#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k87 s TYR 2 N 0.00 2.15 -0.19 2.03 6.14 -1.26 -4.97 117.35 121.25 2k87 s TYR 2 Ca 0.00 1.59 0.19 0.00 0.64 0.00 0.00 57.07 59.49 2k87 s TYR 2 Cb 0.00 -3.43 0.47 0.00 0.42 0.00 0.00 41.96 39.42 2k87 s TYR 2 CO 0.00 -2.45 1.16 2.41 0.64 0.00 0.00 175.55 177.30 2k87 n THR 3 N -2.63 1.35 -1.63 4.34 -1.04 -1.26 -5.10 114.28 108.31 2k87 n THR 3 Ca 0.13 -2.76 -0.44 0.00 -2.04 0.00 0.00 64.05 58.93 2k87 n THR 3 Cb 0.50 0.49 -0.02 0.00 -1.82 0.00 0.00 70.33 69.49 2k87 n THR 3 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 2k87 n GLU 4 N -0.42 1.63 -2.64 -2.82 0.28 -1.26 -4.99 120.64 110.41 2k87 n GLU 4 Ca 0.16 0.57 -0.38 0.00 -0.16 0.00 0.00 57.16 57.36 2k87 n GLU 4 Cb 0.91 -2.04 -0.05 0.00 1.43 0.00 0.00 31.44 31.68 2k87 n GLU 4 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 2k87 s GLN 5 N -1.40 4.47 0.60 3.44 1.11 -1.26 -5.05 119.66 121.57 2k87 s GLN 5 Ca 0.60 1.48 -0.18 0.00 0.01 0.00 0.00 55.36 57.27 2k87 s GLN 5 Cb -0.67 -2.81 -0.03 0.00 -1.01 0.00 0.00 33.01 28.49 2k87 s GLN 5 CO 0.59 0.14 1.18 -1.25 0.01 0.00 0.00 175.29 175.95 2k87 s PRO 6 N -2.05 2.96 -0.59 2.91 0.04 -1.26 -4.86 135.00 132.15 2k87 s PRO 6 Ca 0.51 1.71 -0.26 0.00 0.04 0.00 0.00 61.00 63.00 2k87 s PRO 6 Cb -0.22 -1.94 -0.08 0.00 0.04 0.00 0.00 34.50 32.30 2k87 s PRO 6 CO 0.28 -1.19 2.33 0.42 0.04 0.00 0.00 177.00 178.88 2k87 s ILE 7 N -1.78 3.07 0.00 0.56 1.01 -1.26 -3.64 121.20 119.16 2k87 s ILE 7 Ca 0.75 0.01 0.00 0.00 0.00 0.00 0.00 60.65 61.40 2k87 s ILE 7 Cb -0.27 -3.17 0.00 0.00 0.01 0.00 0.00 42.46 39.03 2k87 s ILE 7 CO 0.34 -0.16 0.00 -0.67 0.00 0.00 0.00 174.94 174.45 2k87 n ASP 8 N 16.12 -0.61 -4.77 3.58 2.03 -1.26 -4.90 116.55 126.74 2k87 n ASP 8 Ca 0.37 0.30 -0.39 0.00 0.52 0.00 0.00 54.79 55.60 2k87 n ASP 8 Cb 0.52 -0.77 -0.02 0.00 -0.72 0.00 0.00 41.12 40.13 2k87 n ASP 8 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2k87 s LEU 9 N -3.67 4.30 -0.18 -2.67 1.43 -1.24 -4.20 118.68 112.45 2k87 s LEU 9 Ca 0.00 2.41 -0.10 0.00 -1.03 0.00 0.00 54.13 55.41 2k87 s LEU 9 Cb 0.00 -3.88 0.06 0.00 0.03 0.00 0.00 46.19 42.40 2k87 s LEU 9 CO 0.00 -0.57 0.43 0.68 0.23 0.00 0.00 176.35 177.12 2k87 s VAL 10 N -1.31 -0.02 0.86 -1.59 -7.23 -1.19 -4.96 120.40 104.95 2k87 s VAL 10 Ca 0.53 0.08 -0.10 0.00 -1.81 0.00 0.00 61.98 60.68 2k87 s VAL 10 Cb -0.33 -0.64 0.11 0.00 0.56 0.00 0.00 36.38 36.08 2k87 s VAL 10 CO 0.42 0.03 1.13 -2.84 -0.31 0.00 0.00 175.10 173.54 2k87 s PRO 11 N 1.35 1.49 0.00 4.82 0.02 -1.26 -1.60 135.00 139.82 2k87 s PRO 11 Ca -0.09 1.43 0.00 0.00 0.02 0.00 0.00 61.00 62.36 2k87 s PRO 11 Cb -0.08 -1.79 0.00 0.00 0.02 0.00 0.00 34.50 32.65 2k87 s PRO 11 CO -0.13 -2.26 0.00 -2.37 -0.33 0.00 0.00 177.00 171.91 2k87 n THR 12 N -3.93 0.00 -3.99 0.99 5.66 -0.88 -4.73 114.28 107.40 2k87 n THR 12 Ca 0.11 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 61.02 2k87 n THR 12 Cb 0.52 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.23 2k87 n THR 12 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 2k87 s GLN 13 N -1.80 1.05 0.76 1.09 -0.21 -1.26 -3.42 119.66 115.87 2k87 s GLN 13 Ca 0.00 -1.19 -0.11 0.00 0.02 0.00 0.00 55.36 54.08 2k87 s GLN 13 Cb 0.00 0.34 0.05 0.00 1.00 0.00 0.00 33.01 34.40 2k87 s GLN 13 CO 0.00 -0.36 1.10 -2.14 -2.12 0.00 0.00 175.29 171.77 2k87 s PRO 14 N -3.97 2.28 0.40 2.91 0.02 -1.26 -4.94 135.00 130.45 2k87 s PRO 14 Ca 0.16 1.21 -0.25 0.00 0.02 0.00 0.00 61.00 62.15 2k87 s PRO 14 Cb 0.04 -1.90 -0.08 0.00 0.02 0.00 0.00 34.50 32.58 2k87 s PRO 14 CO -0.02 -1.63 1.16 -0.51 -0.33 0.00 0.00 177.00 175.68 2k87 s LEU 15 N -5.81 4.19 0.30 -5.54 2.01 -1.25 -5.00 118.68 107.58 2k87 s LEU 15 Ca 0.62 2.33 -0.28 0.00 0.01 0.00 0.00 54.13 56.81 2k87 s LEU 15 Cb -0.18 -4.03 -0.09 0.00 0.01 0.00 0.00 46.19 41.89 2k87 s LEU 15 CO 0.54 -0.67 1.04 -2.16 