1.56 0.98 0.00 0.00 173.24 175.86 3e7n h GLN 117 N -0.78 0.01 -2.17 4.02 1.08 -1.37 -3.44 115.11 112.45 3e7n h GLN 117 Ca -0.45 -0.02 0.02 0.00 -1.45 0.00 0.00 58.65 56.75 3e7n h GLN 117 Cb 1.27 0.01 -0.18 0.00 -0.05 0.00 0.00 27.48 28.53 3e7n h GLN 117 CO 0.64 0.97 0.35 0.00 -0.95 0.00 0.00 178.83 179.84 3e7n s ALA 118 N -2.80 -1.79 -0.21 3.87 0.00 -1.26 -3.49 121.76 116.09 3e7n s ALA 118 Ca 0.01 1.14 -0.03 0.00 0.00 0.00 0.00 51.96 53.08 3e7n s ALA 118 Cb 0.10 0.11 -0.00 0.00 0.00 0.00 0.00 23.12 23.33 3e7n s ALA 118 CO 0.82 -0.51 -0.08 0.08 0.00 0.00 0.00 175.76 176.06 3e7n s VAL 119 N -2.15 3.09 -0.38 0.00 1.01 -0.08 -1.46 120.40 120.43 3e7n s VAL 119 Ca -0.03 -0.59 -0.17 0.00 0.00 0.00 0.00 61.98 61.19 3e7n s VAL 119 Cb -0.01 -2.38 0.00 0.00 0.00 0.00 0.00 36.38 34.00 3e7n s VAL 119 CO -0.01 0.45 0.43 -0.63 0.00 0.00 0.00 175.10 175.34 3e7n s ILE 120 N 1.38 5.09 -0.22 2.22 1.01 0.15 -1.04 121.20 129.79 3e7n s ILE 120 Ca 0.05 -0.06 -0.19 0.00 0.00 0.00 0.00 60.65 60.45 3e7n s ILE 120 Cb -0.14 -3.95 -0.03 0.00 0.01 0.00 0.00 42.46 38.35 3e7n s ILE 120 CO -0.05 -0.27 0.57 -0.60 0.00 0.00 0.00 174.94 174.59 3e7n s ARG 121 N 2.17 4.15 0.57 2.79 3.52 0.15 -1.12 118.95 131.19 3e7n s ARG 121 Ca 0.14 0.47 0.05 0.00 -0.13 0.00 0.00 55.73 56.26 3e7n s ARG 121 Cb -0.16 -3.60 0.07 0.00 -1.56 0.00 0.00 34.95 29.70 3e7n s ARG 121 CO 0.13 -0.27 0.79 -1.54 -0.81 0.00 0.00 175.30 173.61 3e7n s SER 122 N 1.31 5.06 -0.02 -2.12 1.04 -0.22 -1.45 113.70 117.29 3e7n s SER 122 Ca 0.25 -0.51 0.11 0.00 0.48 0.00 0.00 55.95 56.28 3e7n s SER 122 Cb -0.16 -0.16 0.36 0.00 0.10 0.00 0.00 66.02 66.16 3e7n s SER 122 CO 0.09 -1.32 1.27 0.61 0.98 0.00 0.00 173.24 174.87 3e7n n GLY 123 N -2.32 1.04 3.73 7.32 0.00 0.05 -3.34 105.19 111.67 3e7n n GLY 123 Ca 0.13 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 3e7n n GLY 123 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3e7n n GLU 124 N 0.60 2.77 0.00 1.61 4.07 -1.24 0.27 120.64 128.72 3e7n n GLU 124 Ca 0.13 0.99 0.05 0.00 -0.06 0.00 0.00 57.16 58.28 3e7n n GLU 124 Cb 0.39 -2.82 -0.02 0.00 -0.06 0.00 0.00 31.44 28.93 3e7n n GLU 124 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3e7n s SER 126 N -1.62 4.04 0.29 0.00 1.04 -1.26 -4.99 113.70 111.20 3e7n s SER 126 Ca 0.07 1.55 -0.28 0.00 0.48 0.00 0.00 55.95 57.76 3e7n s SER 126 Cb 0.08 -2.26 -0.09 0.00 0.10 0.00 0.00 66.02 63.85 3e7n s SER 126 CO 0.32 -2.29 1.03 -2.84 0.98 0.00 0.00 173.24 170.44 3e7n s PRO 127 N -4.97 4.63 -1.52 4.02 0.02 -1.26 -4.00 135.00 131.91 3e7n s PRO 127 Ca 0.62 1.61 -0.01 0.00 