#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i8n s THR 38 N 0.00 -0.12 0.19 2.62 2.01 -1.26 -0.94 115.64 118.14 1i8n s THR 38 Ca 0.00 0.26 0.05 0.00 0.31 0.00 0.00 61.69 62.31 1i8n s THR 38 Cb 0.00 -0.23 -0.05 0.00 0.01 0.00 0.00 72.50 72.23 1i8n s THR 38 CO 0.00 0.11 -0.08 0.27 -0.69 0.00 0.00 174.62 174.23 1i8n s ILE 39 N 1.57 1.26 0.06 1.82 -4.36 0.92 -4.93 121.20 117.54 1i8n s ILE 39 Ca -0.04 -2.08 -0.20 0.00 -0.26 0.00 0.00 60.65 58.06 1i8n s ILE 39 Cb -0.12 -2.05 0.05 0.00 1.25 0.00 0.00 42.46 41.59 1i8n s ILE 39 CO -0.05 -0.58 0.48 0.28 0.24 0.00 0.00 174.94 175.30 1i8n s THR 40 N -3.27 0.04 -0.74 8.37 -1.32 -1.26 0.13 115.64 117.59 1i8n s THR 40 Ca 0.22 -0.34 0.17 0.00 -1.21 0.00 0.00 61.69 60.52 1i8n s THR 40 Cb 0.03 -0.99 0.78 0.00 -1.51 0.00 0.00 72.50 70.80 1i8n s THR 40 CO 0.04 -0.19 1.69 0.00 -2.21 0.00 0.00 174.62 173.96 1i8n n ALA 41 N 0.32 3.46 -1.97 11.08 0.00 -1.26 -4.94 120.51 127.21 1i8n n ALA 41 Ca -0.18 -1.76 -0.16 0.00 0.00 0.00 0.00 53.44 51.34 1i8n n ALA 41 Cb 0.61 -1.07 -0.03 0.00 0.00 0.00 0.00 19.45 18.96 1i8n n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i8n n GLY 42 N 0.92 0.50 0.66 0.00 0.00 -1.26 -4.91 105.19 101.09 1i8n n GLY 42 Ca 0.27 -0.21 0.09 0.00 0.00 0.00 0.00 46.02 46.17 1i8n n GLY 42 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1i8n n ASN 43 N -0.94 3.44 0.00 1.61 6.94 -1.26 -4.94 115.26 120.11 1i8n n ASN 43 Ca -0.18 -3.04 0.00 0.00 -0.02 0.00 0.00 54.58 51.33 1i8n n ASN 43 Cb 0.60 -0.51 0.00 0.00 -2.36 0.00 0.00 39.78 37.51 1i8n n ASN 43 CO 0.00 0.00 0.00 -1.84 -1.03 0.00 0.00 177.26 174.39 1i8n n GLU 44 N -0.78 0.00 -3.78 -3.83 0.00 -1.26 -5.01 120.64 105.97 1i8n n GLU 44 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 57.16 56.99 1i8n n GLU 44 Cb 0.82 -1.60 -0.13 0.00 0.00 0.00 0.00 31.44 30.53 1i8n n GLU 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1i8n s ASP 45 N -3.19 4.97 0.05 -1.84 1.01 -1.26 0.50 116.67 116.90 1i8n s ASP 45 Ca 0.00 -0.35 0.06 0.00 0.71 0.00 0.00 52.55 52.96 1i8n s ASP 45 Cb 0.00 -1.88 -0.04 0.00 1.01 0.00 0.00 42.92 42.02 1i8n s ASP 45 CO 0.00 -0.07 -0.12 0.00 0.21 0.00 0.00 175.17 175.19 1i8n s TRP 47 N -1.05 2.61 0.09 0.00 0.52 0.12 -0.02 118.94 121.21 1i8n s TRP 47 Ca 0.18 -1.07 0.10 0.00 0.02 0.00 0.00 56.10 55.32 1i8n s TRP 47 Cb -0.11 -1.75 -0.03 0.00 -1.15 0.00 0.00 33.47 30.43 1i8n s TRP 47 CO 0.09 -0.44 -0.26 -1.54 0.02 0.00 0.00 176.95 174.81 1i8n s SER 48 N 0.45 3.18 -0.08 2.95 1.04 -0.17 -0.06 113.70 121.01 1i8n s SER 48 Ca -0.16 -0.67 -0.07 0.00 0.48 0.00 0.00 55.95 55.53 1i8n s SER 48 Cb -0.17 -0.24 -0.04 0.00 0.10 0.00 0.00 66.02 65.66 1i8n s SER 48 CO 0.06 0.20 0.18 -0.75 0.98 0.00 0.00 173.24 173.92 1i8n s LYS 49 N -1.68 3.50 -0.46 4.02 2.20 -0.12 0.45 119.74 127.66 1i8n s