#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r67 n ALA 34 N 0.00 -0.80 -2.43 1.96 0.00 0.18 -4.46 120.51 114.96 1r67 n ALA 34 Ca 0.00 -0.93 -0.08 0.00 0.00 0.00 0.00 53.44 52.42 1r67 n ALA 34 Cb 0.00 0.75 -0.08 0.00 0.00 0.00 0.00 19.45 20.11 1r67 n ALA 34 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1r67 s PHE 35 N -4.17 0.32 0.07 0.00 -0.12 -0.53 -3.51 117.98 110.03 1r67 s PHE 35 Ca 0.14 -0.77 0.02 0.00 -0.05 0.00 0.00 56.93 56.27 1r67 s PHE 35 Cb -0.02 -0.17 -0.03 0.00 -0.63 0.00 0.00 43.02 42.16 1r67 s PHE 35 CO 0.10 -0.52 -0.07 0.45 -0.05 0.00 0.00 175.22 175.13 1r67 s SER 36 N -2.90 0.98 -0.01 1.98 0.15 -0.33 -2.23 113.70 111.34 1r67 s SER 36 Ca 0.08 -0.77 -0.01 0.00 0.70 0.00 0.00 55.95 55.95 1r67 s SER 36 Cb 0.06 0.07 -0.00 0.00 -1.71 0.00 0.00 66.02 64.43 1r67 s SER 36 CO -0.09 -0.33 0.03 -0.55 1.20 0.00 0.00 173.24 173.50 1r67 s SER 37 N -2.28 0.02 -0.23 5.45 0.15 0.13 -0.79 113.70 116.15 1r67 s SER 37 Ca 0.00 -0.05 -0.04 0.00 0.70 0.00 0.00 55.95 56.57 1r67 s SER 37 Cb -0.03 0.09 -0.00 0.00 -1.71 0.00 0.00 66.02 64.37 1r67 s SER 37 CO -0.02 -0.09 -0.04 0.26 1.20 0.00 0.00 173.24 174.55 1r67 s TRP 38 N -0.34 2.98 0.01 3.44 0.52 -0.23 -2.14 118.94 123.17 1r67 s TRP 38 Ca -0.04 -1.02 0.03 0.00 0.02 0.00 0.00 56.10 55.09 1r67 s TRP 38 Cb -0.03 -2.11 -0.03 0.00 -1.15 0.00 0.00 33.47 30.15 1r67 s TRP 38 CO -0.00 -0.58 -0.06 -0.51 0.02 0.00 0.00 176.95 175.82 1r67 s LEU 39 N 1.46 3.21 0.11 2.99 1.43 -1.26 -1.66 118.68 124.97 1r67 s LEU 39 Ca 0.05 -0.15 0.07 0.00 -1.03 0.00 0.00 54.13 53.07 1r67 s LEU 39 Cb -0.15 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 1r67 s LEU 39 CO -0.03 0.27 -0.16 -0.36 0.23 0.00 0.00 176.35 176.30 1r67 s PHE 40 N -1.03 1.51 0.76 0.29 0.40 -0.09 -1.08 117.98 118.74 1r67 s PHE 40 Ca 0.18 -0.49 -0.01 0.00 -0.60 0.00 0.00 56.93 56.01 1r67 s PHE 40 Cb -0.11 -0.80 0.15 0.00 0.51 0.00 0.00 43.02 42.76 1r67 s PHE 40 CO 0.09 0.17 1.04 0.54 0.70 0.00 0.00 175.22 177.75 1r67 s ASN 41 N -2.22 4.13 0.49 1.36 2.20 -0.50 -0.45 114.94 119.96 1r67 s ASN 41 Ca 0.07 -0.46 0.19 0.00 -0.94 0.00 0.00 52.86 51.72 1r67 s ASN 41 Cb -0.07 0.19 1.24 0.00 -2.00 0.00 0.00 41.25 40.61 1r67 s ASN 41 CO 0.04 -2.02 2.07 0.00 -2.94 0.00 0.00 177.10 174.24 1r67 h ALA 42 N -0.65 1.64 0.00 3.54 0.00 -1.89 -0.72 119.26 121.18 1r67 h ALA 42 Ca -0.35 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1r67 h ALA 42 Cb 1.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1r67 h ALA 42 CO 0.37 0.15 0.00 1.63 0.00 0.00 0.00 179.25 181.40 1r67 n LYS 43 N -4.16 0.00 -0.17 0.00 5.02 -1.26 -0.37 118.16 117.21 1r67 n LYS 43 Ca -0.02 0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 1r67 n LYS 43 Cb 0.20 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 1r67 n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1r67 n GLY 44 N 0.32 0.65 3.79 0.72 0.00 -0.28 -4.34 105.19 106.05 1r67 n GLY 44 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 1r67 n GLY 44 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1r67 s GLN 45 N -0.83 4.18 0.02 1.61 -0.21 -1.26 -4.23 119.66 118.94 1r67 s GLN 45 Ca 0.00 1.42 -0.17 0.00 0.02 0.00 0.00 55.36 56.63 1r67 s GLN 45 Cb 0.00 -2.47 -0.06 0.00 1.00 0.00 0.00 33.01 31.48 1r67 s GLN 45 CO 0.00 -0.11 0.49 -1.17 -2.12 0.00 0.00 175.29 172.38 1r67 s LEU 46 N -2.74 4.47 -0.35 2.90 2.96 0.42 -1.41 118.68 124.94 1r67 s LEU 46 Ca 0.59 1.09 -0.18 0.00 -0.22 0.00 0.00 54.13 55.40 1r67 s LEU 46 Cb -0.19 -2.75 -0.00 0.00 0.50 0.00 0.00 46.19 43.75 1r67 s LEU 46 CO 0.24 0.26 0.51 -0.22 -1.32 0.00 0.00 176.35 175.82 1r67 s LEU 47 N -0.86 4.33 0.05 -0.68 2.96 -0.24 -0.69 118.68 123.55 1r67 s LEU 47 Ca 0.27 0.00 0.00 0.00 -0.22 0.00 0.00 54.13 54.18 1r67 s LEU 47 Cb -0.18 -2.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.88 1r67 s LEU 47 CO 0.16 -0.47 0.16 0.68 -1.32 0.00 0.00 176.35 175.56 1r67 s VAL 48 N 2.39 5.11 0.15 1.68 -7.23 -0.15 -3.50 120.40 118.85 1r67 s VAL 48 Ca 0.19 -0.46 0.05 0.00 -1.81 0.00 0.00 61.98 59.95 1r67 s VAL 48 Cb -0.15 -3.46 -0.04 0.00 0.56 0.00 0.00 36.38 33.29 1r67 s VAL 48 CO 0.13 0.18 -0.12 0.42 -0.31 0.00 0.00 175.10 175.40 1r67 s THR 49 N -1.42 1.31 -0.17 5.32 -4.23 -0.63 -0.82 115.64 115.00 1r67 s THR 49 Ca 0.31 -1.99 -0.01 0.00 -1.18 0.00 0.00 61.69 58.82 1r67 s THR 49 Cb -0.13 -1.79 -0.00 0.00 1.34 0.00 0.00 72.50 71.92 1r67 s THR 49 CO 0.24 -0.63 -0.12 -0.60 -0.54 0.00 0.00 174.62 172.97 1r67 s ARG 50 N -3.42 3.29 0.28 3.99 3.52 0.24 -0.04 118.95 126.81 1r67 s ARG 50 Ca 0.15 -0.70 -0.30 0.00 -0.13 0.00 0.00 55.73 54.76 1r67 s ARG 50 Cb -0.00 -2.75 -0.10 0.00 -1.56 0.00 0.00 34.95 30.54 1r67 s ARG 50 CO 0.02 -0.03 1.40 1.03 -0.81 0.00 0.00 175.30 176.92 1r67 s ARG 51 N 0.96 4.29 0.68 5.12 0.52 -0.36 -1.01 118.95 129.14 1r67 s ARG 51 Ca -0.02 2.29 -0.17 0.00 -0.52 0.00 0.00 55.73 57.31 1r67 s ARG 51 Cb -0.15 -3.09 -0.01 0.00 0.52 0.00 0.00 34.95 32.22 1r67 s ARG 51 CO -0.01 -0.36 0.98 0.00 0.02 0.00 0.00 175.30 175.94 1r67 n ALA 52 N 1.79 -0.03 0.25 2.13 0.00 0.14 -0.76 120.51 124.02 1r67 n ALA 52 Ca 0.04 -0.12 0.18 0.00 0.00 0.00 0.00 53.44 53.54 1r67 n ALA 52 Cb 0.41 -2.13 0.90 0.00 0.00 0.00 0.00 19.45 18.63 1r67 n ALA 52 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1r67 h LEU 53 N 0.01 0.00 -0.84 0.00 3.38 -1.91 -2.23 115.31 113.72 1r67 h LEU 53 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1r67 h LEU 53 Cb 1.