1.01 0.00 0.00 176.35 176.11 2k87 s PRO 16 N -2.32 4.59 0.00 1.29 0.04 -1.26 -3.39 135.00 133.95 2k87 s PRO 16 Ca 0.57 1.64 0.00 0.00 0.04 0.00 0.00 61.00 63.25 2k87 s PRO 16 Cb -0.30 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.19 2k87 s PRO 16 CO 0.38 0.22 0.00 0.09 0.04 0.00 0.00 177.00 177.73 2k87 n ASN 17 N 0.96 0.00 -4.73 6.66 3.02 -1.26 -4.81 115.26 115.10 2k87 n ASN 17 Ca 0.00 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.18 2k87 n ASN 17 Cb 0.47 -1.58 0.07 0.00 -0.61 0.00 0.00 39.78 38.13 2k87 n ASN 17 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k87 n ALA 18 N 1.00 1.10 -3.13 5.41 0.00 -1.22 -3.95 120.51 119.72 2k87 n ALA 18 Ca 0.00 -0.02 -0.13 0.00 0.00 0.00 0.00 53.44 53.30 2k87 n ALA 18 Cb 0.00 -2.32 -0.11 0.00 0.00 0.00 0.00 19.45 17.01 2k87 n ALA 18 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2k87 s SER 19 N -1.42 -0.21 0.52 0.00 0.01 0.53 -4.92 113.70 108.21 2k87 s SER 19 Ca 0.82 0.35 -0.22 0.00 1.31 0.00 0.00 55.95 58.22 2k87 s SER 19 Cb -0.37 0.44 -0.06 0.00 0.21 0.00 0.00 66.02 66.23 2k87 s SER 19 CO 0.41 -0.16 1.27 0.12 0.41 0.00 0.00 173.24 175.29 2k87 s PHE 20 N -0.23 2.52 0.38 2.43 5.36 -1.26 -1.51 117.98 125.67 2k87 s PHE 20 Ca -0.03 1.45 0.06 0.00 -0.96 0.00 0.00 56.93 57.45 2k87 s PHE 20 Cb -0.03 -3.61 -0.07 0.00 -0.34 0.00 0.00 43.02 38.97 2k87 s PHE 20 CO 0.01 -2.31 0.01 -0.51 -1.46 0.00 0.00 175.22 170.96 2k87 s ASP 21 N -1.17 3.45 0.00 6.13 1.01 -1.26 -4.88 116.67 119.95 2k87 s ASP 21 Ca 0.69 -1.35 0.00 0.00 0.71 0.00 0.00 52.55 52.61 2k87 s ASP 21 Cb -0.35 -0.31 0.00 0.00 1.01 0.00 0.00 42.92 43.27 2k87 s ASP 21 CO 0.41 -0.46 0.32 -3.20 0.21 0.00 0.00 175.17 172.46 2k87 n ASN 22 N -0.86 0.18 -4.73 0.27 5.15 -1.26 -4.84 115.26 109.17 2k87 n ASN 22 Ca -0.04 -0.82 -0.36 0.00 -0.60 0.00 0.00 54.58 52.76 2k87 n ASN 22 Cb 0.66 -0.09 0.08 0.00 -0.53 0.00 0.00 39.78 39.90 2k87 n ASN 22 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 2k87 s PHE 23 N -1.55 2.08 0.22 1.20 -0.12 -1.26 -0.48 117.98 118.06 2k87 s PHE 23 Ca 0.00 1.55 0.08 0.00 -0.05 0.00 0.00 56.93 58.51 2k87 s PHE 23 Cb 0.00 -3.57 -0.05 0.00 -0.63 0.00 0.00 43.02 38.77 2k87 s PHE 23 CO 0.00 -2.72 -0.14 0.21 -0.05 0.00 0.00 175.22 172.52 2k87 s LYS 24 N -3.63 1.37 0.04 1.99 2.20 -1.01 -4.84 119.74 115.86 2k87 s LYS 24 Ca 0.78 -1.62 0.06 0.00 -0.36 0.00 0.00 55.97 54.84 2k87 s LYS 24 Cb -0.33 -1.18 -0.03 0.00 -1.51 0.00 0.00 37.83 34.78 2k87 s LYS 24 CO 0.42 0.19 -0.16 -0.48 -0.36 0.00 0.00 175.35 174.96 2k87 s LEU 25 N -3.34 2.73 0.34 5.43 0.05 -1.26 -1.49 118.68 121.13 2k87 s LEU 25 Ca 0.24 -0.37 0.10 0.00 0.05 0.00 0.00 54.13 54.14 2k87 s LEU 25 Cb -0.01 -1.59 -0.06 0.00 -2.05 0.00 0.00 46.19 42.49 2k87 s LEU 25 CO 0.08 0.26 -0.08 0.42 -0.55 0.00 0.00 176.35 176.47 2k87 s THR 26 N -0.95 2.36 0.35 5.48 -4.23 -0.12 -4.81 115.64 113.72 2k87 s THR 26 Ca 0.15 -2.18 -0.13 0.00 -1.18 0.00 0.00 61.69 58.35 2k87 s THR 26 Cb -0.11 -2.64 0.05 0.00 1.34 0.00 0.00 72.50 71.14 2k87 s THR 26 CO 0.06 -0.22 0.70 0.00 -0.54 0.00 0.00 174.62 174.62 2k87 h SER 28 N 1.76 -0.18 -2.88 0.00 4.64 -2.01 -3.40 113.55 111.48 2k87 h SER 28 Ca -0.30 -0.17 -0.60 0.00 -0.47 0.00 0.00 61.79 60.26 2k87 h SER 28 Cb 1.10 0.05 -0.11 0.00 -0.31 0.00 0.00 62.40 63.12 2k87 h SER 28 CO 0.38 0.06 0.70 0.21 -0.87 0.00 0.00 176.83 177.31 2k87 s ASN 29 N -5.20 6.27 0.61 4.97 3.84 -1.26 -4.91 114.94 119.26 2k87 s ASN 29 Ca -0.15 -0.51 0.30 0.00 0.21 0.00 0.00 52.86 52.72 2k87 s ASN 29 Cb 0.04 -2.47 1.71 0.00 -0.55 0.00 0.00 41.25 39.97 2k87 s ASN 29 CO 0.63 -1.44 2.08 0.71 -2.79 0.00 0.00 177.10 176.29 2k87 h THR 30 N 6.02 0.35 0.14 -5.21 1.35 -1.95 0.31 112.91 113.93 2k87 h THR 30 Ca -0.27 0.00 -0.29 0.00 -0.55 0.00 0.00 66.41 65.30 2k87 h THR 30 Cb 1.07 0.80 0.02 0.00 -1.73 0.00 0.00 68.15 68.31 2k87 h THR 30 CO 1.16 0.00 -1.26 