#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o8r s THR 2 N 0.00 2.22 -0.39 2.52 2.01 -1.17 -4.88 115.64 115.95 1o8r s THR 2 Ca 0.00 -1.85 -0.28 0.00 0.31 0.00 0.00 61.69 59.87 1o8r s THR 2 Cb 0.00 -2.00 0.02 0.00 0.01 0.00 0.00 72.50 70.53 1o8r s THR 2 CO 0.00 -0.02 1.06 -0.69 -0.69 0.00 0.00 174.62 174.28 1o8r s VAL 3 N -1.35 4.41 -0.12 3.82 1.01 0.14 -1.04 120.40 127.27 1o8r s VAL 3 Ca 0.16 1.40 -0.01 0.00 0.00 0.00 0.00 61.98 63.53 1o8r s VAL 3 Cb -0.09 -4.47 -0.02 0.00 0.00 0.00 0.00 36.38 31.80 1o8r s VAL 3 CO 0.07 -0.70 -0.09 -1.58 0.00 0.00 0.00 175.10 172.80 1o8r s GLN 4 N 3.92 3.34 0.00 2.72 0.74 -0.81 0.28 119.66 129.84 1o8r s GLN 4 Ca 0.45 -0.60 0.00 0.00 0.05 0.00 0.00 55.36 55.25 1o8r s GLN 4 Cb -0.10 -2.71 0.00 0.00 1.10 0.00 0.00 33.01 31.29 1o8r s GLN 4 CO 0.22 0.32 0.00 -3.47 -0.55 0.00 0.00 175.29 171.82 1o8r n ASP 5 N 3.24 0.00 0.00 6.67 2.03 -1.11 -4.83 116.55 122.54 1o8r n ASP 5 Ca -0.18 0.03 0.00 0.00 0.52 0.00 0.00 54.79 55.16 1o8r n ASP 5 Cb 0.53 -0.10 0.00 0.00 -0.72 0.00 0.00 41.12 40.83 1o8r n ASP 5 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1o8r n GLY 6 N 2.33 0.57 0.05 0.27 0.00 -1.26 -4.86 105.19 102.29 1o8r n GLY 6 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1o8r n GLY 6 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1o8r n ASN 7 N 0.00 0.12 -4.19 1.61 3.02 -1.26 -4.76 115.26 109.80 1o8r n ASN 7 Ca 0.00 -2.00 -0.27 0.00 -0.03 0.00 0.00 54.58 52.28 1o8r n ASN 7 Cb 0.00 -0.02 -0.16 0.00 -0.61 0.00 0.00 39.78 38.99 1o8r n ASN 7 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1o8r s PHE 8 N -1.95 1.85 -0.04 3.10 0.08 -1.26 -5.12 117.98 114.64 1o8r s PHE 8 Ca 0.01 -0.44 -0.20 0.00 0.12 0.00 0.00 56.93 56.42 1o8r s PHE 8 Cb 0.01 -1.21 -0.05 0.00 -0.57 0.00 0.00 43.02 41.20 1o8r s PHE 8 CO 0.01 -0.10 0.57 -1.54 -0.10 0.00 0.00 175.22 174.05 1o8r s SER 9 N -0.26 6.89 -0.18 1.36 1.04 -1.26 -2.77 113.70 118.52 1o8r s SER 9 Ca 0.02 1.06 -0.01 0.00 0.48 0.00 0.00 55.95 57.51 1o8r s SER 9 Cb -0.10 -2.34 -0.00 0.00 0.10 0.00 0.00 66.02 63.68 1o8r s SER 9 CO 0.01 0.06 -0.13 -0.36 0.98 0.00 0.00 173.24 173.80 1o8r s PHE 10 N 0.10 2.84 0.99 5.02 0.08 0.80 -4.89 117.98 122.91 1o8r s PHE 10 Ca 0.30 -1.10 -0.14 0.00 0.12 0.00 0.00 56.93 56.11 1o8r s PHE 10 Cb -0.17 -1.96 0.18 0.00 -0.57 0.00 0.00 43.02 40.51 1o8r s PHE 10 CO 0.15 -0.54 1.13 -1.12 -0.10 0.00 0.00 175.22 174.74 1o8r s SER 11 N 1.07 2.76 0.00 1.36 0.01 -1.26 -0.68 113.70 116.96 1o8r s SER 11 Ca -0.00 0.94 0.20 0.00 1.31 0.00 0.00 55.95 58.39 1o8r s SER 11 Cb -0.15 -1.46 0.24 0.00 0.21 0.00 0.00 66.02 64.87 1o8r s SER 11 CO -0.03 -3.02 1.20 0.18 0.41 0.00 0.00 173.24 171.98 1o8r n LEU 12 N -4.07 2.87 0.00 2.44 4.32 -1.26 -4.58 117.00 116.72 1o8r n LEU 12 Ca 0.07 -1.23 0.00 0.00 -0.02 0.00 0.00 56.01 54.84 1o8r n LEU 12 Cb 0.59 -0.09 0.00 0.00 -1.62 0.00 0.00 43.42 42.29 1o8r n LEU 12 CO 0.55 0.56 0.13 -0.62 -1.22 0.00 0.00 177.39 176.79 1o8r n GLU 13 N 1.15 0.00 -0.34 