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1r67 h LEU 53 CO 0.48 0.00 -0.06 -1.54 0.09 0.00 0.00 178.44 177.41 1r67 n SER 54 N -3.61 1.37 -4.76 -0.43 3.41 -1.26 -4.73 113.62 103.60 1r67 n SER 54 Ca 0.00 -1.34 -0.40 0.00 -0.26 0.00 0.00 58.87 56.87 1r67 n SER 54 Cb 0.27 0.03 0.02 0.00 -0.26 0.00 0.00 64.21 64.26 1r67 n SER 54 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1r67 s LYS 55 N -2.12 3.67 0.12 4.33 -0.14 -0.85 -4.92 119.74 119.83 1r67 s LYS 55 Ca 0.35 2.37 -0.15 0.00 -1.36 0.00 0.00 55.97 57.18 1r67 s LYS 55 Cb 0.21 -2.63 -0.02 0.00 -1.68 0.00 0.00 37.83 33.70 1r67 s LYS 55 CO 0.38 -0.81 1.57 -0.22 -0.76 0.00 0.00 175.35 175.51 1r67 h LYS 56 N 2.29 0.71 -5.91 1.68 1.63 -1.92 -3.36 116.57 111.69 1r67 h LYS 56 Ca -0.51 -0.22 -0.67 0.00 -0.85 0.00 0.00 60.65 58.40 1r67 h LYS 56 Cb 1.27 -0.06 -0.18 0.00 -0.60 0.00 0.00 32.23 32.65 1r67 h LYS 56 CO 0.61 0.79 -0.66 0.00 -3.45 0.00 0.00 179.45 176.75 1r67 s ALA 57 N -5.01 3.12 -1.47 5.00 0.00 -1.26 -4.59 121.76 117.55 1r67 s ALA 57 Ca -0.13 -0.84 -0.00 0.00 0.00 0.00 0.00 51.96 50.99 1r67 s ALA 57 Cb 0.10 -1.40 0.00 0.00 0.00 0.00 0.00 23.12 21.82 1r67 s ALA 57 CO 0.79 0.51 0.24 0.91 0.00 0.00 0.00 175.76 178.21 1r67 n TRP 58 N 2.44 -1.48 -2.06 0.00 8.01 -1.26 -4.92 117.44 118.17 1r67 n TRP 58 Ca -0.18 0.69 -0.39 0.00 -1.31 0.00 0.00 57.50 56.31 1r67 n TRP 58 Cb 0.53 -3.32 0.00 0.00 -2.01 0.00 0.00 31.31 26.51 1r67 n TRP 58 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.69 175.43 1r67 s PRO 59 N -6.92 3.75 0.00 -0.99 0.04 -1.26 -3.30 135.00 126.33 1r67 s PRO 59 Ca 0.01 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.11 1r67 s PRO 59 Cb -0.01 -2.57 0.00 0.00 0.04 0.00 0.00 34.50 31.97 1r67 s PRO 59 CO 0.94 -0.64 0.00 0.41 0.04 0.00 0.00 177.00 177.75 1r67 n GLY 60 N 0.62 0.69 3.71 0.56 0.00 0.06 -4.90 105.19 105.93 1r67 n GLY 60 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 1r67 n GLY 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r67 s VAL 61 N -2.80 4.63 0.23 1.61 1.01 -1.21 -4.76 120.40 119.11 1r67 s VAL 61 Ca 0.00 -0.12 -0.30 0.00 0.00 0.00 0.00 61.98 61.56 1r67 s VAL 61 Cb 0.00 -2.99 -0.09 0.00 0.00 0.00 0.00 36.38 33.31 1r67 s VAL 61 CO 0.00 0.59 1.12 0.26 0.00 0.00 0.00 175.10 177.07 1r67 s TRP 62 N -0.70 3.54 0.38 5.22 0.52 -1.26 -1.23 118.94 125.41 1r67 s TRP 62 Ca 0.12 1.61 -0.15 0.00 0.02 0.00 0.00 56.10 57.69 1r67 s TRP 62 Cb -0.12 -3.32 0.05 0.00 -1.15 0.00 0.00 33.47 28.93 1r67 s TRP 62 CO 0.02 -0.73 0.76 -0.08 0.02 0.00 0.00 176.95 176.95 1r67 s THR 63 N -0.65 0.00 1.13 2.01 -1.32 0.94 -0.85 115.64 116.90 1r67 s THR 63 Ca 0.48 -1.05 -0.17 0.00 -1.21 0.00 0.00 61.69 59.74 1r67 s THR 63 Cb -0.31 -2.83 0.25 0.00 -1.51 0.00 0.00 72.50 68.10 1r67 s THR 63 CO 0.38 0.00 1.12 0.54 -2.21 0.00 0.00 174.62 174.45 1r67 s ASN 64 N -3.08 1.58 0.10 8.08 4.22 -1.26 -1.60 114.94 122.98 1r67 s ASN 64 Ca 0.16 0.76 -0.29 0.00 -2.14 0.00 0.00 52.86 51.36 1r67 s ASN 64 Cb -0.05 -1.12 -0.13 0.00 1.28 0.00 0.00 41.25 41.23 1r67 s ASN 64 CO 0.12 -3.73 1.63 0.28 -2.04 0.00 0.00 177.10 173.37 1r67 h SER 65 N -2.31 -0.76 -4.90 3.54 0.02 -1.56 -3.38 113.55 104.19 1r67 h SER 65 Ca -0.48 0.07 -0.14 0.00 -0.84 0.00 0.00 61.79 60.40 1r67 h SER 65 Cb 1.30 0.26 -0.21 0.00 0.14 0.00 0.00 62.40 63.89 1r67 h SER 65 CO 0.42 -0.41 -0.44 0.54 -1.14 0.00 0.00 176.83 175.80 1r67 s VAL 66 N -6.05 0.07 0.13 2.27 0.11 -0.91 -4.72 120.40 111.31 1r67 s VAL 66 Ca -0.16 -0.59 -0.07 0.00 -2.93 0.00 0.00 61.98 58.23 1r67 s VAL 66 Cb 0.06 -0.47 -0.01 0.00 -1.53 0.00 0.00 36.38 34.43 1r67 s VAL 66 CO 0.64 -0.32 0.21 0.00 -3.33 0.00 0.00 175.10 172.29 1r67 n GLY 68 N -0.14 -0.66 2.86 0.00 0.00 -0.95 -5.00 105.19 101.30 1r67 n GLY 68 Ca -0.09 -0.49 -0.18 0.00 0.00 0.00 0.00 46.02 45.26 1r67 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1r67 s HIS 69 N -3.49 0.46 0.68 1.61 3.76 -1.26 -1.46 115.29 115.59 1r67 s HIS 69 Ca 0.00 -0.07 -0.15 0.00 -0.15 0.00 0.00 55.06 54.69 1r67 s HIS 69 Cb 0.00 -0.47 0.01 0.00 1.11 0.00 0.00 32.58 33.23 1r67 s HIS 69 CO 0.00 -0.13 1.12 -1.25 -0.85 0.00 0.00 174.74 173.63 1r67 s PRO 70 N 0.86 2.68 0.61 8.40 0.04 -1.26 -5.01 135.00 141.31 1r67 s PRO 70 Ca -0.10 1.42 -0.01 0.00 0.04 0.00 0.00 61.00 62.36 1r67 s PRO 70 Cb -0.13 -1.93 0.05 0.00 0.04 0.00 0.00 34.50 32.53 1r67 s PRO 70 CO -0.01 -1.35 0.86 -0.65 0.04 0.00 0.00 177.00 175.89 1r67 s GLN 71 N -4.12 2.35 0.12 4.56 -0.21 -1.26 -4.95 119.66 116.15 1r67 s GLN 71 Ca 0.67 -0.70 -0.33 0.00 0.02 0.00 0.00 55.36 55.03 1r67 s GLN 71 Cb -0.21 -2.39 -0.13 0.00 1.00 0.00 0.00 33.01 31.28 1r67 s GLN 71 CO 0.43 -0.93 1.70 -0.11 -2.12 0.00 0.00 175.29 