#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 1.64 -0.37 3.34 2.01 -1.24 -4.96 115.64 116.06 1o8r s THR 2 Ca 0.00 -1.65 -0.22 0.00 0.31 0.00 0.00 61.69 60.13 1o8r s THR 2 Cb 0.00 -1.59 0.01 0.00 0.01 0.00 0.00 72.50 70.93 1o8r s THR 2 CO 0.00 -0.19 0.73 -0.69 -0.69 0.00 0.00 174.62 173.78 1o8r s VAL 3 N -1.54 4.78 -0.26 3.82 1.01 -0.28 -1.93 120.40 126.00 1o8r s VAL 3 Ca 0.08 0.73 -0.06 0.00 0.00 0.00 0.00 61.98 62.74 1o8r s VAL 3 Cb -0.08 -4.18 -0.01 0.00 0.00 0.00 0.00 36.38 32.11 1o8r s VAL 3 CO 0.05 -0.43 0.04 -1.58 0.00 0.00 0.00 175.10 173.18 1o8r s GLN 4 N 2.99 3.35 0.00 2.72 0.74 -0.81 -0.37 119.66 128.28 1o8r s GLN 4 Ca 0.29 -0.67 0.23 0.00 0.05 0.00 0.00 55.36 55.26 1o8r s GLN 4 Cb -0.13 -3.23 0.50 0.00 1.10 0.00 0.00 33.01 31.24 1o8r s GLN 4 CO 0.17 -0.29 1.45 -0.40 -0.55 0.00 0.00 175.29 175.67 1o8r n ASP 5 N 4.86 3.48 0.00 6.67 5.68 -1.25 -4.84 116.55 131.14 1o8r n ASP 5 Ca -0.16 -1.98 0.00 0.00 -0.50 0.00 0.00 54.79 52.14 1o8r n ASP 5 Cb 0.50 -0.31 0.00 0.00 -1.14 0.00 0.00 41.12 40.17 1o8r n ASP 5 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1o8r n GLY 6 N 1.53 1.70 0.00 6.12 0.00 -1.26 -4.96 105.19 108.32 1o8r n GLY 6 Ca 0.21 -0.09 0.10 0.00 0.00 0.00 0.00 46.02 46.24 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 0.00 -4.31 1.61 3.02 -1.26 -4.76 115.26 109.55 1o8r n ASN 7 Ca 0.00 -1.36 -0.31 0.00 -0.03 0.00 0.00 54.58 52.89 1o8r n ASN 7 Cb 0.00 0.00 -0.16 0.00 -0.61 0.00 0.00 39.78 39.01 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 -2.00 2.30 -0.12 3.10 0.40 -1.26 -5.11 117.98 115.30 1o8r s PHE 8 Ca 0.30 -0.43 -0.23 0.00 -0.60 0.00 0.00 56.93 55.97 1o8r s PHE 8 Cb 0.14 -1.46 -0.03 0.00 0.51 0.00 0.00 43.02 42.18 1o8r s PHE 8 CO 0.23 -0.01 0.72 0.45 0.70 0.00 0.00 175.22 177.31 1o8r s SER 9 N -0.72 6.92 -0.11 1.36 0.15 -1.26 -3.96 113.70 116.07 1o8r s SER 9 Ca 0.10 1.11 0.02 0.00 0.70 0.00 0.00 55.95 57.88 1o8r s SER 9 Cb -0.10 -2.41 -0.01 0.00 -1.71 0.00 0.00 66.02 61.79 1o8r s SER 9 CO -0.00 -0.22 -0.18 -0.36 1.20 0.00 0.00 173.24 173.68 1o8r s PHE 10 N 1.35 2.69 0.90 3.44 0.08 0.50 -4.97 117.98 121.97 1o8r s PHE 10 Ca 0.36 -0.83 -0.14 0.00 0.12 0.00 0.00 56.93 56.43 1o8r s PHE 10 Cb -0.17 -1.78 0.15 0.00 -0.57 0.00 0.00 43.02 40.65 1o8r s PHE 10 CO 0.15 -0.31 1.26 -1.54 -0.10 0.00 0.00 175.22 174.68 1o8r s SER 11 N 0.34 3.71 0.00 1.36 1.04 -1.26 -1.13 113.70 117.76 1o8r s SER 11 Ca -0.15 0.48 0.22 0.00 0.48 0.00 0.00 55.95 56.98 1o8r s SER 11 Cb -0.17 -0.72 -0.13 0.00 0.10 0.00 0.00 66.02 65.10 1o8r s SER 11 CO 0.07 -2.38 0.98 0.18 0.98 0.00 0.00 173.24 173.07 1o8r n LEU 12 N -3.58 1.42 0.00 2.42 7.99 -1.26 -4.38 117.00 119.62 1o8r n LEU 12 Ca 0.12 -0.60 0.00 0.00 -0.01 0.00 0.00 56.01 55.52 1o8r n LEU 12 Cb 0.60 -0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.91 1o8r n LEU 12 CO 0.51 0.30 0.27 1.21 -1.51 0.00 0.00 177.39 178.16 1o8r n GLU 13 N -0.90 0.00 -0.11 3.23 2.13 -1.26 -1.66 120.64 122.08 1o8r