3.23 1.02 -1.26 -1.14 120.64 123.30 1o8r n GLU 13 Ca 0.14 0.14 0.11 0.00 -0.02 0.00 0.00 57.16 57.52 1o8r n GLU 13 Cb 0.51 -0.84 0.23 0.00 -0.02 0.00 0.00 31.44 31.32 1o8r n GLU 13 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1o8r h SER 14 N 0.00 -0.58 0.04 1.62 0.02 -1.95 0.27 113.55 112.97 1o8r h SER 14 Ca 0.00 0.27 -0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1o8r h SER 14 Cb 0.00 0.50 0.00 0.00 0.14 0.00 0.00 62.40 63.04 1o8r h SER 14 CO 0.00 -0.33 -0.02 -0.37 -1.14 0.00 0.00 176.83 174.98 1o8r h VAL 15 N 0.02 1.09 -0.11 2.27 -1.51 -1.81 1.05 116.25 117.25 1o8r h VAL 15 Ca 0.54 -0.41 0.04 0.00 -1.23 0.00 0.00 66.70 65.65 1o8r h VAL 15 Cb 1.04 1.37 -0.05 0.00 -2.13 0.00 0.00 31.29 31.51 1o8r h VAL 15 CO -0.92 0.10 -0.23 0.50 -1.23 0.00 0.00 177.57 175.80 1o8r h LYS 16 N -0.23 -0.29 -0.00 5.19 3.64 0.96 0.31 116.57 126.15 1o8r h LYS 16 Ca -0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1o8r h LYS 16 Cb 0.21 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1o8r h LYS 16 CO 0.01 -0.19 0.00 1.63 -2.27 0.00 0.00 179.45 178.63 1o8r n LYS 17 N -5.36 1.01 -0.21 1.90 5.02 0.32 -3.86 118.16 116.98 1o8r n LYS 17 Ca -0.03 -0.02 0.10 0.00 -2.02 0.00 0.00 58.31 56.34 1o8r n LYS 17 Cb 0.27 -1.26 0.38 0.00 -0.02 0.00 0.00 35.03 34.41 1o8r n LYS 17 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1o8r h LEU 18 N 0.04 0.62 -0.88 -0.35 5.85 0.52 -0.84 115.31 120.26 1o8r h LEU 18 Ca 0.00 0.02 0.13 0.00 0.84 0.00 0.00 57.88 58.87 1o8r h LEU 18 Cb 0.01 -0.11 -0.09 0.00 0.37 0.00 0.00 40.66 40.84 1o8r h LEU 18 CO 0.00 0.36 0.49 0.50 -0.34 0.00 0.00 178.44 179.45 1o8r h LYS 19 N 0.68 0.71 -5.65 1.25 1.63 -1.71 -3.39 116.57 110.09 1o8r h LYS 19 Ca 0.37 -0.04 -0.66 0.00 -0.85 0.00 0.00 60.65 59.47 1o8r h LYS 19 Cb 0.51 -0.16 -0.23 0.00 -0.60 0.00 0.00 32.23 31.76 1o8r h LYS 19 CO -0.14 0.47 -0.72 0.16 -3.45 0.00 0.00 179.45 175.77 1o8r s ASP 20 N -5.51 4.41 -0.39 4.20 -4.77 -0.32 -5.07 116.67 109.22 1o8r s ASP 20 Ca -0.12 -0.17 -0.29 0.00 -3.30 0.00 0.00 52.55 48.67 1o8r s ASP 20 Cb 0.21 -1.45 0.02 0.00 -1.09 0.00 0.00 42.92 40.61 1o8r s ASP 20 CO 0.79 0.24 1.10 -0.22 0.70 0.00 0.00 175.17 177.78 1o8r s LEU 21 N -0.08 3.80 0.26 2.11 1.98 -1.26 -4.86 118.68 120.64 1o8r s LEU 21 Ca -0.00 0.80 -0.11 0.00 -2.89 0.00 0.00 54.13 51.93 1o8r s LEU 21 Cb -0.13 -3.55 -0.00 0.00 0.66 0.00 0.00 46.19 43.17 1o8r s LEU 21 CO 0.03 -1.04 0.48 -1.10 -1.89 0.00 0.00 176.35 172.83 1o8r s GLN 22 N 4.00 1.61 -0.55 1.98 -0.21 -1.26 -5.10 119.66 120.13 1o8r s GLN 22 Ca 0.47 -1.34 0.07 0.00 0.02 0.00 0.00 55.36 54.57 1o8r s GLN 22 Cb -0.10 0.47 0.25 0.00 1.00 0.00 0.00 33.01 34.63 1o8r s GLN 22 CO 0.22 -0.67 0.68 0.39 -2.12 0.00 0.00 175.29 173.80 1o8r n GLU 23 N -0.41 1.95 -1.85 2.91 1.02 -1.26 -5.02 120.64 117.98 1o8r n GLU 23 Ca -0.01 -4.20 -0.41 0.00 -0.02 0.00 0.00 57.16 52.52 1o8r n GLU 23 Cb 0.62 -1.91 -0.02 0.00 -0.02 0.00 0.00 31.44 30.11 1o8r n GLU 23 