174.25 1r67 n LEU 72 N -2.54 3.46 0.00 2.90 -0.00 -1.26 -0.95 117.00 118.61 1r67 n LEU 72 Ca 0.09 1.04 0.00 0.00 -0.00 0.00 0.00 56.01 57.14 1r67 n LEU 72 Cb 0.60 -1.46 0.00 0.00 -0.00 0.00 0.00 43.42 42.56 1r67 n LEU 72 CO 0.46 -0.09 0.00 0.61 -0.00 0.00 0.00 177.39 178.37 1r67 n GLY 73 N 3.81 0.47 3.87 -3.96 0.00 -1.26 -5.02 105.19 103.11 1r67 n GLY 73 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1r67 n GLY 73 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1r67 s GLU 74 N -0.36 3.50 0.68 1.61 2.12 -0.12 -5.08 118.70 121.05 1r67 s GLU 74 Ca 0.00 -0.11 -0.13 0.00 0.36 0.00 0.00 54.97 55.10 1r67 s GLU 74 Cb 0.00 -3.20 0.01 0.00 0.26 0.00 0.00 34.13 31.20 1r67 s GLU 74 CO 0.00 0.75 1.08 -1.54 -0.54 0.00 0.00 175.26 175.01 1r67 s SER 75 N -0.97 5.19 0.19 -1.70 1.04 -1.26 -4.66 113.70 111.52 1r67 s SER 75 Ca 0.15 1.81 -0.10 0.00 0.48 0.00 0.00 55.95 58.29 1r67 s SER 75 Cb -0.12 -2.52 0.09 0.00 0.10 0.00 0.00 66.02 63.57 1r67 s SER 75 CO 0.04 -1.57 1.70 0.78 0.98 0.00 0.00 173.24 175.17 1r67 h ASN 76 N -0.36 1.00 -0.20 7.02 -0.26 -1.98 -0.47 115.58 120.33 1r67 h ASN 76 Ca -0.45 -0.23 0.06 0.00 -0.56 0.00 0.00 56.30 55.11 1r67 h ASN 76 Cb 1.23 -0.26 -0.07 0.00 -1.06 0.00 0.00 38.32 38.16 1r67 h ASN 76 CO 0.55 0.97 -0.25 -0.33 -1.06 0.00 0.00 177.43 177.31 1r67 h GLU 77 N 0.98 -0.27 -0.25 0.81 3.07 -1.96 0.27 114.58 117.23 1r67 h GLU 77 Ca 0.21 0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 59.05 1r67 h GLU 77 Cb 0.36 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.31 1r67 h GLU 77 CO 0.00 -0.18 -0.01 -0.44 -1.40 0.00 0.00 179.01 176.98 1r67 h ASP 78 N -0.28 0.35 -0.65 1.42 3.32 -1.87 -1.82 116.42 116.89 1r67 h ASP 78 Ca 0.12 -0.05 -0.09 0.00 0.02 0.00 0.00 57.03 57.03 1r67 h ASP 78 Cb 0.47 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.90 1r67 h ASP 78 CO -0.36 0.42 0.08 0.00 -1.72 0.00 0.00 179.24 177.65 1r67 h ALA 79 N 1.63 0.89 0.06 3.45 0.00 -0.33 -0.60 119.26 124.38 1r67 h ALA 79 Ca 0.08 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1r67 h ALA 79 Cb 0.26 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1r67 h ALA 79 CO 0.01 0.67 -0.03 0.28 0.00 0.00 0.00 179.25 180.18 1r67 h VAL 80 N 1.02 0.98 -0.40 0.00 2.07 -0.31 0.69 116.25 120.31 1r67 h VAL 80 Ca 0.20 -0.14 0.06 0.00 0.82 0.00 0.00 66.70 67.64 1r67 h VAL 80 Cb 0.48 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 31.27 1r67 h VAL 80 CO 0.02 0.04 0.08 0.40 0.02 0.00 0.00 177.57 178.13 1r67 h ILE 81 N -0.15 0.80 -0.36 4.57 2.04 -1.26 -0.32 117.51 122.83 1r67 h ILE 81 Ca -0.01 -0.07 0.01 0.00 1.00 0.00 0.00 64.86 65.79 1r67 h ILE 81 Cb 0.12 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 1r67 h ILE 81 CO 0.01 0.04 0.21 -0.09 0.00 0.00 0.00 178.15 178.32 1r67 h ARG 82 N 0.21 0.41 -0.06 2.37 2.43 -0.84 -2.48 114.38 116.43 1r67 h ARG 82 Ca 0.19 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.20 1r67 h ARG 82 Cb 0.23 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 1r67 h ARG 82 CO -0.25 0.27 -0.58 0.00 -1.51 0.00 0.00 179.97 177.91 1r67 h ARG 83 N 0.43 0.19 -0.73 0.20 2.47 -0.43 -1.45 114.38 115.06 1r67 h ARG 83 Ca 0.14 -0.13 -0.05 0.00 -1.26 0.00 0.00 59.98 58.69 1r67 h ARG 83 Cb 0.00 0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.31 1r67 h ARG 83 CO -0.06 0.72 0.27 0.00 0.56 0.00 0.00 179.97 181.45 1r67 h ARG 85 N 1.06 1.01 0.04 0.00 3.08 -1.13 -1.61 114.38 116.83 1r67 h ARG 85 Ca 0.24 -0.21 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 1r67 h ARG 85 Cb 0.24 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1r67 h ARG 85 CO -0.02 0.88 -0.02 -0.92 -1.07 0.00 0.00 179.97 178.82 1r67 h TYR 86 N 0.94 -0.05 0.00 3.04 3.20 -0.85 -1.59 116.97 121.66 1r67 h TYR 86 Ca 0.21 -0.00 -0.17 0.00 3.14 0.00 0.00 58.73 61.91 1r67 h TYR 86 Cb 0.28 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.54 1r67 h TYR 86 CO 0.02 0.51 -1.15 0.93 -1.64 0.00 0.00 178.16 176.83 1r67 h GLU 87 N -0.66 0.00 0.00 1.82 5.08 -0.73 -3.41 114.58 116.68 1r67 h GLU 87 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1r67 h GLU 87 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1r67 h GLU 87 CO 0.01 0.46 0.00 1.28 -1.00 0.00 0.00 179.01 179.76 1r67 n LEU 88 N -3.06 0.86 -2.09 1.33 4.77 -0.66 -1.71 117.00 116.44 1r67 n LEU 88 Ca -0.06 -0.86 -0.12 0.00 -0.03 0.00 0.00 56.01 54.94 1r67 n LEU 88 Cb 0.85 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.92 1r67 n LEU 88 CO 0.43 0.21 -0.15 0.61 -1.33 0.00 0.00 177.39 177.17 1r67 n GLY 89 N -0.12 0.05 3.48 -0.72 0.00 -0.60 -0.65 105.19 106.63 1r67 n GLY 89 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1r67 n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r67 s VAL 90 N -2.44 2.80 0.17 1.61 0.11 -1.03 -4.12 120.40 117.51 1r67 s VAL 90 Ca 0.00 -1.55 -0.07 0.00 -2.93 0.00 0.00 61.98 57.42 1r67 s VAL 90 Cb 0.00 -2.29 -0.06 0.00 -1.53 0.00 0.00 36.38 32.50 1r67 s VAL 90 CO 0.00 0.08 0.45 -1.61 -3.33 0.00 0.00 175.10 170.69 1r67 s GLU 91 N -2.20 3.72 0.14 1.54 0.41 -1.26 -3.50 118.70 