0.50 -0.25 0.00 0.00 175.52 175.67 2k87 h LYS 31 N 0.00 0.44 0.89 4.72 1.63 -1.93 -3.15 116.57 119.17 2k87 h LYS 31 Ca 0.08 -0.66 -0.04 0.00 -0.85 0.00 0.00 60.65 59.18 2k87 h LYS 31 Cb 0.55 0.23 0.00 0.00 -0.60 0.00 0.00 32.23 32.41 2k87 h LYS 31 CO -0.00 1.30 -0.46 0.35 -3.45 0.00 0.00 179.45 177.18 2k87 h PHE 32 N 0.16 -1.21 0.00 1.91 3.57 -1.17 0.10 116.94 120.30 2k87 h PHE 32 Ca -0.17 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.29 2k87 h PHE 32 Cb 1.95 0.41 -0.00 0.00 2.79 0.00 0.00 35.95 41.10 2k87 h PHE 32 CO 0.09 -0.73 -0.10 0.00 -2.23 0.00 0.00 178.31 175.35 2k87 h ALA 33 N -1.16 1.81 -0.10 2.41 0.00 -1.71 -0.97 119.26 119.54 2k87 h ALA 33 Ca -0.12 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 2k87 h ALA 33 Cb 0.96 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 2k87 h ALA 33 CO 0.18 0.12 -0.03 0.22 0.00 0.00 0.00 179.25 179.74 2k87 h ASP 34 N 0.00 0.20 -0.31 0.00 3.58 -1.41 -0.98 116.42 117.50 2k87 h ASP 34 Ca -0.00 -0.38 -0.00 0.00 0.42 0.00 0.00 57.03 57.07 2k87 h ASP 34 Cb 0.17 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.15 2k87 h ASP 34 CO 0.01 0.54 0.19 0.44 -2.88 0.00 0.00 179.24 177.54 2k87 h ASP 35 N -0.13 0.38 -0.74 2.28 3.32 -0.54 -1.54 116.42 119.44 2k87 h ASP 35 Ca 0.03 -0.06 0.03 0.00 0.02 0.00 0.00 57.03 57.05 2k87 h ASP 35 Cb 0.45 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.86 2k87 h ASP 35 CO 0.01 0.32 0.47 -0.07 -1.72 0.00 0.00 179.24 178.26 2k87 h LEU 36 N 0.40 0.79 -0.94 1.55 4.07 -1.15 -0.87 115.31 119.16 2k87 h LEU 36 Ca 0.11 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.07 2k87 h LEU 36 Cb 0.02 -0.18 -0.05 0.00 1.08 0.00 0.00 40.66 41.53 2k87 h LEU 36 CO -0.02 0.55 0.59 0.78 -1.08 0.00 0.00 178.44 179.26 2k87 h ASN 37 N 0.93 1.11 -0.48 -0.43 2.35 -0.89 -2.67 115.58 115.51 2k87 h ASN 37 Ca 0.29 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.98 2k87 h ASN 37 Cb -0.01 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.06 2k87 h ASN 37 CO -0.10 0.84 0.25 1.56 -1.65 0.00 0.00 177.43 178.33 2k87 h GLN 38 N 1.29 0.68 0.00 0.81 1.08 -0.41 -1.36 115.11 117.20 2k87 h GLN 38 Ca 0.34 -0.09 0.00 0.00 -1.45 0.00 0.00 58.65 57.46 2k87 h GLN 38 Cb -0.09 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.21 2k87 h GLN 38 CO -0.07 0.55 0.00 0.52 -0.95 0.00 0.00 178.83 178.88 2k87 h MET 39 N 0.63 0.00 -0.01 1.46 2.86 -0.82 -1.32 114.93 117.74 2k87 h MET 39 Ca 0.17 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 2k87 h MET 39 Cb 0.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.73 2k87 h MET 39 CO -0.02 0.00 -0.04 -2.37 1.06 0.00 0.00 176.91 175.53 2k87 n THR 40 N -2.90 0.00 -1.71 2.22 5.66 -1.19 -5.02 114.28 111.33 2k87 n THR 40 Ca -0.02 -0.48 0.00 0.00 -3.05 0.00 0.00 64.05 60.51 2k87 n THR 40 Cb 0.13 1.10 0.00 0.00 -1.55 0.00 0.00 70.33 70.01 2k87 n THR 40 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2k87 n GLY 41 N 0.48 0.73 3.76 1.09 0.00 -0.50 -5.00 105.19 105.76 2k87 n GLY 41 Ca 0.03 -0.69 -0.38 0.00 0.00 0.00 0.00 46.02 44.98 2k87 n GLY 41 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2k87 s PHE 42 N -2.17 2.49 -0.10 1.61 5.36 -0.55 -5.03 117.98 119.59 2k87 s PHE 42 Ca 0.00 1.39 -0.05 0.00 -0.96 0.00 0.00 56.93 57.31 2k87 s PHE 42 Cb 0.00 -3.72 0.05 0.00 -0.34 0.00 0.00 43.02 39.00 2k87 s PHE 42 CO 0.00 -2.54 0.23 0.99 -1.46 0.00 0.00 175.22 172.44 2k87 s THR 43 N -1.33 -0.05 0.95 0.12 2.01 -1.26 -4.86 115.64 111.22 2k87 s THR 43 Ca 0.67 0.16 -0.12 0.00 0.31 0.00 0.00 61.69 62.71 2k87 s THR 43 Cb -0.38 -0.36 0.16 0.00 0.01 0.00 0.00 72.50 71.92 2k87 s THR 43 CO 0.47 0.06 1.09 -0.54 -0.69 0.00 0.00 174.62 175.01 2k87 s LYS 44 N 1.28 0.77 0.04 4.92 1.02 -1.26 -4.29 119.74 122.23 2k87 s LYS 44 Ca -0.09 0.95 -0.30 0.00 0.02 0.00 0.00 55.97 56.54 2k87 s LYS 44 Cb -0.11 -1.74 -0.05 0.00 -0.52 0.00 0.00 