LYS 49 Ca 0.12 -0.10 0.03 0.00 -0.36 0.00 0.00 55.97 55.66 1i8n s LYS 49 Cb -0.10 -3.17 0.15 0.00 -1.51 0.00 0.00 37.83 33.20 1i8n s LYS 49 CO 0.04 0.74 0.29 1.03 -0.36 0.00 0.00 175.35 177.09 1i8n s ARG 50 N -1.25 1.25 0.35 4.03 1.81 0.34 -4.45 118.95 121.03 1i8n s ARG 50 Ca 0.19 -2.10 -0.29 0.00 -1.72 0.00 0.00 55.73 51.81 1i8n s ARG 50 Cb -0.13 -2.14 -0.11 0.00 -0.45 0.00 0.00 34.95 32.12 1i8n s ARG 50 CO 0.08 -1.23 1.52 -2.14 -0.68 0.00 0.00 175.30 172.85 1i8n s PRO 51 N 0.17 4.12 0.00 3.54 0.02 -1.26 -1.04 135.00 140.54 1i8n s PRO 51 Ca 0.22 2.57 0.00 0.00 0.02 0.00 0.00 61.00 63.80 1i8n s PRO 51 Cb -0.16 -2.99 0.00 0.00 0.02 0.00 0.00 34.50 31.37 1i8n s PRO 51 CO -0.06 -0.56 0.00 0.41 -0.33 0.00 0.00 177.00 176.46 1i8n n GLY 52 N 1.00 1.72 3.73 0.52 0.00 -0.19 -4.60 105.19 107.37 1i8n n GLY 52 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1i8n n GLY 52 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1i8n s TRP 53 N -3.55 3.73 -0.18 1.61 0.52 -1.12 -0.82 118.94 119.14 1i8n s TRP 53 Ca 0.00 1.63 -0.05 0.00 0.02 0.00 0.00 56.10 57.70 1i8n s TRP 53 Cb 0.00 -2.98 0.07 0.00 -1.15 0.00 0.00 33.47 29.41 1i8n s TRP 53 CO 0.00 0.16 0.13 0.21 0.02 0.00 0.00 176.95 177.48 1i8n s LYS 54 N 0.31 0.10 0.49 4.98 2.20 0.48 -4.36 119.74 123.93 1i8n s LYS 54 Ca 0.45 0.04 -0.14 0.00 -0.36 0.00 0.00 55.97 55.95 1i8n s LYS 54 Cb -0.21 -1.57 -0.07 0.00 -1.51 0.00 0.00 37.83 34.47 1i8n s LYS 54 CO 0.26 -0.65 0.91 -0.51 -0.36 0.00 0.00 175.35 175.01 1i8n s LEU 55 N 2.21 3.66 0.57 5.43 1.43 -1.26 -1.74 118.68 128.97 1i8n s LEU 55 Ca 0.04 1.41 -0.18 0.00 -1.03 0.00 0.00 54.13 54.37 1i8n s LEU 55 Cb -0.16 -4.33 -0.05 0.00 0.03 0.00 0.00 46.19 41.68 1i8n s LEU 55 CO -0.10 -0.54 1.08 -2.16 0.23 0.00 0.00 176.35 174.86 1i8n s PRO 56 N -4.08 3.34 0.55 1.29 0.04 -1.26 -4.94 135.00 129.93 1i8n s PRO 56 Ca 0.56 1.39 0.27 0.00 0.04 0.00 0.00 61.00 63.26 1i8n s PRO 56 Cb -0.10 -2.02 1.45 0.00 0.04 0.00 0.00 34.50 33.86 1i8n s PRO 56 CO 0.33 -0.82 1.97 -0.44 0.04 0.00 0.00 177.00 178.09 1i8n h ASP 57 N 0.84 0.00 0.63 6.66 3.32 -1.96 -0.47 116.42 125.43 1i8n h ASP 57 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1i8n h ASP 57 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1i8n h ASP 57 CO 0.57 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.63 1i8n n ASN 58 N -4.19 0.00 -1.15 6.45 6.94 -1.26 -1.85 115.26 120.19 1i8n n ASN 58 Ca 0.10 0.36 0.12 0.00 -0.02 0.00 0.00 54.58 55.14 1i8n n ASN 58 Cb 0.64 -0.44 0.21 0.00 -2.36 0.00 0.00 39.78 37.83 1i8n n ASN 58 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1i8n n LEU 59 N -1.44 3.46 -4.41 -4.53 4.77 -0.19 -4.94 117.00 109.72 1i8n n LEU 59 Ca 0.06 -1.47 -0.24 0.00 -0.03 0.00 0.00 56.01 54.33 1i8n n LEU 59 Cb 0.22 -0.23 -0.11 0.00 -2.33 0.00 0.00 43.42 