n GLU 13 Ca 0.06 0.44 -0.05 0.00 0.66 0.00 0.00 57.16 58.26 1o8r n GLU 13 Cb 0.39 -1.22 0.01 0.00 0.27 0.00 0.00 31.44 30.88 1o8r n GLU 13 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 1o8r h SER 14 N 0.00 -0.45 -0.31 4.31 0.02 -1.94 -0.47 113.55 114.71 1o8r h SER 14 Ca 0.00 0.12 0.05 0.00 -0.84 0.00 0.00 61.79 61.12 1o8r h SER 14 Cb 0.00 0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.77 1o8r h SER 14 CO 0.00 -0.16 0.04 -0.37 -1.14 0.00 0.00 176.83 175.20 1o8r h VAL 15 N -0.05 0.83 0.00 2.27 -1.51 -1.76 1.38 116.25 117.41 1o8r h VAL 15 Ca 0.18 -0.05 0.03 0.00 -1.23 0.00 0.00 66.70 65.63 1o8r h VAL 15 Cb 0.33 0.67 -0.03 0.00 -2.13 0.00 0.00 31.29 30.12 1o8r h VAL 15 CO -0.41 0.03 -0.18 0.50 -1.23 0.00 0.00 177.57 176.28 1o8r h LYS 16 N 0.15 -0.29 -0.28 5.19 3.64 -0.57 0.24 116.57 124.66 1o8r h LYS 16 Ca 0.15 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1o8r h LYS 16 Cb 0.17 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1o8r h LYS 16 CO -0.21 -0.19 0.00 1.63 -2.27 0.00 0.00 179.45 178.41 1o8r n LYS 17 N -5.31 1.05 0.08 1.90 4.76 -0.25 -4.02 118.16 116.37 1o8r n LYS 17 Ca -0.05 -0.07 -0.13 0.00 -2.87 0.00 0.00 58.31 55.19 1o8r n LYS 17 Cb 0.23 -1.15 -0.08 0.00 -1.84 0.00 0.00 35.03 32.19 1o8r n LYS 17 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1o8r h LEU 18 N 0.10 -0.11 -1.36 -0.35 5.85 0.54 -2.45 115.31 117.53 1o8r h LEU 18 Ca 0.00 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 1o8r h LEU 18 Cb 0.16 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1o8r h LEU 18 CO 0.00 -0.01 0.06 0.11 -0.34 0.00 0.00 178.44 178.26 1o8r h LYS 19 N -0.20 0.48 -3.66 1.25 1.57 -1.72 -3.37 116.57 110.91 1o8r h LYS 19 Ca -0.01 -0.08 -0.59 0.00 -1.87 0.00 0.00 60.65 58.10 1o8r h LYS 19 Cb 0.16 -0.08 -0.40 0.00 0.08 0.00 0.00 32.23 31.99 1o8r h LYS 19 CO 0.02 0.47 -0.75 0.34 -0.57 0.00 0.00 179.45 178.95 1o8r s ASP 20 N -6.75 4.07 -0.19 0.86 2.15 -0.96 -5.11 116.67 110.74 1o8r s ASP 20 Ca -0.07 -1.66 -0.15 0.00 0.43 0.00 0.00 52.55 51.10 1o8r s ASP 20 Cb 0.16 -0.93 -0.04 0.00 -0.30 0.00 0.00 42.92 41.81 1o8r s ASP 20 CO 0.75 -0.41 0.35 -0.22 -0.17 0.00 0.00 175.17 175.47 1o8r s LEU 21 N 1.56 4.18 0.06 -1.34 2.96 -0.97 -4.61 118.68 120.52 1o8r s LEU 21 Ca 0.09 0.49 0.04 0.00 -0.22 0.00 0.00 54.13 54.53 1o8r s LEU 21 Cb -0.17 -2.44 -0.03 0.00 0.50 0.00 0.00 46.19 44.05 1o8r s LEU 21 CO -0.23 -0.01 -0.11 -1.10 -1.32 0.00 0.00 176.35 173.58 1o8r s GLN 22 N 1.01 0.70 -0.04 1.98 -0.21 -1.26 -4.96 119.66 116.88 1o8r s GLN 22 Ca 0.17 -0.89 -0.00 0.00 0.02 0.00 0.00 55.36 54.66 1o8r s GLN 22 Cb -0.14 -0.56 0.00 0.00 1.00 0.00 0.00 33.01 33.31 1o8r s GLN 22 CO 0.07 0.11 0.01 0.39 -2.12 0.00 0.00 175.29 173.75 1o8r n GLU 23 N 1.27 -0.96 -0.42 2.91 1.02 -1.26 -4.37 120.64 118.83 1o8r n GLU 23 Ca -0.21 1.17 -0.29 0.00 -0.02 0.00 0.00 57.16 57.81 1o8r n GLU 23 Cb 0.55 -1.56 0.26 0.00 -0.02 0.00 0.00 31.44 30.67 1o8r n GLU 23 