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1o8r s PRO 24 N -2.10 4.16 0.37 3.49 0.05 -1.26 -4.90 135.00 134.81 1o8r s PRO 24 Ca 0.39 2.50 0.08 0.00 0.05 0.00 0.00 61.00 64.01 1o8r s PRO 24 Cb 0.16 -3.04 0.72 0.00 0.05 0.00 0.00 34.50 32.40 1o8r s PRO 24 CO -0.05 -0.56 1.90 1.96 0.05 0.00 0.00 177.00 180.30 1o8r h GLN 25 N 4.73 0.33 -6.98 4.56 4.20 -2.03 -3.46 115.11 116.46 1o8r h GLN 25 Ca -0.47 -0.07 -0.60 0.00 0.06 0.00 0.00 58.65 57.56 1o8r h GLN 25 Cb 1.22 -0.05 -0.10 0.00 0.30 0.00 0.00 27.48 28.85 1o8r h GLN 25 CO 0.77 0.43 -0.99 0.39 -0.67 0.00 0.00 178.83 178.77 1o8r n GLU 26 N -4.27 -0.69 -0.13 1.46 -0.58 -1.26 -4.82 120.64 110.35 1o8r n GLU 26 Ca -0.00 0.10 -0.09 0.00 -0.42 0.00 0.00 57.16 56.75 1o8r n GLU 26 Cb 0.26 -3.10 -0.00 0.00 -0.57 0.00 0.00 31.44 28.03 1o8r n GLU 26 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 1o8r h PRO 27 N -2.23 0.54 -4.53 3.49 0.13 -2.03 -3.45 132.00 123.92 1o8r h PRO 27 Ca -0.69 -0.06 -0.20 0.00 -0.87 0.00 0.00 66.00 64.19 1o8r h PRO 27 Cb 1.40 -0.11 -0.15 0.00 0.13 0.00 0.00 31.00 32.28 1o8r h PRO 27 CO 0.61 0.43 -0.68 1.03 -0.23 0.00 0.00 178.00 179.15 1o8r s ARG 28 N -5.90 0.81 0.23 0.86 0.52 -1.26 -5.11 118.95 109.09 1o8r s ARG 28 Ca -0.13 -1.33 -0.32 0.00 -0.52 0.00 0.00 55.73 53.43 1o8r s ARG 28 Cb 0.10 -0.06 -0.13 0.00 0.52 0.00 0.00 34.95 35.39 1o8r s ARG 28 CO 0.73 -0.07 1.59 1.33 0.02 0.00 0.00 175.30 178.89 1o8r n VAL 29 N -0.02 0.47 -2.05 3.52 0.24 -1.26 -4.98 118.33 114.24 1o8r n VAL 29 Ca -0.12 -0.12 -0.28 0.00 -2.04 0.00 0.00 64.34 61.79 1o8r n VAL 29 Cb 0.61 -1.76 0.13 0.00 -1.47 0.00 0.00 33.84 31.35 1o8r n VAL 29 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1o8r s GLY 30 N 0.74 1.71 0.16 7.63 0.00 -1.26 -4.97 107.32 111.32 1o8r s GLY 30 Ca 0.72 -1.06 -0.16 0.00 0.00 0.00 0.00 44.72 44.22 1o8r s GLY 30 CO 0.42 -0.46 1.81 0.50 0.00 0.00 0.00 173.10 175.36 1o8r h LYS 31 N -1.14 0.50 -3.31 2.90 1.57 -2.06 -3.43 116.57 111.59 1o8r h LYS 31 Ca -0.44 -0.03 -0.18 0.00 -1.87 0.00 0.00 60.65 58.13 1o8r h LYS 31 Cb 1.28 -0.11 -0.26 0.00 0.08 0.00 0.00 32.23 33.22 1o8r h LYS 31 CO 0.50 0.33 -0.51 -0.51 -0.57 0.00 0.00 179.45 178.69 1o8r s LEU 32 N -10.18 1.33 -0.69 2.94 1.43 -1.26 -5.06 118.68 107.19 1o8r s LEU 32 Ca -0.13 0.34 0.02 0.00 -1.03 0.00 0.00 54.13 53.33 1o8r s LEU 32 Cb 0.11 0.61 0.36 0.00 0.03 0.00 0.00 46.19 47.30 1o8r s LEU 32 CO 0.72 -0.07 1.43 0.54 0.23 0.00 0.00 176.35 179.20 1o8r n ARG 33 N 2.94 3.63 -5.13 1.70 1.74 -1.26 -5.00 116.66 115.28 1o8r n ARG 33 Ca -0.13 -4.40 -0.32 0.00 -0.77 0.00 0.00 57.85 52.23 1o8r n ARG 33 Cb 0.59 -2.30 -0.16 0.00 -1.02 0.00 0.00 32.46 29.57 1o8r n ARG 33 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1o8r s ASN 34 N -2.50 3.29 0.00 0.55 0.01 -1.26 -4.57 114.94 110.46 1o8r s ASN 34 Ca 0.47 -0.50 0.00 0.00 -0.71 0.00 0.00 52.86 52.13 1o8r s ASN 34 Cb 0.34 -1.35 0.00 0.00 0.41 0.00 0.00 41.25 40.65 1o8r s ASN 34 CO -0.22 0.18 0.00 0.33 -1.51 0.00 0.00 177.10 175.88 1o8r n PHE 