0.02 0.00 0.00 61.00 63.24 3e7n s PRO 127 Cb -0.17 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.28 3e7n s PRO 127 CO 0.56 0.26 0.10 0.66 -0.33 0.00 0.00 177.00 178.26 3e7n n TYR 128 N 1.02 -1.29 -2.19 6.54 4.01 -1.26 -4.56 117.16 119.43 3e7n n TYR 128 Ca -0.00 0.09 -0.43 0.00 -0.16 0.00 0.00 57.90 57.40 3e7n n TYR 128 Cb 0.47 -3.65 0.00 0.00 -0.31 0.00 0.00 39.34 35.85 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 -2.35 5.02 -3.23 -0.72 0.00 -1.26 -4.75 120.51 113.22 3e7n n ALA 129 Ca -0.19 -4.07 -0.13 0.00 0.00 0.00 0.00 53.44 49.05 3e7n n ALA 129 Cb 0.65 -3.30 -0.15 0.00 0.00 0.00 0.00 19.45 16.65 3e7n n ALA 129 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3e7n s ASN 130 N 2.49 0.07 -0.00 0.00 0.01 -1.26 -1.62 114.94 114.63 3e7n s ASN 130 Ca 0.45 0.01 0.00 0.00 -0.71 0.00 0.00 52.86 52.61 3e7n s ASN 130 Cb 0.09 -0.04 0.00 0.00 0.41 0.00 0.00 41.25 41.71 3e7n s ASN 130 CO -0.02 -0.05 -0.00 0.54 -1.51 0.00 0.00 177.10 176.06 3e7n s VAL 131 N 0.43 0.01 -0.29 1.60 0.11 -0.06 -4.51 120.40 117.69 3e7n s VAL 131 Ca -0.04 0.00 -0.13 0.00 -2.93 0.00 0.00 61.98 58.88 3e7n s VAL 131 Cb -0.05 -0.02 -0.04 0.00 -1.53 0.00 0.00 36.38 34.74 3e7n s VAL 131 CO -0.01 0.01 0.30 -0.63 -3.33 0.00 0.00 175.10 171.43 3e7n s ILE 132 N 0.03 5.23 -0.17 7.04 1.01 -0.40 -1.40 121.20 132.52 3e7n s ILE 132 Ca -0.00 0.29 -0.09 0.00 0.00 0.00 0.00 60.65 60.85 3e7n s ILE 132 Cb -0.00 -3.66 -0.05 0.00 0.01 0.00 0.00 42.46 38.75 3e7n s ILE 132 CO -0.00 0.13 0.13 -0.76 0.00 0.00 0.00 174.94 174.44 3e7n s LEU 133 N 1.94 4.26 -0.15 2.97 1.43 0.20 -0.50 118.68 128.82 3e7n s LEU 133 Ca 0.11 0.31 -0.04 0.00 -1.03 0.00 0.00 54.13 53.48 3e7n s LEU 133 Cb -0.16 -2.08 -0.03 0.00 0.03 0.00 0.00 46.19 43.95 3e7n s LEU 133 CO 0.11 0.26 -0.01 0.00 0.23 0.00 0.00 176.35 176.94 3e7n s ALA 135 N 0.23 3.33 -0.27 0.00 0.00 -0.26 -0.75 121.76 124.05 3e7n s ALA 135 Ca -0.01 0.75 -0.30 0.00 0.00 0.00 0.00 51.96 52.40 3e7n s ALA 135 Cb -0.13 -3.35 0.18 0.00 0.00 0.00 0.00 23.12 19.82 3e7n s ALA 135 CO 0.02 -0.21 1.32 0.20 0.00 0.00 0.00 175.76 177.10 3e7n s GLY 136 N 0.20 0.01 0.21 0.00 0.00 -0.52 -1.02 107.32 106.20 3e7n s GLY 136 Ca 0.51 2.62 0.03 0.00 0.00 0.00 0.00 44.72 47.88 3e7n s GLY 136 CO 0.32 1.03 -0.01 -1.34 0.00 0.00 0.00 173.10 173.10 3e7n s VAL 137 N -1.19 0.99 -2.38 1.40 -7.23 -1.26 -3.71 120.40 107.02 3e7n s VAL 137 Ca 0.08 -2.03 0.29 0.00 -1.81 0.00 0.00 61.98 58.51 3e7n s VAL 137 Cb -0.01 -2.24 0.64 0.00 0.56 0.00 0.00 36.38 35.32 3e7n s VAL 137 CO -0.06 -0.40 1.86 1.07 -0.31 0.00 0.00 175.10 177.26