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1o8r n PRO 24 N 1.49 -3.13 -3.43 3.49 -0.01 -1.26 -2.69 135.00 129.45 1o8r n PRO 24 Ca -0.01 -0.90 -0.18 0.00 -0.01 0.00 0.00 63.50 62.40 1o8r n PRO 24 Cb 0.35 -2.02 0.08 0.00 -0.01 0.00 0.00 33.50 31.90 1o8r n PRO 24 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 175.50 176.53 1o8r n GLN 25 N -4.81 -5.06 -2.74 -0.52 6.02 -1.26 -4.23 117.38 104.78 1o8r n GLN 25 Ca 0.05 0.81 -0.03 0.00 -0.01 0.00 0.00 57.00 57.82 1o8r n GLN 25 Cb 0.56 -5.70 -0.02 0.00 1.02 0.00 0.00 30.24 26.09 1o8r n GLN 25 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1o8r n GLU 26 N -3.92 -3.05 0.32 -1.09 1.02 -1.26 -4.75 120.64 107.93 1o8r n GLU 26 Ca -0.23 2.38 0.21 0.00 -0.02 0.00 0.00 57.16 59.51 1o8r n GLU 26 Cb 0.66 -3.05 1.09 0.00 -0.02 0.00 0.00 31.44 30.12 1o8r n GLU 26 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1o8r h PRO 27 N 4.53 0.00 -5.92 3.49 0.14 -1.68 -3.46 132.00 129.10 1o8r h PRO 27 Ca -0.27 0.00 -0.37 0.00 0.14 0.00 0.00 66.00 65.50 1o8r h PRO 27 Cb 0.60 0.00 0.11 0.00 0.14 0.00 0.00 31.00 31.85 1o8r h PRO 27 CO 0.00 0.00 -0.85 0.54 0.14 0.00 0.00 178.00 177.84 1o8r n ARG 28 N -3.11 -3.82 -4.15 0.86 1.74 -1.26 -5.00 116.66 101.93 1o8r n ARG 28 Ca -0.02 0.67 -0.15 0.00 -0.77 0.00 0.00 57.85 57.58 1o8r n ARG 28 Cb 0.13 -5.21 -0.13 0.00 -1.02 0.00 0.00 32.46 26.23 1o8r n ARG 28 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1o8r s VAL 29 N -3.53 0.51 0.00 1.55 0.11 -1.26 -5.06 120.40 112.73 1o8r s VAL 29 Ca 0.20 -0.57 0.00 0.00 -2.93 0.00 0.00 61.98 58.68 1o8r s VAL 29 Cb -0.05 -0.49 0.00 0.00 -1.53 0.00 0.00 36.38 34.31 1o8r s VAL 29 CO 0.80 -0.05 0.00 0.61 -3.33 0.00 0.00 175.10 173.12 1o8r n GLY 30 N 2.38 0.47 0.30 6.54 0.00 -1.26 -4.91 105.19 108.72 1o8r n GLY 30 Ca -0.17 -1.09 -0.04 0.00 0.00 0.00 0.00 46.02 44.73 1o8r n GLY 30 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1o8r h LYS 31 N 0.00 1.03 -6.68 1.61 3.64 -2.03 -3.42 116.57 110.72 1o8r h LYS 31 Ca 0.00 -0.06 -0.70 0.00 -1.27 0.00 0.00 60.65 58.62 1o8r h LYS 31 Cb 0.00 -0.23 -0.27 0.00 -0.41 0.00 0.00 32.23 31.32 1o8r h LYS 31 CO 0.00 0.68 -0.87 -0.51 -2.27 0.00 0.00 179.45 176.48 1o8r s LEU 32 N -10.14 2.21 -0.75 5.20 1.43 -1.26 -5.03 118.68 110.34 1o8r s LEU 32 Ca -0.13 -0.53 -0.05 0.00 -1.03 0.00 0.00 54.13 52.39 1o8r s LEU 32 Cb 0.15 -1.33 0.07 0.00 0.03 0.00 0.00 46.19 45.11 1o8r s LEU 32 CO 0.78 0.28 2.68 0.54 0.23 0.00 0.00 176.35 180.86 1o8r n ARG 33 N 1.92 3.17 -3.79 1.70 1.74 -1.26 -4.90 116.66 115.25 1o8r n ARG 33 Ca -0.17 -2.68 -0.36 0.00 -0.77 0.00 0.00 57.85 53.87 1o8r n ARG 33 Cb 0.52 -2.32 -0.13 0.00 -1.02 0.00 0.00 32.46 29.51 1o8r n ARG 33 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1o8r s ASN 34 N 0.45 4.95 -0.32 0.55 2.47 -1.26 -4.47 114.94 117.31 1o8r s ASN 34 Ca 0.58 -0.46 0.04 0.00 0.42 0.00 0.00 52.86 53.43 1o8r s ASN 34 Cb 0.31 -1.86 0.19 0.00 -1.45 0.00 0.00 41.25 38.44 1o8r s ASN 34 CO -0.17 -0.10 0.68 0.12 -3.72 0.00 0.00 177.10 173.91 1o8r s PHE 35 N 1.54 -1.59 -0.99 0.43 5.36 -1.26 -5.06 117.98 116.41 1o8r s PHE 35 Ca 0.05 0.74 -0.27 0.00 -0.96 0.00 0.00 56.93 56.48 1o8r s PHE 35 Cb -0.16 0.28 -0.24 0.00 -0.34 0.00 0.00 43.02 42.56 1o8r s PHE 35 CO 0.02 -0.97 2.60 0.00 -1.46 0.00 0.00 175.22 175.41 1o8r n ALA 36 N 5.06 0.42 0.30 11.12 0.00 -1.26 -4.67 120.51 131.48 1o8r n ALA 36 Ca 0.07 -0.36 0.06 0.00 0.00 0.00 0.00 53.44 53.21 1o8r n ALA 36 Cb 0.56 -2.28 0.28 0.00 0.00 0.00 0.00 19.45 18.01 1o8r n ALA 36 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1o8r n PRO 37 N 7.98 0.05 -2.81 0.00 -0.05 -1.26 -4.93 135.00 133.98 1o8r n PRO 37 Ca 0.66 0.40 -0.02 0.00 -0.05 0.00 0.00 63.50 64.49 1o8r n PRO 37 Cb 0.05 -1.61 0.00 0.00 -0.05 0.00 0.00 33.50 31.88 1o8r n PRO 37 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 175.50 174.56 1o8r n ILE 38 N -1.71-10.48 -0.61 0.52 5.41 -1.26 -4.94 119.36 106.29 1o8r n ILE 38 Ca 0.02 1.55 -0.30 0.00 1.00 0.00 0.00 62.75 65.02 1o8r n ILE 38 Cb 0.11 -6.39 0.21 0.00 -0.71 0.00 0.00 39.64 32.87 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 -1.66 -0.04 0.00 0.38 0.04 -1.26 -4.27 135.00 128.19 1o8r s PRO 39 Ca 0.03 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.24 1o8r s PRO 39 Cb -0.01 -1.63 0.00 0.00 0.04 0.00 0.00 34.50 32.90 1o8r s PRO 39 CO 0.68 -3.23 0.00 0.41 0.04 0.00 0.00 177.00 174.90 1o8r n GLY 40 N 0.53 1.08 2.82 0.56 0.00 -1.26 -5.04 105.19 103.88 1o8r n GLY 40 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 1o8r n GLY 40 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1o8r s GLU 41 N -0.75 2.07 0.33 1.61 8.01 -1.26 -5.09 118.70 123.63 1o8r s GLU 41 Ca 0.00 -2.96 -0.29 0.00 0.01 0.00 0.00 54.97 51.73 1o8r s GLU 41 Cb 0.00 -3.03 -0.11 0.00 -4.31 0.00 0.00 34.13 26.68 1o8r s GLU 41 CO 0.00 -1.26 1.51 -1.25 0.01 0.00 0.00 175.26 174.26 1o8r s PRO 42 N -0.92 4.15 -0.49 0.39 0.04 -1.26 -4.94 135.00 131.97 1o8r s PRO 42 Ca 0.24 2.52 0.04 0.00 0.04 0.00 0.00 61.00 63.84 1o8r s PRO 42 Cb -0.08 -3.01 0.41 0.00 0.04 0.00 0.00 34.50 31.86 1o8r s PRO 42 CO -0.13 -0.53 1.23 1.33 0.04 0.00 0.00 177.00 178.94 1o8r n VAL 43 N 1.31 2.53 -2.73 -0.36 0.24 -1.26 -4.73 118.33 113.33 1o8r n VAL 43 Ca 0.04 -4.82 -0.09 0.00 -2.04 0.00 0.00 64.34 57.43 1o8r n VAL 43 Cb 0.39 -1.26 0.07 0.00 -1.47 0.00 0.00 33.84 31.57 1o8r n VAL 43 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 1o8r n VAL 44 N -0.50 0.31 0.20 3.34 0.24 -1.26 0.22 118.33 120.88 1o8r n VAL 44 Ca 0.41 -2.28 0.12 0.00 -2.04 0.00 0.00 64.34 60.55 1o8r n VAL 44 Cb 0.62 0.84 0.63 0.00 -1.47 0.00 0.00 33.84 34.47 1o8r n VAL 44 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 1o8r h PRO 45 N 2.54 0.00 0.00 7.34 0.10 -1.90 -3.40 132.00 136.68 1o8r h PRO 45 Ca -0.17 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.93 1o8r h PRO 45 Cb 1.21 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.31 1o8r h PRO 45 CO 0.19 0.00 0.00 1.51 0.10 