35 N 3.40 0.00 -1.52 2.20 7.35 -1.23 -5.02 117.46 122.64 1o8r n PHE 35 Ca -0.19 0.00 -0.47 0.00 -0.76 0.00 0.00 57.45 56.04 1o8r n PHE 35 Cb 0.53 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.31 1o8r n PHE 35 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1o8r n ALA 36 N -0.15 1.42 -1.74 3.13 0.00 -1.26 -4.79 120.51 117.12 1o8r n ALA 36 Ca 0.00 -0.18 -0.19 0.00 0.00 0.00 0.00 53.44 53.08 1o8r n ALA 36 Cb 0.00 -2.75 -0.10 0.00 0.00 0.00 0.00 19.45 16.61 1o8r n ALA 36 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1o8r s PRO 37 N 6.37 1.58 0.20 0.00 0.05 -1.26 -4.32 135.00 137.62 1o8r s PRO 37 Ca 1.05 -0.57 0.00 0.00 0.05 0.00 0.00 61.00 61.54 1o8r s PRO 37 Cb -0.59 -5.04 0.00 0.00 0.05 0.00 0.00 34.50 28.92 1o8r s PRO 37 CO 0.42 -5.00 0.00 0.44 0.05 0.00 0.00 177.00 172.91 1o8r n ILE 38 N 8.67 0.00 -1.94 0.56 -0.00 -1.26 -4.66 119.36 120.72 1o8r n ILE 38 Ca 0.43 0.20 -0.40 0.00 -0.00 0.00 0.00 62.75 62.98 1o8r n ILE 38 Cb 0.47 -0.40 0.01 0.00 -0.00 0.00 0.00 39.64 39.71 1o8r n ILE 38 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 1o8r s PRO 39 N -3.06 3.83 0.00 6.28 0.05 -1.26 -4.85 135.00 135.98 1o8r s PRO 39 Ca 0.00 2.26 0.00 0.00 0.05 0.00 0.00 61.00 63.31 1o8r s PRO 39 Cb 0.00 -2.70 0.00 0.00 0.05 0.00 0.00 34.50 31.85 1o8r s PRO 39 CO 0.00 -0.65 0.00 0.41 0.05 0.00 0.00 177.00 176.81 1o8r n GLY 40 N 0.63 -0.22 3.64 0.56 0.00 -1.26 -5.07 105.19 103.47 1o8r n GLY 40 Ca 0.04 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.02 1o8r n GLY 40 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1o8r s GLU 41 N -0.34 0.52 0.14 1.61 -1.05 -1.26 -5.12 118.70 113.21 1o8r s GLU 41 Ca 0.00 0.92 -0.31 0.00 -0.15 0.00 0.00 54.97 55.43 1o8r s GLU 41 Cb 0.00 0.13 -0.10 0.00 -0.44 0.00 0.00 34.13 33.71 1o8r s GLU 41 CO 0.00 -0.11 1.79 -1.25 0.95 0.00 0.00 175.26 176.63 1o8r s PRO 42 N 1.53 4.14 -0.01 -4.83 0.04 -1.26 -4.96 135.00 129.65 1o8r s PRO 42 Ca -0.09 2.57 -0.01 0.00 0.04 0.00 0.00 61.00 63.51 1o8r s PRO 42 Cb -0.04 -3.48 0.01 0.00 0.04 0.00 0.00 34.50 31.02 1o8r s PRO 42 CO -0.17 -0.81 0.03 0.54 0.04 0.00 0.00 177.00 176.62 1o8r s VAL 43 N 2.37 -0.01 -0.48 -0.36 0.11 -1.26 -5.00 120.40 115.77 1o8r s VAL 43 Ca 0.79 0.03 0.06 0.00 -2.93 0.00 0.00 61.98 59.93 1o8r s VAL 43 Cb -0.46 -0.05 0.18 0.00 -1.53 0.00 0.00 36.38 34.52 1o8r s VAL 43 CO 0.35 0.01 0.63 -0.69 -3.33 0.00 0.00 175.10 172.07 1o8r s VAL 44 N 0.17 -0.70 0.00 2.04 1.01 -1.26 -4.42 120.40 117.23 1o8r s VAL 44 Ca -0.01 -1.28 0.00 0.00 0.00 0.00 0.00 61.98 60.69 1o8r s VAL 44 Cb -0.02 -0.29 0.00 0.00 0.00 0.00 0.00 36.38 36.07 1o8r s VAL 44 CO -0.00 -0.28 0.00 -2.65 0.00 0.00 0.00 175.10 172.16 1o8r n PRO 45 N 3.07 2.81 -0.27 2.72 -0.01 -1.26 -4.67 135.00 137.39 1o8r n PRO 45 Ca 0.20 0.00 0.09 0.00 -0.01 0.00 0.00 63.50 63.77 1o8r n PRO 45 Cb 0.54 0.00 0.33 0.00 -0.01 0.00 0.00 33.50 34.36 1o8r n PRO 45 CO 0.00 0.00 0.00 0.82 -0.01 0.00 0.00 175.50 176.31 1o8r h ILE 46 N 0.00 0.93 0.00 4.25 2.04 -2.00 -3.42 117.51 119.31 1o8r h ILE 46 Ca 0.00 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.58 1o8r h ILE 46 Cb 0.00 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.13 1o8r h ILE 46 CO 0.00 0.15 0.00 0.18 0.00 0.00 0.00 178.15 178.48 1o8r n LEU 47 N -4.54 0.00 -3.86 1.44 4.77 -1.26 -5.00 117.00 108.55 1o8r n LEU 47 Ca 0.16 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 56.01 1o8r n LEU 47 Cb 0.36 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.31 1o8r n LEU 47 CO 0.31 -0.10 -0.32 0.00 -1.33 0.00 0.00 177.39 175.95 1o8r h SER 49 N 6.07 0.18 -3.42 0.00 0.87 -1.93 -3.39 113.55 111.93 1o8r h SER 49 Ca -0.24 0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 59.75 1o8r h SER 49 Cb 1.21 -0.04 -0.07 0.00 -0.44 0.00 0.00 62.40 63.07 1o8r h SER 49 CO 0.49 0.13 0.86 0.20 -0.53 0.00 0.00 176.83 177.98 1o8r s ASN 50 N -5.35 6.85 0.02 6.23 0.02 -1.26 -4.87 114.94 116.59 1o8r s ASN 50 Ca -0.13 0.89 0.02 0.00 -1.02 0.00 0.00 52.86 52.62 1o8r s ASN 50 Cb 0.09 -2.54 0.11 0.00 0.02 0.00 0.00 41.25 38.92 1o8r s ASN 50 CO 0.69 -0.97 1.06 -2.65 0.02 0.00 0.00 177.10 175.25 1o8r n PRO 51 N 7.11 0.01 -2.31 -0.60 -0.01 -1.26 -1.97 135.00 135.97 1o8r n PRO 51 Ca 0.12 0.50 0.01 0.00 -0.01 0.00 0.00 63.50 64.12 1o8r n PRO 51 Cb 0.48 -1.53 0.04 0.00 -0.01 0.00 0.00 33.50 32.47 1o8r n PRO 51 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 175.50 175.58 1o8r n ASN 52 N -1.56 1.49 -3.13 2.55 5.03 -1.26 -5.07 115.26 113.32 1o8r n ASN 52 Ca 0.00 -2.11 -0.18 0.00 0.87 0.00 0.00 54.58 53.16 1o8r n ASN 52 Cb 0.01 -0.41 0.14 0.00 -1.02 0.00 0.00 39.78 38.49 1o8r n ASN 52 CO 0.00 0.00 0.00 2.22 -1.83 0.00 0.00 177.26 177.65 1o8r n PHE 53 N -0.24 -3.68 -0.97 3.10 -1.74 -0.83 -4.72 117.46 108.38 1o8r n PHE 53 Ca 0.08 -0.63 -0.29 0.00 -0.56 0.00 0.00 57.45 56.05 1o8r n PHE 53 Cb 0.92 -0.66 -0.11 0.00 1.52 0.00 0.00 39.48 41.16 1o8r n PHE 53 CO 0.00 0.00 0.00 -2.30 -0.56 0.00 0.00 176.76 173.90 1o8r n PRO 54 N -3.23 0.04 -0.42 3.97 -0.02 -1.26 -4.67 135.00 129.40 1o8r n PRO 54 Ca 0.09 -1.20 0.35 0.00 -2.02 0.00 0.00 63.50 60.72 1o8r n PRO 54 Cb 0.35 -2.96 0.63 0.00 -0.02 0.00 0.00 33.50 31.50 1o8r n PRO 54 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1o8r h GLU 55 N 10.50 0.11 0.00 -0.52 4.81 -1.96 2.15 114.58 129.67 1o8r h GLU 55 Ca 0.14 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1o8r h GLU 55 Cb 0.82 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.17 1o8r h GLU 55 CO 1.53 0.08 0.36 1.49 -0.73 0.00 0.00 179.01 181.73 1o8r h GLU 56 N 0.12 0.00 -0.59 1.92 4.81 -2.00 1.77 114.58 120.60 1o8r h GLU 56 Ca 0.80 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 60.03 1o8r h GLU 56 Cb 2.43 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.81 1o8r h GLU 56 CO -0.43 0.00 0.00 1.28 -0.73 0.00 0.00 179.01 179.13 1o8r n LEU 57 N -2.74 3.38 -0.37 1.64 4.32 0.73 -4.51 117.00 119.45 1o8r n LEU 57 Ca -0.02 -1.70 0.03 0.00 -0.02 0.00 0.00 56.01 54.30 1o8r n LEU 57 