40.97 1i8n n LEU 59 CO 0.18 0.73 -0.50 -0.76 -1.33 0.00 0.00 177.39 175.72 1i8n s LEU 60 N -1.52 2.48 -0.18 2.23 1.43 -0.77 -1.03 118.68 121.32 1i8n s LEU 60 Ca 0.38 -0.92 0.01 0.00 -1.03 0.00 0.00 54.13 52.57 1i8n s LEU 60 Cb 0.23 -1.04 0.03 0.00 0.03 0.00 0.00 46.19 45.43 1i8n s LEU 60 CO 0.32 0.05 -0.16 -0.89 0.23 0.00 0.00 176.35 175.89 1i8n s THR 61 N -2.05 1.87 0.29 5.49 2.01 0.10 -4.73 115.64 118.62 1i8n s THR 61 Ca 0.22 -0.91 -0.29 0.00 0.31 0.00 0.00 61.69 61.01 1i8n s THR 61 Cb -0.06 -1.76 -0.10 0.00 0.01 0.00 0.00 72.50 70.58 1i8n s THR 61 CO 0.10 0.42 1.40 -0.75 -0.69 0.00 0.00 174.62 175.10 1i8n s LYS 62 N 1.35 4.28 0.52 4.92 2.20 -1.26 -1.16 119.74 130.58 1i8n s LYS 62 Ca 0.03 2.30 0.08 0.00 -0.36 0.00 0.00 55.97 58.02 1i8n s LYS 62 Cb -0.14 -3.08 0.04 0.00 -1.51 0.00 0.00 37.83 33.14 1i8n s LYS 62 CO -0.11 -0.35 0.56 0.95 -0.36 0.00 0.00 175.35 176.04 1i8n s THR 63 N -0.50 2.18 -1.01 3.43 -4.23 -0.30 -4.91 115.64 110.30 1i8n s THR 63 Ca 0.55 -1.23 0.29 0.00 -1.18 0.00 0.00 61.69 60.12 1i8n s THR 63 Cb -0.42 -2.41 0.22 0.00 1.34 0.00 0.00 72.50 71.23 1i8n s THR 63 CO 0.49 0.00 1.87 -1.84 -0.54 0.00 0.00 174.62 174.59 1i8n n GLU 64 N -1.91 0.01 -2.93 3.99 0.28 -1.26 -4.69 120.64 114.13 1i8n n GLU 64 Ca 0.07 -0.00 -0.40 0.00 -0.16 0.00 0.00 57.16 56.67 1i8n n GLU 64 Cb 0.62 -1.50 -0.05 0.00 1.43 0.00 0.00 31.44 31.94 1i8n n GLU 64 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1i8n s PHE 65 N -2.99 3.85 -0.40 -1.84 0.40 -1.26 -4.92 117.98 110.82 1i8n s PHE 65 Ca 0.14 1.63 0.03 0.00 -0.60 0.00 0.00 56.93 58.13 1i8n s PHE 65 Cb 0.19 -2.84 0.05 0.00 0.51 0.00 0.00 43.02 40.93 1i8n s PHE 65 CO 0.55 0.39 0.75 0.25 0.70 0.00 0.00 175.22 177.87 1i8n n THR 66 N 2.13 0.30 -3.92 0.64 -2.24 -1.26 -2.69 114.28 107.24 1i8n n THR 66 Ca -0.03 -0.65 -0.35 0.00 -2.27 0.00 0.00 64.05 60.74 1i8n n THR 66 Cb 0.49 0.90 -0.11 0.00 -2.10 0.00 0.00 70.33 69.51 1i8n n THR 66 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1i8n s SER 67 N -0.51 5.37 0.33 3.42 0.15 -1.26 -4.78 113.70 116.42 1i8n s SER 67 Ca 0.05 -0.06 0.03 0.00 0.70 0.00 0.00 55.95 56.66 1i8n s SER 67 Cb 0.03 -1.94 0.62 0.00 -1.71 0.00 0.00 66.02 63.02 1i8n s SER 67 CO 0.05 0.07 1.94 0.58 1.20 0.00 0.00 173.24 177.08 1i8n h VAL 68 N 5.21 1.06 -0.15 4.45 2.07 -1.92 0.32 116.25 127.29 1i8n h VAL 68 Ca -0.37 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 1i8n h VAL 68 Cb 1.17 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1i8n h VAL 68 CO 0.63 0.17 0.06 0.44 0.02 0.00 0.00 177.57 178.88 1i8n h ASP 69 N 0.91 0.21 -0.61 0.57 3.32 -1.99 0.14 116.42 118.98 1i8n h ASP 69 Ca 0.34 -0.18 -0.06 0.00 0.02 0.00 0.00 57.03 57.15 1i8n h ASP 69 Cb 0.18 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 1i8n h ASP 69 CO -0.12 0.34 0.16 -0.33 -1.72 0.00 0.00 179.24 177.57 1i8n h GLU 70 N 0.08 1.00 -0.21 3.56 5.08 -1.85 0.81 114.58 123.05 1i8n h GLU 70 Ca 0.05 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.17 1i8n h GLU 70 Cb 0.19 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1i8n h GLU 70 CO -0.00 0.88 0.05 0.00 -1.00 0.00 0.00 179.01 178.95 1i8n h ARG 72 N 0.16 0.65 -0.22 0.00 3.08 -0.42 0.10 114.38 117.72 1i8n h ARG 72 Ca 0.07 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1i8n h ARG 72 Cb 0.26 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1i8n h ARG 72 CO -0.00 0.49 -0.00 -0.22 -1.07 0.00 0.00 179.97 179.17 1i8n h LYS 73 N 0.65 0.40 -0.38 0.04 1.63 -0.16 -0.11 116.57 118.64 1i8n h LYS 73 Ca 0.17 -0.13 0.03 0.00 -0.85 0.00 0.00 60.65 59.87 1i8n h LYS 73 Cb 0.04 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.60 1i8n h LYS 73 CO -0.03 0.59 0.18 1.98 -3.45 0.00 0.00 179.45 178.73 1i8n h MET 74 N 0.16 0.36 -0.81 1.90 1.85 -0.43 -1.32 114.93 116.64 1i8n h MET 74 Ca 0.06 -0.02 0.03 0.00 -0.61 0.00 0.00 59.70 59.16 1i8n h MET 74 Cb 0.41 -0.08 -0.05 0.00 0.43 0.00 0.00 31.60 32.31 1i8n h MET 74 CO 0.01 0.24 0.52 0.00 -0.40 0.00 0.00 176.91 177.29 1i8n h GLU 76 N 1.03 0.08 0.00 0.00 5.08 -0.55 -3.26 114.58 116.96 1i8n h GLU 76 Ca 0.32 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.55 1i8n h GLU 76 Cb -0.02 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1i8n h GLU 76 CO -0.10 0.48 -1.68 0.39 -1.00 0.00 0.00 179.01 177.10 1i8n n GLU 77 N -4.04 0.64 -1.67 2.33 1.02 -0.54 -4.96 120.64 113.42 1i8n n GLU 77 Ca -0.02 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.72 1i8n n GLU 77 Cb 0.45 -1.66 0.01 0.00 -0.02 0.00 0.00 31.44 30.22 1i8n n GLU 77 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1i8n n SER 78 N -2.58 2.05 0.00 1.62 2.88 0.23 -4.82 113.62 113.00 1i8n n SER 78 Ca -0.09 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.53 1i8n n SER 78 Cb 0.71 -1.45 0.00 0.00 -0.75 0.00 0.00 64.21 62.73 1i8n n SER 78 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1i8n n ALA 79 N -0.36 1.71 -2.23 -1.46 0.00 -1.26 -4.82 120.51 112.10 1i8n n ALA 79 Ca 0.08 -0.68 -0.23 0.00 0.00 0.00 0.00 53.44 52.61 1i8n n ALA 79 Cb 0.40 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.86 1i8n n ALA 79 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1i8n s VAL 80 N -0.47 3.67 0.00 0.00 1.01 -1.26 -4.98 120.40 118.37 1i8n s VAL 80 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1i8n s VAL 80 Cb 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 33.01 1i8n s VAL 80 CO 0.00 -0.27 0.00 -0.62 0.00 0.00 0.00 175.10 174.21 1i8n n GLU 81 N -2.18 0.00 -2.69 2.72 1.02 -1.26 -4.18 120.64 114.08 1i8n n GLU 81 Ca 0.03 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.86 1i8n n GLU 81 Cb 0.58 