0.00 0.00 178.00 179.80 1o8r n ILE 46 N -2.36 0.00 -2.77 4.15 3.06 -1.26 -5.04 119.36 115.14 1o8r n ILE 46 Ca -0.02 0.00 -0.09 0.00 -2.50 0.00 0.00 62.75 60.15 1o8r n ILE 46 Cb 0.13 0.00 0.04 0.00 0.54 0.00 0.00 39.64 40.36 1o8r n ILE 46 CO 0.00 0.00 0.00 -0.11 -2.50 0.00 0.00 176.55 173.94 1o8r n LEU 47 N -0.00 -2.76 -2.73 9.51 7.94 -1.26 -4.95 117.00 122.75 1o8r n LEU 47 Ca 0.00 -3.38 -0.01 0.00 -1.11 0.00 0.00 56.01 51.51 1o8r n LEU 47 Cb 0.00 0.83 -0.01 0.00 0.53 0.00 0.00 43.42 44.77 1o8r n LEU 47 CO 0.00 2.00 -0.15 0.00 -1.11 0.00 0.00 177.39 178.14 1o8r h SER 49 N 4.65 -0.53 -3.60 0.00 0.87 -0.58 -3.37 113.55 111.00 1o8r h SER 49 Ca -0.10 0.13 -0.56 0.00 -1.23 0.00 0.00 61.79 60.02 1o8r h SER 49 Cb 0.22 0.29 -0.07 0.00 -0.44 0.00 0.00 62.40 62.41 1o8r h SER 49 CO 0.00 -0.19 0.90 0.20 -0.53 0.00 0.00 176.83 177.21 1o8r s ASN 50 N -5.14 6.72 0.21 6.23 -0.87 -1.26 -4.87 114.94 115.96 1o8r s ASN 50 Ca -0.14 0.63 0.17 0.00 -1.57 0.00 0.00 52.86 51.96 1o8r s ASN 50 Cb 0.14 -2.55 0.85 0.00 -0.02 0.00 0.00 41.25 39.67 1o8r s ASN 50 CO 0.70 -1.14 1.54 -0.81 -2.57 0.00 0.00 177.10 174.81 1o8r n PRO 51 N 7.56 0.12 -0.75 -0.60 -0.05 -1.26 -2.04 135.00 137.97 1o8r n PRO 51 Ca 0.12 0.52 0.06 0.00 -0.05 0.00 0.00 63.50 64.14 1o8r n PRO 51 Cb 0.48 -1.81 0.17 0.00 -0.05 0.00 0.00 33.50 32.30 1o8r n PRO 51 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 175.50 175.54 1o8r n ASN 52 N -2.04 1.58 -4.19 3.54 3.02 -1.26 -5.01 115.26 110.90 1o8r n ASN 52 Ca 0.00 -3.52 -0.30 0.00 -0.03 0.00 0.00 54.58 50.74 1o8r n ASN 52 Cb 0.09 -0.48 0.18 0.00 -0.61 0.00 0.00 39.78 38.96 1o8r n ASN 52 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1o8r s PHE 53 N -2.60 1.68 -0.49 3.10 -0.71 -0.86 -4.80 117.98 113.29 1o8r s PHE 53 Ca 0.37 0.33 -0.27 0.00 -1.04 0.00 0.00 56.93 56.32 1o8r s PHE 53 Cb 0.37 -4.06 -0.28 0.00 -1.21 0.00 0.00 43.02 37.84 1o8r s PHE 53 CO -0.09 -2.58 1.76 -2.30 -1.34 0.00 0.00 175.22 170.68 1o8r n PRO 54 N -3.72 0.04 -0.47 1.99 -0.01 -1.26 -4.65 135.00 126.93 1o8r n PRO 54 Ca 0.15 -1.23 0.40 0.00 -0.01 0.00 0.00 63.50 62.81 1o8r n PRO 54 Cb 0.60 -3.03 0.62 0.00 -0.01 0.00 0.00 33.50 31.67 1o8r n PRO 54 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 175.50 173.58 1o8r n GLU 55 N 7.72 0.01 0.24 -0.52 2.13 -1.26 0.26 120.64 129.22 1o8r n GLU 55 Ca 0.40 1.02 0.11 0.00 0.66 0.00 0.00 57.16 59.35 1o8r n GLU 55 Cb 0.44 -2.43 0.60 0.00 0.27 0.00 0.00 31.44 30.32 1o8r n GLU 55 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1o8r h GLU 56 N 0.00 0.00 -0.42 5.31 4.39 -1.98 1.59 114.58 123.46 1o8r h GLU 56 Ca 0.71 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.41 1o8r h GLU 56 Cb 3.