Cb 0.40 -0.46 0.09 0.00 -1.62 0.00 0.00 43.42 41.83 1o8r n LEU 57 CO 0.12 0.63 0.62 0.11 -1.22 0.00 0.00 177.39 177.65 1o8r h LYS 58 N 2.95 -0.00 -0.55 3.23 1.57 0.26 0.82 116.57 124.86 1o8r h LYS 58 Ca 0.00 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.85 1o8r h LYS 58 Cb 1.02 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.27 1o8r h LYS 58 CO 0.13 -0.00 0.21 -1.35 -0.57 0.00 0.00 179.45 177.88 1o8r h PRO 59 N -0.00 0.40 -0.69 3.15 0.10 -1.82 -0.89 132.00 132.25 1o8r h PRO 59 Ca 0.41 -0.02 0.15 0.00 0.10 0.00 0.00 66.00 66.64 1o8r h PRO 59 Cb 0.66 -0.09 -0.11 0.00 0.10 0.00 0.00 31.00 31.56 1o8r h PRO 59 CO -1.01 0.26 0.07 1.25 0.10 0.00 0.00 178.00 178.67 1o8r h LEU 60 N 0.41 -0.18 -1.34 2.35 5.85 0.33 0.62 115.31 123.35 1o8r h LEU 60 Ca 0.26 0.16 -0.06 0.00 0.84 0.00 0.00 57.88 59.08 1o8r h LEU 60 Cb 0.28 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 1o8r h LEU 60 CO -0.25 -0.10 -0.30 0.00 -0.34 0.00 0.00 178.44 177.45 1o8r n LYS 62 N -3.78 1.49 -4.65 0.00 5.02 0.20 -4.83 118.16 111.61 1o8r n LYS 62 Ca -0.01 -0.74 -0.28 0.00 -2.02 0.00 0.00 58.31 55.26 1o8r n LYS 62 Cb 0.39 -1.34 -0.14 0.00 -0.02 0.00 0.00 35.03 33.92 1o8r n LYS 62 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1o8r s GLU 63 N -1.84 1.51 0.52 1.97 -1.05 -0.21 -5.00 118.70 114.59 1o8r s GLU 63 Ca 0.29 -1.11 0.35 0.00 -0.15 0.00 0.00 54.97 54.35 1o8r s GLU 63 Cb 0.15 -1.74 1.83 0.00 -0.44 0.00 0.00 34.13 33.93 1o8r s GLU 63 CO 0.23 0.44 2.06 -1.35 0.95 0.00 0.00 175.26 177.59 1o8r h PRO 64 N 4.56 0.00 0.00 -4.83 0.11 -1.88 -1.21 132.00 128.75 1o8r h PRO 64 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1o8r h PRO 64 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1o8r h PRO 64 CO 0.42 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.30 1o8r n ASN 65 N -2.76 0.36 -0.35 -2.05 5.03 -1.26 -3.69 115.26 110.54 1o8r n ASN 65 Ca -0.02 0.53 0.16 0.00 0.87 0.00 0.00 54.58 56.12 1o8r n ASN 65 Cb 0.09 -0.63 0.36 0.00 -1.02 0.00 0.00 39.78 38.59 1o8r n ASN 65 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1o8r h ALA 66 N 2.78 1.77 -0.62 5.41 0.00 -1.23 0.29 119.26 127.66 1o8r h ALA 66 Ca 0.00 0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.06 1o8r h ALA 66 Cb 0.60 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 1o8r h ALA 66 CO 0.00 -0.19 0.33 0.37 0.00 0.00 0.00 179.25 179.76 1o8r h GLN 67 N 0.66 0.60 0.13 0.00 4.15 -1.80 0.47 115.11 119.32 1o8r h GLN 67 Ca 0.61 -0.04 -0.28 0.00 0.77 0.00 0.00 58.65 59.71 1o8r h GLN 67 Cb 1.08 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.64 1o8r h GLN 67 CO -0.41 0.40 -1.26 0.93 -1.93 0.00 0.00 178.83 176.55 1o8r h GLU 68 N 0.62 0.27 -0.06 1.69 5.08 -1.16 -3.31 114.58 117.71 1o8r h GLU 68 Ca 0.28 -0.47 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 1o8r h GLU 68 Cb 0.18 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 1o8r h GLU 68 CO -0.18 1.22 -0.04 0.82 -1.00 0.00 0.00 179.01 179.83 1o8r h ILE 69 N 0.07 