117.55 1r67 s GLU 91 Ca 0.18 0.10 0.01 0.00 -0.41 0.00 0.00 54.97 54.85 1r67 s GLU 91 Cb -0.10 -2.79 -0.04 0.00 -1.78 0.00 0.00 34.13 29.41 1r67 s GLU 91 CO 0.10 0.42 0.00 0.96 -0.49 0.00 0.00 175.26 176.25 1r67 s ILE 92 N -1.68 0.52 0.79 -1.63 -4.36 -1.26 -0.07 121.20 113.52 1r67 s ILE 92 Ca 0.42 -1.95 -0.12 0.00 -0.26 0.00 0.00 60.65 58.75 1r67 s ILE 92 Cb -0.12 -1.99 0.06 0.00 1.25 0.00 0.00 42.46 41.66 1r67 s ILE 92 CO 0.22 -0.57 1.11 0.42 0.24 0.00 0.00 174.94 176.36 1r67 s THR 93 N -3.75 2.97 -0.07 8.37 -4.23 -0.25 -4.84 115.64 113.83 1r67 s THR 93 Ca 0.21 0.31 -0.34 0.00 -1.18 0.00 0.00 61.69 60.69 1r67 s THR 93 Cb 0.06 -3.14 -0.12 0.00 1.34 0.00 0.00 72.50 70.64 1r67 s THR 93 CO 0.01 -0.41 1.87 -2.65 -0.54 0.00 0.00 174.62 172.90 1r67 n PRO 94 N -3.36 2.18 -1.70 3.99 -0.02 -1.26 -4.65 135.00 130.19 1r67 n PRO 94 Ca 0.07 0.80 -0.44 0.00 -2.02 0.00 0.00 63.50 61.91 1r67 n PRO 94 Cb 0.57 -2.64 -0.03 0.00 -0.02 0.00 0.00 33.50 31.38 1r67 n PRO 94 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1r67 n PRO 95 N 6.46 2.36 -3.60 0.52 -0.02 -1.26 -4.85 135.00 134.61 1r67 n PRO 95 Ca 0.22 0.84 -0.37 0.00 -2.02 0.00 0.00 63.50 62.17 1r67 n PRO 95 Cb 0.29 -2.58 -0.06 0.00 -0.02 0.00 0.00 33.50 31.13 1r67 n PRO 95 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1r67 s GLU 96 N 0.01 3.87 -0.26 -0.52 2.12 0.67 -4.90 118.70 119.69 1r67 s GLU 96 Ca 0.70 0.21 -0.28 0.00 0.36 0.00 0.00 54.97 55.96 1r67 s GLU 96 Cb -0.59 -3.26 0.01 0.00 0.26 0.00 0.00 34.13 30.55 1r67 s GLU 96 CO 0.45 0.61 1.02 0.45 -0.54 0.00 0.00 175.26 177.25 1r67 s SER 97 N -0.71 7.01 -0.00 -1.70 0.15 -1.26 -0.89 113.70 116.29 1r67 s SER 97 Ca 0.20 1.21 0.04 0.00 0.70 0.00 0.00 55.95 58.11 1r67 s SER 97 Cb -0.15 -2.53 -0.06 0.00 -1.71 0.00 0.00 66.02 61.58 1r67 s SER 97 CO 0.09 -0.72 0.11 2.30 1.20 0.00 0.00 173.24 176.22 1r67 n ILE 98 N 5.50 0.00 -2.88 6.45 -5.35 -0.06 -4.86 119.36 118.15 1r67 n ILE 98 Ca 0.11 -0.20 -0.11 0.00 -0.27 0.00 0.00 62.75 62.28 1r67 n ILE 98 Cb 0.47 0.61 0.00 0.00 -1.74 0.00 0.00 39.64 38.98 1r67 n ILE 98 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1r67 n TYR 99 N -1.46 -2.86 0.21 4.28 9.36 -1.03 -4.07 117.16 121.59 1r67 n TYR 99 Ca -0.00 -2.03 0.06 0.00 3.32 0.00 0.00 57.90 59.25 1r67 n TYR 99 Cb 0.09 1.14 0.48 0.00 -0.63 0.00 0.00 39.34 40.42 1r67 n TYR 99 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 1r67 h PRO 100 N 4.54 0.00 -0.40 2.98 0.13 -1.89 -2.15 132.00 135.20 1r67 h PRO 100 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1r67 h PRO 100 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1r67 h PRO 100 CO 0.24 0.28 0.00 -0.40 -0.23 0.00 0.00 178.00 177.89 1r67 n ASP 101 N -3.87 2.30 -4.72 1.44 5.75 -1.26 -4.32 116.55 111.86 1r67 n ASP 101 Ca -0.02 -1.96 -0.42 0.00 -0.01 0.00 0.00 54.79 52.39 1r67 n ASP 101 Cb 0.36 -0.27 -0.03 0.00 -1.03 0.00 0.00 41.12 40.15 1r67 n ASP 101 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1r67 s PHE 102 N -1.47 3.49 -0.19 2.11 5.36 -1.14 -4.93 117.98 121.21 1r67 s PHE 102 Ca 0.30 1.41 -0.08 0.00 -0.96 0.00 0.00 56.93 57.60 1r67 s PHE 102 Cb 0.16 -3.36 0.08 0.00 -0.34 0.00 0.00 43.02 39.56 1r67 s PHE 102 CO 0.21 -1.01 0.43 0.50 -1.46 0.00 0.00 175.22 173.89 1r67 s ARG 103 N 0.62 0.36 0.20 10.12 3.52 -1.26 0.72 118.95 133.24 1r67 s ARG 103 Ca 0.56 0.98 -0.11 0.00 -0.13 0.00 0.00 55.73 57.02 1r67 s ARG 103 Cb -0.29 0.23 -0.00 0.00 -1.56 0.00 0.00 34.95 33.32 1r67 s ARG 103 CO 0.31 -0.22 0.38 0.00 -0.81 0.00 0.00 175.30 174.96 1r67 s ALA 104 N 2.21 -0.12 -0.04 6.12 0.00 0.06 -4.95 121.76 125.04 1r67 s ALA 104 Ca -0.04 -0.87 0.05 0.00 0.00 0.00 0.00 51.96 51.10 1r67 s ALA 104 Cb -0.11 0.99 -0.02 0.00 0.00 0.00 0.00 23.12 23.98 1r67 s ALA 104 CO -0.13 -0.75 -0.19 -0.98 0.00 0.00 0.00 175.76 173.71 1r67 s ARG 105 N -3.99 2.39 0.02 0.00 1.04 -1.26 0.18 118.95 117.32 1r67 s ARG 105 Ca 0.20 -0.80 -0.16 0.00 -1.04 0.00 0.00 55.73 53.94 1r67 s ARG 105 Cb 0.01 -2.24 0.03 0.00 -2.04 0.00 0.00 34.95 30.71 1r67 s ARG 105 CO 0.04 0.57 0.34 0.00 -0.04 0.00 0.00 175.30 176.21 1r67 s ALA 106 N -0.61 -0.82 -0.07 7.88 0.00 0.56 -4.98 121.76 123.71 1r67 s ALA 106 Ca 0.09 0.24 0.06 0.00 0.00 0.00 0.00 51.96 52.35 1r67 s ALA 106 Cb -0.11 0.21 -0.01 0.00 0.00 0.00 0.00 23.12 23.22 1r67 s ALA 106 CO 0.00 -0.36 -0.24 0.99 0.00 0.00 0.00 175.76 176.15 1r67 s THR 107 N -1.99 2.10 0.64 0.00 2.01 -1.26 -0.81 115.64 116.32 1r67 s THR 107 Ca -0.09 -1.05 -0.04 0.00 0.31 0.00 0.00 61.69 60.83 1r67 s THR 107 Cb -0.03 -1.76 0.05 0.00 0.01 0.00 0.00 72.50 70.77 1r67 s THR 107 CO 0.00 0.57 0.92 1.51 -0.69 0.00 0.00 174.62 176.94 1r67 s ASP 108 N -0.09 5.06 0.55 3.53 -4.77 -0.84 -4.90 116.67 115.21 1r67 s ASP 108 Ca -0.06 0.34 0.36 0.00 -3.30 0.00 0.00 52.55 49.89 1r67 s ASP 108 Cb -0.14 -1.11 1.93 0.00 -1.09 0.00 0.00 42.92 42.51 1r67 s ASP 108 CO 0.04 -1.39 2.09 -0.65 0.70 0.00 0.00 175.17 175.97 1r67 h PRO 109 N -0.33 0.00 -0.22 2.11 0.11 -1.99 0.25 132.00 131.92 1r67 h PRO 109 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1r67 