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 31.93 1o8r h GLU 56 CO -0.01 0.00 0.00 1.28 -1.16 0.00 0.00 179.01 179.12 1o8r n LEU 57 N -2.46 2.43 -0.36 1.33 4.77 0.72 -4.47 117.00 118.96 1o8r n LEU 57 Ca -0.01 -1.19 0.05 0.00 -0.03 0.00 0.00 56.01 54.83 1o8r n LEU 57 Cb 0.31 -0.28 0.12 0.00 -2.33 0.00 0.00 43.42 41.24 1o8r n LEU 57 CO 0.10 0.59 0.64 1.17 -1.33 0.00 0.00 177.39 178.57 1o8r n LYS 58 N 0.83 -0.11 -0.21 3.23 4.81 0.54 0.11 118.16 127.36 1o8r n LYS 58 Ca 0.16 1.55 -0.01 0.00 -0.87 0.00 0.00 58.31 59.13 1o8r n LYS 58 Cb 0.39 -2.31 0.09 0.00 0.02 0.00 0.00 35.03 33.23 1o8r n LYS 58 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1o8r h PRO 59 N 0.00 0.53 -0.70 1.64 0.10 -1.82 -1.55 132.00 130.20 1o8r h PRO 59 Ca 0.46 -0.03 0.10 0.00 0.10 0.00 0.00 66.00 66.62 1o8r h PRO 59 Cb 0.70 -0.12 -0.07 0.00 0.10 0.00 0.00 31.00 31.61 1o8r h PRO 59 CO -1.02 0.35 0.33 1.25 0.10 0.00 0.00 178.00 179.01 1o8r h LEU 60 N 0.55 0.40 -1.75 2.35 5.85 0.51 0.17 115.31 123.38 1o8r h LEU 60 Ca 0.29 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 59.04 1o8r h LEU 60 Cb 0.25 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.29 1o8r h LEU 60 CO -0.22 0.22 -0.17 0.00 -0.34 0.00 0.00 178.44 177.93 1o8r n LYS 62 N -3.99 1.91 -4.77 0.00 5.02 0.44 -4.69 118.16 112.08 1o8r n LYS 62 Ca -0.02 -1.37 -0.33 0.00 -2.02 0.00 0.00 58.31 54.57 1o8r n LYS 62 Cb 0.25 -1.41 -0.13 0.00 -0.02 0.00 0.00 35.03 33.72 1o8r n LYS 62 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1o8r s GLU 63 N -1.71 2.84 0.62 1.97 2.02 -0.31 -4.98 118.70 119.15 1o8r s GLU 63 Ca 0.33 -0.65 0.38 0.00 0.02 0.00 0.00 54.97 55.06 1o8r s GLU 63 Cb 0.18 -2.52 2.06 0.00 0.10 0.00 0.00 34.13 33.95 1o8r s GLU 63 CO 0.27 0.51 2.26 -1.00 0.02 0.00 0.00 175.26 177.33 1o8r h PRO 64 N 5.72 0.00 0.00 0.39 0.14 -1.89 -0.75 132.00 135.61 1o8r h PRO 64 Ca -0.41 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.73 1o8r h PRO 64 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.31 1o8r h PRO 64 CO 0.53 0.02 0.00 0.09 0.14 0.00 0.00 178.00 178.77 1o8r n ASN 65 N -3.30 0.15 -0.34 1.44 3.02 -1.26 -3.74 115.26 111.22 1o8r n ASN 65 Ca -0.02 0.51 0.26 0.00 -0.03 0.00 0.00 54.58 55.30 1o8r n ASN 65 Cb 0.13 -0.56 0.55 0.00 -0.61 0.00 0.00 39.78 39.28 1o8r n ASN 65 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1o8r h ALA 66 N 2.91 2.36 -0.75 5.41 0.00 -1.23 0.49 119.26 128.45 1o8r h ALA 66 Ca 0.00 0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1o8r h ALA 66 Cb 0.54 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 1o8r h ALA 66 CO 0.00 -0.80 0.50 0.37 0.00 0.00 0.00 179.25 179.31 1o8r h GLN 67 N 0.32 0.98 0.23 0.00 4.15 -1.80 0.38 115.11 119.37 1o8r h GLN 67 Ca 0.63 -0.06 -0.33 0.00 0.77 0.00 0.00 58.65 59.67 1o8r h GLN 67 Cb 1.73 -0.22 0.03 0.00 0.21 0.00 0.00 27.48 29.23 1o8r h GLN 67 CO -0.31 0.65 -1.45 0.93 -1.93 0.00 0.00 178.83 176.72 1o8r h GLU 68 N 1.01 0.49 -0.44 1.69 5.08 -0.49 -3.24 114.58 118.68 1o8r h GLU 68 Ca 0.27 -0.84 -0.03 0.00 -1.00 0.00 0.00 59.36 57.76 1o8r h GLU 68 Cb -0.12 0.31 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1o8r h GLU 68 CO -0.06 1.40 0.16 0.82 -1.00 0.00 0.00 179.01 180.33 1o8r h ILE 69 N 0.13 1.21 -0.11 3.13 2.04 -0.26 -3.00 117.51 120.64 1o8r h ILE 69 Ca -0.24 -0.66 0.04 0.00 1.00 0.00 0.00 64.86 65.00 1o8r h ILE 69 Cb 2.14 0.82 -0.06 0.00 -0.74 0.00 0.00 36.82 38.98 1o8r h ILE 69 CO 0.26 0.24 -0.28 0.25 0.00 0.00 0.00 178.15 178.62 1o8r h LEU 70 N 0.57 -0.87 -0.49 1.44 7.12 -0.35 -0.57 115.31 122.16 1o8r h LEU 70 Ca 0.14 0.13 0.10 0.00 0.13 0.00 0.00 57.88 58.38 1o8r h LEU 70 Cb 0.22 0.37 -0.10 0.00 -0.53 0.00 0.00 40.66 40.62 1o8r h LEU 70 CO -0.01 -0.33 -0.27 1.56 -0.13 0.00 0.00 178.44 179.26 1o8r h GLN 71 N -0.36 -0.15 0.68 1.25 4.20 -1.56 0.30 115.11 119.46 1o8r h GLN 71 Ca 0.09 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.78 1o8r h GLN 71 Cb 0.51 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.32 1o8r h GLN 71 CO -0.32 -0.10 -0.39 0.00 -0.67 0.00 0.00 178.83 177.35 1o8r h ARG 72 N -0.16 -0.96 -0.68 1.46 3.08 -1.26 -0.98 114.38 114.89 1o8r h ARG 72 Ca 0.22 0.07 0.12 0.00 0.07 0.00 0.00 59.98 60.46 1o8r h ARG 72 Cb 0.51 0.22 -0.13 0.00 0.08 0.00 0.00 29.97 30.65 1o8r h ARG 72 CO -0.58 -0.64 -0.30 -0.07 -1.07 0.00 0.00 179.97 177.32 1o8r h LEU 73 N -0.99 -1.06 -0.43 3.04 3.38 -0.75 0.61 115.31 119.10 1o8r h LEU 73 Ca -0.09 0.24 0.07 0.00 0.09 0.00 0.00 57.88 58.18 1o8r h LEU 73 Cb 0.79 0.56 -0.06 0.00 0.09 0.00 0.00 40.66 42.04 1o8r h LEU 73 CO 0.11 -0.29 0.11 -0.33 0.09 0.00 0.00 178.44 178.13 1o8r h GLU 74 N -0.10 0.24 0.07 1.13 4.39 -0.80 0.12 114.58 119.64 1o8r h GLU 74 Ca 0.28 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.98 1o8r h GLU 74 Cb 0.56 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.13 1o8r h GLU 74 CO -0.74 0.16 -0.17 1.49 -1.16 0.00 0.00 179.01 178.59 1o8r h GLU 75 N 0.25 -0.31 -0.48 2.33 4.57 0.49 -1.78 114.58 119.65 1o8r h GLU 75 Ca 0.21 0.02 -0.05 0.00 -1.18 0.00 0.00 59.36 58.36 1o8r h GLU 75 Cb 0.25 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.88 1o8r h GLU 75 CO -0.26 -0.20 0.10 0.82 -1.18 0.00 0.00 179.01 178.29 1o8r h ILE 76 N -0.32 1.21 -0.44 2.32 1.08 -0.95 -2.05 117.51 118.36 1o8r h ILE 76 Ca 0.03 -0.77 0.03 0.00 -0.39 0.00 0.00 64.86 63.76 1o8r h ILE 76 Cb 0.35 0.74 -0.02 0.00 -3.07 0.00 0.00 36.82 34.81 1o8r h ILE 76 CO -0.11 0.28 0.30 0.00 -0.69 0.00 0.00 178.15 177.93 1o8r h ALA 77 N 1.41 1.82 -0.74 1.87 0.00 -0.12 -1.72 119.26 121.77 1o8r h ALA 77 Ca 0.16 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1o8r h ALA 77 Cb 0.28 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1o8r h ALA 77 CO -0.00 0.13 0.42 1.49 0.00 0.00 0.00 179.25 181.29 1o8r h GLU 78 N 0.48 1.02 -3.61 0.00 4.81 -0.59 -3.43 114.58 113.26 1o8r h GLU 78 Ca 0.18 -0.10 -0.07 0.00 -0.13 0.00 0.00 59.36 59.24 1o8r h GLU 78 Cb 0.12 -0.21 -0.13 0.00 0.63 0.00 0.00 28.75 29.16 1o8r h GLU 78 CO -0.04 0.73 -0.22 0.16 -0.73 0.00 0.00 179.01 178.91 1o8r s ASP 79 N -6.38 -0.06 0.04 1.04 1.47 -0.65 -4.02 116.67 108.11 1o8r s ASP 79 Ca -0.11 -0.51 -0.28 0.00 1.18 0.00 0.00 52.55 52.83 1o8r s ASP 79 Cb 0.17 0.42 -0.15 0.00 -0.34 0.00 