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.97 1i8n n GLU 81 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1i8n s PRO 82 N 0.00 3.85 0.30 3.49 0.04 -1.26 -4.94 135.00 136.48 1i8n s PRO 82 Ca 0.00 0.66 -0.29 0.00 0.04 0.00 0.00 61.00 61.41 1i8n s PRO 82 Cb 0.00 -2.29 -0.13 0.00 0.04 0.00 0.00 34.50 32.12 1i8n s PRO 82 CO 0.00 -0.12 1.35 0.43 0.04 0.00 0.00 177.00 178.70 1i8n n SER 83 N -1.37 2.78 -4.72 6.66 7.64 -1.26 -4.92 113.62 118.43 1i8n n SER 83 Ca 0.04 1.18 -0.42 0.00 1.01 0.00 0.00 58.87 60.68 1i8n n SER 83 Cb 0.54 -1.46 -0.03 0.00 -1.01 0.00 0.00 64.21 62.24 1i8n n SER 83 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1i8n n TYR 85 N 3.52 0.00 -4.32 0.00 0.18 -1.26 -4.87 117.16 110.41 1i8n n TYR 85 Ca 0.06 0.00 -0.22 0.00 1.88 0.00 0.00 57.90 59.63 1i8n n TYR 85 Cb 0.48 0.01 -0.16 0.00 -0.38 0.00 0.00 39.34 39.29 1i8n n TYR 85 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 1i8n s ILE 86 N 0.00 0.76 0.06 -3.48 -1.09 -1.26 -1.20 121.20 114.98 1i8n s ILE 86 Ca 0.00 -0.26 0.09 0.00 -2.23 0.00 0.00 60.65 58.26 1i8n s ILE 86 Cb 0.00 -0.74 -0.03 0.00 -1.58 0.00 0.00 42.46 40.11 1i8n s ILE 86 CO 0.00 0.27 -0.26 -0.76 -1.23 0.00 0.00 174.94 172.96 1i8n s LEU 87 N 0.81 2.19 -0.07 2.97 1.43 -0.02 -1.75 118.68 124.25 1i8n s LEU 87 Ca -0.13 -0.61 0.03 0.00 -1.03 0.00 0.00 54.13 52.39 1i8n s LEU 87 Cb -0.15 -1.26 0.01 0.00 0.03 0.00 0.00 46.19 44.82 1i8n s LEU 87 CO 0.01 0.24 -0.15 -1.58 0.23 0.00 0.00 176.35 175.11 1i8n s GLN 88 N -1.35 1.92 -0.12 1.70 0.74 0.13 -0.83 119.66 121.85 1i8n s GLN 88 Ca 0.12 -0.52 0.02 0.00 0.05 0.00 0.00 55.36 55.03 1i8n s GLN 88 Cb -0.10 -1.56 -0.01 0.00 1.10 0.00 0.00 33.01 32.44 1i8n s GLN 88 CO 0.03 0.09 -0.18 0.42 -0.55 0.00 0.00 175.29 175.09 1i8n s ILE 89 N 0.51 2.60 -0.28 -2.34 -1.09 0.14 -0.15 121.20 120.59 1i8n s ILE 89 Ca -0.14 -0.82 -0.29 0.00 -2.23 0.00 0.00 60.65 57.17 1i8n s ILE 89 Cb -0.15 -2.06 0.01 0.00 -1.58 0.00 0.00 42.46 38.68 1i8n s ILE 89 CO 0.04 0.54 1.10 0.21 -1.23 0.00 0.00 174.94 175.60 1i8n s ASN 90 N 0.38 6.96 0.00 3.58 3.84 -0.24 -1.52 114.94 127.94 1i8n s ASN 90 Ca -0.14 1.20 0.31 0.00 0.21 0.00 0.00 52.86 54.45 1i8n s ASN 90 Cb -0.17 -2.54 1.84 0.00 -0.55 0.00 0.00 41.25 39.83 1i8n s ASN 90 CO 0.07 -0.83 2.18 0.35 -2.79 0.00 0.00 177.10 176.08 1i8n n THR 91 N 5.70 0.00 -0.04 -5.21 -2.24 0.12 -0.15 114.28 112.46 1i8n n THR 91 Ca 0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1i8n n THR 91 Cb 0.47 -0.51 -0.12 0.00 -2.10 0.00 0.00 70.33 68.06 1i8n n THR 91 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1i8n n GLU 92 N -1.03 1.02 -0.00 -0.78 0.28 -1.26 -4.51 120.64 114.36 1i8n n GLU 92 Ca 0.23 -0.08 0.07 0.00 -0.16 0.00 0.00 57.16 57.22 1i8n n GLU 92 Cb 0.12 -1.39 -0.09 0.00 1.43 0.00 0.00 31.44 31.51 