h PRO 109 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1r67 h PRO 109 CO 0.58 0.00 0.00 0.45 -0.21 0.00 0.00 178.00 178.82 1r67 n SER 110 N -2.77 3.13 0.00 -2.05 2.88 -1.26 -4.97 113.62 108.57 1r67 n SER 110 Ca -0.02 -1.94 0.00 0.00 -1.33 0.00 0.00 58.87 55.58 1r67 n SER 110 Cb 0.09 -0.14 0.00 0.00 -0.75 0.00 0.00 64.21 63.41 1r67 n SER 110 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1r67 n GLY 111 N 1.31 0.77 3.69 0.46 0.00 0.88 -5.03 105.19 107.28 1r67 n GLY 111 Ca 0.16 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.74 1r67 n GLY 111 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1r67 n ILE 112 N -2.00 0.18 -3.56 -0.61 5.41 -1.26 -4.65 119.36 112.86 1r67 n ILE 112 Ca 0.00 -0.03 -0.37 0.00 1.00 0.00 0.00 62.75 63.35 1r67 n ILE 112 Cb 0.00 -1.88 -0.06 0.00 -0.71 0.00 0.00 39.64 36.99 1r67 n ILE 112 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1r67 s VAL 113 N 1.88 5.10 -0.03 1.39 1.01 -1.26 -2.00 120.40 126.48 1r67 s VAL 113 Ca 0.80 0.70 -0.01 0.00 0.00 0.00 0.00 61.98 63.47 1r67 s VAL 113 Cb -0.57 -3.66 0.03 0.00 0.00 0.00 0.00 36.38 32.18 1r67 s VAL 113 CO 0.38 0.53 0.04 -0.70 0.00 0.00 0.00 175.10 175.35 1r67 s GLU 114 N -1.22 0.01 -0.22 2.72 2.12 0.01 -5.00 118.70 117.13 1r67 s GLU 114 Ca 0.24 0.27 0.02 0.00 0.36 0.00 0.00 54.97 55.86 1r67 s GLU 114 Cb -0.16 -0.45 0.04 0.00 0.26 0.00 0.00 34.13 33.82 1r67 s GLU 114 CO 0.13 -0.26 -0.14 1.21 -0.54 0.00 0.00 175.26 175.66 1r67 s ASN 115 N 1.69 3.77 0.03 -1.70 3.04 -1.26 -0.33 114.94 120.18 1r67 s ASN 115 Ca -0.01 -1.03 0.02 0.00 0.04 0.00 0.00 52.86 51.88 1r67 s ASN 115 Cb -0.12 -1.47 -0.02 0.00 -1.54 0.00 0.00 41.25 38.10 1r67 s ASN 115 CO -0.03 -0.11 -0.06 -1.61 -3.04 0.00 0.00 177.10 172.25 1r67 s GLU 116 N 1.22 0.45 -0.49 0.43 0.41 0.47 -4.71 118.70 116.47 1r67 s GLU 116 Ca -0.02 -0.57 -0.27 0.00 -0.41 0.00 0.00 54.97 53.70 1r67 s GLU 116 Cb -0.17 -0.25 0.03 0.00 -1.78 0.00 0.00 34.13 31.96 1r67 s GLU 116 CO -0.09 0.05 1.03 0.08 -0.49 0.00 0.00 175.26 175.84 1r67 s VAL 117 N -1.02 4.32 -0.41 2.63 1.01 -1.26 -0.76 120.40 124.90 1r67 s VAL 117 Ca -0.07 0.86 0.04 0.00 0.00 0.00 0.00 61.98 62.80 1r67 s VAL 117 Cb -0.08 -4.54 0.17 0.00 0.00 0.00 0.00 36.38 31.93 1r67 s VAL 117 CO 0.00 -0.99 0.35 0.00 0.00 0.00 0.00 175.10 174.46 1r67 s PRO 119 N 0.12 3.77 -0.08 0.00 0.04 -1.23 -4.39 135.00 133.22 1r67 s PRO 119 Ca 0.32 2.39 -0.01 0.00 0.04 0.00 0.00 61.00 63.74 1r67 s PRO 119 Cb 0.03 -2.70 -0.03 0.00 0.04 0.00 0.00 34.50 31.84 1r67 s PRO 119 CO -0.19 -0.74 -0.01 0.08 0.04 0.00 0.00 177.00 176.18 1r67 s VAL 120 N -1.21 4.20 0.20 -0.36 1.01 -0.82 -1.19 120.40 122.24 1r67 s VAL 120 Ca 0.60 -0.29 0.06 0.00 0.00 0.00 0.00 61.98 62.35 1r67 s VAL 120 Cb -0.43 -2.76 -0.05 0.00 0.00 0.00 0.00 36.38 33.14 1r67 s VAL 120 CO 0.56 0.60 -0.10 -0.36 0.00 0.00 0.00 175.10 175.79 1r67 s PHE 121 N -0.85 1.60 0.04 5.22 0.40 0.03 -0.89 117.98 123.53 1r67 s PHE 121 Ca 0.13 -0.69 0.05 0.00 -0.60 0.00 0.00 56.93 55.82 1r67 s PHE 121 Cb -0.11 -0.81 -0.02 0.00 0.51 0.00 0.00 43.02 42.59 1r67 s PHE 121 CO 0.02 0.22 -0.13 0.00 0.70 0.00 0.00 175.22 176.03 1r67 s ALA 122 N -3.13 1.10 0.26 5.36 0.00 -0.07 -1.07 121.76 124.21 1r67 s ALA 122 Ca 0.22 -0.82 -0.11 0.00 0.00 0.00 0.00 51.96 51.25 1r67 s ALA 122 Cb 0.02 -0.15 -0.00 0.00 0.00 0.00 0.00 23.12 22.98 1r67 s ALA 122 CO 0.06 0.19 0.48 0.00 0.00 0.00 0.00 175.76 176.49 1r67 s ALA 123 N -0.92 -0.09 -0.06 0.00 0.00 -0.66 -0.24 121.76 119.79 1r67 s ALA 123 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 50.98 1r67 s ALA 123 Cb -0.08 1.08 -0.03 0.00 0.00 0.00 0.00 23.12 24.09 1r67 s ALA 123 CO 0.01 -0.84 -0.03 1.03 0.00 0.00 0.00 175.76 175.93 1r67 s ARG 124 N -3.85 2.83 0.47 0.00 0.52 -1.26 -0.91 118.95 116.75 1r67 s ARG 124 Ca 0.24 -0.51 -0.21 0.00 -0.52 0.00 0.00 55.73 54.72 1r67 s ARG 124 Cb -0.01 -2.68 -0.09 0.00 0.52 0.00 0.00 34.95 32.70 1r67 s ARG 124 CO 0.11 0.67 1.04 0.95 0.02 0.00 0.00 175.30 178.09 1r67 s THR 125 N -0.89 3.77 0.00 0.02 -4.23 0.40 -1.09 115.64 113.63 1r67 s THR 125 Ca 0.14 1.16 0.00 0.00 -1.18 0.00 0.00 61.69 61.81 1r67 s THR 125 Cb -0.11 -3.50 0.00 0.00 1.34 0.00 0.00 72.50 70.23 1r67 s THR 125 CO 0.03 -0.19 0.74 0.35 -0.54 0.00 0.00 174.62 175.02 1r67 n THR 126 N -0.77 0.54 -4.03 3.99 -2.24 0.91 -4.44 114.28 108.23 1r67 n THR 126 Ca 0.08 -0.70 -0.12 0.00 -2.27 0.00 0.00 64.05 61.05 1r67 n THR 126 Cb 0.52 0.78 -0.04 0.00 -2.10 0.00 0.00 70.33 69.49 1r67 n THR 126 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1r67 s SER 127 N -0.54 0.42 0.45 3.42 1.04 -1.24 -4.93 113.70 112.31 1r67 s SER 127 Ca 0.00 -1.24 -0.22 0.00 0.48 0.00 0.00 55.95 54.96 1r67 s SER 127 Cb 0.00 0.64 -0.08 0.00 0.10 0.00 0.00 66.02 66.68 1r67 s SER 127 CO 0.00 -1.25 1.09 0.00 0.98 0.00 0.00 173.24 174.06 1r67 s ALA 128 N -3.39 2.96 0.46 5.32 0.00 -1.26 -4.69 121.76 121.16 1r67 s ALA 128 Ca 0.27 0.76 -0.25 0.00 0.00 0.00 0.00 51.96 52.74 1r67 s ALA 128 Cb -0.01 -3.31 -0.08 0.00 0.00 0.00 0.00 23.12 19.73 