0.00 42.92 43.01 1o8r s ASP 79 CO 0.80 -0.81 1.34 -0.65 0.68 0.00 0.00 175.17 176.52 1o8r h PRO 80 N 2.54 -0.96 0.00 2.11 0.11 -1.88 -3.42 132.00 130.50 1o8r h PRO 80 Ca -0.34 0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1o8r h PRO 80 Cb 1.23 0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.56 1o8r h PRO 80 CO 0.51 -0.64 0.00 0.41 -0.21 0.00 0.00 178.00 178.07 1o8r n GLY 81 N -1.28 0.77 0.19 -0.55 0.00 -1.26 -3.10 105.19 99.95 1o8r n GLY 81 Ca -0.12 -0.84 0.08 0.00 0.00 0.00 0.00 46.02 45.14 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 0.37 -0.25 2.61 1.35 -1.96 -3.31 112.91 111.72 1o8r h THR 82 Ca 0.00 -1.49 0.06 0.00 -0.55 0.00 0.00 66.41 64.43 1o8r h THR 82 Cb 0.00 2.16 -0.06 0.00 -1.73 0.00 0.00 68.15 68.51 1o8r h THR 82 CO 0.00 0.21 -0.16 0.00 -0.25 0.00 0.00 175.52 175.32 1o8r h GLU 84 N -0.14 0.47 -0.64 0.00 4.81 -1.66 -0.91 114.58 116.50 1o8r h GLU 84 Ca 0.14 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1o8r h GLU 84 Cb 0.35 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.63 1o8r h GLU 84 CO -0.34 0.31 0.00 0.44 -0.73 0.00 0.00 179.01 178.69 1o8r n ILE 85 N -4.48 1.41 -1.11 2.32 -5.35 -0.38 -4.90 119.36 106.87 1o8r n ILE 85 Ca 0.05 -0.99 -0.07 0.00 -0.27 0.00 0.00 62.75 61.47 1o8r n ILE 85 Cb 0.18 0.17 -0.03 0.00 -1.74 0.00 0.00 39.64 38.22 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 0.14 1.00 -2.52 0.00 0.00 -1.32 -3.44 119.26 113.12 1o8r h ALA 87 Ca -0.15 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.53 1o8r h ALA 87 Cb 0.96 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.60 1o8r h ALA 87 CO 0.22 0.00 -0.63 -0.47 0.00 0.00 0.00 179.25 178.37 1o8r s TYR 88 N -3.47 1.08 -2.00 0.00 5.04 -1.25 -5.00 117.35 111.76 1o8r s TYR 88 Ca 0.01 -1.32 0.17 0.00 -2.44 0.00 0.00 57.07 53.48 1o8r s TYR 88 Cb 0.08 -0.55 0.99 0.00 0.35 0.00 0.00 41.96 42.83 1o8r s TYR 88 CO 0.31 -0.58 1.48 0.00 -1.34 0.00 0.00 175.55 175.41 1o8r n ALA 89 N -0.22 2.35 -0.14 3.97 0.00 -1.26 -3.48 120.51 121.73 1o8r n ALA 89 Ca -0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 53.44 53.31 1o8r n ALA 89 Cb 0.65 -1.27 0.21 0.00 0.00 0.00 0.00 19.45 19.04 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 3.19 1.27 -2.96 0.00 0.00 -1.93 -3.40 119.26 115.43 1o8r h ALA 90 Ca 0.00 -0.18 -0.64 0.00 0.00 0.00 0.00 54.91 54.09 1o8r h ALA 90 Cb 0.00 -0.23 -0.19 0.00 0.00 0.00 0.00 17.79 17.37 1o8r h ALA 90 CO 0.00 0.53 -0.57 0.00 0.00 0.00 0.00 179.25 179.21 1o8r s THR 92 N 1.56 2.88 0.00 0.00 -4.23 -0.82 -4.59 115.64 110.44 1o8r s THR 92 Ca 0.06 -1.66 0.00 0.00 -1.18 0.00 0.00 61.69 58.91 1o8r s THR 92 Cb -0.15 -2.99 0.00 0.00 1.34 0.00 0.00 72.50 70.70 1o8r s THR 92 CO 0.07 -0.14 0.00 0.61 -0.54 0.00 0.00 174.62 174.62 1o8r n GLY 93 N -1.20 3.01 0.00 3.99 0.00 -1.26 -3.66 105.19 106.07 1o8r n GLY 93 Ca -0.02 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.15 1o8r n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32