37.83 35.41 2k87 s LYS 44 CO -0.08 -2.61 1.21 -1.25 -0.92 0.00 0.00 175.35 171.70 2k87 s PRO 45 N -4.79 4.41 0.59 -1.68 0.04 -1.26 -5.11 135.00 127.20 2k87 s PRO 45 Ca 0.65 1.78 -0.18 0.00 0.04 0.00 0.00 61.00 63.28 2k87 s PRO 45 Cb -0.20 -3.38 -0.04 0.00 0.04 0.00 0.00 34.50 30.92 2k87 s PRO 45 CO 0.59 -0.30 1.17 0.00 0.04 0.00 0.00 177.00 178.49 2k87 s ALA 46 N 1.28 2.57 0.33 8.56 0.00 -1.26 -4.93 121.76 128.31 2k87 s ALA 46 Ca 0.59 0.87 0.11 0.00 0.00 0.00 0.00 51.96 53.53 2k87 s ALA 46 Cb -0.29 -3.40 0.58 0.00 0.00 0.00 0.00 23.12 20.01 2k87 s ALA 46 CO 0.28 -1.06 1.75 1.03 0.00 0.00 0.00 175.76 177.76 2k87 h SER 47 N 0.84 0.05 -5.03 0.00 0.87 -1.10 -3.47 113.55 105.71 2k87 h SER 47 Ca -0.50 -0.02 0.07 0.00 -1.23 0.00 0.00 61.79 60.11 2k87 h SER 47 Cb 1.28 -0.01 -0.07 0.00 -0.44 0.00 0.00 62.40 63.15 2k87 h SER 47 CO 0.55 0.48 0.27 0.00 -0.53 0.00 0.00 176.83 177.60 2k87 s ARG 48 N -4.05 1.59 -0.40 2.24 1.70 -1.26 -4.96 118.95 113.80 2k87 s ARG 48 Ca -0.03 -0.83 0.02 0.00 -0.47 0.00 0.00 55.73 54.43 2k87 s ARG 48 Cb 0.14 0.57 0.12 0.00 -0.57 0.00 0.00 34.95 35.21 2k87 s ARG 48 CO 0.74 -0.72 0.16 -1.21 -1.08 0.00 0.00 175.30 173.19 2k87 s GLU 49 N -3.78 1.38 0.85 3.89 2.02 -1.26 -2.41 118.70 119.38 2k87 s GLU 49 Ca 0.09 -1.91 -0.12 0.00 0.02 0.00 0.00 54.97 53.06 2k87 s GLU 49 Cb -0.04 -2.74 0.10 0.00 0.10 0.00 0.00 34.13 31.55 2k87 s GLU 49 CO 0.02 -1.05 1.11 -0.51 0.02 0.00 0.00 175.26 174.86 2k87 s LEU 50 N 0.64 2.34 0.31 1.80 1.43 -0.55 -4.93 118.68 119.71 2k87 s LEU 50 Ca 0.14 1.17 0.05 0.00 -1.03 0.00 0.00 54.13 54.46 2k87 s LEU 50 Cb -0.22 -3.66 -0.06 0.00 0.03 0.00 0.00 46.19 42.28 2k87 s LEU 50 CO -0.08 -2.24 0.02 -0.55 0.23 0.00 0.00 176.35 173.73 2k87 s SER 51 N -3.93 2.52 0.00 2.29 0.15 -1.26 -0.95 113.70 112.53 2k87 s SER 51 Ca 0.62 -1.31 0.00 0.00 0.70 0.00 0.00 55.95 55.96 2k87 s SER 51 Cb -0.15 -0.12 -0.00 0.00 -1.71 0.00 0.00 66.02 64.04 2k87 s SER 51 CO 0.54 -0.52 -0.02 -0.69 1.20 0.00 0.00 173.24 173.76 2k87 s VAL 52 N -3.19 0.10 0.02 4.45 1.01 -0.48 -1.76 120.40 120.55 2k87 s VAL 52 Ca 0.34 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 62.16 2k87 s VAL 52 Cb 0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 36.38 36.32 2k87 s VAL 52 CO 0.14 -0.05 -0.06 0.42 0.00 0.00 0.00 175.10 175.56 2k87 s THR 53 N -0.23 0.41 -0.21 3.92 -4.23 -0.62 -4.29 115.64 110.40 2k87 s THR 53 Ca -0.02 -0.58 -0.08 0.00 -1.18 0.00 0.00 61.69 59.83 2k87 s THR 53 Cb -0.02 -0.42 -0.04 0.00 1.34 0.00 0.00 72.50 73.36 2k87 s THR 53 CO -0.00 -0.13 0.09 -0.36 -0.54 0.00 0.00 174.62 173.68 2k87 s PHE 54 N -0.69 3.23 0.65 3.99 0.08 -1.25 -0.19 117.98 123.80 2k87 s PHE 54 Ca -0.04 0.02 -0.17 0.00 0.12 0.00 0.00 56.93 56.85 2k87 s PHE 54 Cb -0.05 -2.16 -0.02 0.00 -0.57 0.00 0.00 43.02 40.21 2k87 s PHE 54 CO -0.00 0.03 1.03 0.34 -0.10 0.00 0.00 175.22 176.52 2k87 n PHE 55 N 4.01 0.99 -2.19 0.36 7.35 -0.98 -0.85 117.46 126.15 2k87 n PHE 55 Ca -0.16 0.42 -0.34 0.00 -0.76 0.00 0.00 57.45 56.61 2k87 n PHE 55 Cb 0.52 -2.14 -0.04 0.00 0.35 0.00 0.00 39.48 38.17 2k87 n PHE 55 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 2k87 s PRO 56 N -3.09 2.82 -0.21 -7.13 0.04 -1.26 -5.06 135.00 121.12 2k87 s PRO 56 Ca 0.77 -0.18 -0.10 0.00 0.04 0.00 0.00 61.00 61.53 2k87 s PRO 56 Cb -0.38 -4.84 0.08 0.00 0.04 0.00 0.00 34.50 29.39 2k87 s PRO 56 CO 0.46 -2.87 0.48 0.34 0.04 0.00 0.00 177.00 175.45 2k87 s ASP 57 N 7.08 -0.58 -0.01 6.66 -1.08 -0.03 -5.05 116.67 123.66 2k87 s ASP 57 Ca 0.61 1.09 0.18 0.00 -0.52 0.00 0.00 52.55 53.92 2k87 s ASP 57 Cb -0.07 1.16 0.31 0.00 -1.46 0.00 0.00 42.92 42.86 2k87 s ASP 57 CO 0.05 -0.21 1.13 0.00 0.52 0.00 0.00 175.17 176.65 2k87 n LEU 58 N 4.66 0.81 0.09 -1.34 -0.00 -1.26 -3.78 117.00 116.18 2k87 n LEU 58 Ca -0.18 -1.81 -0.05 0.00 -0.00 0.00 0.00 56.01 53.97 2k87 n LEU 58 Cb 0.54 -0.02 0.11 