1.35 -0.33 3.13 2.04 -0.18 -2.99 117.51 120.60 1o8r h ILE 69 Ca -0.14 -1.12 0.04 0.00 1.00 0.00 0.00 64.86 64.63 1o8r h ILE 69 Cb 1.98 1.97 -0.06 0.00 -0.74 0.00 0.00 36.82 39.97 1o8r h ILE 69 CO 0.20 0.31 -0.37 0.25 0.00 0.00 0.00 178.15 178.54 1o8r h LEU 70 N -0.28 -1.25 -0.45 1.44 7.12 -0.19 0.17 115.31 121.88 1o8r h LEU 70 Ca 0.01 0.17 0.09 0.00 0.13 0.00 0.00 57.88 58.28 1o8r h LEU 70 Cb 0.51 0.52 -0.10 0.00 -0.53 0.00 0.00 40.66 41.06 1o8r h LEU 70 CO 0.01 -0.24 -0.27 -0.61 -0.13 0.00 0.00 178.44 177.20 1o8r h GLN 71 N -0.22 -0.17 0.07 1.25 4.15 -1.65 -1.07 115.11 117.47 1o8r h GLN 71 Ca 0.06 0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.51 1o8r h GLN 71 Cb 0.37 0.04 -0.05 0.00 0.21 0.00 0.00 27.48 28.05 1o8r h GLN 71 CO -0.42 -0.12 -0.46 0.00 -1.93 0.00 0.00 178.83 175.90 1o8r h ARG 72 N -0.18 -0.64 -0.72 1.69 3.08 -1.08 -1.30 114.38 115.23 1o8r h ARG 72 Ca 0.20 0.04 0.16 0.00 0.07 0.00 0.00 59.98 60.45 1o8r h ARG 72 Cb 0.50 0.14 -0.13 0.00 0.08 0.00 0.00 29.97 30.57 1o8r h ARG 72 CO -0.55 -0.42 -0.08 -0.07 -1.07 0.00 0.00 179.97 177.78 1o8r h LEU 73 N -0.66 -0.49 -0.96 3.04 3.38 0.09 0.43 115.31 120.14 1o8r h LEU 73 Ca 0.02 0.20 0.12 0.00 0.09 0.00 0.00 57.88 58.31 1o8r h LEU 73 Cb 0.70 0.38 -0.08 0.00 0.09 0.00 0.00 40.66 41.75 1o8r h LEU 73 CO -0.29 -0.20 0.59 -0.33 0.09 0.00 0.00 178.44 178.30 1o8r h GLU 74 N 0.05 0.91 0.44 1.13 5.08 -0.15 0.37 114.58 122.41 1o8r h GLU 74 Ca 0.37 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.66 1o8r h GLU 74 Cb 0.62 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1o8r h GLU 74 CO -0.69 0.60 -0.21 0.93 -1.00 0.00 0.00 179.01 178.64 1o8r h GLU 75 N 0.94 -0.57 -0.61 2.33 5.08 0.80 -2.05 114.58 120.49 1o8r h GLU 75 Ca 0.47 0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.84 1o8r h GLU 75 Cb 0.47 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 1o8r h GLU 75 CO -0.27 -0.34 0.25 0.82 -1.00 0.00 0.00 179.01 178.48 1o8r h ILE 76 N -0.69 1.23 -0.95 3.13 2.04 -0.92 -2.17 117.51 119.19 1o8r h ILE 76 Ca -0.06 -0.71 0.19 0.00 1.00 0.00 0.00 64.86 65.28 1o8r h ILE 76 Cb 0.50 0.56 -0.08 0.00 -0.74 0.00 0.00 36.82 37.06 1o8r h ILE 76 CO 0.10 0.28 0.61 0.00 0.00 0.00 0.00 178.15 179.13 1o8r h ALA 77 N 1.09 1.95 -0.47 1.87 0.00 -0.16 0.11 119.26 123.66 1o8r h ALA 77 Ca 0.20 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 1o8r h ALA 77 Cb 0.20 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1o8r h ALA 77 CO -0.02 -0.27 0.02 1.49 0.00 0.00 0.00 179.25 180.48 1o8r h GLU 78 N 0.59 0.82 -3.77 0.00 4.81 -0.71 -3.37 114.58 112.96 1o8r h GLU 78 Ca 0.51 -0.25 -0.13 0.00 -0.13 0.00 0.00 59.36 59.36 1o8r h GLU 78 Cb 1.01 -0.08 -0.18 0.00 0.63 0.00 0.00 28.75 30.12 1o8r h GLU 78 CO -0.26 0.86 -0.53 -0.51 -0.73 0.00 0.00 179.01 177.83 1o8r s ASP 79 N -6.29 0.16 0.01 1.04 1.11 0.03 -3.52 116.67 109.20 1o8r s ASP 79 Ca -0.13 -0.48 -0.06 0.00 0.18 0.00 0.00 52.55 52.07 1o8r s ASP 79 Cb 0.11 0.21 -0.03 0.00 1.07 0.00 0.00 