1r67 s ALA 128 CO 0.15 -0.43 1.41 -0.51 0.00 0.00 0.00 175.76 176.38 1r67 s LEU 129 N -3.06 4.08 -0.25 0.00 1.43 -1.26 -4.53 118.68 115.10 1r67 s LEU 129 Ca 0.63 2.87 -0.01 0.00 -1.03 0.00 0.00 54.13 56.59 1r67 s LEU 129 Cb -0.23 -3.98 0.07 0.00 0.03 0.00 0.00 46.19 42.08 1r67 s LEU 129 CO 0.28 -1.20 0.04 -1.58 0.23 0.00 0.00 176.35 174.11 1r67 s GLN 130 N -2.50 0.91 0.06 1.70 0.74 0.17 -4.97 119.66 115.78 1r67 s GLN 130 Ca 0.62 -0.80 -0.30 0.00 0.05 0.00 0.00 55.36 54.93 1r67 s GLN 130 Cb -0.43 -2.20 -0.05 0.00 1.10 0.00 0.00 33.01 31.43 1r67 s GLN 130 CO 0.54 -0.75 0.99 0.42 -0.55 0.00 0.00 175.29 175.94 1r67 s ILE 131 N 1.65 4.62 -0.55 -2.34 -1.09 -1.26 -1.93 121.20 120.30 1r67 s ILE 131 Ca 0.02 2.02 -0.22 0.00 -2.23 0.00 0.00 60.65 60.24 1r67 s ILE 131 Cb -0.18 -4.29 0.05 0.00 -1.58 0.00 0.00 42.46 36.46 1r67 s ILE 131 CO -0.13 0.24 0.83 0.21 -1.23 0.00 0.00 174.94 174.85 1r67 s ASN 132 N 0.50 6.28 0.00 3.58 3.84 -0.70 -4.94 114.94 123.51 1r67 s ASN 132 Ca 0.50 -0.62 0.25 0.00 0.21 0.00 0.00 52.86 53.20 1r67 s ASN 132 Cb -0.23 -2.38 1.50 0.00 -0.55 0.00 0.00 41.25 39.59 1r67 s ASN 132 CO 0.29 -1.13 1.89 -0.90 -2.79 0.00 0.00 177.10 174.47 1r67 n ASP 133 N 7.02 0.00 0.26 -4.21 5.68 -1.26 -1.27 116.55 122.77 1r67 n ASP 133 Ca -0.02 -0.96 0.15 0.00 -0.50 0.00 0.00 54.79 53.47 1r67 n ASP 133 Cb 0.46 0.00 0.55 0.00 -1.14 0.00 0.00 41.12 41.00 1r67 n ASP 133 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1r67 h ASP 134 N 0.00 0.00 0.00 -1.12 3.32 -1.96 -3.36 116.42 113.30 1r67 h ASP 134 Ca 0.00 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 1r67 h ASP 134 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1r67 h ASP 134 CO 0.00 0.04 -1.40 -0.62 -1.72 0.00 0.00 179.24 175.55 1r67 n GLU 135 N -3.14 1.42 -4.27 3.56 -0.58 -0.40 -4.73 120.64 112.49 1r67 n GLU 135 Ca 0.01 0.02 -0.26 0.00 -0.42 0.00 0.00 57.16 56.51 1r67 n GLU 135 Cb 0.37 -1.14 -0.17 0.00 -0.57 0.00 0.00 31.44 29.93 1r67 n GLU 135 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1r67 s VAL 136 N -2.14 1.15 -1.12 2.62 1.01 -0.63 -0.68 120.40 120.61 1r67 s VAL 136 Ca -0.07 -0.43 0.18 0.00 0.00 0.00 0.00 61.98 61.67 1r67 s VAL 136 Cb 0.02 -1.09 -0.13 0.00 0.00 0.00 0.00 36.38 35.18 1r67 s VAL 136 CO 0.19 0.37 0.81 1.15 0.00 0.00 0.00 175.10 177.63 1r67 n MET 137 N 4.34 1.28 -3.57 2.72 0.00 -0.18 -4.20 117.12 117.51 1r67 n MET 137 Ca -0.18 -0.29 -0.06 0.00 0.00 0.00 0.00 57.70 57.17 1r67 n MET 137 Cb 0.51 -1.34 -0.02 0.00 0.00 0.00 0.00 33.22 32.37 1r67 n MET 137 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 1r67 s ASP 138 N -2.49 -0.25 0.22 3.17 -1.08 -1.24 -4.99 116.67 110.00 1r67 s ASP 138 Ca 0.10 -0.05 -0.21 0.00 -0.52 0.00 0.00 52.55 51.87 1r67 s ASP 138 Cb 0.14 0.30 0.04 0.00 -1.46 0.00 0.00 42.92 41.94 1r67 s ASP 138 CO 0.64 -0.50 0.63 -0.72 0.52 0.00 0.00 175.17 175.75 1r67 s TYR 139 N -2.86 -0.28 -0.11 -5.34 -0.85 -1.26 -0.59 117.35 106.06 1r67 s TYR 139 Ca 0.08 -0.06 -0.10 0.00 -0.52 0.00 0.00 57.07 56.47 1r67 s TYR 139 Cb -0.01 0.58 0.03 0.00 0.38 0.00 0.00 41.96 42.95 1r67 s TYR 139 CO -0.06 -1.04 0.29 -1.14 -1.52 0.00 0.00 175.55 172.09 1r67 s GLN 140 N -3.85 0.33 -0.15 -3.49 2.00 -0.00 -4.98 119.66 109.52 1r67 s GLN 140 Ca 0.07 0.43 -0.20 0.00 -2.00 0.00 0.00 55.36 53.66 1r67 s GLN 140 Cb -0.03 0.14 -0.03 0.00 0.80 0.00 0.00 33.01 33.89 1r67 s GLN 140 CO -0.02 -0.05 0.58 -1.58 -0.50 0.00 0.00 175.29 173.72 1r67 s TRP 141 N 0.28 3.45 0.14 1.67 0.52 -1.26 -0.97 118.94 122.76 1r67 s TRP 141 Ca -0.01 0.95 -0.00 0.00 0.02 0.00 0.00 56.10 57.06 1r67 s TRP 141 Cb -0.03 -2.71 -0.04 0.00 -1.15 0.00 0.00 33.47 29.54 1r67 s TRP 141 CO -0.01 -0.02 0.03 0.00 0.02 0.00 0.00 176.95 176.97 1r67 s ASP 143 N -3.08 7.26 0.25 0.00 1.01 -1.26 -0.44 116.67 120.41 1r67 s ASP 143 Ca 0.22 1.66 -0.03 0.00 0.71 0.00 0.00 52.55 55.10 1r67 s ASP 143 Cb 0.07 -2.56 0.47 0.00 1.01 0.00 0.00 42.92 41.90 1r67 s ASP 143 CO 0.01 -0.39 1.75 0.25 0.21 0.00 0.00 175.17 177.00 1r67 h LEU 144 N 7.45 0.39 -1.18 1.23 5.85 -1.93 -1.09 115.31 126.03 1r67 h LEU 144 Ca -0.36 0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.47 1r67 h LEU 144 Cb 1.18 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.22 1r67 h LEU 144 CO 0.81 0.17 0.55 0.00 -0.34 0.00 0.00 178.44 179.63 1r67 h ALA 145 N 1.53 1.41 -0.51 1.25 0.00 -1.98 0.17 119.26 121.14 1r67 h ALA 145 Ca 0.42 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.24 1r67 h ALA 145 Cb 0.60 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1r67 h ALA 145 CO -0.37 0.54 0.18 -0.44 0.00 0.00 0.00 179.25 179.16 1r67 h ASP 146 N 1.12 0.73 -0.54 0.00 3.32 -1.62 -0.97 116.42 118.46 1r67 h ASP 146 Ca 0.31 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 1r67 h ASP 146 Cb -0.11 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.22 1r67 h ASP 146 CO -0.07 0.72 0.28 0.58 -1.72 0.00 0.00 179.24 179.04 1r67 h VAL 147 N 0.69 1.19 -0.53 -1.35 2.07 -0.88 -0.36 116.25 117.08 1r67 h VAL 147 Ca 0.17 -0.50 -0.05 0.00 0.82 0.00 0.00 66.70 67.14 1r67 h