0.00 -0.00 0.00 0.00 43.42 44.04 2k87 n LEU 58 CO 0.03 0.47 0.44 0.78 -0.00 0.00 0.00 177.39 179.11 2k87 h ASN 59 N 0.72 0.22 -4.23 1.45 2.35 -1.95 -3.47 115.58 110.66 2k87 h ASN 59 Ca -0.16 -0.13 -0.48 0.00 -0.55 0.00 0.00 56.30 54.98 2k87 h ASN 59 Cb 1.72 -0.06 0.12 0.00 0.05 0.00 0.00 38.32 40.15 2k87 h ASN 59 CO 0.07 0.81 0.31 -0.83 -1.65 0.00 0.00 177.43 176.14 2k87 s GLY 60 N -4.38 1.62 0.46 2.83 0.00 -1.26 -4.94 107.32 101.64 2k87 s GLY 60 Ca -0.03 -0.20 0.20 0.00 0.00 0.00 0.00 44.72 44.69 2k87 s GLY 60 CO 0.80 0.25 1.98 -1.80 0.00 0.00 0.00 173.10 174.33 2k87 h ASP 61 N -1.24 0.00 -3.93 1.64 3.58 -1.88 -3.42 116.42 111.17 2k87 h ASP 61 Ca -0.48 0.00 -0.52 0.00 0.42 0.00 0.00 57.03 56.45 2k87 h ASP 61 Cb 1.28 0.00 -0.20 0.00 1.72 0.00 0.00 39.33 42.13 2k87 h ASP 61 CO 0.58 0.20 -0.80 -0.69 -2.88 0.00 0.00 179.24 175.66 2k87 s VAL 62 N -4.28 1.67 0.22 2.25 1.01 -0.72 -4.57 120.40 115.99 2k87 s VAL 62 Ca -0.03 -1.70 0.09 0.00 0.00 0.00 0.00 61.98 60.35 2k87 s VAL 62 Cb 0.14 -1.64 -0.05 0.00 0.00 0.00 0.00 36.38 34.83 2k87 s VAL 62 CO 0.65 -0.21 -0.17 -0.69 0.00 0.00 0.00 175.10 174.67 2k87 s VAL 63 N -1.63 2.03 -0.07 2.92 1.01 -1.12 -1.58 120.40 121.94 2k87 s VAL 63 Ca 0.10 -2.23 0.04 0.00 0.00 0.00 0.00 61.98 59.89 2k87 s VAL 63 Cb -0.08 -2.10 -0.00 0.00 0.00 0.00 0.00 36.38 34.20 2k87 s VAL 63 CO 0.05 -0.47 -0.20 0.00 0.00 0.00 0.00 175.10 174.48 2k87 s ALA 64 N -2.62 1.82 0.19 5.51 0.00 0.73 -1.33 121.76 126.06 2k87 s ALA 64 Ca 0.24 -0.80 0.09 0.00 0.00 0.00 0.00 51.96 51.49 2k87 s ALA 64 Cb -0.03 -0.66 -0.04 0.00 0.00 0.00 0.00 23.12 22.39 2k87 s ALA 64 CO 0.10 0.28 -0.12 0.42 0.00 0.00 0.00 175.76 176.43 2k87 s ILE 65 N 0.23 3.02 0.32 0.00 -1.09 0.23 -2.31 121.20 121.60 2k87 s ILE 65 Ca -0.11 -1.75 -0.26 0.00 -2.23 0.00 0.00 60.65 56.29 2k87 s ILE 65 Cb -0.15 -2.50 -0.10 0.00 -1.58 0.00 0.00 42.46 38.14 2k87 s ILE 65 CO 0.05 -0.12 0.96 1.51 -1.23 0.00 0.00 174.94 176.11 2k87 s ASP 66 N -2.84 7.29 0.62 3.58 -4.77 -1.26 -1.43 116.67 117.87 2k87 s ASP 66 Ca 0.24 1.88 0.36 0.00 -3.30 0.00 0.00 52.55 51.73 2k87 s ASP 66 Cb -0.08 -2.58 2.08 0.00 -1.09 0.00 0.00 42.92 41.24 2k87 s ASP 66 CO 0.14 -0.10 2.30 0.22 0.70 0.00 0.00 175.17 178.43 2k87 h TYR 67 N 3.18 0.00 0.00 2.11 5.03 -1.86 -1.60 116.97 123.83 2k87 h TYR 67 Ca -0.47 0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.84 2k87 h TYR 67 Cb 1.19 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.47 2k87 h TYR 67 CO 0.61 0.00 0.00 0.07 -1.32 0.00 0.00 178.16 177.52 2k87 h ARG 68 N 0.00 0.00 -0.02 1.82 0.11 -1.92 -1.63 114.38 112.74 2k87 h ARG 68 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2k87 h ARG 68 Cb 0.03 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.11 2k87 h ARG 68 CO -0.00 0.00 -0.10 0.72 0.10 0.00 0.00 179.97 180.69 2k87 n HIS 69 N -2.78 0.00 -2.10 4.08 8.25 -0.60 -4.82 115.22 117.25 2k87 n HIS 69 Ca -0.02 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.07 2k87 n HIS 69 Cb 0.09 -0.02 -0.03 0.00 1.12 0.00 0.00 29.99 31.15 2k87 n HIS 69 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 2k87 n TYR 70 N 0.29 3.39 -2.06 4.41 9.36 -0.62 -4.95 117.16 126.98 2k87 n TYR 70 Ca 0.15 -2.14 -0.30 0.00 3.32 0.00 0.00 57.90 58.92 2k87 n TYR 70 Cb 0.43 -2.51 0.00 0.00 -0.63 0.00 0.00 39.34 36.64 2k87 n TYR 70 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 2k87 s SER 71 N 5.17 6.27 0.00 2.98 0.01 -1.26 -4.97 113.70 121.89 2k87 s SER 71 Ca 0.60 1.34 0.11 0.00 1.31 0.00 0.00 55.95 59.31 2k87 s SER 71 Cb 0.04 -2.43 0.54 0.00 0.21 0.00 0.00 66.02 64.39 2k87 s SER 71 CO 0.09 -0.79 1.25 0.00 0.41 0.00 0.00 173.24 174.20 2k87 n ALA 72 N -2.56 1.66 0.22 1.44 0.00 -1.26 -2.00 120.51 118.01 2k87 n ALA 72 Ca 0.05 -0.05 0.06 0.00 0.00 0.00 0.00 53.44 53.50 2k87 n ALA 72 Cb 0.54 -1.18 0.49 0.00 0.00 0.00 0.00 19.45 19.30 2k87 n