1i8n n GLU 92 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1i8n n THR 93 N -2.31 0.00 -0.93 3.84 -2.24 -1.20 -4.98 114.28 106.46 1i8n n THR 93 Ca -0.14 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1i8n n THR 93 Cb 0.71 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.94 1i8n n THR 93 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1i8n n ASN 94 N -1.37 -4.01 -4.77 3.42 3.02 0.79 -4.96 115.26 107.37 1i8n n ASN 94 Ca 0.03 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.18 1i8n n ASN 94 Cb 0.25 -2.36 -0.01 0.00 -0.61 0.00 0.00 39.78 37.05 1i8n n ASN 94 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1i8n s GLU 95 N -1.22 4.10 -0.12 3.52 2.02 -1.23 -4.22 118.70 121.55 1i8n s GLU 95 Ca 0.00 2.36 0.02 0.00 0.02 0.00 0.00 54.97 57.37 1i8n s GLU 95 Cb 0.00 -2.92 -0.00 0.00 0.10 0.00 0.00 34.13 31.31 1i8n s GLU 95 CO 0.00 -0.46 -0.19 0.00 0.02 0.00 0.00 175.26 174.64 1i8n s TYR 97 N 0.43 2.34 0.29 0.00 1.51 0.79 -1.15 117.35 121.56 1i8n s TYR 97 Ca -0.14 -0.36 0.11 0.00 -1.01 0.00 0.00 57.07 55.68 1i8n s TYR 97 Cb -0.17 -1.24 -0.05 0.00 -0.11 0.00 0.00 41.96 40.39 1i8n s TYR 97 CO 0.06 0.38 -0.14 -0.98 -1.11 0.00 0.00 175.55 173.76 1i8n s ARG 98 N -2.20 1.83 0.32 -0.62 1.70 -0.31 0.19 118.95 119.86 1i8n s ARG 98 Ca 0.16 -1.71 -0.29 0.00 -0.47 0.00 0.00 55.73 53.41 1i8n s ARG 98 Cb -0.10 -1.85 -0.11 0.00 -0.57 0.00 0.00 34.95 32.33 1i8n s ARG 98 CO 0.07 0.31 1.49 0.54 -1.08 0.00 0.00 175.30 176.63 1i8n s ASN 99 N -3.56 6.48 0.00 -2.89 4.22 -0.71 0.01 114.94 118.48 1i8n s ASN 99 Ca 0.31 2.89 0.21 0.00 -2.14 0.00 0.00 52.86 54.13 1i8n s ASN 99 Cb -0.04 -2.65 0.25 0.00 1.28 0.00 0.00 41.25 40.09 1i8n s ASN 99 CO 0.16 -0.81 1.24 -0.46 -2.04 0.00 0.00 177.10 175.20 1i8n n ASN 100 N 1.47 2.99 -4.72 3.54 0.23 -0.20 -4.68 115.26 113.89 1i8n n ASN 100 Ca 0.04 -1.91 -0.28 0.00 -0.53 0.00 0.00 54.58 51.90 1i8n n ASN 100 Cb 0.39 -0.09 -0.07 0.00 -2.08 0.00 0.00 39.78 37.93 1i8n n ASN 100 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 1i8n s GLU 101 N -1.63 2.64 0.28 -3.83 2.02 -1.26 -4.77 118.70 112.15 1i8n s GLU 101 Ca 0.29 -0.91 0.05 0.00 0.02 0.00 0.00 54.97 54.41 1i8n s GLU 101 Cb 0.19 -2.53 0.41 0.00 0.10 0.00 0.00 34.13 32.30 1i8n s GLU 101 CO 0.27 0.50 1.69 0.78 0.02 0.00 0.00 175.26 178.52 1i8n h GLY 102 N 2.91 0.35 -7.44 -1.39 0.00 -1.91 -3.39 103.07 92.19 1i8n h GLY 102 Ca -0.47 -0.33 -0.56 0.00 0.00 0.00 0.00 47.33 45.97 1i8n h GLY 102 CO 0.61 0.30 -0.77 -0.35 0.00 0.00 0.00 176.54 176.32 1i8n s ASP 103 N -6.87 3.37 0.21 0.19 -1.08 -1.26 -4.88 116.67 106.35 1i8n s ASP 103 Ca -0.05 -1.00 -0.32 0.00 -0.52 0.00 0.00 52.55 50.66 1i8n s ASP 103 Cb 0.13 -0.87 -0.11 0.00 -1.46 0.00 0.00 42.92 40.60 1i8n s ASP 103 CO 0.78 -0.27 1.67 -0.69 0.52 0.00 0.00 175.17 177.18 