42.92 44.28 1o8r s ASP 79 CO 0.81 -0.47 0.99 1.55 1.18 0.00 0.00 175.17 179.23 1o8r h PRO 80 N 3.85 -0.20 0.00 8.23 0.14 -1.88 -3.39 132.00 138.75 1o8r h PRO 80 Ca -0.32 0.01 0.00 0.00 0.14 0.00 0.00 66.00 65.83 1o8r h PRO 80 Cb 1.19 0.04 0.00 0.00 0.14 0.00 0.00 31.00 32.37 1o8r h PRO 80 CO 0.48 -0.13 0.00 0.41 0.14 0.00 0.00 178.00 178.90 1o8r n GLY 81 N -0.81 0.52 0.18 1.56 0.00 -1.26 -3.66 105.19 101.72 1o8r n GLY 81 Ca -0.03 -1.12 0.08 0.00 0.00 0.00 0.00 46.02 44.96 1o8r n GLY 81 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1o8r h THR 82 N 0.00 0.32 -0.16 2.61 1.35 -1.96 -3.33 112.91 111.74 1o8r h THR 82 Ca 0.00 -1.46 0.03 0.00 -0.55 0.00 0.00 66.41 64.43 1o8r h THR 82 Cb 0.00 2.11 -0.03 0.00 -1.73 0.00 0.00 68.15 68.49 1o8r h THR 82 CO 0.00 0.18 -0.05 0.00 -0.25 0.00 0.00 175.52 175.40 1o8r h GLU 84 N -0.03 0.00 -0.63 0.00 4.81 -1.73 -1.98 114.58 115.03 1o8r h GLU 84 Ca 0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1o8r h GLU 84 Cb 0.15 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1o8r h GLU 84 CO -0.18 0.12 0.00 0.44 -0.73 0.00 0.00 179.01 178.66 1o8r n ILE 85 N -4.00 1.47 -1.13 2.32 -5.35 -0.58 -4.91 119.36 107.17 1o8r n ILE 85 Ca -0.02 -1.14 -0.07 0.00 -0.27 0.00 0.00 62.75 61.25 1o8r n ILE 85 Cb 0.21 0.29 -0.03 0.00 -1.74 0.00 0.00 39.64 38.36 1o8r n ILE 85 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1o8r h ALA 87 N 0.08 1.09 -2.34 0.00 0.00 -1.19 -3.44 119.26 113.45 1o8r h ALA 87 Ca -0.14 -0.03 -0.34 0.00 0.00 0.00 0.00 54.91 54.40 1o8r h ALA 87 Cb 1.01 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.65 1o8r h ALA 87 CO 0.20 0.04 -0.62 -0.47 0.00 0.00 0.00 179.25 178.41 1o8r s TYR 88 N -4.02 1.48 -2.00 0.00 6.14 -1.23 -5.01 117.35 112.71 1o8r s TYR 88 Ca -0.02 -1.18 0.20 0.00 0.64 0.00 0.00 57.07 56.71 1o8r s TYR 88 Cb 0.12 -0.86 1.20 0.00 0.42 0.00 0.00 41.96 42.84 1o8r s TYR 88 CO 0.51 -0.35 1.61 0.00 0.64 0.00 0.00 175.55 177.96 1o8r n ALA 89 N -0.43 2.33 -0.37 3.97 0.00 -1.26 -3.55 120.51 121.21 1o8r n ALA 89 Ca -0.00 -0.13 0.01 0.00 0.00 0.00 0.00 53.44 53.32 1o8r n ALA 89 Cb 0.66 -1.33 0.15 0.00 0.00 0.00 0.00 19.45 18.94 1o8r n ALA 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1o8r h ALA 90 N 3.31 1.36 -3.01 0.00 0.00 -1.92 -3.40 119.26 115.60 1o8r h ALA 90 Ca 0.00 -0.05 -0.64 0.00 0.00 0.00 0.00 54.91 54.22 1o8r h ALA 90 Cb 0.00 -0.35 -0.20 0.00 0.00 0.00 0.00 17.79 17.24 1o8r h ALA 90 CO 0.00 0.54 -0.59 0.00 0.00 0.00 0.00 179.25 179.20 1o8r s THR 92 N 1.38 2.92 0.00 0.00 -4.23 -0.21 -4.49 115.64 111.01 1o8r s THR 92 Ca 0.06 -1.07 0.00 0.00 -1.18 0.00 0.00 61.69 59.50 1o8r s THR 92 Cb -0.15 -2.99 0.00 0.00 1.34 0.00 0.00 72.50 70.71 1o8r s THR 92 CO 0.05 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.74 1o8r n GLY 93 N -1.80 0.76 0.00 3.99 0.00 -1.26 -2.27 105.19 104.61 1o8r n GLY 93 Ca 0.07 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.20 1o8r n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32