ALA 72 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2k87 h SER 73 N 0.00 0.00 -0.66 0.00 0.02 -1.97 -3.15 113.55 107.80 2k87 h SER 73 Ca 0.00 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.81 2k87 h SER 73 Cb 0.11 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 62.56 2k87 h SER 73 CO 0.00 0.24 0.17 0.49 -1.14 0.00 0.00 176.83 176.59 2k87 n PHE 74 N -4.12 2.23 -0.30 3.45 3.72 -0.85 -4.71 117.46 116.89 2k87 n PHE 74 Ca -0.02 -1.07 -0.05 0.00 -0.05 0.00 0.00 57.45 56.26 2k87 n PHE 74 Cb 0.30 -0.61 0.08 0.00 -0.94 0.00 0.00 39.48 38.31 2k87 n PHE 74 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 2k87 h LYS 75 N 2.94 1.20 -0.36 -1.08 1.63 -1.72 -1.46 116.57 117.73 2k87 h LYS 75 Ca 0.18 -0.19 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 2k87 h LYS 75 Cb 2.17 -0.21 0.00 0.00 -0.60 0.00 0.00 32.23 33.59 2k87 h LYS 75 CO 0.63 0.94 0.00 1.63 -3.45 0.00 0.00 179.45 179.20 2k87 n LYS 76 N -4.29 2.34 0.00 1.90 5.02 -1.26 -4.97 118.16 116.89 2k87 n LYS 76 Ca 0.08 -2.02 0.00 0.00 -2.02 0.00 0.00 58.31 54.35 2k87 n LYS 76 Cb 0.16 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 2k87 n LYS 76 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k87 n GLY 77 N 1.42 1.43 3.81 0.72 0.00 -0.55 -4.42 105.19 107.61 2k87 n GLY 77 Ca 0.19 -2.10 -0.08 0.00 0.00 0.00 0.00 46.02 44.03 2k87 n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k87 s ALA 78 N -1.25 -0.91 0.33 4.61 0.00 -1.26 -2.07 121.76 121.21 2k87 s ALA 78 Ca 0.00 -0.56 -0.06 0.00 0.00 0.00 0.00 51.96 51.34 2k87 s ALA 78 Cb 0.00 0.80 0.01 0.00 0.00 0.00 0.00 23.12 23.92 2k87 s ALA 78 CO 0.00 -1.00 0.50 -1.59 0.00 0.00 0.00 175.76 173.67 2k87 s LYS 79 N -3.22 1.88 0.00 0.00 0.00 -0.63 -4.07 119.74 113.70 2k87 s LYS 79 Ca 0.14 -1.64 0.00 0.00 0.00 0.00 0.00 55.97 54.47 2k87 s LYS 79 Cb -0.05 0.46 0.00 0.00 0.00 0.00 0.00 37.83 38.24 2k87 s LYS 79 CO 0.09 -0.79 0.00 -0.11 0.00 0.00 0.00 175.35 174.55 2k87 n LEU 80 N -0.53 0.00 -0.35 2.77 7.94 -0.10 -3.18 117.00 123.56 2k87 n LEU 80 Ca -0.01 0.00 -0.07 0.00 -1.11 0.00 0.00 56.01 54.82 2k87 n LEU 80 Cb 0.61 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.51 2k87 n LEU 80 CO 0.28 -0.06 0.43 -0.11 -1.11 0.00 0.00 177.39 176.82 2k87 n LEU 81 N 0.00 -0.80 0.00 -1.96 0.00 -1.26 -3.72 117.00 109.26 2k87 n LEU 81 Ca 0.00 1.49 0.00 0.00 0.00 0.00 0.00 56.01 57.50 2k87 n LEU 81 Cb 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 43.42 43.19 2k87 n LEU 81 CO 0.00 -1.25 0.12 0.00 0.00 0.00 0.00 177.39 176.26 2k87 n HIS 82 N -5.10 0.00 -3.90 1.96 1.44 -1.26 -5.13 115.22 103.23 2k87 n HIS 82 Ca 0.04 0.00 -0.21 0.00 -2.01 0.00 0.00 57.72 55.54 2k87 n HIS 82 Cb 0.25 0.03 -0.03 0.00 0.12 0.00 0.00 29.99 30.36 2k87 n HIS 82 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 2k87 s LYS 83 N 0.00 3.16 0.66 -1.40 1.02 -1.24 -5.12 119.74 116.83 2k87 s LYS 83 Ca 0.00 -0.94 -0.11 0.00 0.02 0.00 0.00 55.97 54.93 2k87 s LYS 83 Cb 0.00 -2.74 -0.01 0.00 -0.52 0.00 0.00 37.83 34.55 2k87 s LYS 83 CO 0.00 0.32 1.06 -1.25 -0.92 0.00 0.00 175.35 174.56 2k87 s PRO 84 N -3.98 3.22 0.15 -1.68 0.04 -1.26 -0.92 135.00 130.57 2k87 s PRO 84 Ca 0.37 0.64 0.05 0.00 0.04 0.00 0.00 61.00 62.10 2k87 s PRO 84 Cb -0.08 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 2k87 s PRO 84 CO 0.28 -0.82 -0.12 0.96 0.04 0.00 0.00 177.00 177.35 2k87 s ILE 85 N -3.24 1.29 0.37 0.56 -5.25 -1.26 -2.81 121.20 110.86 2k87 s ILE 85 Ca 0.57 -2.01 0.04 0.00 -0.99 0.00 0.00 60.65 58.25 2k87 s ILE 85 Cb -0.11 -1.81 -0.05 0.00 2.95 0.00 0.00 42.46 43.44 2k87 s ILE 85 CO 0.53 -0.66 0.06 0.68 -1.79 0.00 0.00 174.94 173.77 2k87 s VAL 86 N -3.02 1.15 -0.18 8.37 -7.23 -0.44 -4.84 120.40 114.21 2k87 s VAL 86 Ca 0.16 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.25 2k87 s VAL 86 Cb 0.00 -2.66 -0.04 0.00 0.56 0.00 0.00 36.38 34.24 