1i8n s VAL 104 N 1.64 2.16 -1.31 1.11 1.01 -1.26 -4.88 120.40 118.86 1i8n s VAL 104 Ca -0.03 0.12 -0.17 0.00 0.00 0.00 0.00 61.98 61.89 1i8n s VAL 104 Cb -0.18 -3.08 0.04 0.00 0.00 0.00 0.00 36.38 33.17 1i8n s VAL 104 CO -0.07 0.01 1.89 0.41 0.00 0.00 0.00 175.10 177.34 1i8n n THR 105 N 3.78 3.58 0.09 3.92 -1.04 -1.26 -4.75 114.28 118.60 1i8n n THR 105 Ca 0.15 -3.56 0.06 0.00 -2.04 0.00 0.00 64.05 58.65 1i8n n THR 105 Cb 0.36 -2.40 0.31 0.00 -1.82 0.00 0.00 70.33 66.78 1i8n n THR 105 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 1i8n n TRP 106 N 8.25 0.39 0.44 -1.42 7.02 -1.26 -1.19 117.44 129.67 1i8n n TRP 106 Ca 0.49 0.20 0.11 0.00 -1.02 0.00 0.00 57.50 57.29 1i8n n TRP 106 Cb 0.44 -0.83 0.44 0.00 -2.42 0.00 0.00 31.31 28.95 1i8n n TRP 106 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 1i8n n SER 107 N -1.90 0.49 -1.11 -0.99 3.41 -1.26 -1.40 113.62 110.86 1i8n n SER 107 Ca -0.01 0.61 0.10 0.00 -0.26 0.00 0.00 58.87 59.32 1i8n n SER 107 Cb 0.02 -0.72 0.27 0.00 -0.26 0.00 0.00 64.21 63.52 1i8n n SER 107 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1i8n n SER 108 N -2.03 3.24 -4.77 4.04 7.64 -0.33 -4.98 113.62 116.43 1i8n n SER 108 Ca 0.03 -1.98 -0.39 0.00 1.01 0.00 0.00 58.87 57.53 1i8n n SER 108 Cb 0.22 -0.36 -0.02 0.00 -1.01 0.00 0.00 64.21 63.04 1i8n n SER 108 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1i8n s LEU 109 N -1.13 4.32 0.06 -3.43 2.96 -0.49 -4.39 118.68 116.59 1i8n s LEU 109 Ca 0.40 2.47 0.08 0.00 -0.22 0.00 0.00 54.13 56.87 1i8n s LEU 109 Cb 0.22 -3.83 -0.03 0.00 0.50 0.00 0.00 46.19 43.04 1i8n s LEU 109 CO 0.29 -0.57 -0.22 -1.10 -1.32 0.00 0.00 176.35 173.43 1i8n s GLN 110 N -2.00 1.39 0.30 1.98 -0.21 -0.71 -5.00 119.66 115.41 1i8n s GLN 110 Ca 0.53 -1.04 0.03 0.00 0.02 0.00 0.00 55.36 54.89 1i8n s GLN 110 Cb -0.34 -1.58 -0.02 0.00 1.00 0.00 0.00 33.01 32.06 1i8n s GLN 110 CO 0.44 0.39 0.30 1.52 -2.12 0.00 0.00 175.29 175.83 1i8n s TYR 111 N -0.90 1.44 -1.35 0.91 -0.85 -1.26 -0.39 117.35 114.95 1i8n s TYR 111 Ca 0.08 -1.49 -0.08 0.00 -0.52 0.00 0.00 57.07 55.06 1i8n s TYR 111 Cb -0.09 -0.51 0.05 0.00 0.38 0.00 0.00 41.96 41.79 1i8n s TYR 111 CO 0.03 -0.89 0.52 -0.25 -1.52 0.00 0.00 175.55 173.43 1i8n n ASP 112 N -1.23 -4.33 -4.86 -0.18 9.92 -0.87 -4.94 116.55 110.05 1i8n n ASP 112 Ca 0.05 -0.36 -0.31 0.00 -0.53 0.00 0.00 54.79 53.64 1i8n n ASP 112 Cb 0.63 -3.55 -0.04 0.00 -0.64 0.00 0.00 41.12 37.51 1i8n n ASP 112 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 1i8n s GLN 113 N -5.92 3.88 0.44 -1.24 -1.52 0.00 -5.00 119.66 110.31 1i8n s GLN 113 Ca 0.37 0.57 -0.14 0.00 -1.95 0.00 0.00 55.36 54.21 1i8n s GLN 113 Cb -0.19 -2.40 -0.07 0.00 -0.22 0.00 0.00 33.01 30.13 1i8n s GLN 113 CO 0.46 0.04 0.86 -1.25 -0.25 0.00 0.00 175.29 175.15 1i8n s PRO 