VAL 147 Cb 0.24 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1r67 h VAL 147 CO -0.01 0.21 0.13 -0.07 0.02 0.00 0.00 177.57 177.85 1r67 h LEU 148 N 0.73 0.75 -0.65 2.57 3.38 -0.56 0.12 115.31 121.65 1r67 h LEU 148 Ca 0.19 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 1r67 h LEU 148 Cb 0.07 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1r67 h LEU 148 CO -0.03 0.74 0.07 0.45 0.09 0.00 0.00 178.44 179.75 1r67 h HIS 149 N 0.78 1.19 -0.06 1.13 3.86 -0.37 -1.12 115.15 120.56 1r67 h HIS 149 Ca 0.17 -0.18 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1r67 h HIS 149 Cb 0.28 -0.32 -0.00 0.00 1.06 0.00 0.00 27.41 28.43 1r67 h HIS 149 CO 0.02 1.01 0.02 0.78 0.86 0.00 0.00 177.93 180.62 1r67 h GLY 150 N 1.02 0.11 0.35 2.45 0.00 -0.72 -1.02 103.07 105.27 1r67 h GLY 150 Ca 0.19 -0.06 0.13 0.00 0.00 0.00 0.00 47.33 47.59 1r67 h GLY 150 CO 0.02 0.06 0.49 -2.22 0.00 0.00 0.00 176.54 174.89 1r67 h ILE 151 N -0.07 0.82 -0.04 2.60 2.04 -0.93 0.29 117.51 122.21 1r67 h ILE 151 Ca 0.02 -0.26 -0.16 0.00 1.00 0.00 0.00 64.86 65.47 1r67 h ILE 151 Cb 0.19 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.26 1r67 h ILE 151 CO -0.00 0.14 -0.68 0.44 0.00 0.00 0.00 178.15 178.05 1r67 h ASP 152 N 0.75 0.24 0.12 1.72 3.32 -1.00 -3.01 116.42 118.56 1r67 h ASP 152 Ca 0.46 -0.15 -0.28 0.00 0.02 0.00 0.00 57.03 57.07 1r67 h ASP 152 Cb 0.55 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.03 1r67 h ASP 152 CO -0.31 0.85 -1.43 0.00 -1.72 0.00 0.00 179.24 176.63 1r67 h ALA 153 N 1.15 0.16 -2.08 3.45 0.00 -0.72 -3.42 119.26 117.80 1r67 h ALA 153 Ca -0.02 -1.08 -0.56 0.00 0.00 0.00 0.00 54.91 53.26 1r67 h ALA 153 Cb 1.21 0.46 -0.40 0.00 0.00 0.00 0.00 17.79 19.06 1r67 h ALA 153 CO 0.10 0.83 -0.94 0.25 0.00 0.00 0.00 179.25 179.50 1r67 n THR 154 N -3.89 0.62 0.26 0.00 -2.24 0.98 -4.95 114.28 105.07 1r67 n THR 154 Ca -0.25 -4.61 0.11 0.00 -2.27 0.00 0.00 64.05 57.03 1r67 n THR 154 Cb 0.92 -1.61 0.71 0.00 -2.10 0.00 0.00 70.33 68.25 1r67 n THR 154 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1r67 h PRO 155 N 3.74 0.00 0.00 -0.78 0.13 -1.68 -0.72 132.00 132.69 1r67 h PRO 155 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1r67 h PRO 155 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1r67 h PRO 155 CO 0.61 0.07 0.00 -2.67 -0.23 0.00 0.00 178.00 175.78 1r67 n TRP 156 N -4.07 0.27 0.67 1.56 4.27 -1.26 -1.84 117.44 117.04 1r67 n TRP 156 Ca -0.03 0.13 0.10 0.00 -3.89 0.00 0.00 57.50 53.81 1r67 n TRP 156 Cb 0.16 -0.70 0.27 0.00 -1.36 0.00 0.00 31.31 29.67 1r67 n TRP 156 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1r67 n ALA 157 N -1.60 2.45 -2.27 -1.67 0.00 -0.28 -4.89 120.51 112.26 1r67 n ALA 157 Ca 0.01 -0.78 -0.15 0.00 0.00 0.00 0.00 53.44 52.53 1r67 n ALA 157 Cb 0.09 -0.98 -0.10 0.00 0.00 0.00 0.00 19.45 18.46 1r67 n ALA 157 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1r67 s PHE 158 N -1.52 1.33 0.47 0.00 0.08 -0.77 -4.42 117.98 113.15 1r67 s PHE 158 Ca 0.34 -0.78 -0.24 0.00 0.12 0.00 0.00 56.93 56.36 1r67 s PHE 158 Cb 0.18 -0.69 -0.07 0.00 -0.57 0.00 0.00 43.02 41.87 1r67 s PHE 158 CO 0.25 0.07 1.32 -1.54 -0.10 0.00 0.00 175.22 175.22 1r67 s SER 159 N -3.20 5.88 0.42 1.36 1.04 -0.03 -4.87 113.70 114.30 1r67 s SER 159 Ca 0.19 2.67 0.10 0.00 0.48 0.00 0.00 55.95 59.38 1r67 s SER 159 Cb 0.03 -2.63 0.89 0.00 0.10 0.00 0.00 66.02 64.41 1r67 s SER 159 CO 0.02 -1.15 2.01 1.55 0.98 0.00 0.00 173.24 176.65 1r67 h PRO 160 N 2.11 0.31 -0.13 4.02 0.13 -1.92 -1.76 132.00 134.77 1r67 h PRO 160 Ca -0.50 -0.04 -0.18 0.00 -0.87 0.00 0.00 66.00 64.41 1r67 h PRO 160 Cb 1.27 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1r67 h PRO 160 CO 0.60 0.31 -0.66 -1.49 -0.23 0.00 0.00 178.00 176.54 1r67 h TRP 161 N 0.31 0.64 -0.75 1.56 4.06 -1.99 0.25 115.95 120.04 1r67 h TRP 161 Ca 0.08 -0.26 0.08 0.00 2.06 0.00 0.00 58.89 60.85 1r67 h TRP 161 Cb 0.15 -0.11 -0.07 0.00 -1.00 0.00 0.00 29.16 28.14 1r67 h TRP 161 CO 0.00 1.01 0.41 1.98 -3.56 0.00 0.00 178.44 178.28 1r67 h MET 162 N 0.35 0.70 -0.10 0.49 4.05 -1.77 0.26 114.93 118.91 1r67 h MET 162 Ca -0.02 -0.04 -0.04 0.00 -0.28 0.00 0.00 59.70 59.32 1r67 h MET 162 Cb 1.22 -0.16 -0.00 0.00 -0.80 0.00 0.00 31.60 31.86 1r67 h MET 162 CO 0.12 0.46 -0.10 0.28 0.23 0.00 0.00 176.91 177.90 1r67 h VAL 163 N 0.72 1.36 -0.53 -5.77 2.07 -1.05 -1.70 116.25 111.35 1r67 h VAL 163 Ca 0.35 -1.25 -0.04 0.00 0.82 0.00 0.00 66.70 66.59 1r67 h VAL 163 Cb 0.30 1.