2k87 s VAL 86 CO 0.02 0.00 0.09 0.26 -0.31 0.00 0.00 175.10 175.17 2k87 s TRP 87 N -3.17 3.35 0.16 2.82 0.52 -1.26 -0.60 118.94 120.76 2k87 s TRP 87 Ca 0.30 0.23 0.08 0.00 0.02 0.00 0.00 56.10 56.74 2k87 s TRP 87 Cb 0.07 -2.08 -0.04 0.00 -1.15 0.00 0.00 33.47 30.27 2k87 s TRP 87 CO 0.14 0.29 -0.18 -3.38 0.02 0.00 0.00 176.95 173.85 2k87 s HIS 88 N 0.14 1.76 -0.18 -1.98 -3.43 -0.52 -4.90 115.29 106.19 2k87 s HIS 88 Ca 0.07 -0.48 -0.01 0.00 -0.80 0.00 0.00 55.06 53.84 2k87 s HIS 88 Cb -0.12 -0.89 0.05 0.00 -1.43 0.00 0.00 32.58 30.19 2k87 s HIS 88 CO -0.00 0.30 -0.03 0.42 -2.00 0.00 0.00 174.74 173.42 2k87 s ILE 89 N -2.03 1.03 -1.45 -5.38 1.01 -1.24 -2.44 121.20 110.69 2k87 s ILE 89 Ca 0.14 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.13 2k87 s ILE 89 Cb -0.06 -1.27 0.00 0.00 0.01 0.00 0.00 42.46 41.14 2k87 s ILE 89 CO 0.06 0.04 0.00 -0.46 0.00 0.00 0.00 174.94 174.58 2k87 n ASN 90 N 4.89 -4.31 -0.78 3.58 2.04 -1.26 -0.34 115.26 119.08 2k87 n ASN 90 Ca -0.11 0.24 -0.09 0.00 -0.44 0.00 0.00 54.58 54.18 2k87 n ASN 90 Cb 0.47 -3.77 -0.03 0.00 -2.53 0.00 0.00 39.78 33.92 2k87 n ASN 90 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2k87 n GLN 91 N -2.47 -0.65 -4.13 -3.83 6.02 -1.26 -5.05 117.38 106.01 2k87 n GLN 91 Ca -0.17 0.73 -0.26 0.00 -0.01 0.00 0.00 57.00 57.29 2k87 n GLN 91 Cb 0.57 -4.64 -0.05 0.00 1.02 0.00 0.00 30.24 27.14 2k87 n GLN 91 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2k87 s ALA 92 N -2.36 3.93 0.22 -1.58 0.00 0.54 -4.53 121.76 117.97 2k87 s ALA 92 Ca 0.00 -1.59 0.11 0.00 0.00 0.00 0.00 51.96 50.48 2k87 s ALA 92 Cb 0.00 -0.44 -0.05 0.00 0.00 0.00 0.00 23.12 22.63 2k87 s ALA 92 CO 0.00 -0.23 -0.19 -0.08 0.00 0.00 0.00 175.76 175.27 2k87 s THR 93 N -2.69 2.61 0.25 0.00 -1.32 -1.26 -3.69 115.64 109.55 2k87 s THR 93 Ca 0.34 -2.07 -0.21 0.00 -1.21 0.00 0.00 61.69 58.55 2k87 s THR 93 Cb 0.01 -2.30 0.03 0.00 -1.51 0.00 0.00 72.50 68.73 2k87 s THR 93 CO 0.19 -0.21 0.68 0.28 -2.21 0.00 0.00 174.62 173.35 2k87 s THR 94 N -1.96 0.00 0.31 5.08 -1.32 -1.26 -5.00 115.64 111.49 2k87 s THR 94 Ca 0.25 -0.84 0.06 0.00 -1.21 0.00 0.00 61.69 59.95 2k87 s THR 94 Cb -0.07 -1.82 0.30 0.00 -1.51 0.00 0.00 72.50 69.40 2k87 s THR 94 CO 0.13 -0.01 1.79 0.50 -2.21 0.00 0.00 174.62 174.82 2k87 h LYS 95 N 2.02 0.74 -0.72 7.08 3.64 -2.01 0.23 116.57 127.56 2k87 h LYS 95 Ca -0.22 -0.04 0.12 0.00 -1.27 0.00 0.00 60.65 59.24 2k87 h LYS 95 Cb 1.26 -0.17 -0.13 0.00 -0.41 0.00 0.00 32.23 32.78 2k87 h LYS 95 CO 0.27 0.49 -0.33 1.15 -2.27 0.00 0.00 179.45 178.76 2k87 h THR 96 N 0.76 0.14 0.00 1.00 2.02 -2.02 -2.94 112.91 111.87 2k87 h THR 96 Ca 0.57 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.75 2k87 h THR 96 Cb 0.88 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 2k87 h THR 96 CO -0.36 0.00 -1.17 0.35 0.37 0.00 0.00 175.52 174.71 2k87 n THR 97 N -5.46 0.00 0.39 3.16 -2.24 0.21 -4.37 114.28 105.96 2k87 n THR 97 Ca 0.07 -0.15 -0.17 0.00 -2.27 0.00 0.00 64.05 61.53 2k87 n THR 97 Cb 0.37 0.75 -0.08 0.00 -2.10 0.00 0.00 70.33 69.27 2k87 n THR 97 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2k87 h PHE 98 N 0.00 -0.93 -0.52 4.78 3.57 -0.52 -1.72 116.94 121.61 2k87 h PHE 98 Ca 0.00 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.58 2k87 h PHE 98 Cb 0.57 0.31 -0.10 0.00 2.79 0.00 0.00 35.95 39.52 2k87 h PHE 98 CO 0.00 -0.56 -0.20 0.87 -2.23 0.00 0.00 178.31 176.19 2k87 h LYS 99 N -1.19 -0.08 0.00 1.11 1.79 -1.72 -0.52 116.57 115.96 2k87 h LYS 99 Ca -0.10 0.01 -0.15 0.00 -2.18 0.00 0.00 60.65 58.22 2k87 h LYS 99 Cb 0.79 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.43 2k87 h LYS 99 CO 0.17 -0.05 -0.72 -1.00 -1.08 0.00 0.00 179.45 176.76 2k87 h PRO 100 N -0.08 0.00 -0.45 3.15 0.13 -1.77 -3.28 132.00 129.70 2k87 h PRO 100 Ca 0.24 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.36 