114 N -3.47 3.89 -1.60 2.91 0.04 -1.26 -4.14 135.00 131.38 1i8n s PRO 114 Ca 0.53 0.72 -0.02 0.00 0.04 0.00 0.00 61.00 62.27 1i8n s PRO 114 Cb -0.10 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 32.16 1i8n s PRO 114 CO 0.25 -0.11 0.17 0.09 0.04 0.00 0.00 177.00 177.43 1i8n n ASN 115 N -1.29 -5.57 -3.78 6.66 3.02 -1.26 -4.96 115.26 108.08 1i8n n ASN 115 Ca 0.04 -0.06 -0.13 0.00 -0.03 0.00 0.00 54.58 54.40 1i8n n ASN 115 Cb 0.54 -4.61 -0.09 0.00 -0.61 0.00 0.00 39.78 35.00 1i8n n ASN 115 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1i8n s VAL 116 N -3.01 0.05 -0.04 2.41 0.11 -1.26 -0.70 120.40 117.96 1i8n s VAL 116 Ca 0.09 -0.44 -0.10 0.00 -2.93 0.00 0.00 61.98 58.60 1i8n s VAL 116 Cb -0.04 -0.56 0.02 0.00 -1.53 0.00 0.00 36.38 34.26 1i8n s VAL 116 CO 0.11 -0.24 0.23 0.54 -3.33 0.00 0.00 175.10 172.40 1i8n s VAL 117 N -1.13 0.04 0.15 2.04 0.11 -0.57 -1.02 120.40 120.02 1i8n s VAL 117 Ca -0.12 -0.34 0.09 0.00 -2.93 0.00 0.00 61.98 58.67 1i8n s VAL 117 Cb -0.05 -0.44 -0.04 0.00 -1.53 0.00 0.00 36.38 34.32 1i8n s VAL 117 CO 0.03 -0.19 -0.13 -1.10 -3.33 0.00 0.00 175.10 170.39 1i8n s GLN 118 N -0.73 1.98 -0.05 1.54 -0.21 -0.21 0.26 119.66 122.24 1i8n s GLN 118 Ca -0.08 -1.20 0.04 0.00 0.02 0.00 0.00 55.36 54.14 1i8n s GLN 118 Cb -0.05 -2.17 -0.00 0.00 1.00 0.00 0.00 33.01 31.80 1i8n s GLN 118 CO 0.02 0.46 -0.17 -1.58 -2.12 0.00 0.00 175.29 171.90 1i8n s TRP 119 N -1.44 1.71 -0.15 0.91 0.52 -0.01 -0.50 118.94 119.97 1i8n s TRP 119 Ca 0.22 -0.53 0.01 0.00 0.02 0.00 0.00 56.10 55.82 1i8n s TRP 119 Cb -0.10 -1.17 0.01 0.00 -1.15 0.00 0.00 33.47 31.06 1i8n s TRP 119 CO 0.13 -0.20 -0.19 -1.01 0.02 0.00 0.00 176.95 175.70 1i8n s HIS 120 N 0.17 2.72 -0.08 -1.98 3.76 0.17 -0.84 115.29 119.22 1i8n s HIS 120 Ca -0.07 -1.27 -0.26 0.00 -0.15 0.00 0.00 55.06 53.31 1i8n s HIS 120 Cb -0.13 -1.86 -0.03 0.00 1.11 0.00 0.00 32.58 31.68 1i8n s HIS 120 CO 0.03 -0.59 0.84 -1.17 -0.85 0.00 0.00 174.74 173.00 1i8n s LEU 121 N 0.88 4.29 -0.03 0.89 2.96 -0.34 -1.00 118.68 126.33 1i8n s LEU 121 Ca -0.05 1.34 0.02 0.00 -0.22 0.00 0.00 54.13 55.23 1i8n s LEU 121 Cb -0.15 -3.30 0.01 0.00 0.50 0.00 0.00 46.19 43.25 1i8n s LEU 121 CO -0.03 -0.26 -0.08 -1.00 -1.32 0.00 0.00 176.35 173.66 1i8n s HIS 122 N 1.33 0.91 0.31 5.38 3.76 0.97 -4.91 115.29 123.04 1i8n s HIS 122 Ca 0.43 -0.24 -0.29 0.00 -0.15 0.00 0.00 55.06 54.81 1i8n s HIS 122 Cb -0.18 -0.67 -0.10 0.00 1.11 0.00 0.00 32.58 32.73 1i8n s HIS 122 CO 0.19 -0.12 1.33 0.00 -0.85 0.00 0.00 174.74 175.29 1i8n s ALA 123 N 0.34 3.52 0.31 -1.40 0.00 -1.26 -0.19 121.76 123.07 1i8n s ALA 123 Ca -0.05 1.27 -0.03 0.00 0.00 0.00 0.00 51.96 53.15 1i8n s ALA 123 Cb -0.10 -3.49 -0.01 0.00 0.00 0.00 0.00 23.12 19.52 1i8n s ALA 123 CO 0.01 -0.66 0.40 0.00 0.00 0.00 0.00 175.76 175.51