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 1r67 h VAL 163 CO -0.23 0.35 0.16 0.24 0.02 0.00 0.00 177.57 178.11 1r67 h MET 164 N -0.15 0.78 -0.45 1.57 2.86 -0.71 -1.58 114.93 117.26 1r67 h MET 164 Ca 0.02 -0.14 -0.12 0.00 -2.06 0.00 0.00 59.70 57.39 1r67 h MET 164 Cb 0.61 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 1r67 h MET 164 CO 0.02 0.69 -0.20 1.96 1.06 0.00 0.00 176.91 180.44 1r67 h GLN 165 N 0.76 0.90 0.00 1.72 4.20 -0.40 -3.08 115.11 119.21 1r67 h GLN 165 Ca 0.17 -0.36 0.00 0.00 0.06 0.00 0.00 58.65 58.52 1r67 h GLN 165 Cb 0.24 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.98 1r67 h GLN 165 CO -0.01 1.01 0.00 0.00 -0.67 0.00 0.00 178.83 179.17 1r67 n ALA 166 N -2.51 2.29 1.09 3.87 0.00 -0.65 -2.87 120.51 121.74 1r67 n ALA 166 Ca 0.00 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.49 1r67 n ALA 166 Cb 0.44 -1.46 0.16 0.00 0.00 0.00 0.00 19.45 18.58 1r67 n ALA 166 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1r67 n THR 167 N -1.74 0.00 -2.07 0.00 -2.24 -0.64 -4.57 114.28 103.02 1r67 n THR 167 Ca 0.06 -0.39 -0.42 0.00 -2.27 0.00 0.00 64.05 61.03 1r67 n THR 167 Cb 0.36 1.23 -0.03 0.00 -2.10 0.00 0.00 70.33 69.80 1r67 n THR 167 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1r67 s ASN 168 N -2.14 6.66 0.22 3.42 3.84 -1.14 -4.94 114.94 120.87 1r67 s ASN 168 Ca 0.27 2.07 -0.07 0.00 0.21 0.00 0.00 52.86 55.35 1r67 s ASN 168 Cb 0.20 -2.53 0.35 0.00 -0.55 0.00 0.00 41.25 38.72 1r67 s ASN 168 CO 0.38 -0.96 1.75 0.03 -2.79 0.00 0.00 177.10 175.51 1r67 h ARG 169 N 9.57 0.46 -0.18 0.43 3.08 -1.90 -0.01 114.38 125.83 1r67 h ARG 169 Ca -0.37 -0.03 -0.15 0.00 0.07 0.00 0.00 59.98 59.51 1r67 h ARG 169 Cb 1.16 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.11 1r67 h ARG 169 CO 0.96 0.30 -0.46 0.93 -1.07 0.00 0.00 179.97 180.64 1r67 h GLU 170 N 0.47 0.62 -0.85 0.04 3.07 -1.93 -2.17 114.58 113.84 1r67 h GLU 170 Ca 0.35 -0.43 -0.00 0.00 -0.50 0.00 0.00 59.36 58.78 1r67 h GLU 170 Cb 0.46 0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 28.39 1r67 h GLU 170 CO -0.33 1.05 0.52 0.00 -1.40 0.00 0.00 179.01 178.85 1r67 h ALA 171 N 0.57 1.08 -0.77 3.43 0.00 -1.62 -2.21 119.26 119.75 1r67 h ALA 171 Ca -0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1r67 h ALA 171 Cb 1.07 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 1r67 h ALA 171 CO 0.10 0.54 0.41 -0.09 0.00 0.00 0.00 179.25 180.20 1r67 h ARG 172 N 1.17 1.08 -0.44 0.00 2.43 -0.87 -0.76 114.38 116.98 1r67 h ARG 172 Ca 0.31 -0.13 -0.03 0.00 -0.81 0.00 0.00 59.98 59.32 1r67 h ARG 172 Cb -0.06 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.27 1r67 h ARG 172 CO -0.06 0.81 0.16 -0.22 -1.51 0.00 0.00 179.97 179.15 1r67 h LYS 173 N 1.06 0.62 -0.44 0.20 3.64 -1.03 -1.29 116.57 119.33 1r67 h LYS 173 Ca 0.27 -0.09 -0.08 0.00 -1.27 0.00 0.00 60.65 59.48 1r67 h LYS 173 Cb 0.05 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1r67 h LYS 173 CO -0.04 0.52 -0.05 0.00 -2.27 0.00 0.00 179.45 177.62 1r67 h ARG 174 N 0.62 0.82 -0.63 1.90 2.47 -0.68 -2.15 114.38 116.72 1r67 h ARG 174 Ca 0.15 -0.28 0.05 0.00 -1.26 0.00 0.00 59.98 58.63 1r67 h ARG 174 Cb 0.14 -0.06 -0.05 0.00 -1.65 0.00 0.00 29.97 28.35 1r67 h ARG 174 CO -0.01 0.90 0.35 -0.07 0.56 0.00 0.00 179.97 181.70 1r67 h LEU 175 N 0.65 0.54 -1.36 3.04 3.38 -0.51 -0.73 115.31 120.32 1r67 h LEU 175 Ca 0.12 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.17 1r67 h LEU 175 Cb 0.56 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 1r67 h LEU 175 CO 0.03 0.36 0.48 0.28 0.09 0.00 0.00 178.44 179.68 1r67 h SER 176 N 0.67 0.70 0.03 -0.43 0.02 -1.09 -0.67 113.55 112.78 1r67 h SER 176 Ca 0.27 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.21 1r67 h SER 176 Cb 0.13 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.52 1r67 h SER 176 CO -0.16 0.46 -0.04 0.00 -1.14 0.00 0.00 176.83 175.96 1r67 h ALA 177 N 1.60 1.89 -0.00 3.77 0.00 -0.46 -2.39 119.26 123.66 1r67 h ALA 177 Ca 0.30 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1r67 h ALA 177 Cb 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1r67 h ALA 177 CO -0.10 0.09 -0.00 1.19 0.00 0.00 0.00 179.25 180.43 1r67 n PHE 178 N -4.47 0.00 0.83 0.00 3.01 -0.26 -2.84 117.46 113.73 1r67 n PHE 178 Ca -0.02 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.56 1r67 n PHE 178 Cb 0.14 -0.03 0.34 0.00 -0.01 0.00 0.00 39.48 39.91 1r67 n PHE 178 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1r67 n THR 179 N -0.91 0.18 -1.81 4.37 -2.24 -0.90 -4.39 114.28 108.57 1r67 n THR 179 Ca 0.22 -0.11 -0.41 0.00 -2.27 0.00 0.00 64.05 61.48 1r67 n THR 179 Cb 0.15 -0.15 -0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1r67 n THR 179 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1r67 s GLN 180 N -3.06 4.12 0.12 -0.78 0.74 -1.13 -4.28 119.66 115.40 1r67 s GLN 180 Ca 0.10 2.56 -0.31 0.00 0.05 0.00 0.00 55.36 57.76 1r67 s GLN 180 Cb 0.16 -2.97 -0.10 0.00 1.10 0.00 0.00 33.01 31.20 1r67 s GLN 180 CO 0.65 -0.52 1.70 -1.17 -0.55 0.00 0.00 175.29 175.40 1r67 s LEU 181 N -2.08 4.38 -0.27 3.68 2.96 -1.26 -4.20 118.68 121.89 1r67 s LEU 181 Ca 0.53 2.65 -0.03 0.00 -0.22 0.00 0.00 54.13 57.06 1r67 s LEU 181 Cb -0.46 -3.57 0.03 0.00 0.50 0.00 0.00 46.19 42.68 1r67 s LEU 181 CO 0.63 -0.92 -0.02 -0.54 -1.32 0.00 0.00 176.35 174.17 1r67 s LYS 182 N 2.18 2.80 0.00 1.98 -0.14 0.51 -5.02 119.74 122.04 1r67 s LYS 182 Ca 0.75 -1.01 0.26 0.00 -1.36 0.00 0.00 55.97 54.61 1r67 s LYS 182 Cb -0.44 -3.09 0.63 0.00 -1.68 0.00 0.00 37.83 33.25 1r67 s LYS 182 CO 0.33 -0.45 1.51 1.28 -0.76 0.00 0.00 175.35 177.26