2k87 h PRO 100 Cb 0.46 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.57 2k87 h PRO 100 CO -0.57 0.72 0.24 -0.91 -0.23 0.00 0.00 178.00 177.25 2k87 h ASN 101 N 0.00 0.54 -0.03 1.44 2.35 -0.14 -2.48 115.58 117.27 2k87 h ASN 101 Ca -0.01 -0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.69 2k87 h ASN 101 Cb 1.30 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 39.53 2k87 h ASN 101 CO 0.09 0.44 -0.02 0.71 -1.65 0.00 0.00 177.43 177.01 2k87 h THR 102 N 0.62 1.09 -0.59 2.81 1.35 -1.48 -0.09 112.91 116.60 2k87 h THR 102 Ca 0.16 -0.35 -0.05 0.00 -0.55 0.00 0.00 66.41 65.62 2k87 h THR 102 Cb 0.02 1.03 -0.03 0.00 -1.73 0.00 0.00 68.15 67.45 2k87 h THR 102 CO -0.03 0.11 0.16 -0.50 -0.25 0.00 0.00 175.52 175.01 2k87 h TRP 103 N 0.15 0.94 -0.20 4.73 4.06 -1.63 -0.86 115.95 123.13 2k87 h TRP 103 Ca 0.04 -0.09 -0.02 0.00 2.06 0.00 0.00 58.89 60.88 2k87 h TRP 103 Cb 0.14 -0.27 -0.01 0.00 -1.00 0.00 0.00 29.16 28.02 2k87 h TRP 103 CO 0.00 0.77 0.06 0.00 -3.56 0.00 0.00 178.44 175.72 2k87 h LEU 105 N 0.16 0.86 -1.15 0.00 3.38 -0.89 0.43 115.31 118.10 2k87 h LEU 105 Ca 0.07 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2k87 h LEU 105 Cb 0.23 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2k87 h LEU 105 CO -0.00 0.68 0.00 0.54 0.09 0.00 0.00 178.44 179.75 2k87 n ARG 106 N -4.38 0.14 0.04 1.13 1.74 -0.37 -1.26 116.66 113.71 2k87 n ARG 106 Ca 0.07 0.57 -0.06 0.00 -0.77 0.00 0.00 57.85 57.66 2k87 n ARG 106 Cb 0.09 -1.90 -0.11 0.00 -1.02 0.00 0.00 32.46 29.52 2k87 n ARG 106 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2k87 h LEU 108 N 0.00 0.22 -9.26 0.00 -0.00 -1.17 -3.44 115.31 101.67 2k87 h LEU 108 Ca -0.10 -0.15 -0.68 0.00 -0.00 0.00 0.00 57.88 56.94 2k87 h LEU 108 Cb 1.80 -0.07 0.05 0.00 -0.00 0.00 0.00 40.66 42.45 2k87 h LEU 108 CO 0.11 0.86 0.47 0.79 -0.00 0.00 0.00 178.44 180.67 2k87 n TRP 109 N -3.77 1.52 -2.59 1.13 7.02 -1.14 -4.93 117.44 114.68 2k87 n TRP 109 Ca -0.03 0.64 -0.39 0.00 -1.02 0.00 0.00 57.50 56.70 2k87 n TRP 109 Cb 0.69 -2.33 -0.05 0.00 -2.42 0.00 0.00 31.31 27.20 2k87 n TRP 109 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 2k87 s SER 110 N 0.62 7.29 -0.73 -0.99 0.15 -0.57 -4.36 113.70 115.11 2k87 s SER 110 Ca 0.85 2.10 -0.26 0.00 0.70 0.00 0.00 55.95 59.35 2k87 s SER 110 Cb -0.97 -2.61 -0.01 0.00 -1.71 0.00 0.00 66.02 60.72 2k87 s SER 110 CO 0.48 -0.11 1.75 0.42 1.20 0.00 0.00 173.24 176.98 2k87 s THR 111 N -1.29 3.48 -0.42 6.45 -4.23 -1.26 -0.35 115.64 118.01 2k87 s THR 111 Ca 0.46 0.03 0.02 0.00 -1.18 0.00 0.00 61.69 61.02 2k87 s THR 111 Cb -0.27 -4.21 0.14 0.00 1.34 0.00 0.00 72.50 69.49 2k87 s THR 111 CO 0.35 -1.16 0.25 -0.54 -0.54 0.00 0.00 174.62 172.97 2k87 s LYS 112 N 6.65 1.09 0.54 3.99 -0.14 -1.25 -4.98 119.74 125.63 2k87 s LYS 112 Ca 0.61 -1.87 -0.20 0.00 -1.36 0.00 0.00 55.97 53.15 2k87 s LYS 112 Cb -0.09 -2.01 -0.06 0.00 -1.68 0.00 0.00 37.83 33.99 2k87 s LYS 112 CO 0.12 -1.20 1.17 -1.25 -0.76 0.00 0.00 175.35 173.44 2k87 s PRO 113 N 0.47 3.33 -0.41 -1.68 0.04 -1.26 -4.88 135.00 130.61 2k87 s PRO 113 Ca 0.19 1.74 0.05 0.00 0.04 0.00 0.00 61.00 63.02 2k87 s PRO 113 Cb -0.21 -2.09 0.19 0.00 0.04 0.00 0.00 34.50 32.43 2k87 s PRO 113 CO -0.02 -0.90 0.38 1.55 0.04 0.00 0.00 177.00 178.06 2k87 n VAL 114 N -1.18 -1.11 -0.65 -0.36 3.14 -1.26 -4.84 118.33 112.07 2k87 n VAL 114 Ca 0.11 -3.55 0.00 0.00 -2.96 0.00 0.00 64.34 57.94 2k87 n VAL 114 Cb 0.50 -1.72 0.00 0.00 -1.06 0.00 0.00 33.84 31.56 2k87 n VAL 114 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 2k87 n ASP 115 N 2.53 0.00 0.00 6.55 2.03 -1.26 -5.34 116.55 121.05 2k87 n ASP 115 Ca 0.28 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.59 2k87 n ASP 115 Cb 0.49 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.89 2k87 n ASP 115 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69